==== 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 TRANSFERASE 18-AUG-05 2AQX . COMPND 2 MOLECULE: PREDICTED: INOSITOL 1,4,5-TRISPHOSPHATE 3-KINASE . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR P.P.CHAMBERLAIN,M.L.SANDBERG,K.SAUER,M.P.COOKE,S.A.LESLEY,G. . 576 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28199.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 385 66.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 107 18.6 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 . 6 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 36 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 59 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 158 27.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.0 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 3 0 2 1 2 1 3 1 2 0 0 0 1 1 1 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 2 2 3 1 4 6 0 0 1 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 . 3 0 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 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 1 650 A M >> 0 0 135 0, 0.0 3,-1.9 0, 0.0 4,-1.0 0.000 360.0 360.0 360.0 171.0 8.3 43.1 61.5 2 651 A V T 34 + 0 0 140 1,-0.3 0, 0.0 2,-0.2 0, 0.0 0.534 360.0 85.0 -62.2 -4.6 10.5 45.9 62.9 3 652 A Q T 34 S+ 0 0 125 1,-0.1 -1,-0.3 3,-0.0 455,-0.0 0.707 108.8 8.1 -69.0 -25.0 12.8 43.1 64.1 4 653 A W T <4 S+ 0 0 33 -3,-1.9 304,-2.8 1,-0.2 -2,-0.2 0.453 111.2 75.7-140.4 -7.0 14.7 42.9 60.7 5 654 A S < + 0 0 27 -4,-1.0 -1,-0.2 302,-0.2 302,-0.2 -0.855 39.1 173.4-123.8 100.6 13.7 45.7 58.4 6 655 A P S S- 0 0 68 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.753 73.6 -7.2 -69.5 -31.3 15.2 49.2 59.1 7 656 A F S S- 0 0 34 299,-0.2 299,-2.8 310,-0.1 2,-0.3 -0.961 70.9-101.5-154.8 170.2 13.7 50.6 55.8 8 657 A V E -A 305 0A 81 -2,-0.3 2,-0.3 297,-0.3 310,-0.1 -0.767 30.4-149.6 -92.7 143.3 12.0 49.8 52.5 9 658 A M E -A 304 0A 1 295,-3.7 295,-2.7 -2,-0.3 2,-0.3 -0.827 11.3-161.0-110.5 153.4 14.0 49.6 49.3 10 659 A S E -A 303 0A 33 309,-0.4 312,-0.6 -2,-0.3 2,-0.3 -0.946 8.9-177.2-135.0 155.8 12.6 50.5 46.0 11 660 A F E -A 302 0A 68 291,-2.3 291,-2.4 -2,-0.3 2,-0.5 -0.979 30.7-109.2-145.9 154.5 13.5 49.7 42.3 12 661 A K E -A 301 0A 125 -2,-0.3 2,-0.5 289,-0.2 289,-0.3 -0.763 24.1-147.2 -85.4 129.3 12.2 50.7 38.9 13 662 A K E -A 300 0A 28 287,-4.1 287,-1.9 -2,-0.5 2,-0.4 -0.880 22.1-167.7 -88.8 128.8 10.5 47.8 37.0 14 663 A K E +A 299 0A 132 -2,-0.5 285,-0.2 285,-0.2 -2,-0.0 -0.977 15.9 152.6-124.0 127.9 11.2 48.4 33.3 15 664 A Y E -A 298 0A 18 283,-2.9 283,-3.8 -2,-0.4 2,-0.3 -0.988 43.9-110.5-152.2 144.2 9.6 46.7 30.4 16 665 A P E -A 297 0A 60 0, 0.0 281,-0.2 0, 0.0 2,-0.1 -0.541 39.9-126.6 -63.7 128.0 