==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=9-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 13-MAY-03 1PA1 . COMPND 2 MOLECULE: PROTEIN-TYROSINE PHOSPHATASE, NON-RECEPTOR TYPE . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR Y.ROMSICKI,G.SCAPIN,V.BEAULIEU-AUDY,S.B.PATEL,J.W.BECKER, . 302 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14045.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 218 72.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 14 4.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 40 13.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 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 . 2 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 . 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 . 29 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 31 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 90 29.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 2.6 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 0 0 0 0 1 1 0 2 1 1 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 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 0 0 PARALLEL BRIDGES PER LADDER . 0 2 1 0 0 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 0 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 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 0 160 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 175.3 -32.0 47.1 28.7 2 498 A L + 0 0 145 2,-0.0 2,-0.3 0, 0.0 0, 0.0 -0.769 360.0 166.0 -92.1 133.7 -31.2 48.6 25.3 3 499 A E - 0 0 178 -2,-0.4 2,-0.2 2,-0.0 0, 0.0 -0.891 23.9-146.2-151.7 115.8 -29.8 52.2 25.2 4 500 A F - 0 0 114 -2,-0.3 2,-0.2 1,-0.1 -2,-0.0 -0.576 21.9-123.0 -79.7 142.3 -28.1 53.9 22.2 5 501 A M >> - 0 0 35 -2,-0.2 4,-2.0 1,-0.1 3,-0.8 -0.528 26.5-113.9 -78.3 155.9 -25.3 56.3 22.9 6 502 A E H 3> S+ 0 0 113 1,-0.3 4,-2.4 2,-0.2 5,-0.2 0.909 119.6 54.2 -56.4 -40.1 -26.0 59.7 21.5 7 503 A M H 3> S+ 0 0 11 1,-0.2 4,-2.3 2,-0.2 -1,-0.3 0.788 104.8 54.1 -65.5 -27.5 -23.1 59.2 19.1 8 504 A E H <> S+ 0 0 63 -3,-0.8 4,-2.4 2,-0.2 -1,-0.2 0.886 108.4 48.9 -72.9 -39.9 -24.7 55.9 17.9 9 505 A K H X S+ 0 0 90 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.930 113.4 46.5 -66.1 -41.2 -27.9 57.8 17.1 10 506 A E H X S+ 0 0 52 -4,-2.4 4,-2.5 1,-0.2 5,-0.2 0.938 110.6 53.5 -65.4 -43.2 -26.0 60.5 15.2 11 507 A F H X S+ 0 0 23 -4,-2.3 4,-2.7 1,-0.2 -1,-0.2 0.928 109.7 47.7 -55.2 -47.7 -24.0 57.8 13.4 12 508 A E H X S+ 0 0 101 -4,-2.4 4,-3.0 1,-0.2 5,-0.2 0.893 109.8 52.1 -62.4 -40.5 -27.2 56.1 12.2 13 509 A Q H X S+ 0 0 132 -4,-2.1 4,-1.8 1,-0.2 -1,-0.2 0.912 113.8 44.0 -63.3 -41.7 -28.8 59.4 11.1 14 510 A I H