==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-APR-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 06-JAN-11 2Y4I . COMPND 2 MOLECULE: KINASE SUPPRESSOR OF RAS 2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR D.F.BRENNAN,D.BARFORD . 578 7 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 30257.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 363 62.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 0.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 64 11.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 50 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 64 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 162 28.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.4 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 3 2 0 2 2 2 1 1 0 0 0 0 2 0 1 0 0 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 7 7 1 2 1 1 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 . 1 1 1 2 1 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 1 653 B S 0 0 119 0, 0.0 2,-0.3 0, 0.0 78,-0.2 0.000 360.0 360.0 360.0 79.8 -11.5 61.1 -29.8 2 654 B I - 0 0 5 76,-1.4 2,-0.3 3,-0.0 76,-0.1 -0.984 360.0-154.0-151.4 139.5 -9.5 64.1 -28.4 3 655 B F > - 0 0 125 -2,-0.3 3,-1.8 74,-0.2 73,-0.1 -0.842 28.6-117.1-119.9 153.4 -5.8 65.0 -28.4 4 656 B L G > S+ 0 0 12 -2,-0.3 3,-1.1 1,-0.3 7,-0.1 0.659 108.7 68.8 -62.2 -18.1 -3.7 67.2 -26.1 5 657 B Q G 3 S+ 0 0 130 1,-0.3 -1,-0.3 5,-0.1 6,-0.0 0.802 84.9 68.7 -71.8 -28.4 -2.9 69.5 -28.9 6 658 B E G < S+ 0 0 88 -3,-1.8 2,-0.3 0, 0.0 -1,-0.3 0.427 89.9 91.1 -69.8 3.3 -6.5 70.7 -29.0 7 659 B W S < S- 0 0 11 -3,-1.1 4,-0.2 2,-0.2 68,-0.1 -0.769 80.7-127.9-107.3 148.7 -5.8 72.3 -25.7 8 660 B D S S+ 0 0 109 -2,-0.3 -1,-0.1 2,-0.1 3,-0.1 0.975 88.4 82.1 -49.8 -68.3 -4.5 75.8 -24.8 9 661 B I S S- 0 0 43 65,-0.2 2,-0.3 1,-0.1 -2,-0.2 -0.126 92.7-113.1 -45.9 125.3 -1.7 74.7 -22.6 10 662 B P - 0 0 111 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.488 38.6-172.0 -65.2 125.7 1.3 73.8 -24.8 11 663 B F + 0 0 51 -2,-0.3 3,-0.1 -4,-0.2 22,-0.0 -0.984 31.1 133.9-125.2 133.6 2.1 70.0 -24.6 12 664 B E S S+ 0 0 163 -2,-0.4 2,-0.5 1,-0.2 -1,-0.1 0.462 76.0 28.9-133.9 -50.9 5.0 68.1 -26.0 13 665 B Q + 0 0 118 2,-0.0 21,-0.7 19,-0.0 2,-0.5 -0.965 59.4 177.7-123.9 116.1 6.3 65.8 -23.3 14 666 B L E -A 33 0A 44 -2,-0.5 2,-0.4 19,-0.2 19,-0.2 -0.964 8.4-175.3-119.3 117.4 4.0 64.3 -20.7 15 667 B E E -A 32 0A 103 17,-2.0 17,-2.1 -2,-0.5 2,-0.1 -0.934 17.4-134.1-119.2 132.0 5.6 61.9 -18.2 16 668 B I - 0 0 105 -2,-0.4 15,-0.2 15,-0.2 2,-0.1 -0.429 22.1-170.6 -81.4 153.9 3.8 59.9 -15.5 17 669 B G - 0 0 37 1,-0.1 2,-0.3 -2,-0.1 14,-0.2 -0.183 42.1 -33.6-119.3-147.7 5.1 59.6 -12.0 18 670 B E - 0 0 152 12,-0.4 12,-1.8 -2,-0.1 -1,-0.1 -0.625 68.0-104.2 -84.3 134.2 4.2 57.6 -8.8 19 671 B L B +B 29 0B 87 -2,-0.3 10,-0.2 10,-0.2 -1,-0.1 -0.199 45.9 159.5 -56.3 141.2 0.6 56.7 -8.2 20 672 B I + 0 0 92 8,-2.8 2,-0.7 2,-0.0 9,-0.2 0.168 43.5 103.9-143.8 10.5 -1.2 58.7 -5.6 21 673 B G + 0 