8.7 47.2 26.8 17 666 A W - 0 0 22 279,-2.5 2,-0.5 -2,-0.3 279,-0.2 -0.444 20.1-131.5 -69.9 155.6 5.0 47.5 26.3 18 667 A I - 0 0 13 276,-0.2 2,-0.6 -2,-0.1 276,-0.2 -0.951 20.5-176.2-120.5 120.4 3.3 45.2 23.8 19 668 A Q + 0 0 20 274,-2.2 3,-0.0 -2,-0.5 8,-0.0 -0.943 8.8 168.9-112.1 105.7 0.8 46.3 21.1 20 669 A L + 0 0 13 -2,-0.6 -1,-0.2 142,-0.1 143,-0.1 0.971 67.5 12.6 -76.3 -65.5 -0.6 43.4 19.1 21 670 A A S S+ 0 0 35 141,-0.1 141,-0.0 2,-0.0 140,-0.0 -0.138 94.0 65.1 -95.7-165.8 -3.5 45.0 17.1 22 671 A G S S- 0 0 57 -2,-0.1 2,-0.2 3,-0.0 3,-0.1 0.089 79.2 -67.8 81.5 168.5 -4.3 48.8 16.5 23 672 A H > - 0 0 155 1,-0.1 3,-1.3 2,-0.0 4,-0.2 -0.567 55.7 -84.6 -94.4 162.9 -2.6 51.6 14.7 24 673 A A T 3 S+ 0 0 97 1,-0.2 -1,-0.1 -2,-0.2 -2,-0.0 -0.389 115.3 23.5 -59.5 137.8 0.7 53.4 15.5 25 674 A G T 3 S+ 0 0 35 2,-0.2 -1,-0.2 -2,-0.1 3,-0.1 0.688 85.5 114.2 75.9 20.1 0.1 56.3 18.0 26 675 A S S < S+ 0 0 21 -3,-1.3 12,-2.8 1,-0.1 2,-0.3 0.632 78.3 39.3 -88.7 -17.7 -3.0 54.8 19.4 27 676 A F E -B 37 0B 28 10,-0.2 2,-0.3 -4,-0.2 -2,-0.2 -0.975 62.3-174.4-136.7 149.8 -1.3 54.3 22.8 28 677 A K E -B 36 0B 95 8,-2.2 8,-2.5 -2,-0.3 2,-0.1 -0.962 32.9 -97.8-136.7 153.7 1.2 56.1 25.1 29 678 A A E -B 35 0B 46 -2,-0.3 2,-0.3 6,-0.2 6,-0.2 -0.410 39.1-178.1 -59.5 138.1 3.1 55.4 28.2 30 679 A A - 0 0 21 4,-1.7 3,-0.4 -2,-0.1 269,-0.3 -0.887 27.6 -96.6-130.5 173.6 1.7 56.6 31.5 31 680 A A S > S+ 0 0 64 -2,-0.3 3,-1.0 1,-0.2 269,-0.1 -0.356 93.2 30.4 -82.2 164.2 3.0 56.5 35.1 32 681 A N T 3 S- 0 0 134 267,-0.3 -1,-0.2 1,-0.3 268,-0.1 0.776 134.1 -53.1 70.0 32.1 2.1 54.0 37.9 33 682 A G T 3 S+ 0 0 7 -3,-0.4 45,-3.5 266,-0.4 -1,-0.3 0.718 108.6 128.5 72.7 19.4 1.4 51.0 35.6 34 683 A R E < - C 0 77B 74 -3,-1.0 -4,-1.7 43,-0.3 2,-0.3 -0.712 40.0-162.4-108.2 164.7 -1.1 53.0 33.5 35 684 A I E -BC 29 76B 3 41,-3.2 41,-3.0 -2,-0.2 2,-0.4 -0.920 13.9-133.5-142.4 148.8 -1.4 53.6 29.8 36 685 A L E -BC 28 75B 6 -8,-2.5 -8,-2.2 -2,-0.3 2,-0.4 -0.939 16.5-165.0-108.5 139.4 -3.2 56.2 27.6 37 686 A K E -BC 27 74B 29 37,-2.4 37,-3.2 -2,-0.4 -10,-0.2 -0.967 38.3 -92.8-122.2 141.5 -5.3 55.1 24.6 38 687 A K E - C 0 73B 81 -12,-2.8 35,-0.3 -2,-0.4 -12,-0.1 -0.240 57.4 -94.3 -60.4 138.1 -6.3 57.6 21.9 39 688 A H + 0 0 39 33,-3.1 2,-0.4 27,-0.1 -1,-0.1 -0.258 44.7 176.7 -65.6 139.6 -9.8 58.9 22.8 40 689 A C > - 0 0 39 -3,-0.1 4,-2.0 1,-0.1 5,-0.2 -0.995 25.1-141.8-138.2 137.0 -12.8 57.4 21.4 41 690 A E H > S+ 0 0 79 -2,-0.4 4,-2.0 2,-0.2 5,-0.1 0.929 100.5 41.8 -73.3 -43.8 -16.4 58.5 22.3 42 691 A S H > S+ 0 0 37 204,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.836 113.2 55.2 -74.7 -26.6 -18.2 55.2 22.4 43 692 A E H > S+ 0 0 3 2,-0.2 4,-3.0 203,-0.2 -2,-0.2 0.941 109.1 46.9 -65.1 -45.5 -15.2 53.5 24.1 44 693 A Q H X S+ 0 0 28 -4,-2.0 4,-2.5 1,-0.2 5,-0.2 0.916 111.4 51.3 -60.3 -45.2 -15.3 56.1 26.9 45 694 A R H X S+ 0 0 149 -4,-2.0 4,-1.3 2,-0.2 -1,-0.2 0.857 112.4 48.1 -58.5 -38.0 -19.1 55.7 27.2 46 695 A C H X S+ 0 0 3 -4,-1.8 4,-2.7 2,-0.2 -2,-0.2 0.961 110.6 49.3 -65.4 -51.7 -18.5 51.9 27.4 47 696 A L H X S+ 0 0 7 -4,-3.0 4,-2.2 1,-0.2 -2,-0.2 0.858 108.6 51.7 -60.5 -46.5 -15.7 52.2 30.1 48 697 A D H < S+ 0 0 80 -4,-2.5 4,-0.5 2,-0.2 -1,-0.2 0.909 113.4 46.0 -49.3 -49.5 -17.7 54.4 32.4 49 698 A R H >< S+ 0 0 121 -4,-1.3 3,-0.9 -5,-0.2 -2,-0.2 0.899 113.1 49.6 -68.0 -39.8 -20.6 52.0 32.2 50 699 A L H >< S+ 0 0 0 -4,-2.7 3,-1.2 1,-0.3 -1,-0.2 0.747 101.5 61.7 -69.2 -28.2 -18.3 49.1 32.8 51 700 A M T 3< S+ 0 0 30 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.696 110.1 44.5 -68.1 -12.9 -16.7 50.8 35.8 52 701 A A T < S+ 0 0 88 -3,-0.9 2,-0.3 -4,-0.5 -1,-0.3 -0.124 104.7 78.7-120.2 35.5 -20.2 50.6 37.2 53 702 A D S X S- 0 0 24 -3,-1.2 3,-1.9 1,-0.1 162,-0.1 -0.902 89.3-105.2-140.3 161.3 -21.1 47.0 36.3 54 703 A V T 3 S+ 0 0 65 -2,-0.3 4,-0.1 1,-0.3 161,-0.1 0.795 115.9 68.8 -54.4 -28.5 -20.3 43.5 37.5 55 704 A L T > + 0 0 0 1,-0.2 3,-2.5 2,-0.1 -1,-0.3 0.611 70.0 102.1 -71.1 -10.5 -18.0 43.1 34.6 56 705 A R G X S+ 0 0 145 -3,-1.9 3,-1.8 1,-0.3 -1,-0.2 0.834 72.4 55.9 -41.4 -51.7 -15.6 45.7 36.2 57 706 A P G 3 S+ 0 0 84 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.559 105.5 54.2 -68.6 -3.1 -13.0 43.2 37.5 58 707 A F G < S+ 0 0 22 -3,-2.5 184,-3.2 -4,-0.1 -2,-0.2 0.183 101.0 63.0-113.3 14.2 -12.5 41.7 34.1 59 708 A V S < S- 0 0 6 -3,-1.8 184,-0.1 182,-0.2 3,-0.1 -0.935 100.1 -82.5-130.8 156.4 -11.7 44.9 32.1 60 709 A P - 0 0 3 0, 0.0 -2,-0.1 0, 0.0 18,-0.0 -0.387 56.8-100.6 -58.9 132.2 -8.7 47.3 32.5 61 710 A A - 0 0 29 -4,-0.1 16,-1.6 1,-0.1 2,-0.5 -0.331 38.8-140.3 -54.3 130.5 -9.5 49.8 35.3 62 711 A Y E +D 76 0B 24 14,-0.2 14,-0.2 -15,-0.2 3,-0.1 -0.870 23.7 179.4-101.3 135.2 -10.6 53.0 33.7 63 712 A H E - 0 0 65 12,-2.4 13,-0.1 1,-0.5 2,-0.1 0.146 47.0-103.2-121.6 16.7 -9.4 56.2 35.2 64 713 A G E - 0 0 21 11,-0.4 11,-3.5 -20,-0.1 -1,-0.5 -0.367 48.6 -55.6 88.8-170.2 -11.0 58.8 32.9 65 714 A D E -D 74 0B 69 9,-0.2 2,-0.3 -2,-0.1 9,-0.2 -0.563 39.6-169.5-115.8 169.0 -9.6 60.8 30.1 66 715 A V E -D 73 0B 56 7,-2.1 7,-3.2 -2,-0.2 2,-0.6 -0.980 19.8-131.8-160.1 140.2 -6.8 63.3 29.6 67 716 A V E +D 72 0B 110 -2,-0.3 2,-0.4 5,-0.3 5,-0.2 -0.903 30.9 171.1 -96.9 117.2 -5.5 65.8 27.0 68 717 A K E > -D 71 0B 115 3,-2.6 3,-1.7 -2,-0.6 -2,-0.1 -0.998 62.1 -20.0-123.0 136.1 -1.8 65.6 26.2 69 718 A D T 3 S- 0 0 161 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.856 130.0 -38.7 44.4 61.4 0.1 67.4 23.5 70 719 A G T 3 S+ 