X>S+ 0 0 7 -4,-2.5 5,-2.1 2,-0.2 4,-1.2 0.915 115.9 46.9 -68.6 -43.8 -25.7 60.2 9.0 15 511 A D H ><5S+ 0 0 62 -4,-2.7 3,-0.6 -5,-0.2 -2,-0.2 0.949 112.1 50.0 -63.0 -49.4 -25.4 56.7 7.6 16 512 A K H 3<5S+ 0 0 174 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.891 117.5 40.4 -57.2 -41.9 -29.1 56.4 6.7 17 513 A S H 3<5S- 0 0 78 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.603 104.4-130.2 -84.1 -12.7 -29.0 59.8 4.9 18 514 A G T <<5 + 0 0 61 -4,-1.2 3,-0.3 -3,-0.6 -3,-0.2 0.893 60.7 138.9 64.9 41.1 -25.6 59.2 3.3 19 515 A S >< + 0 0 33 -5,-2.1 4,-2.5 1,-0.2 5,-0.2 0.090 20.9 113.8-107.2 26.2 -24.3 62.5 4.5 20 516 A W H > S+ 0 0 21 -6,-0.3 4,-3.0 1,-0.2 5,-0.2 0.925 79.4 51.9 -61.1 -42.8 -20.8 61.7 5.5 21 517 A A H > S+ 0 0 63 -3,-0.3 4,-3.0 1,-0.2 -1,-0.2 0.931 112.2 45.3 -59.5 -45.2 -19.3 63.8 2.7 22 518 A A H > S+ 0 0 67 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.910 113.8 48.7 -64.7 -42.8 -21.3 66.8 3.7 23 519 A I H X S+ 0 0 42 -4,-2.5 4,-1.3 2,-0.2 -2,-0.2 0.933 114.9 46.5 -61.5 -46.1 -20.6 66.4 7.4 24 520 A Y H X S+ 0 0 8 -4,-3.0 4,-2.2 -5,-0.2 3,-0.3 0.920 110.0 51.5 -64.6 -45.0 -16.9 66.1 6.6 25 521 A Q H X S+ 0 0 92 -4,-3.0 4,-2.3 1,-0.2 -1,-0.2 0.837 105.2 57.3 -64.3 -28.2 -16.8 69.0 4.2 26 522 A D H X S+ 0 0 96 -4,-1.7 4,-2.0 2,-0.2 -1,-0.2 0.870 105.3 50.5 -68.6 -35.2 -18.4 71.2 6.8 27 523 A I H X S+ 0 0 3 -4,-1.3 4,-1.4 -3,-0.3 -2,-0.2 0.943 110.0 50.6 -66.7 -43.1 -15.6 70.4 9.3 28 524 A R H < S+ 0 0 123 -4,-2.2 3,-0.4 1,-0.2 -2,-0.2 0.918 110.3 50.3 -58.5 -41.7 -13.1 71.3 6.5 29 525 A H H < S+ 0 0 142 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.861 115.1 42.0 -64.9 -35.6 -14.9 74.6 6.0 30 526 A E H < S+ 0 0 113 -4,-2.0 -1,-0.2 -5,-0.1 -2,-0.2 0.567 89.1 121.1 -89.2 -8.8 -14.9 75.5 9.7 31 527 A A S < S- 0 0 25 -4,-1.4 224,-0.1 -3,-0.4 228,-0.1 -0.183 70.4 -95.2 -61.2 147.4 -11.4 74.4 10.4 32 528 A S - 0 0 38 223,-0.3 2,-0.4 229,-0.1 -1,-0.1 -0.171 28.9-157.1 -57.5 149.1 -8.8 76.8 11.7 33 529 A D + 0 0 149 229,-0.1 -1,-0.0 226,-0.0 226,-0.0 -0.988 23.3 161.6-131.9 115.1 -6.4 78.6 9.4 34 530 A F - 0 0 83 -2,-0.4 228,-0.1 2,-0.0 2,-0.1 -0.926 42.4 -87.4-130.5 158.2 -3.1 79.9 11.0 35 531 A P - 0 0 91 0, 0.0 22,-3.2 0, 0.0 23,-0.4 -0.350 23.8-170.2 -70.3 149.8 0.2 80.9 9.5 36 532 A C > + 0 0 20 20,-0.3 4,-1.3 21,-0.1 20,-0.1 -0.451 32.3 146.4-129.1 50.6 3.0 78.5 8.7 37 533 A R T 4 S+ 0 0 164 1,-0.2 4,-0.4 2,-0.2 3,-0.1 0.882 70.3 48.8 -59.0 -43.0 5.6 81.2 7.9 38 534 A V T >4 S+ 0 0 9 1,-0.2 3,-1.7 2,-0.2 -1,-0.2 0.940 107.6 54.9 -66.0 -44.1 8.6 79.2 9.2 39 535 A A T 34 S+ 0 0 1 16,-0.4 -1,-0.2 1,-0.3 -2,-0.2 0.817 109.4 50.3 -56.5 -31.2 7.6 76.1 7.3 40 536 A K T 