0 13 7,-0.8 -2,-0.0 1,-0.2 -1,-0.0 -0.855 23.2 154.0-115.7 103.3 -4.8 58.1 -6.6 22 674 B K + 0 0 167 -2,-0.7 -1,-0.2 5,-0.1 -2,-0.0 0.901 40.8 122.8 -73.4 -88.3 -7.1 55.7 -4.8 23 675 B G S S- 0 0 53 4,-0.1 3,-0.1 1,-0.0 -2,-0.0 0.518 72.9-100.3 54.6 163.7 -10.5 57.3 -5.7 24 676 B R S S+ 0 0 74 1,-0.2 2,-0.8 3,-0.0 -1,-0.0 0.953 105.7 58.1 -80.9 -64.9 -13.5 55.9 -7.5 25 677 B F S S- 0 0 71 128,-0.1 -1,-0.2 17,-0.0 17,-0.1 -0.581 118.2 -53.1 -74.1 107.8 -13.0 57.3 -11.0 26 678 B G S S- 0 0 12 -2,-0.8 2,-0.4 17,-0.1 16,-0.2 0.257 76.2 -66.1 56.7 179.4 -9.7 56.1 -12.3 27 679 B Q E - C 0 41B 75 14,-1.3 14,-2.8 -8,-0.0 2,-0.6 -0.835 41.0-139.1-106.1 144.9 -6.3 56.3 -10.7 28 680 B V E - C 0 40B 26 -2,-0.4 -8,-2.8 12,-0.2 -7,-0.8 -0.907 17.7-166.3-109.1 120.7 -4.5 59.6 -10.1 29 681 B Y E -BC 19 39B 57 10,-3.7 10,-2.7 -2,-0.6 2,-1.7 -0.833 29.5-121.8-105.2 142.2 -0.7 59.8 -10.7 30 682 B H E + C 0 38B 39 -12,-1.8 -12,-0.4 -2,-0.4 8,-0.2 -0.647 58.9 164.6 -73.8 87.9 1.6 62.6 -9.7 31 683 B G E - C 0 37B 1 -2,-1.7 6,-0.8 6,-0.9 2,-0.3 -0.168 39.5-120.0-100.2-168.8 2.7 63.3 -13.2 32 684 B R E -A 15 0A 103 -17,-2.1 2,-2.5 4,-0.2 -17,-2.0 -0.742 15.5-177.3-142.4 91.2 4.5 66.0 -15.2 33 685 B W E S-A 14 0A 8 -2,-0.3 2,-3.9 -19,-0.2 -19,-0.2 -0.567 88.8 -69.9 -73.9 70.5 2.8 67.8 -18.1 34 686 B H S S+ 0 0 97 -2,-2.5 -1,-0.1 -21,-0.7 -20,-0.1 -0.311 135.4 49.5 64.9 -60.9 6.2 69.4 -18.4 35 687 B G S S- 0 0 41 -2,-3.9 2,-0.8 1,-0.1 -1,-0.1 0.126 117.5 -68.9 -82.3-156.8 5.2 71.1 -15.1 36 688 B E S S+ 0 0 63 -4,-0.2 53,-1.3 -3,-0.1 -4,-0.2 -0.835 70.5 152.0-107.2 99.4 3.9 69.4 -12.0 37 689 B V E -CD 31 88B 2 -6,-0.8 -6,-0.9 -2,-0.8 2,-0.5 -0.635 44.4-115.4-121.0 174.9 0.4 68.2 -12.7 38 690 B A E -C 30 0B 11 49,-3.6 2,-0.5 -8,-0.2 49,-0.3 -0.960 27.3-157.5-119.4 118.0 -2.0 65.4 -11.6 39 691 B I E -C 29 0B 5 -10,-2.7 -10,-3.7 -2,-0.5 2,-0.5 -0.813 3.1-162.3-103.6 126.5 -3.0 62.8 -14.1 40 692 B R E -CE 28 85B 28 45,-2.8 45,-2.5 -2,-0.5 2,-0.8 -0.923 3.3-159.3-110.2 122.6 -6.1 60.7 -13.9 41 693 B L E +CE 27 84B 33 -14,-2.8 -14,-1.3 -2,-0.5 2,-0.4 -0.825 15.0 172.9-105.0 100.9 -6.4 57.6 -15.9 42 694 B I - 0 0 35 41,-1.0 3,-0.1 -2,-0.8 42,-0.1 -0.323 28.2-145.3-103.6 50.5 -10.1 56.5 -16.3 43 695 B D - 0 0 106 -2,-0.4 39,-0.2 40,-0.2 -17,-0.1 0.267 28.8-105.6 -21.1 118.9 -9.6 53.7 -18.8 44 696 B I - 0 0 67 37,-0.6 2,-0.2 1,-0.1 -1,-0.1 -0.124 27.2-117.4 -59.3 145.8 -12.7 53.8 -21.0 45 697 B E - 0 0 106 -3,-0.1 -1,-0.1 1,-0.1 -3,-0.0 -0.555 44.1 -86.8 -80.5 150.1 -15.5 51.3 -20.7 46 698 B R S S- 0 0 222 -2,-0.2 -1,-0.1 3,-0.0 0, 0.0 -0.156 86.6 -17.0 -61.5 149.0 -16.2 49.0 -23.7 47 699 B D + 0 0 125 1,-0.1 -2,-0.1 -3,-0.1 0, 0.0 -0.209 67.5 133.0 57.0-142.8 -18.5 50.2 -26.5 48 700 B N + 0 0 82 1,-0.1 3,-0.3 2,-0.1 2,-0.2 0.890 24.3 168.4 64.2 42.5 -20.9 53.1 -25.8 49 701 B E + 0 0 148 1,-0.2 -1,-0.1 2,-0.0 -2,-0.1 0.099 58.0 79.6 -76.7 26.7 -20.0 54.8 -29.1 50 702 B D + 0 0 138 -2,-0.2 -1,-0.2 1,-0.1 2,-0.2 -0.283 55.6 107.9-127.7 47.8 -22.9 57.2 -28.6 51 703 