0 0 79 1,-0.1 2,-0.3 -3,-0.1 -1,-0.3 0.507 121.5 95.8 71.4 10.7 -2.9 68.2 21.2 71 720 A E E < - D 0 68B 85 -3,-1.7 -3,-2.6 -33,-0.0 2,-0.4 -0.971 64.2-133.7-139.3 149.0 -4.6 64.8 21.8 72 721 A R E - D 0 67B 109 -2,-0.3 -33,-3.1 -5,-0.2 2,-0.3 -0.805 28.2-172.3-101.0 136.8 -7.4 63.3 24.0 73 722 A Y E -CD 38 66B 11 -7,-3.2 -7,-2.1 -2,-0.4 2,-0.5 -0.961 27.5-134.5-131.6 147.4 -6.8 60.0 25.7 74 723 A N E -CD 37 65B 2 -37,-3.2 -37,-2.4 -2,-0.3 2,-0.4 -0.888 32.9-139.9 -90.0 125.6 -8.7 57.4 27.8 75 724 A Q E +C 36 0B 44 -11,-3.5 -12,-2.4 -2,-0.5 -11,-0.4 -0.757 32.9 160.3 -92.7 134.0 -6.5 56.5 30.7 76 725 A M E -CD 35 62B 24 -41,-3.0 -41,-3.2 -2,-0.4 -14,-0.2 -0.957 40.7 -84.9-152.9 162.9 -6.3 52.8 31.7 77 726 A D E -C 34 0B 58 -16,-1.6 2,-1.0 -2,-0.3 -43,-0.3 -0.413 38.2-122.1 -71.0 143.8 -4.4 50.1 33.6 78 727 A D > - 0 0 7 -45,-3.5 3,-2.9 1,-0.1 4,-0.2 -0.780 17.5-157.0 -86.6 107.5 -1.6 48.4 31.8 79 728 A L T 3 S+ 0 0 21 -2,-1.0 3,-0.2 1,-0.3 -1,-0.1 0.563 91.0 62.2 -60.5 -7.6 -2.6 44.7 32.0 80 729 A L T > S+ 0 0 6 1,-0.1 3,-1.9 2,-0.1 -1,-0.3 0.609 75.2 104.0 -87.8 -16.3 1.0 43.8 31.6 81 730 A A T < S+ 0 0 19 -3,-2.9 -1,-0.1 1,-0.3 -2,-0.1 0.799 83.8 31.5 -45.2 -52.4 2.1 45.6 34.8 82 731 A D T 3 S+ 0 0 96 -4,-0.2 2,-0.3 -3,-0.2 -1,-0.3 0.197 95.1 100.5-106.9 29.0 2.6 42.7 37.2 83 732 A F < - 0 0 4 -3,-1.9 2,-0.7 149,-0.1 155,-0.0 -0.725 68.1-129.2 -95.4 154.2 3.8 39.9 34.9 84 733 A D S S- 0 0 64 -2,-0.3 150,-0.9 1,-0.2 151,-0.3 -0.911 88.0 -20.8-104.2 109.7 7.4 38.8 34.4 85 734 A S S S- 0 0 90 -2,-0.7 149,-0.3 148,-0.1 -1,-0.2 0.991 92.3-144.0 54.7 67.3 8.2 38.8 30.7 86 735 A P - 0 0 14 0, 0.0 2,-0.4 0, 0.0 147,-0.2 -0.240 14.3-151.4 -66.9 144.3 4.6 38.5 29.5 87 736 A C E -E 232 0C 0 145,-2.9 145,-1.9 2,-0.0 2,-0.4 -0.947 24.4-161.5-105.6 143.2 3.4 36.5 26.5 88 737 A V E -EF 231 164C 3 76,-1.3 76,-2.7 -2,-0.4 2,-0.4 -0.958 18.7-174.4-134.7 135.7 0.3 38.0 25.1 89 738 A M E -EF 230 163C 2 141,-2.9 141,-3.8 -2,-0.4 2,-0.6 -0.999 9.3-158.5-129.8 136.2 -2.5 36.9 22.8 90 739 A D E -EF 229 162C 12 72,-2.3 71,-3.4 -2,-0.4 72,-1.2 -0.958 9.4-173.3-108.9 112.7 -5.3 39.0 21.5 91 740 A C E -EF 228 160C 0 137,-2.8 137,-2.5 -2,-0.6 2,-0.5 -0.944 17.9-141.2-107.3 118.2 -8.5 37.2 20.3 92 741 A K E -EF 227 159C 30 67,-2.6 67,-1.4 -2,-0.6 135,-0.2 -0.642 25.3-138.6 -79.4 124.0 -11.2 39.3 18.6 93 742 A M E + F 0 158C 0 133,-2.4 132,-0.6 -2,-0.5 133,-0.3 -0.546 48.8 43.5 -94.3 140.6 -14.6 38.2 19.7 94 743 A G S S- 0 0 0 63,-3.0 177,-0.2 177,-0.3 63,-0.1 -0.268 79.6 -90.9 118.7 160.3 -17.9 37.7 17.8 95 744 A V S S+ 0 0 31 175,-2.6 2,-0.3 62,-0.1 176,-0.1 0.442 112.5 34.0 -79.9 -2.7 -19.2 36.2 14.6 96 745 A R - 0 0 2 174,-0.5 129,-0.4 -3,-0.1 49,-0.1 -0.978 57.4-159.2-147.6 