3< S+ 0 0 123 -4,-1.3 -1,-0.3 -3,-0.1 -2,-0.2 0.420 77.8 120.5 -91.1 -0.9 7.6 78.2 4.1 41 537 A L S X S- 0 0 56 -3,-1.7 3,-2.2 -4,-0.4 4,-0.4 -0.365 73.8-119.7 -61.3 141.2 11.0 79.8 4.5 42 538 A P G > S+ 0 0 117 0, 0.0 3,-1.5 0, 0.0 4,-0.3 0.870 112.0 60.4 -50.5 -40.6 13.2 78.9 1.5 43 539 A K G 3 S+ 0 0 123 1,-0.3 3,-0.2 2,-0.1 -2,-0.1 0.669 104.4 51.2 -64.6 -15.9 15.7 77.2 3.7 44 540 A N G X S+ 0 0 0 -3,-2.2 3,-2.1 -6,-0.2 4,-0.4 0.413 76.2 100.7-102.6 1.7 13.1 74.8 4.9 45 541 A K G X S+ 0 0 162 -3,-1.5 3,-1.5 -4,-0.4 -1,-0.2 0.912 84.1 48.9 -53.1 -45.5 11.8 73.6 1.6 46 542 A N G 3 S+ 0 0 104 -4,-0.3 -1,-0.3 1,-0.3 48,-0.2 0.456 102.3 64.5 -78.4 3.8 13.8 70.4 1.7 47 543 A R G < S+ 0 0 30 -3,-2.1 2,-0.5 -8,-0.2 25,-0.5 0.415 90.1 79.5-100.2 -0.5 12.6 69.7 5.2 48 544 A N < - 0 0 24 -3,-1.5 3,-0.1 -4,-0.4 6,-0.1 -0.922 59.0-163.5-112.3 130.1 9.0 69.3 4.0 49 545 A R S S+ 0 0 48 -2,-0.5 2,-0.4 1,-0.2 -1,-0.1 0.882 83.4 30.1 -76.2 -37.7 7.7 66.1 2.4 50 546 A Y > - 0 0 71 3,-0.4 3,-1.4 1,-0.1 -1,-0.2 -0.984 68.0-145.1-126.9 131.2 4.6 67.8 0.9 51 547 A R T 3 S+ 0 0 179 -2,-0.4 -1,-0.1 1,-0.3 -2,-0.0 0.787 102.0 50.4 -65.8 -24.8 4.3 71.4 -0.1 52 548 A D T 3 S+ 0 0 106 1,-0.1 2,-0.5 -3,-0.0 -1,-0.3 0.281 98.4 71.0 -95.8 7.3 0.6 71.5 1.0 53 549 A V < + 0 0 16 -3,-1.4 -3,-0.4 2,-0.0 -4,-0.2 -0.928 61.3 151.0-127.7 108.1 1.1 70.0 4.5 54 550 A S - 0 0 3 -2,-0.5 208,-0.6 -6,-0.1 2,-0.3 -0.954 44.3-110.1-135.4 154.0 2.8 72.3 7.0 55 551 A P - 0 0 0 0, 0.0 -16,-0.4 0, 0.0 206,-0.1 -0.614 38.0-112.2 -81.7 141.9 2.8 72.9 10.7 56 552 A F >> - 0 0 1 204,-0.5 4,-0.9 -2,-0.3 3,-0.5 -0.416 23.9-123.5 -65.2 147.8 1.3 76.1 12.0 57 553 A D G >4 S+ 0 0 28 -22,-3.2 3,-0.6 1,-0.2 -1,-0.1 0.909 106.6 57.6 -61.4 -37.7 3.9 78.4 13.5 58 554 A H G 34 S+ 0 0 105 -23,-0.4 -1,-0.2 1,-0.2 -22,-0.1 0.805 118.2 28.2 -68.4 -24.4 2.0 78.6 16.9 59 555 A S G <4 S+ 0 0 10 -3,-0.5 16,-3.1 201,-0.1 -1,-0.2 0.299 88.8 126.3-118.6 8.8 2.1 74.9 17.5 60 556 A R E << -A 74 0A 27 -4,-0.9 2,-0.5 -3,-0.6 14,-0.3 -0.308 62.7-116.0 -70.9 148.9 5.2 73.7 15.7 61 557 A I E - 0 0 8 12,-2.0 10,-0.6 10,-0.3 2,-0.5 -0.735 28.3-146.7 -82.9 130.5 7.8 71.7 17.5 62 558 A K E -A 70 0A 105 -2,-0.5 2,-0.2 8,-0.1 8,-0.2 -0.868 8.4-132.6-101.6 130.3 11.1 73.6 17.7 63 559 A L - 0 0 4 6,-2.6 2,-1.2 -2,-0.5 39,-0.1 -0.544 26.9-117.2 -75.5 142.5 14.4 71.7 17.6 64 560 A H S S+ 0 0 128 -2,-0.2 2,-0.3 37,-0.1 -1,-0.1 -0.173 77.5 98.7 -79.9 46.1 16.8 72.9 20.4 65 561 A Q - 0 0 53 -2,-1.2 -2,-0.1 1,-0.1 0, 0.0 -0.933 68.1-135.5-131.7 156.0 19.6 74.2 18.2 66 562 A E S S+ 0 0 197 -2,-0.3 3,-0.2 2,-0.1 -1,-0.1 0.863 94.9 67.6 -73.7 -39.9 20.7 77.6 17.0 67 563 A D S S- 0 0 144 1,-0.2 