B Q > + 0 0 70 -3,-0.3 5,-0.5 1,-0.1 4,-0.4 -0.496 29.1 127.5-123.8 62.8 -21.5 59.7 -26.1 52 704 B L I >>>S+ 0 0 109 2,-0.2 3,-2.5 3,-0.2 4,-1.5 0.970 77.3 45.4 -77.9 -63.5 -20.9 62.9 -28.1 53 705 B K I 345S+ 0 0 137 1,-0.3 -1,-0.2 3,-0.2 -2,-0.1 0.712 107.4 67.1 -51.3 -19.3 -22.8 65.4 -25.9 54 706 B A I 345S- 0 0 28 3,-0.1 5,-0.5 4,-0.1 -1,-0.3 0.769 133.8 -18.5 -74.8 -27.6 -21.0 63.7 -23.1 55 707 B F I <4>S+ 0 0 42 -3,-2.5 5,-1.2 -4,-0.4 -2,-0.2 0.461 126.1 72.7-149.1 -42.8 -17.5 64.9 -24.2 56 708 B K I < 5S+ 0 0 74 -6,-0.5 3,-2.7 2,-0.1 4,-0.5 0.966 109.2 37.6 -86.1 -77.8 -18.8 68.6 -22.4 59 711 B V G > 5S+ 0 0 8 -5,-0.5 3,-2.0 1,-0.3 4,-0.3 0.834 113.2 58.9 -47.2 -41.5 -15.1 68.1 -21.4 60 712 B M G > - 0 0 55 3,-0.3 3,-0.8 -2,-0.2 54,-0.1 -0.931 49.4-123.6-137.9 157.5 -10.8 80.9 -11.9 68 720 B E T 3 S+ 0 0 129 -2,-0.3 78,-0.3 1,-0.2 53,-0.1 0.608 114.7 47.0 -77.2 -11.2 -8.7 81.5 -8.8 69 721 B N T 3 S+ 0 0 1 78,-0.1 79,-3.0 51,-0.1 2,-0.4 0.244 102.3 74.3-113.3 10.3 -10.9 79.0 -6.9 70 722 B V B < S-g 148 0C 10 -3,-0.8 -3,-0.3 77,-0.2 79,-0.2 -0.968 86.5-107.8-124.8 139.8 -11.0 76.2 -9.5 71 723 B V - 0 0 7 77,-1.9 2,-0.3 -2,-0.4 -4,-0.1 -0.380 45.1-102.4 -61.4 141.2 -8.3 73.7 -10.4 72 724 B L - 0 0 68 1,-0.1 16,-1.7 -6,-0.1 2,-1.3 -0.491 26.2-137.2 -67.8 128.9 -6.8 74.5 -13.7 73 725 B F - 0 0 20 -8,-0.4 14,-0.2 -11,-0.3 -8,-0.1 -0.727 22.2-178.1 -89.3 91.0 -8.1 72.1 -16.4 74 726 B M - 0 0 22 -2,-1.3 -65,-0.2 1,-0.2 -1,-0.2 0.822 49.6-102.9 -54.9 -35.7 -4.9 71.3 -18.2 75 727 B G E -F 86 0B 0 11,-1.0 11,-2.9 -3,-0.1 -1,-0.2 -0.500 29.9-121.1 127.1 163.4 -6.9 69.2 -20.6 76 728 B A E -F 85 0B 2 9,-0.3 9,-0.2 -2,-0.2 2,-0.2 -0.616 9.1-146.1-124.9-174.9 -7.7 65.5 -21.4 77 729 B C E -F 84 0B 21 7,-1.7 7,-1.3 -2,-0.2 2,-0.8 -0.772 4.2-153.6-161.5 117.5 -7.4 63.0 -24.2 78 730 B M E -F 83 0B 35 -2,-0.2 -76,-1.4 5,-0.2 5,-0.2 -0.814 17.4-174.8 -94.1 110.6 -9.8 60.2 -25.2 79 731 B S - 0 0 33 3,-1.5 -35,-0.1 -2,-0.8 -2,-0.0 -0.398 43.5 -97.5 -88.0 173.4 -8.0 57.4 -27.0 80 732 B P S S+ 0 0 129 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.975 119.8 18.8 -54.7 -52.9 -9.8 54.4 -28.4 81 733 B P S S+ 0 0 93 0, 0.0 -37,-0.6 0, 0.0 2,-0.1 0.965 126.9 29.8 -83.4 -57.7 -9.0 52.2 -25.4 82 734 B H - 0 0 66 -39,-0.2 -3,-1.5 2,-0.0 2,-0.3 -0.267 58.7-148.3-100.8-179.7 -8.1 54.6 -22.5 83 735 B L E - F 0 78B 14 -5,-0.2 -41,-1.0 -2,-0.1 2,-0.4 -0.981 10.6-171.6-148.4 144.0 -8.8 58.1 -21.2 84 736 B A E -EF 41 77B 10 -7,-1.3 -7,-1.7 -2,-0.3 2,-0.5 -0.988 6.8-164.3-142.5 129.7 -6.6 60.5 -19.3 85 737 B I E -EF 40 76B 13 -45,-2.5 -45,-2.8 -2,-0.4 -9,-0.3 -0.960 10.6-157.9-114.9 123.0 -7.4 63.9 -17.7 86 738 B I E + F 0 75B 1 -11,-2.9 -11,-1.0 -2,-0.5 2,-0.3 -0.582 17.7 167.6 -92.1 159.0 -4.6 66.2 -16.7 87 739 B T - 0 0 16 -49,-0.3 -49,-3.6 -2,-0.2 -14,-0.2 -0.924 44.2 -79.8-170.3 144.4 -5.0 68.9 -14.1 88 740 B S B -D 37 0B 37 -16,-1.7 2,-0.5 -2,-0.3 -51,-0.2 -0.205 49.6-121.8 -47.4 125.6 -2.9 71.3 -12.0 89 741 B L - 0 0 27 -53,-1.3 2,-0.6 -58,-0.1 -1,-0.1 -0.625 22.6-133.6 -72.5 123.7 -1.3 69.5 -9.1 90 742 B C - 0 0 21 -2,-0.5 2,-1.4 1,-0.1 52,-0.1 -0.714 10.5-154.6 -80.8 117.8 -2.5 71.2 -5.9 91 743 B K + 0 0 150 -2,-0.6 2,-0.2 50,-0.1 -1,-0.1 -0.571 66.3 58.1 -92.8 71.5 0.5 71.6 -3.7 92 744 B G S S- 0 0 38 -2,-1.4 2,-0.4 51,-0.1 51,-0.2 -0.770 89.9 -62.5-163.2-153.6 -1.3 71.7 -0.4 93 745 B R E -H 142 0C 107 49,-0.7 49,-0.9 -2,-0.2 -2,-0.1 -0.920 45.1-109.2-118.6 144.3 -3.7 69.7 1.8 94 746 B T E > -H 141 0C 28 -2,-0.4 4,-2.2 47,-0.2 47,-0.3 -0.376 26.7-123.6 -64.4 145.5 -7.2 68.5 1.1 95 747 B L H > S+ 0 0 5 45,-3.2 4,-2.5 42,-0.6 43,-0.2 0.873 112.4 59.5 -59.3 -36.7 -9.9 70.3 3.1 96 748 B Y H 4 S+ 0 0 86 41,-0.8 4,-0.2 44,-0.3 -1,-0.2 0.970 108.4 41.9 -52.1 -57.9 -11.0 66.9 4.4 97 749 B S H >4 S+ 0 0 36 1,-0.2 3,-0.7 2,-0.2 -2,-0.2 0.851 117.3 45.7 -64.1 -39.2 -7.6 66.2 5.9 98 750 B V H >< S+ 0 0 18 -4,-2.2 3,-1.2 1,-0.2 -1,-0.2 0.861 103.9 61.1 -74.1 -35.7 -6.9 69.6 7.4 99 751 B V T 3< S+ 0 0 2 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.543 118.8 32.8 -67.8 -3.0 -10.4 69.9 8.9 100 752 B R T < S+ 0 0 74 -3,-0.7 -1,-0.3 -4,-0.2 -2,-0.2 0.257 88.1 133.7-132.6 3.7 -9.4 66.9 10.8 101 753 B D S < S- 0 0 52 -3,-1.2 3,-0.2 1,-0.2 2,-0.1 -0.384 81.7 -77.6 -62.8 135.7 -5.7 67.6 11.2 102 754 B A S S- 0 0 84 1,-0.2 -1,-0.2 -2,-0.1 -2,-0.1 -0.044 101.6 -36.5 -37.5 91.0 -4.5 67.0 14.8 103 755 B K + 0 0 198 -3,-0.2 2,-0.4 1,-0.2 -1,-0.2 0.919 69.7 178.0 50.0 101.5 -5.8 70.2 16.2 104 756 B I - 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0 0 55 -290,-0.3 -291,-0.8 1,-0.1 -1,-0.2 -0.841 59.2 -26.8-153.4-173.4 -19.7 49.7 1.2 454 223 C F B +J 161 0D 67 -2,-0.2 -293,-0.2 -293,-0.2 -294,-0.1 -0.038 40.7 174.2 -50.2 137.6 -22.3 47.7 -0.8 455 224 C V + 0 0 19 -295,-2.5 3,-0.3 -296,-0.4 -295,-0.2 0.789 17.5 177.3-108.6 -60.2 -26.0 48.4 0.0 456 225 C G - 0 0 15 -296,-0.7 3,-0.1 -297,-0.7 -296,-0.0 -0.340 45.7 -71.7 86.8-165.0 -28.0 46.5 -2.5 457 226 C T S S+ 0 0 68 1,-0.1 2,-0.5 -2,-0.1 -1,-0.2 0.383 107.4 67.8-116.1 -0.8 -31.8 46.1 -2.9 458 227 C R - 0 0 100 -3,-0.3 2,-0.2 58,-0.0 -1,-0.1 -0.981 65.9-166.1-126.5 122.5 -32.6 43.8 0.0 459 228 C S + 0 0 5 -2,-0.5 -2,-0.0 1,-0.1 -3,-0.0 -0.558 27.0 179.1-107.1 167.3 -32.3 45.1 3.6 460 229 C Y + 0 0 21 -2,-0.2 2,-0.2 2,-0.1 -38,-0.1 0.210 40.2 133.3-145.4 3.0 -32.3 43.5 7.1 461 230 C M - 0 0 27 1,-0.1 -2,-0.1 17,-0.1 -40,-0.0 -0.437 62.4-117.7 -57.6 124.1 -31.9 46.7 9.1 462 231 C S >> - 0 0 0 -2,-0.2 4,-1.5 1,-0.1 3,-1.3 -0.455 24.4-113.1 -65.2 141.0 -34.3 46.6 12.0 463 232 C P H 3> S+ 0 0 1 0, 0.0 4,-0.6 0, 0.0 -1,-0.1 0.723 116.3 57.9 -47.7 -31.7 -36.9 49.5 11.8 464 233 C E H >>>S+ 0 0 3 2,-0.2 4,-1.5 1,-0.2 5,-1.2 0.903 104.1 51.2 -69.8 -40.6 -35.4 51.0 14.9 465 234 C R H X45S+ 0 0 34 -3,-1.3 3,-0.7 1,-0.2 -1,-0.2 0.946 101.1 59.1 -60.4 -52.1 -31.9 51.3 13.4 466 235 C L H 3<5S+ 0 0 0 -4,-1.5 -1,-0.2 1,-0.3 -2,-0.2 0.785 112.7 43.9 -49.5 -24.9 -33.1 53.0 10.3 467 236 C Q H <<5S- 0 0 90 -3,-0.6 -1,-0.3 -4,-0.6 -2,-0.2 0.741 123.9 -99.5 -95.3 -26.9 -34.3 55.7 12.7 468 237 C G T <<5 + 0 0 35 -4,-1.5 -3,-0.2 -3,-0.7 3,-0.1 0.050 69.8 139.9 135.1 -28.7 -31.4 55.9 15.0 469 238 C T < - 0 0 55 -5,-1.2 -1,-0.3 -6,-0.1 -2,-0.1 -0.159 66.6 -94.4 -50.3 135.1 -32.2 53.8 18.1 470 239 C H - 0 0 154 1,-0.1 2,-1.2 5,-0.0 -1,-0.1 -0.224 41.9-114.9 -46.8 137.0 -29.2 51.8 19.3 471 240 C Y - 0 0 79 -3,-0.1 -1,-0.1 -6,-0.1 5,-0.1 -0.679 37.4-168.3 -86.9 95.5 -29.3 48.3 17.8 472 241 C S >> - 0 0 33 -2,-1.2 3,-2.2 1,-0.1 4,-0.6 -0.063 46.3 -89.0 -67.1 177.4 -29.8 45.9 20.8 473 242 C V H 3> S+ 0 0 17 1,-0.3 4,-0.8 2,-0.2 3,-0.2 0.681 128.7 71.6 -62.8 -14.7 -29.4 42.2 20.4 474 243 C Q H 3> S+ 0 0 39 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.699 83.7 67.9 -73.3 -20.1 -33.1 42.5 19.5 475 244 C S H <> S+ 0 0 1 -3,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.935 99.3 48.1 -61.6 -47.1 -32.0 44.1 16.2 476 245 C D H X S+ 0 0 1 -4,-0.6 4,-3.2 1,-0.2 -1,-0.2 0.791 106.0 60.8 -63.4 -27.7 -30.5 40.7 15.2 477 246 C I H X S+ 0 0 0 -4,-0.8 4,-3.5 2,-0.2 -1,-0.2 0.928 102.4 49.3 -65.6 -46.3 -33.8 39.2 16.2 478 247 C W H X S+ 0 0 2 -4,-1.9 4,-3.6 2,-0.2 5,-0.2 0.935 111.8 50.3 -55.2 -49.2 -35.7 41.3 13.7 479 248 C S H X S+ 0 0 6 -4,-1.9 4,-3.7 2,-0.2 5,-0.3 0.981 111.6 46.6 -51.1 -62.8 -33.2 40.2 11.1 480 249 C M H X S+ 0 0 6 -4,-3.2 4,-3.3 1,-0.2 -2,-0.2 0.924 114.2 49.1 -45.0 -53.4 -33.6 36.5 12.1 481 250 C G H X S+ 0 0 0 -4,-3.5 4,-2.0 1,-0.2 -1,-0.2 0.945 114.3 44.0 -52.9 -53.1 -37.4 37.0 12.0 482 251 C L H X S+ 0 0 0 -4,-3.6 4,-2.1 1,-0.2 -2,-0.2 0.923 114.2 50.0 -59.5 -47.4 -37.3 38.7 8.6 483 252 C S H X S+ 0 0 4 -4,-3.7 4,-1.9 -5,-0.2 -1,-0.2 0.922 106.6 56.1 -57.5 -47.0 -34.9 36.1 7.2 484 253 C L H X S+ 0 0 6 -4,-3.3 4,-1.7 -5,-0.3 3,-0.3 0.923 106.1 50.6 -51.2 -49.8 -37.1 33.3 8.5 485 254 C V H X S+ 0 0 2 -4,-2.0 4,-1.9 1,-0.3 3,-0.5 0.949 108.2 51.4 -54.6 -52.8 -40.0 34.7 6.5 486 255 C E H X S+ 0 0 10 -4,-2.1 4,-0.9 1,-0.2 5,-0.3 0.831 105.8 59.6 -51.6 -33.8 -37.9 34.9 3.3 487 256 C M H < S+ 0 0 4 -4,-1.9 -95,-2.3 -3,-0.3 -1,-0.2 0.922 111.6 36.0 -62.9 -47.2 -37.0 31.2 4.0 488 257 C A H < S+ 0 0 4 -4,-1.7 -2,-0.2 -3,-0.5 -3,-0.1 0.983 120.9 41.4 -73.6 -61.2 -40.6 29.9 3.9 489 258 C V H < S- 0 0 30 -4,-1.9 -1,-0.2 2,-0.2 -2,-0.2 0.646 100.3-134.4 -65.3 -13.9 -42.2 32.0 1.2 490 259 C G S < S+ 0 0 31 -4,-0.9 2,-0.3 -5,-0.4 -3,-0.2 0.704 75.3 85.2 68.0 20.6 -39.1 31.7 -0.8 491 260 C R S S- 0 0 69 -5,-0.3 -2,-0.2 -6,-0.3 -1,-0.1 -0.987 96.3 -91.7-151.9 140.7 -39.1 35.4 -1.7 492 261 C Y - 0 0 25 -2,-0.3 -9,-0.1 1,-0.2 -10,-0.0 -0.395 44.9-135.7 -56.3 104.8 -37.8 38.5 0.1 493 262 C P + 0 0 5 0, 0.0 -1,-0.2 0, 0.0 34,-0.1 0.697 65.2 109.0 -37.6 -47.9 -41.1 39.4 2.0 494 263 C I S S+ 0 0 8 1,-0.1 22,-0.0 2,-0.1 -2,-0.0 -0.730 75.1 32.0 -93.2 132.2 -41.1 43.1 1.2 495 264 C P S S- 0 0 53 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.542 105.6-122.9 -76.0 148.1 -43.0 44.2 -0.6 496 265 C P - 0 0 51 0, 0.0 -2,-0.1 0, 0.0 -4,-0.0 -0.234 41.2 -85.2 -53.5 141.3 -45.6 41.6 0.4 