152.1 -18.8 39.6 12.9 97 746 A T S S+ 0 0 14 -2,-0.3 2,-0.3 47,-0.2 127,-0.1 0.300 77.7 73.8-116.3 3.7 -16.3 42.5 13.2 98 747 A Y S S- 0 0 14 46,-0.1 2,-0.1 47,-0.0 127,-0.1 -0.899 82.6-119.0-112.1 148.0 -18.6 45.1 11.7 99 748 A L > - 0 0 13 -2,-0.3 4,-1.2 1,-0.1 3,-0.3 -0.397 24.8-113.8 -74.4 158.3 -21.6 46.7 13.5 100 749 A E H >> S+ 0 0 19 1,-0.2 4,-2.4 2,-0.2 3,-0.5 0.916 118.3 55.7 -57.9 -43.7 -25.1 46.4 12.1 101 750 A E H 3> S+ 0 0 109 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.843 102.7 57.9 -58.5 -31.4 -25.3 50.1 11.4 102 751 A E H 3> S+ 0 0 81 -3,-0.3 4,-1.6 2,-0.2 -1,-0.2 0.850 109.2 43.6 -67.6 -39.2 -22.1 49.7 9.3 103 752 A L H X S+ 0 0 128 -4,-2.5 3,-1.2 -5,-0.2 4,-0.8 0.908 111.5 46.7 -58.3 -45.9 -24.9 52.2 5.8 106 755 A A H 3< S+ 0 0 9 -4,-1.6 34,-0.3 1,-0.3 -2,-0.2 0.823 104.7 61.0 -67.3 -31.4 -23.0 50.1 3.2 107 756 A R T 3< S+ 0 0 96 -4,-2.7 -1,-0.3 1,-0.2 -2,-0.2 0.533 97.3 68.3 -69.2 -4.6 -26.2 48.7 1.8 108 757 A K T <4 S+ 0 0 130 -3,-1.2 -2,-0.2 1,-0.3 -1,-0.2 0.984 112.2 18.3 -85.7 -71.0 -27.2 52.3 1.0 109 758 A K S < S+ 0 0 150 -4,-0.8 2,-1.2 2,-0.0 -1,-0.3 -0.844 80.9 178.0 -95.5 86.5 -24.8 53.5 -1.8 110 759 A P + 0 0 67 0, 0.0 -3,-0.1 0, 0.0 -4,-0.1 -0.393 15.0 162.1 -93.3 57.9 -23.9 49.9 -2.7 111 760 A S - 0 0 76 -2,-1.2 29,-0.3 1,-0.1 2,-0.2 -0.204 44.5 -85.6 -73.4 168.5 -21.6 50.8 -5.6 112 761 A L - 0 0 96 27,-0.1 2,-0.5 25,-0.1 27,-0.2 -0.489 36.1-151.9 -82.1 142.4 -19.0 48.5 -7.2 113 762 A R B > -I 138 0D 67 25,-2.7 4,-1.9 -2,-0.2 25,-1.7 -0.915 17.8-178.4-129.5 107.0 -15.5 48.2 -5.7 114 763 A K H > S+ 0 0 111 -2,-0.5 4,-2.2 23,-0.2 -1,-0.2 0.900 90.1 50.7 -60.9 -50.6 -12.4 47.3 -7.8 115 764 A D H > S+ 0 0 61 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.851 110.2 48.9 -57.2 -43.4 -10.1 47.4 -4.7 116 765 A M H > S+ 0 0 19 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.855 111.6 49.6 -68.7 -38.3 -12.3 45.1 -2.7 117 766 A Y H X S+ 0 0 23 -4,-1.9 4,-2.5 21,-0.2 -2,-0.2 0.891 111.0 50.9 -62.4 -40.7 -12.5 42.7 -5.6 118 767 A Q H X S+ 0 0 108 -4,-2.2 4,-1.2 2,-0.2 -2,-0.2 0.831 110.7 47.0 -71.7 -35.1 -8.7 42.9 -5.8 119 768 A K H X S+ 0 0 122 -4,-2.1 4,-2.6 2,-0.2 5,-0.2 0.922 114.5 48.8 -66.2 -45.7 -8.2 42.1 -2.1 120 769 A M H X S+ 0 0 0 -4,-2.2 4,-3.0 1,-0.2 7,-0.3 0.886 112.0 46.8 -61.7 -40.9 -10.7 39.3 -2.4 121 770 A V H < S+ 0 0 46 -4,-2.5 -1,-0.2 2,-0.2 -2,-0.2 0.797 112.4 52.5 -75.4 -26.6 -9.1 37.8 -5.4 122 771 A E H < S+ 0 0 153 -4,-1.2 -2,-0.2 -5,-0.2 -1,-0.2 0.928 115.4 38.6 -69.6 -48.5 -5.7 38.1 -3.7 123 772 A V H < S+ 0 0 43 -4,-2.6 -2,-0.2 1,-0.3 -3,-0.2 0.903 139.5 6.9 -71.2 -41.6 -6.9 36.3 -0.6 124 773 A D >< - 0 0 59 -4,-3.0 3,-1.4 -5,-0.2 -1,-0.3 -0.870 58.0-166.4-145.9 109.3 -9.0 