2,-0.4 2,-0.1 -1,-0.1 0.946 124.2 -22.8 -46.6 -87.4 21.4 76.5 13.4 68 564 A N - 0 0 14 1,-0.1 -1,-0.2 2,-0.1 -2,-0.1 -0.976 54.7-169.2-134.0 123.1 17.9 75.7 12.1 69 565 A D + 0 0 46 -2,-0.4 -6,-2.6 -3,-0.2 2,-0.4 0.323 47.1 123.7 -91.4 11.0 15.1 74.8 14.6 70 566 A Y E +A 62 0A 0 -8,-0.2 2,-0.3 -32,-0.1 -8,-0.1 -0.572 21.9 152.2 -89.7 131.0 12.6 73.6 12.0 71 567 A I E - 0 0 6 -10,-0.6 2,-1.8 -2,-0.4 -10,-0.3 -0.985 50.3-114.8-141.0 144.5 10.9 70.2 11.7 72 568 A N E S+ 0 0 0 -25,-0.5 17,-1.6 -2,-0.3 2,-0.3 -0.640 76.1 114.1 -82.0 88.2 7.5 69.5 10.1 73 569 A A E - B 0 88A 0 -2,-1.8 -12,-2.0 15,-0.2 2,-0.4 -0.972 47.7-155.1-157.3 145.5 5.8 68.5 13.4 74 570 A S E -AB 60 87A 0 13,-2.5 13,-2.4 -2,-0.3 2,-0.7 -0.972 17.3-129.8-129.6 142.4 3.0 69.9 15.5 75 571 A L E - B 0 86A 47 -16,-3.1 2,-1.1 -2,-0.4 11,-0.2 -0.813 17.4-160.7 -92.6 112.4 2.1 69.6 19.2 76 572 A I E - B 0 85A 1 9,-3.2 9,-1.8 -2,-0.7 2,-0.9 -0.826 13.5-171.6 -91.0 99.3 -1.6 68.7 19.5 77 573 A K E - B 0 84A 124 -2,-1.1 2,-1.2 7,-0.2 7,-0.2 -0.811 8.2-163.2-101.9 102.8 -2.2 69.8 23.1 78 574 A M E >> - B 0 83A 9 5,-2.0 4,-1.6 -2,-0.9 5,-1.3 -0.721 7.0-175.0 -91.0 97.1 -5.6 68.6 24.2 79 575 A E T 45S+ 0 0 152 -2,-1.2 -1,-0.2 2,-0.2 3,-0.1 0.918 78.9 43.5 -58.6 -53.1 -6.3 70.7 27.3 80 576 A E T 45S+ 0 0 105 1,-0.2 -1,-0.2 2,-0.1 -2,-0.1 0.937 119.3 43.3 -62.6 -45.0 -9.6 69.2 28.4 81 577 A A T 45S- 0 0 3 2,-0.1 -1,-0.2 1,-0.0 -2,-0.2 0.719 100.7-137.4 -72.3 -22.0 -8.4 65.6 27.8 82 578 A Q T <5 + 0 0 130 -4,-1.6 2,-0.3 1,-0.2 -3,-0.2 0.885 64.4 111.2 63.9 41.2 -5.0 66.2 29.4 83 579 A R E < -B 78 0A 44 -5,-1.3 -5,-2.0 2,-0.0 2,-0.3 -0.991 48.3-159.5-141.1 145.4 -3.1 64.3 26.8 84 580 A S E -B 77 0A 36 -2,-0.3 131,-0.8 -7,-0.2 2,-0.3 -0.918 5.4-171.8-124.8 152.7 -0.7 65.6 24.1 85 581 A Y E -Bc 76 215A 0 -9,-1.8 -9,-3.2 -2,-0.3 2,-0.6 -0.976 19.1-139.3-137.9 149.8 0.5 64.2 20.9 86 582 A I E -Bc 75 216A 0 129,-3.0 131,-3.3 -2,-0.3 2,-0.5 -0.972 20.6-163.2-107.9 121.9 3.2 65.2 18.4 87 583 A L E +Bc 74 217A 1 -13,-2.4 -13,-2.5 -2,-0.6 2,-0.3 -0.923 20.1 162.5-106.4 130.7 2.0 64.7 14.8 88 584 A T E -Bc 73 218A 2 129,-2.2 131,-0.7 -2,-0.5 -15,-0.2 -0.911 38.4 -99.3-144.6 162.3 4.7 64.7 12.2 89 585 A Q - 0 0 6 -17,-1.6 132,-0.2 -2,-0.3 131,-0.2 -0.402 55.2 -85.0 -75.9 163.7 5.4 63.7 8.6 90 586 A G - 0 0 0 130,-2.8 -1,-0.1 34,-0.3 -41,-0.1 -0.554 63.6 -99.4 -65.2 131.6 7.3 60.5 7.9 91 587 A P - 0 0 2 0, 0.0 35,-2.7 0, 0.0 5,-0.1 -0.151 33.7-134.1 -57.0 147.3 11.0 61.6 8.1 92 588 A L >> - 0 0 24 33,-0.2 3,-1.8 -45,-0.1 4,-0.6 -0.511 33.1 -95.6 -93.9 167.2 12.9 62.4 4.9 93 589 A P T 34 S+ 0 0 117 0, 0.0 3,-0.2 0, 0.0 4,-0.2 0.804 127.9 41.9 -55.1 -27.8 16.4 61.1 