497 266 C P - 0 0 40 0, 0.0 -6,-0.0 0, 0.0 -3,-0.0 0.017 42.0-121.5 -47.1 153.0 -47.0 39.6 -2.5 498 267 C D - 0 0 117 -3,-0.1 0, 0.0 1,-0.0 0, 0.0 0.730 40.8 -85.9 -67.1-124.0 -49.8 41.1 -4.6 499 268 C A S S+ 0 0 66 3,-0.1 4,-0.4 2,-0.0 -1,-0.0 0.594 126.2 33.4-122.7 -37.3 -53.1 39.1 -4.9 500 269 C K S > S+ 0 0 140 2,-0.1 4,-0.9 3,-0.1 0, 0.0 0.607 111.9 66.6 -93.3 -17.2 -52.3 36.8 -7.8 501 270 C E T >4 S+ 0 0 93 2,-0.2 3,-1.3 1,-0.2 -1,-0.1 0.997 109.7 32.0 -64.1 -66.1 -48.6 36.6 -6.8 502 271 C L G >> S+ 0 0 79 1,-0.3 3,-1.2 2,-0.1 4,-0.6 0.802 110.3 70.6 -61.7 -29.8 -49.1 34.7 -3.6 503 272 C E G 34 S+ 0 0 85 -4,-0.4 -1,-0.3 1,-0.3 -2,-0.2 0.844 106.0 38.7 -53.5 -35.2 -52.1 33.0 -5.2 504 273 C L G << S+ 0 0 132 -3,-1.3 -1,-0.3 -4,-0.9 -2,-0.1 -0.380 97.3 79.7-117.4 52.3 -49.7 31.1 -7.4 505 274 C M T <4 + 0 0 60 -3,-1.2 2,-0.3 -2,-0.1 -1,-0.1 0.592 62.4 97.0-126.3 -27.9 -46.8 30.3 -5.1 506 275 C F < + 0 0 154 -4,-0.6 2,-0.0 -3,-0.2 -17,-0.0 -0.497 44.8 107.7 -71.9 130.8 -48.0 27.3 -3.1 507 276 C G 0 0 61 -2,-0.3 -1,-0.1 -3,-0.0 -2,-0.0 -0.134 360.0 360.0-157.9 -98.5 -46.8 23.9 -4.4 508 277 C C 0 0 161 -2,-0.0 -117,-0.1 -115,-0.0 -2,-0.1 0.214 360.0 360.0-177.6 360.0 -44.1 21.7 -2.8 509 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 510 307 C P 0 0 182 0, 0.0 2,-0.2 0, 0.0 -332,-0.0 0.000 360.0 360.0 360.0 93.3 -37.8 47.1 -8.9 511 308 C M - 0 0 50 -54,-0.1 -332,-0.6 -334,-0.0 2,-0.4 -0.768 360.0-101.6-131.5 173.1 -37.6 49.8 -6.3 512 309 C A B >> -K 178 0E 18 -2,-0.2 4,-2.0 -334,-0.2 3,-0.6 -0.822 36.3-121.6 -94.5 139.8 -35.6 52.7 -5.0 513 310 C I H 3> S+ 0 0 10 -336,-2.5 4,-2.0 -2,-0.4 5,-0.1 0.879 112.0 49.5 -48.9 -46.8 -33.4 52.0 -2.0 514 311 C F H 3> S+ 0 0 7 -337,-0.3 4,-3.4 -339,-0.3 -1,-0.3 0.852 106.9 55.4 -63.6 -36.6 -35.1 54.6 0.1 515 312 C E H <> S+ 0 0 111 -3,-0.6 4,-2.1 2,-0.2 -1,-0.2 0.928 107.0 49.3 -63.4 -44.8 -38.6 53.4 -0.8 516 313 C L H X S+ 0 0 9 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.943 116.0 44.1 -56.3 -48.7 -37.8 49.9 0.4 517 314 C L H X S+ 0 0 1 -4,-2.0 4,-2.0 -5,-0.2 -2,-0.2 0.944 110.4 52.8 -62.3 -50.7 -36.4 51.4 3.7 518 315 C D H X S+ 0 0 55 -4,-3.4 4,-2.3 1,-0.2 5,-0.4 0.837 109.4 51.9 -55.5 -34.4 -39.3 53.9 4.2 519 316 C Y H X S+ 0 0 62 -4,-2.1 4,-1.9 -5,-0.2 -1,-0.2 0.953 105.6 53.5 -65.7 -50.1 -41.7 51.0 3.8 520 317 C I H < S+ 0 0 2 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.846 113.7 44.9 -51.0 -37.9 -39.8 48.9 6.4 521 318 C V H < S+ 0 0 12 -4,-2.0 -1,-0.2 -5,-0.1 -2,-0.2 0.926 128.1 18.6 -77.3 -47.4 -40.2 51.9 8.8 522 319 C N H < S+ 0 0 100 -4,-2.3 -3,-0.2 -5,-0.2 -2,-0.2 0.847 107.7 73.4 -98.8 -39.0 -43.8 52.9 8.3 523 320 C E S < S- 0 0 92 -4,-1.9 0, 0.0 -5,-0.4 0, 0.0 -0.434 92.3 -88.3 -79.4 153.5 -45.7 50.0 6.7 524 321 C P - 0 0 83 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.302 50.5-104.9 -58.2 141.7 -46.7 46.8 8.6 525 322 C P - 0 0 46 0, 0.0 2,-0.1 0, 0.0 17,-0.0 0.076 44.9 -75.7 -61.8 171.8 -44.1 44.0 8.6 526 323 C P - 0 0 7 0, 0.0 2,-0.4 0, 0.0 