33.7 -2.4 125 774 A P T 3 S+ 0 0 86 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 0.564 91.6 53.8 -74.0 -2.2 -9.0 33.5 -6.2 126 775 A E T 3 S+ 0 0 163 -6,-0.2 -5,-0.1 1,-0.1 -6,-0.0 0.338 86.1 82.6-113.3 3.9 -12.0 31.3 -6.1 127 776 A A < + 0 0 22 -3,-1.4 -1,-0.1 -7,-0.3 -6,-0.1 0.899 68.8 84.7 -79.3 -42.6 -14.3 33.5 -4.0 128 777 A P S S- 0 0 3 0, 0.0 10,-0.1 0, 0.0 2,-0.0 -0.286 78.6-117.4 -68.3 149.0 -15.8 35.9 -6.6 129 778 A T > - 0 0 55 1,-0.1 4,-2.8 4,-0.0 5,-0.2 -0.260 32.0-105.6 -67.0 163.8 -18.9 35.0 -8.7 130 779 A E H > S+ 0 0 139 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.939 124.8 54.4 -59.9 -43.5 -18.4 34.8 -12.4 131 780 A E H > S+ 0 0 138 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.913 110.3 45.7 -50.2 -48.3 -20.3 38.2 -12.6 132 781 A E H >>S+ 0 0 23 2,-0.2 4,-1.5 1,-0.2 5,-1.3 0.910 111.4 51.6 -67.4 -43.2 -17.9 39.7 -10.1 133 782 A K H <5S+ 0 0 62 -4,-2.8 3,-0.4 1,-0.2 -2,-0.2 0.941 111.8 47.3 -53.0 -50.6 -14.9 38.3 -11.9 134 783 A A H <5S+ 0 0 88 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.781 117.6 42.1 -64.1 -30.8 -16.2 39.8 -15.2 135 784 A Q H <5S- 0 0 111 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.624 96.4-140.3 -88.9 -16.3 -16.8 43.1 -13.6 136 785 A R T <5S+ 0 0 152 -4,-1.5 2,-0.3 -3,-0.4 -19,-0.2 0.873 71.4 94.8 49.4 42.9 -13.6 43.1 -11.6 137 786 A A < - 0 0 7 -5,-1.3 2,-0.3 -6,-0.1 -23,-0.2 -0.985 52.5-168.0-158.7 144.7 -15.7 44.6 -8.8 138 787 A V B -I 113 0D 2 -25,-1.7 -25,-2.7 -2,-0.3 -21,-0.2 -0.880 25.5-117.2-125.3 161.7 -17.6 43.6 -5.6 139 788 A T > - 0 0 41 -2,-0.3 4,-1.5 -27,-0.2 -27,-0.1 -0.322 25.6-115.6 -89.0-173.4 -20.0 45.5 -3.4 140 789 A K H > S+ 0 0 85 -34,-0.3 4,-4.0 -29,-0.3 5,-0.2 0.940 111.2 59.3-106.0 -36.5 -19.4 46.3 0.2 141 790 A P H > S+ 0 0 4 0, 0.0 4,-2.0 0, 0.0 5,-0.2 0.917 112.6 40.6 11.7 -97.8 -22.1 44.3 1.5 142 791 A R H > S+ 0 0 72 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.867 117.4 48.9 -58.4 -40.6 -20.7 41.2 -0.1 143 792 A Y H X S+ 0 0 26 -4,-1.5 4,-2.5 1,-0.2 -1,-0.2 0.933 108.4 51.1 -70.6 -49.4 -17.1 42.2 0.8 144 793 A M H X S+ 0 0 18 -4,-4.0 4,-0.8 1,-0.2 -1,-0.2 0.867 116.4 43.0 -49.5 -44.0 -17.7 43.0 4.4 145 794 A Q H < S+ 0 0 69 -4,-2.0 3,-0.4 -5,-0.2 4,-0.3 0.896 111.9 50.1 -76.9 -39.1 -19.4 39.6 4.9 146 795 A W H >X S+ 0 0 21 -4,-2.6 3,-2.4 1,-0.2 4,-0.5 0.904 101.6 66.0 -63.4 -39.6 -17.0 37.5 2.9 147 796 A R H >< S+ 0 0 87 -4,-2.5 3,-1.0 1,-0.3 4,-0.3 0.863 95.3 56.4 -49.5 -42.9 -14.2 39.0 4.9 148 797 A E T 3< S+ 0 0 5 -4,-0.8 6,-1.9 -3,-0.4 3,-0.3 0.632 100.0 63.9 -64.2 -11.5 -15.5 37.3 8.1 149 798 A T T <4 S+ 0 0 69 -3,-2.4 -1,-0.2 -4,-0.3 -2,-0.2 0.668 82.8 69.6 -93.3 -21.2 -15.3 34.0 6.5 150 799 A I S << S+ 0 0 29 -3,-1.0 -1,-0.2 -4,-0.5 2,-0.2 0.639 105.5 37.7 -81.2 -16.7 -11.6 33.5 5.8 151 800 A S S S- 0 0 4 -4,-0.3 3,-0.5 -3,-0.3 4,-0.3 -0.525 107.0 -83.8-114.8-169.5 -10.7 33.2 9.5 152 801 A S S >>S+ 0 0 0 25,-1.6 4,-2.2 1,-0.2 5,-1.1 0.316 100.1 99.0 -78.0 5.1 -12.5 31.4 12.4 153 802 A T H >5S+ 0 0 0 -5,-0.2 4,-1.3 4,-0.2 -1,-0.2 0.975 84.5 39.3 -61.0 -55.0 -14.7 34.5 12.9 154 803 A A H 45S+ 0 0 46 -6,-1.9 -1,-0.2 -3,-0.5 -2,-0.1 0.790 128.5 31.0 -69.8 -29.1 -17.9 33.3 11.1 155 804 A T H 45S+ 0 0 97 -4,-0.3 -2,-0.2 3,-0.2 -1,-0.2 0.846 132.2 26.0 -95.2 -43.4 -17.7 29.7 12.3 156 805 A L H <5S- 0 0 19 -4,-2.2 122,-0.3 2,-0.3 -3,-0.2 0.627 97.1-123.6-100.0 -16.6 -16.1 29.8 15.7 157 806 A G S < - 0 0 17 4,-2.6 3,-2.3 -2,-0.5 4,-0.1 -0.383 35.3 -96.5 -95.4 175.0 5.6 34.4 22.5 166 815 A E T 3 S+ 0 0 40 1,-0.3 -1,-0.1 24,-0.2 24,-0.0 0.667 120.1 70.0 -62.1 -20.4 8.4 33.6 25.0 167 816 A D T 3 S- 0 0 132 2,-0.1 -1,-0.3 1,-0.0 3,-0.1 0.746 113.3-118.0 -57.1 -29.9 10.7 33.7 22.0 168 817 A G S < S+ 0 0 32 -3,-2.3 2,-0.3 1,-0.4 -2,-0.1 0.566 75.5 131.0 83.1 13.9 10.2 37.5 21.8 169 818 A S - 0 0 41 -4,-0.1 -4,-2.6 124,-0.0 2,-0.4 -0.760 46.7-149.3 -97.0 151.8 8.7 36.8 18.4 170 819 A V E -G 164 0C 18 -2,-0.3 2,-0.4 -6,-0.2 -6,-0.2 -0.982 7.0-162.6-127.3 126.8 5.4 38.3 17.4 171 820 A N E +G 163 0C 52 -8,-2.9 -8,-2.2 -2,-0.4 3,-0.0 -0.901 23.2 156.7-110.4 137.6 2.8 36.7 15.0 172 821 A R + 0 0 95 -2,-0.4 2,-1.6 -10,-0.2 3,-0.1 0.268 45.2 104.2-132.1 1.1 -0.0 38.6 13.3 173 822 A D + 0 0 127 1,-0.2 3,-0.1 2,-0.1 -11,-0.1 -0.568 31.4 126.1 -90.3 78.9 -0.8 36.4 10.2 174 823 A F > + 0 0 18 -2,-1.6 3,-1.6 -13,-0.2 -1,-0.2 0.090 30.7 119.6-115.0 22.3 -3.9 34.7 11.3 175 824 A K T 3 S+ 0 0 102 1,-0.3 -1,-0.1 -3,-0.1 -2,-0.1 0.899 87.1 27.3 -54.1 -48.9 -5.7 35.9 8.2 176 825 A K T 3 S+ 0 0 121 -3,-0.1 2,-1.0 -25,-0.1 -1,-0.3 0.032 85.2 127.1-104.9 25.0 -6.4 32.3 7.2 177 826 A T < + 0 0 20 -3,-1.6 -25,-1.6 1,-0.2 -17,-0.2 -0.751 30.2 139.5 -82.7 106.7 -6.4 30.8 10.6 178 827 A K + 0 0 69 -2,-1.0 -1,-0.2 -27,-0.3 -22,-0.2 0.797 32.3 71.3-120.1 -49.0 -9.8 29.1 10.4 179 828 A T S > S- 0 0 55 -3,-0.2 4,-1.9 1,-0.1 5,-0.1 -0.368 76.1-116.1 -92.9 160.9 -10.2 25.6 11.9 180 829 A R H > S+ 0 0 72 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.768 118.7 55.6 -59.0 -31.3 -10.3 24.3 15.4 181 830 A E H > S+ 0 0 138 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.943 106.6 47.7 -67.7 -50.5 -7.1 22.5 14.6 182 831 A Q H > S+ 0 0 71 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.855 114.7 47.6 -56.0 -39.8 -5.3 25.6 13.5 183 832 A V H X S+ 0 0 0 -4,-1.9 4,-2.6 2,-0.2 5,-0.3 0.959 110.4 48.7 -71.3 -53.3 -6.4 27.4 16.7 184 833 A T H X S+ 0 0 13 -4,-2.5 4,-3.4 1,-0.2 5,-0.2 0.936 110.3 55.0 -47.7 -51.0 -5.5 24.6 19.0 185 834 A E H X S+ 0 0 123 -4,-2.8 4,-2.2 2,-0.2 -1,-0.2 0.909 109.9 45.5 -45.5 -51.3 -2.1 24.6 17.2 186 835 A A H X S+ 0 0 9 -4,-1.8 4,-2.8 2,-0.2 -2,-0.2 0.931 115.2 45.6 -65.3 -51.9 -1.6 28.4 17.9 187 836 A F H X S+ 0 0 4 -4,-2.6 4,-1.6 2,-0.2 6,-0.3 0.894 110.6 55.2 -49.8 -50.6 -2.7 28.1 21.6 188 837 A R H X>S+ 0 0 120 -4,-3.4 5,-1.7 -5,-0.3 4,-1.2 0.920 113.7 40.3 -54.9 -46.6 -0.5 25.0 22.0 189 838 A E H <5S+ 0 0 101 -4,-2.2 3,-0.2 -5,-0.2 -2,-0.2 0.923 114.5 53.0 -66.5 -42.1 2.6 27.0 20.8 190 839 A F H <5S+ 0 0 6 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.751 120.7 33.8 -60.3 -25.2 1.6 30.1 22.7 191 840 A T H ><5S- 0 0 5 -4,-1.6 3,-1.4 -3,-0.2 -1,-0.3 0.563 100.5-131.8-110.0 -17.9 1.3 28.1 25.8 192 841 A K T 3<5 - 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0 0 29 -2,-0.3 4,-2.6 -27,-0.2 5,-0.1 -0.564 20.2-135.2 -97.9 156.3 40.8 41.7 82.1 429 789 B K H > S+ 0 0 89 -29,-0.3 4,-3.5 2,-0.2 5,-0.3 0.938 107.3 53.6 -80.5 -52.2 39.8 43.0 78.7 430 790 B P H > S+ 0 0 1 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.956 113.4 39.3 -11.9 -92.4 42.6 41.2 77.2 431 791 B R H > S+ 0 0 65 1,-0.2 4,-2.9 2,-0.2 -2,-0.2 0.807 118.0 51.5 -57.9 -31.8 41.7 37.8 78.6 432 792 B Y H X S+ 0 0 17 -4,-2.6 4,-3.3 2,-0.2 5,-0.2 0.943 105.0 52.5 -67.8 -54.7 38.0 38.5 78.0 433 793 B M H X S+ 0 0 23 -4,-3.5 4,-0.9 1,-0.2 -47,-0.2 0.913 116.1 44.4 -41.8 -48.6 38.3 39.5 74.4 434 794 B Q H >< S+ 0 0 65 -4,-2.0 3,-0.6 -5,-0.3 4,-0.4 0.947 113.1 49.1 -65.4 -49.2 40.1 36.2 74.0 435 795 B W H >< S+ 0 0 23 -4,-2.9 3,-2.6 1,-0.2 4,-0.4 0.891 102.0 62.6 -57.2 -43.4 37.6 34.2 76.1 436 796 B R H >< S+ 0 0 118 -4,-3.3 3,-1.3 1,-0.3 4,-0.4 0.833 94.9 61.9 -53.1 -40.3 34.5 35.6 74.2 437 797 B E T << S+ 0 0 8 -4,-0.9 6,-1.6 -3,-0.6 3,-0.3 0.695 99.3 59.5 -58.0 -20.4 35.8 33.9 71.0 438 798 B T T < S+ 0 0 59 -3,-2.6 -1,-0.2 -4,-0.4 -2,-0.2 0.598 84.2 71.6 -91.5 -12.4 35.4 30.6 72.7 439 799 B I S < S+ 0 0 32 -3,-1.3 -1,-0.2 -4,-0.4 2,-0.2 0.741 106.6 32.0 -79.3 -20.6 31.8 30.4 73.6 440 800 B S S > S- 0 0 4 -4,-0.4 3,-0.5 -3,-0.3 4,-0.5 -0.476 107.0 -77.9-119.5-168.6 30.7 29.9 70.0 441 801 B S T 3>>S+ 0 0 0 25,-1.7 4,-3.2 1,-0.2 5,-1.2 0.530 99.4 98.2 -73.0 -7.3 32.3 28.2 66.9 442 802 B T H 3>5S+ 0 0 0 4,-0.2 4,-1.5 3,-0.2 -1,-0.2 0.925 89.3 34.8 -47.0 -58.4 34.7 31.1 66.2 443 803 B A H <45S+ 0 0 48 -6,-1.6 -1,-0.2 -3,-0.5 -2,-0.1 0.907 127.6 36.6 -70.0 -39.6 37.8 29.6 67.9 444 804 B T H 45S+ 0 0 82 -4,-0.5 -2,-0.2 1,-0.1 -1,-0.2 0.876 134.3 20.8 -81.5 -40.2 37.1 25.9 66.9 445 805 B L H <5S- 0 0 26 -4,-3.2 122,-0.4 2,-0.3 -3,-0.2 0.655 96.7-122.8-105.2 -17.0 35.6 26.3 63.4 446 806 B G S < - 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