4.2 94 590 A N T 34 S+ 0 0 71 -48,-0.2 4,-0.2 1,-0.2 -47,-0.0 0.413 112.8 53.0 -98.7 -0.7 17.8 64.4 5.5 95 591 A T T <> S+ 0 0 6 -3,-1.8 4,-2.4 2,-0.1 -1,-0.2 0.269 73.0 96.8-119.9 14.7 15.5 64.8 8.5 96 592 A C H X S+ 0 0 12 -4,-0.6 4,-2.1 -3,-0.2 5,-0.2 0.876 88.4 50.6 -69.5 -36.5 15.9 61.4 10.4 97 593 A G H > S+ 0 0 3 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.934 111.1 49.0 -63.9 -43.7 18.5 63.0 12.7 98 594 A H H > S+ 0 0 18 -4,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.901 108.4 55.1 -60.0 -42.0 16.0 65.9 13.3 99 595 A F H X S+ 0 0 1 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.944 111.6 41.4 -58.6 -49.7 13.2 63.4 14.0 100 596 A W H X S+ 0 0 0 -4,-2.1 4,-2.6 2,-0.2 -1,-0.2 0.828 111.0 57.3 -70.6 -27.3 15.2 61.5 16.7 101 597 A E H X S+ 0 0 16 -4,-2.2 4,-3.2 2,-0.2 5,-0.3 0.919 107.9 48.6 -65.5 -41.7 16.4 64.9 18.1 102 598 A M H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 6,-0.3 0.933 109.7 51.3 -63.2 -45.4 12.8 65.8 18.6 103 599 A V H X>S+ 0 0 0 -4,-2.2 5,-1.5 2,-0.2 4,-0.5 0.946 115.1 44.0 -56.6 -45.5 12.0 62.5 20.2 104 600 A W H ><5S+ 0 0 26 -4,-2.6 3,-1.3 1,-0.2 -2,-0.2 0.974 115.8 44.4 -62.0 -57.4 14.9 63.1 22.6 105 601 A E H 3<5S+ 0 0 38 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.815 115.6 47.4 -59.4 -35.6 14.2 66.7 23.4 106 602 A Q H 3<5S- 0 0 47 -4,-2.6 -1,-0.3 -5,-0.3 -2,-0.2 0.479 105.5-128.6 -87.6 -1.9 10.5 66.2 23.9 107 603 A K T <<5 + 0 0 120 -3,-1.3 106,-2.5 -4,-0.5 -3,-0.2 0.756 43.9 171.3 62.3 30.2 11.1 63.2 26.1 108 604 A S < - 0 0 0 -5,-1.5 -1,-0.2 -6,-0.3 107,-0.1 -0.364 23.6-169.1 -68.5 149.1 8.7 60.9 24.1 109 605 A R + 0 0 75 104,-0.5 67,-2.5 98,-0.4 2,-0.3 0.501 67.6 45.0-116.6 -10.7 8.7 57.3 25.0 110 606 A G E -d 176 0A 0 97,-0.3 106,-2.2 65,-0.2 2,-0.4 -0.981 55.6-163.1-134.5 151.3 6.7 56.0 22.1 111 607 A V E -de 177 216A 0 65,-2.4 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S S+ 0 0 4 -131,-0.2 -130,-2.8 -2,-0.2 -171,-0.1 0.940 137.4 7.8 -83.5 -67.3 3.3 59.9 5.3 221 717 A A S S- 0 0 11 -132,-0.2 -171,-0.1 -3,-0.1 -172,-0.1 0.682 98.7-126.4 -86.0 -19.7 2.0 63.5 5.7 222 718 A G S S+ 0 0 0 -133,-0.1 -133,-0.1 -149,-0.0 -5,-0.1 0.830 87.0 82.0 78.0 31.4 1.1 63.0 9.4 223 719 A I S S+ 0 0 7 40,-0.1 42,-2.2 41,-0.1 4,-0.4 0.613 82.6 42.7-133.8 -32.3 -2.5 64.2 9.1 224 720 A G S > S+ 0 0 5 40,-0.2 4,-2.2 41,-0.2 5,-0.1 0.979 125.8 19.6 -84.7 -74.8 -4.9 61.5 7.8 225 721 A R H > S+ 0 0 2 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.908 129.3 53.5 -61.3 -40.7 -4.2 58.1 9.4 226 722 A S H > S+ 0 0 0 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.889 108.1 49.4 -62.5 -40.2 -2.4 60.0 12.2 227 723 A G H > S+ 0 0 2 -4,-0.4 4,-2.7 2,-0.2 -1,-0.2 0.877 109.1 52.5 -65.4 -37.6 -5.4 62.2 12.8 228 724 A T H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 5,-0.3 0.937 108.8 50.2 -64.1 -47.4 -7.7 59.2 13.0 229 725 A F H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.946 115.5 41.5 -56.7 -49.4 -5.5 57.5 15.6 230 726 A C H X S+ 0 0 2 -4,-2.2 4,-3.0 2,-0.2 5,-0.3 0.905 112.0 53.8 -72.5 -36.2 -5.4 60.6 17.8 231 727 A L H X S+ 0 0 0 -4,-2.7 4,-2.5 2,-0.2 5,-0.2 0.953 112.1 45.1 -60.6 -45.0 -9.1 61.6 17.4 232 728 A A H X S+ 0 0 0 -4,-2.5 4,-2.2 -5,-0.2 5,-0.2 0.940 114.9 48.3 -65.2 -43.7 -10.2 58.1 18.5 233 729 A D H X S+ 0 0 0 -4,-2.3 4,-2.4 -5,-0.3 -2,-0.2 0.926 113.4 46.0 -62.0 -45.1 -7.7 58.0 21.4 234 730 A T H X S+ 0 0 0 -4,-3.0 4,-2.8 2,-0.2 5,-0.2 0.913 112.1 51.0 -65.9 -41.4 -8.7 61.5 22.7 235 731 A C H X S+ 0 0 0 -4,-2.5 4,-2.2 -5,-0.3 -1,-0.2 0.900 112.2 46.9 -62.6 -40.0 -12.4 60.8 22.4 236 732 A L H X S+ 0 0 0 -4,-2.2 4,-2.2 -5,-0.2 -1,-0.2 0.899 112.3 50.6 -69.2 -38.5 -12.1 57.5 24.3 237 733 A L H X S+ 0 0 23 -4,-2.4 4,-2.9 2,-0.2 -2,-0.2 0.914 110.2 49.2 -65.0 -42.4 -9.9 59.3 27.0 238 734 A L H X S+ 0 0 6 -4,-2.8 4,-1.9 2,-0.2 5,-0.2 0.938 112.1 48.6 -61.3 -44.2 -12.5 62.1 27.4 239 735 A M H X>S+ 0 0 0 -4,-2.2 4,-1.6 -5,-0.2 5,-1.3 0.898 112.9 49.8 -61.0 -39.4 -15.3 59.5 27.7 240 736 A D H <5S+ 0 0 45 -4,-2.2 -2,-0.2 2,-0.2 -1,-0.2 0.916 107.6 51.3 -68.0 -44.9 -13.1 57.7 30.3 241 737 A K H <5S+ 0 0 127 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.884 123.8 30.4 -62.1 -37.6 -12.3 60.7 32.4 242 738 A R H <5S- 0 0 88 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.582 94.6-139.1 -95.0 -11.5 -16.0 61.5 32.6 243 739 A K T <5S+ 0 0 115 -4,-1.6 -3,-0.2 -5,-0.2 -4,-0.1 0.910 72.8 108.6 47.2 48.2 -17.3 57.9 32.4 244 740 A D > < - 0 0 63 -5,-1.3 3,-1.5 -6,-0.2 -1,-0.1 -0.775 55.7-165.3-156.4 100.9 -20.0 59.4 30.2 245 741 A P G > S+ 0 0 22 0, 0.0 3,-1.7 0, 0.0 -1,-0.1 0.824 88.4 66.6 -58.0 -30.7 -20.2 58.9 26.4 246 742 A S G 3 S+ 0 0 74 1,-0.3 -7,-0.0 -7,-0.1 -241,-0.0 0.691 88.2 65.0 -67.2 -17.6 -22.6 61.8 26.0 247 743 A S G < S+ 0 0 35 -3,-1.5 2,-0.6 -8,-0.1 -1,-0.3 0.369 86.4 94.3 -84.5 7.2 -20.1 64.4 27.1 248 744 A V < - 0 0 14 -3,-1.7 2,-0.8 -4,-0.1 -241,-0.1 -0.889 49.3-179.3-109.7 116.3 -18.1 63.4 23.9 249 745 A D > - 0 0 79 -2,-0.6 4,-2.4 1,-0.2 5,-0.2 -0.875 8.7-167.9-111.0 92.9 -18.7 65.5 20.7 250 746 A I H > S+ 0 0 4 -2,-0.8 4,-2.3 1,-0.2 -1,-0.2 0.878 85.2 48.2 -51.9 -47.1 -16.5 63.9 18.1 251 747 A K H > S+ 0 0 49 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.893 111.7 50.7 -64.0 -39.3 -16.7 66.6 15.5 252 748 A K H > S+ 0 0 121 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.902 