19,-0.1 -0.385 45.5-153.1 -68.9 149.7 -44.3 40.7 6.5 527 324 C K - 0 0 171 -34,-0.1 11,-0.0 -3,-0.1 3,-0.0 -0.981 19.0-115.4-128.6 139.4 -46.6 38.0 7.6 528 325 C L - 0 0 5 -2,-0.4 2,-0.1 10,-0.1 5,-0.1 -0.585 46.2-102.2 -69.0 128.1 -46.5 34.2 7.0 529 326 C P > - 0 0 44 0, 0.0 4,-0.7 0, 0.0 3,-0.4 -0.339 42.3-123.5 -54.3 118.4 -49.4 33.2 4.8 530 327 C S T 4 S+ 0 0 79 1,-0.2 2,-2.2 2,-0.2 4,-0.1 -0.046 88.5 28.3 -59.8 167.2 -52.0 31.6 7.1 531 328 C A T 4 S+ 0 0 95 2,-0.4 -1,-0.2 1,-0.2 4,-0.1 -0.295 111.5 67.6 77.8 -53.9 -53.3 28.1 6.5 532 329 C V T 4 S+ 0 0 94 -2,-2.2 2,-0.3 -3,-0.4 -1,-0.2 0.715 105.6 42.0 -71.2 -22.0 -50.0 27.0 4.9 533 330 C F S < S- 0 0 29 -4,-0.7 -2,-0.4 -5,-0.1 -1,-0.0 -0.932 95.4 -96.4-127.1 151.1 -48.1 27.3 8.2 534 331 C S > - 0 0 29 -2,-0.3 4,-2.1 1,-0.1 5,-0.1 -0.273 28.3-127.5 -60.2 148.1 -48.9 26.4 11.8 535 332 C L H > S+ 0 0 121 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.813 110.4 61.1 -68.0 -28.6 -50.3 29.2 13.9 536 333 C E H > S+ 0 0 82 2,-0.2 4,-1.3 1,-0.2 27,-0.4 0.953 107.4 42.7 -58.9 -51.5 -47.6 28.4 16.4 537 334 C F H > S+ 0 0 0 2,-0.2 4,-1.7 1,-0.2 5,-0.3 0.898 109.9 56.5 -63.6 -45.3 -44.9 29.2 13.9 538 335 C Q H X S+ 0 0 27 -4,-2.1 4,-2.7 1,-0.3 5,-0.2 0.955 105.2 52.1 -51.0 -53.6 -46.6 32.3 12.6 539 336 C D H X S+ 0 0 61 -4,-2.3 4,-2.1 2,-0.2 -1,-0.3 0.854 105.7 59.0 -51.3 -37.4 -46.7 33.7 16.1 540 337 C F H >X S+ 0 0 0 -4,-1.3 3,-1.3 2,-0.2 4,-0.9 0.990 109.3 37.7 -57.3 -70.1 -42.9 33.0 16.2 541 338 C V H >X S+ 0 0 0 -4,-1.7 4,-2.1 1,-0.3 3,-1.2 0.867 114.6 59.1 -50.2 -39.1 -41.9 35.2 13.3 542 339 C N H 3< S+ 0 0 71 -4,-2.7 -1,-0.3 -5,-0.3 -2,-0.2 0.873 100.8 54.3 -56.9 -40.0 -44.5 37.7 14.4 543 340 C K H << S+ 0 0 68 -4,-2.1 10,-2.0 -3,-1.3 -1,-0.3 0.663 111.4 46.3 -70.3 -16.7 -42.8 38.0 17.8 544 341 C C H << S+ 0 0 0 -3,-1.2 -2,-0.2 -4,-0.9 -1,-0.2 0.788 107.4 55.1 -91.7 -34.3 -39.5 38.8 16.0 545 342 C L < + 0 0 6 -4,-2.1 2,-0.7 -5,-0.2 -2,-0.2 0.094 68.3 134.7 -92.9 22.7 -41.0 41.3 13.5 546 343 C I - 0 0 43 -3,-0.2 6,-0.2 1,-0.2 -68,-0.1 -0.641 53.3-144.2 -70.5 114.5 -42.5 43.6 16.2 547 344 C K S S+ 0 0 55 -2,-0.7 -1,-0.2 4,-0.1 -83,-0.1 0.729 79.4 78.0 -61.5 -23.0 -41.4 46.9 14.9 548 345 C N S > S- 0 0 64 1,-0.2 4,-1.3 -85,-0.1 -2,-0.1 -0.785 73.9-147.0 -91.3 121.4 -40.9 48.4 18.4 549 346 C P T >4 S+ 0 0 32 0, 0.0 3,-1.2 0, 0.0 -1,-0.2 0.933 95.8 43.5 -48.7 -62.7 -37.6 47.2 20.0 550 347 C A T 34 S+ 0 0 83 1,-0.3 4,-0.1 4,-0.0 -2,-0.0 0.895 115.7 48.2 -53.9 -46.5 -38.8 47.1 23.6 551 348 C E T 34 S+ 0 0 134 2,-0.1 -1,-0.3 -5,-0.0 3,-0.1 0.663 95.8 98.8 -70.4 -15.8 -42.1 45.4 22.8 552 349 C R S << S- 0 0 2 -4,-1.3 -8,-0.2 -3,-1.2 -9,-0.1 -0.339 87.4 -91.5 -73.5 155.4 -40.2 42.9 20.6 553 350 C A - 0 0 0 -10,-2.0 2,-0.2 -79,-0.1 -1,-0.1 -0.354 37.2-138.6 -67.4 141.6 -39.4 39.4 22.0 554 351 C D > - 0 0 58 -3,-0.1 4,-1.8 1,-0.1 5,-0.3 -0.494 36.2 -92.2 -92.4 170.7 -36.1 38.9 23.7 555 352 C L H > S+ 0 0 6 1,-0.2 4,-0.8 2,-0.2 -146,-0.1 0.592 126.0 55.5 -62.0 -7.7 -33.9 35.8 23.3 556 353 C K H > S+ 0 0 153 2,-0.2 4,-1.5 3,-0.1 3,-0.3 0.937 102.2 48.4 -84.2 -65.3 -35.7 34.4 26.2 557 354 C Q H 4 S+ 0 0 85 1,-0.3 3,-0.4 2,-0.2 -2,-0.2 0.858 117.0 47.1 -41.2 -43.5 -39.4 34.6 25.2 558 355 C L H >< S+ 0 0 1 -4,-1.8 3,-1.8 1,-0.2 6,-0.3 0.906 104.3 58.3 -68.7 -43.9 -38.3 33.0 21.9 559 356 C M H 3< S+ 0 0 65 -4,-0.8 -1,-0.2 -3,-0.3 -2,-0.2 0.741 118.8 33.1 -58.9 -24.0 -36.2 30.2 23.4 560 357 C V T 3< S+ 0 0 84 -4,-1.5 -1,-0.3 -3,-0.4 -2,-0.2 0.108 90.2 132.0-120.2 18.2 -39.3 29.1 25.3 561 358 C H S <> S- 0 0 15 -3,-1.8 4,-2.8 -5,-0.2 5,-0.3 -0.458 71.0-111.2 -74.9 145.0 -41.9 30.0 22.6 562 359 C A H > S+ 0 0 50 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.834 118.7 49.0 -41.5 -44.5 -44.5 27.4 21.7 563 360 C F H > S+ 0 0 0 -27,-0.4 4,-2.2 2,-0.2 5,-0.3 0.955 111.3 46.8 -64.3 -52.5 -42.9 27.0 18.3 564 361 C I H > S+ 0 0 8 -6,-0.3 4,-1.5 1,-0.2 -2,-0.2 0.903 110.0 54.9 -56.6 -43.8 -39.4 26.6 19.5 565 362 C K H X S+ 0 0 134 -4,-2.8 4,-0.5 2,-0.2 -1,-0.2 0.903 111.1 45.8 -56.7 -43.2 -40.6 24.1 22.1 566 363 C R H >X S+ 0 0 67 -4,-1.7 3,-2.3 -5,-0.3 4,-1.1 0.987 110.8 47.7 -64.8 -62.0 -42.2 22.0 19.4 567 364 C S H 3< S+ 0 0 0 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.730 101.6 67.2 -56.2 -24.7 -39.4 21.9 16.8 568 365 C D H 3< S+ 0 0 98 -4,-1.5 -1,-0.3 -5,-0.3 -2,-0.2 0.784 112.1 32.5 -68.3 -25.9 -36.9 21.0 19.4 569 366 C A H << S+ 0 0 83 -3,-2.3 2,-0.7 -4,-0.5 -1,-0.2 0.505 92.3 114.2-103.9 -9.8 -38.6 17.6 19.9 570 367 C E S < S- 0 0 53 -4,-1.1 2,-0.6 1,-0.1 -171,-0.1 -0.516 70.0-130.9 -71.4 106.8 -39.7 17.3 16.3 571 368 C E + 0 0 194 -2,-0.7 2,-0.5 2,-0.1 -1,-0.1 -0.429 37.2 174.1 -62.0 108.8 -37.8 14.4 14.8 572 369 C V - 0 0 33 -2,-0.6 2,-2.6 -5,-0.1 3,-0.2 -0.974 37.4-143.1-127.6 122.7 -36.3 15.7 11.6 573 370 C D > + 0 0 136 -2,-0.5 4,-2.3 1,-0.2 5,-0.5 -0.424 39.0 166.5 -75.3 65.0 -33.9 13.9 9.2 574 371 C F H > S+ 0 0 24 -2,-2.6 4,-2.9 1,-0.2 -1,-0.2 0.946 72.2 36.5 -47.3 -76.4 -32.2 17.3 8.6 575 372 C A H > S+ 0 0 31 -3,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.793 115.6 63.7 -49.6 -30.1 -29.0 16.1 6.9 576 373 C G H 4 S+ 0 0 40 2,-0.2 3,-0.3 1,-0.2 -2,-0.2 0.995 112.4 27.4 -58.3 -74.0 -31.1 13.5 5.3 577 374 C W H >< S+ 0 0 99 -4,-2.3 3,-1.5 1,-0.2 6,-0.2 0.798 114.7 71.4 -59.8 -29.0 -33.5 15.6 3.2 578 375 C L H >X S+ 0 0 7 -4,-2.9 4,-1.8 -5,-0.5 3,-1.6 0.969 102.5 38.7 -47.9 -61.9 -30.7 18.2 3.1 579 376 C C T 3< S+ 0 0 40 -4,-2.3 -1,-0.3 -3,-0.3 -2,-0.2 0.332 107.7 69.7 -75.7 9.2 -28.6 16.0 0.8 580 377 C S T <4 S+ 0 0 92 -3,-1.5 -1,-0.3 -4,-0.1 -2,-0.2 0.193 108.2 32.4-107.7 11.6 -31.9 15.2 -1.0 581 378 C T T <4 S+ 0 0 47 -3,-1.6 -2,-0.2 2,-0.2 -3,-0.1 0.550 136.6 20.6-130.4 -43.9 -32.3 18.7 -2.4 582 379 C I S < S- 0 0 52 -4,-1.8 -3,-0.2 1,-0.3 2,-0.1 0.419 99.6-148.9-105.4 -4.2 -28.8 19.9 -3.0 583 380 C G 0 0 28 -5,-0.5 -1,-0.3 -6,-0.2 -2,-0.2 -0.398 360.0 360.0 72.8-147.3 -27.4 16.4 -3.1 584 381 C L 0 0 130 -2,-0.1 -1,-0.1 -4,-0.1 -5,-0.1 -0.382 360.0 360.0 57.7 360.0 -23.8 15.7 -1.9