109.7 50.4 -62.9 -41.5 -16.0 69.3 18.2 253 749 A V H X S+ 0 0 11 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.909 109.5 51.6 -64.5 -40.7 -12.9 67.3 19.3 254 750 A L H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.921 109.2 49.4 -62.8 -43.3 -11.7 67.1 15.7 255 751 A L H < S+ 0 0 49 -4,-2.3 4,-0.4 2,-0.2 -223,-0.3 0.886 109.6 52.4 -63.6 -34.3 -12.1 70.8 15.2 256 752 A E H >< S+ 0 0 61 -4,-2.1 3,-1.5 1,-0.2 4,-0.4 0.945 109.7 48.7 -65.3 -45.7 -10.2 71.4 18.4 257 753 A M H >X S+ 0 0 2 -4,-2.6 3,-1.9 1,-0.3 4,-1.0 0.879 103.3 61.9 -61.9 -35.9 -7.3 69.2 17.2 258 754 A R T 3< S+ 0 0 12 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.600 87.5 72.5 -67.8 -7.6 -7.3 71.1 13.8 259 755 A K T <4 S+ 0 0 87 -3,-1.5 -1,-0.3 -4,-0.4 -2,-0.2 0.772 105.3 39.6 -72.9 -20.5 -6.4 74.2 15.8 260 756 A F T <4 S+ 0 0 34 -3,-1.9 -204,-0.5 -4,-0.4 2,-0.3 0.708 128.2 13.5-104.3 -24.0 -2.9 72.6 16.2 261 757 A R S >< S- 0 0 0 -4,-1.0 3,-0.7 -206,-0.1 -1,-0.3 -0.959 80.0-113.0-153.3 138.2 -2.3 70.9 12.8 262 758 A M T 3 S+ 0 0 51 -208,-0.6 -3,-0.1 -2,-0.3 -229,-0.1 -0.278 86.0 11.4 -69.9 151.2 -4.0 71.3 9.4 263 759 A G T 3 + 0 0 13 1,-0.2 -1,-0.2 -5,-0.1 2,-0.2 0.567 68.5 176.9 64.7 18.8 -6.1 68.6 7.7 264 760 A L < + 0 0 2 -3,-0.7 -40,-0.2 -10,-0.1 -1,-0.2 -0.383 67.3 24.1 -61.1 126.0 -6.4 66.1 10.4 265 761 A I S S- 0 0 0 -42,-2.2 -41,-0.2 -2,-0.2 -40,-0.1 0.748 75.4-156.9 78.4 110.8 -8.6 63.2 9.0 266 762 A Q + 0 0 59 -79,-0.1 2,-0.3 1,-0.0 -42,-0.1 0.552 63.4 35.2 -97.8 -10.1 -8.3 63.3 5.2 267 763 A T S > S- 0 0 32 -43,-0.1 4,-1.5 -80,-0.1 3,-0.2 -0.964 74.9-118.2-141.7 159.5 -11.5 61.6 4.0 268 764 A A H > S+ 0 0 23 -2,-0.3 4,-2.5 1,-0.2 5,-0.1 0.845 115.9 56.7 -64.8 -32.8 -15.1 61.3 5.0 269 765 A D H > S+ 0 0 82 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.831 102.4 54.2 -70.6 -30.6 -14.6 57.6 5.5 270 766 A Q H > S+ 0 0 2 -3,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.874 109.5 48.8 -67.7 -34.1 -11.8 58.2 8.0 271 767 A L H X S+ 0 0 0 -4,-1.5 4,-1.9 2,-0.2 -2,-0.2 0.942 112.0 48.3 -68.0 -45.1 -14.2 60.4 9.9 272 768 A R H X S+ 0 0 66 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.928 111.4 50.4 -58.9 -43.9 -16.9 57.6 9.7 273 769 A F H X S+ 0 0 10 -4,-2.8 4,-2.9 1,-0.2 -1,-0.2 0.886 104.7 57.6 -62.5 -39.9 -14.3 55.1 10.9 274 770 A S H X S+ 0 0 0 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.910 106.7 49.1 -57.8 -42.5 -13.3 57.3 13.8 275 771 A Y H X S+ 0 0 0 -4,-1.9 4,-2.9 2,-0.2 5,-0.2 0.942 111.0 49.8 -60.3 -48.3 -17.0 57.2 14.9 276 772 A L H X S+ 0 0 48 -4,-2.2 4,-2.3 1,-0.2 5,-0.2 0.911 111.4 49.1 -57.1 -43.8 -17.0 53.4 14.6 277 773 A A H X S+ 0 0 0 -4,-2.9 4,-2.6 2,-0.2 -1,-0.2 0.897 113.7 45.1 -63.5 -43.4 -13.8 53.1 16.6 278 774 A V H X S+ 0 0 0 -4,-2.4 4,-1.7 -5,-0.2 -2,-0.2 0.917 112.6 50.9 -68.3 -41.6 -15.0 55.3 19.4 279 775 A I H < S+ 0 0 22 -4,-2.9 4,-0.5 -5,-0.2 -2,-0.2 0.917 116.2 41.0 -62.1 -43.8 -18.4 53.6 19.6 280 776 A E H >X S+ 0 0 46 -4,-2.3 3,-1.3 -5,-0.2 4,-0.5 0.917 113.2 53.7 -71.0 -41.1 -16.8 50.1 19.8 281 777 A G H >X S+ 0 0 0 -4,-2.6 4,-1.9 1,-0.3 3,-0.9 0.797 93.4 72.7 -63.2 -27.4 -14.1 51.3 22.2 282 778 A A H 3X S+ 0 0 3 -4,-1.7 4,-2.7 1,-0.3 -1,-0.3 0.814 85.4 67.2 -58.5 -29.7 -16.8 52.7 24.5 283 779 A K H <4>S+ 0 0 98 -3,-1.3 5,-2.5 -4,-0.5 -1,-0.3 0.920 106.3 39.3 -57.8 -43.3 -17.7 49.2 25.5 284 780 A F H X<5S+ 0 0 57 -3,-0.9 3,-2.0 -4,-0.5 -2,-0.2 0.932 113.1 54.4 -71.7 -47.7 -14.3 48.7 27.2 285 781 A I H 3<5S+ 0 0 8 -4,-1.9 -2,-0.2 1,-0.3 -1,-0.2 0.911 108.4 50.8 -52.2 -43.8 -14.2 52.3 28.7 286 782 A M T 3<5S- 0 0 91 -4,-2.7 -1,-0.3 -5,-0.2 -2,-0.2 0.203 132.6 -80.4 -85.4 15.9 -17.6 51.7 30.4 287 783 A G T < 5S+ 0 0 62 -3,-2.0 2,-1.2 1,-0.1 -3,-0.2 0.498 90.6 119.8 108.8 1.9 -16.7 48.4 32.0 288 784 A D > < + 0 0 68 -5,-2.5 3,-1.4 -6,-0.2 4,-0.3 -0.663 30.6 170.0 -97.4 77.7 -16.9 45.5 29.6 289 785 A S T > + 0 0 85 -2,-1.2 3,-1.7 1,-0.2 4,-0.5 0.801 64.5 72.6 -58.7 -30.5 -13.3 44.5 29.9 290 786 A S T >> S+ 0 0 60 1,-0.3 4,-1.3 -3,-0.2 3,-0.7 0.719 79.7 74.9 -57.9 -25.2 -13.9 41.2 28.0 291 787 A V H <> S+ 0 0 1 -3,-1.4 4,-2.5 1,-0.2 -1,-0.3 0.794 84.6 64.9 -61.0 -27.5 -14.2 43.1 24.7 292 788 A Q H <> S+ 0 0 40 -3,-1.7 4,-2.0 -4,-0.3 -1,-0.2 0.905 102.1 47.9 -62.8 -39.6 -10.5 43.7 24.5 293 789 A D H <> S+ 0 0 111 -3,-0.7 4,-1.9 -4,-0.5 -1,-0.2 0.854 109.5 54.7 -67.7 -33.5 -9.9 39.9 24.2 294 790 A Q H X S+ 0 0 100 -4,-1.3 4,-2.7 1,-0.2 5,-0.2 0.914 106.9 49.7 -66.5 -41.7 -12.6 39.9 21.5 295 791 A W H X S+ 0 0 2 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.913 107.1 55.0 -63.9 -40.9 -10.7 42.5 19.5 296 792 A K H X>S+ 0 0 87 -4,-2.0 5,-0.9 1,-0.2 4,-0.6 0.924 112.1 43.7 -58.0 -43.5 -7.5 40.6 19.8 297 793 A E H ><5S+ 0 0 130 -4,-1.9 3,-1.2 1,-0.2 -2,-0.2 0.945 114.9 47.1 -67.5 -47.6 -9.2 37.5 18.3 298 794 A L H 3<5S+ 0 0 106 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.745 104.0 62.9 -65.7 -24.0 -11.0 39.4 15.5 299 795 A S H 3<5S- 0 0 9 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.722 93.8-146.8 -74.2 -19.2 -7.8 41.3 14.6 300 796 A H T <<5 + 0 0 130 -3,-1.2 -3,-0.1 -4,-0.6 -2,-0.1 0.859 42.7 153.0 54.8 40.2 -6.2 38.0 13.7 301 797 A E < 0 0 9 -5,-0.9 -146,-2.5 1,-0.1 -144,-0.2 0.774 360.0 360.0 -68.2 -25.8 -2.9 39.3 14.9 302 798 A D 0 0 151 -6,-0.3 -1,-0.1 -148,-0.2 -5,-0.1 0.573 360.0 360.0-128.5 360.0 -1.9 35.7 15.6