==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-DEC-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 30-MAR-11 3RCD . COMPND 2 MOLECULE: RECEPTOR TYROSINE-PROTEIN KINASE ERBB-2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR K.AERTGEERTS,R.SKENE,S.SOGABE . 1104 18 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 55847.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 750 67.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 18 1.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 166 15.0 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 . 4 0.4 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 . 4 0.4 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 . 98 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 140 12.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 301 27.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 1.3 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 4 6 7 3 0 4 0 4 0 0 0 4 0 0 0 4 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 6 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 PARALLEL BRIDGES PER LADDER . 8 4 2 4 8 0 4 2 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 . 2 0 4 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 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 1 710 A A 0 0 105 0, 0.0 2,-0.3 0, 0.0 60,-0.1 0.000 360.0 360.0 360.0 127.1 0.5 -9.1 44.6 2 711 A L - 0 0 154 58,-0.3 2,-0.3 2,-0.0 61,-0.1 -0.965 360.0-134.6-162.8 176.1 3.8 -7.4 45.7 3 712 A L - 0 0 102 -2,-0.3 2,-0.7 60,-0.0 72,-0.1 -1.000 12.0-134.1-148.1 137.1 6.4 -4.8 44.7 4 713 A R - 0 0 97 -2,-0.3 72,-2.4 70,-0.1 2,-0.5 -0.818 17.6-157.7-103.6 109.9 10.2 -4.5 44.8 5 714 A I E -a 76 0A 93 -2,-0.7 2,-0.5 70,-0.2 72,-0.2 -0.721 4.2-160.6 -88.2 122.7 11.8 -1.3 46.2 6 715 A L E -a 77 0A 2 70,-3.7 72,-0.6 -2,-0.5 2,-0.4 -0.867 7.4-147.1 -99.7 133.0 15.3 -0.5 45.1 7 716 A K >> - 0 0 91 -2,-0.5 3,-2.3 70,-0.2 4,-0.6 -0.827 26.0-115.2 -97.1 141.9 17.4 1.9 47.2 8 717 A E G >4 S+ 0 0 127 -2,-0.4 3,-0.7 1,-0.3 -1,-0.1 0.738 107.3 73.4 -48.5 -36.9 19.9 4.1 45.3 9 718 A T G 34 S+ 0 0 90 1,-0.3 -1,-0.3 3,-0.0 -3,-0.0 0.774 99.0 49.8 -49.4 -31.8 23.0 2.6 47.0 10 719 A E G <4 S+ 0 0 15 -3,-2.3 21,-1.6 1,-0.1 2,-0.8 0.882 95.2 79.0 -72.6 -41.6 22.4 -0.4 44.8 11 720 A L E << S-B 30 0A 19 -3,-0.7 2,-0.3 -4,-0.6 19,-0.2 -0.596 72.7-172.6 -81.3 105.4 22.0 1.6 41.6 12 721 A R E +B 29 0A 132 17,-3.2 17,-3.3 -2,-0.8 -3,-0.0 -0.716 43.5 3.9-115.7 153.7 25.5 2.4 40.4 13 722 A K E S- 0 0 161 -2,-0.3 2,-0.6 15,-0.2 -1,-0.2 0.959 74.5-164.8 44.9 77.9 27.4 4.4 37.8 14 723 A V E + 0 0 67 -3,-0.2 2,-0.3 14,-0.2 14,-0.2 -0.816 14.4 174.2-109.6 118.2 24.4 6.1 36.2 15 724 A K E -B 27 0A 91 12,-1.9 12,-2.3 -2,-0.6 2,-0.1 -0.898 30.1-105.6-124.5 144.8 24.5 7.9 32.9 16 725 A V E +B 26 0A 92 -2,-0.3 10,-0.3 10,-0.3 3,-0.1 -0.353 27.3 174.4 -72.1 142.6 21.8 9.5 30.7 17 726 A L E - 0 0 70 8,-3.8 2,-0.3 1,-0.3 9,-0.2 0.744 63.2 -26.1-102.5 -68.2 20.4 8.1 27.4 18 727 A G E -B 25 0A 34 7,-1.3 7,-2.4 8,-0.0 2,-1.0 -1.000 41.7-125.9-155.5 150.8 17.6 10.5 26.5 19 728 A S E -B 24 0A 102 -2,-0.3 5,-0.3 5,-0.2 2,-0.1 -0.806 39.6-179.4 -96.8 91.4 15.0 12.9 27.6 20 729 A G E > -B 23 0A 41 3,-1.7 3,-0.5 -2,-1.0 -2,-0.0 -0.349 42.8-101.4 -81.1 169.8 11.7 11.6 26.2 21 730 A A T 3 S+ 0 0 104 1,-0.2 3,-0.1 -2,-0.1 26,-0.1 0.870 124.0 50.7 -62.0 -38.6 8.3 13.3 26.7 22 731 A F T 3 S- 0 0 79 1,-0.2 25,-0.9 25,-0.1 2,-0.3 0.705 129.3 -78.5 -72.6 -20.4 7.3 10.9 29.4 23 732 A G E < -BC 20 46A 7 -3,-0.5 -3,-1.7 23,-0.2 2,-0.3 -0.994 62.8 -38.7 157.8-155.7 10.6 11.6 31.2 24 733 A T E -BC 19 45A 33 21,-2.2 21,-2.4 -2,-0.3 2,-0.4 -0.747 39.2-153.0-105.1 150.1 14.3 10.8 31.2 25 734 A V E +BC 18 44A 38 -7,-2.4 -8,-3.8 -2,-0.3 -7,-1.3 -0.993 18.8 171.0-125.4 129.1 16.1 7.5 30.5 26 735 A Y E -BC 16 43A 73 17,-2.5 17,-0.9 -2,-0.4 2,-0.3 -0.483 20.2-136.3-117.1-175.4 19.5 6.6 32.0 27 736 A K E +BC 15 42A 28 -12,-2.3 -12,-1.9 15,-0.2 2,-0.3 -0.951 32.0 135.2-139.7 164.2 21.7 3.5 32.2 28 737 A G E - C 0 41A 2 13,-1.4 13,-2.8 -2,-0.3 2,-0.4 -0.991 48.2 -76.4 176.7-178.6 23.7 1.9 34.9 29 738 A I E -BC 12 40A 31 -17,-3.3 -17,-3.2 -2,-0.3 2,-0.5 -0.873 34.8-149.0-106.2 138.8 24.8 -1.2 36.9 30 739 A W E -BC 11 39A 0 9,-2.5 9,-2.1 -2,-0.4 -19,-0.2 -0.924 13.0-177.1-110.3 124.5 22.6 -2.8 39.5 31 740 A I - 0 0 38 -21,-1.6 7,-0.1 -2,-0.5 3,-0.1 -0.748 14.1-158.9-119.6 84.1 24.1 -4.5 42.5 32 741 A P - 0 0 1 0, 0.0 3,-0.3 0, 0.0 2,-0.1 -0.279 31.2 -98.9 -56.8 146.8 21.2 -6.1 44.6 33 742 A D S S+ 0 0 103 1,-0.2 3,-0.1 3,-0.1 4,-0.0 -0.438 102.0 10.1 -74.0 141.0 22.1 -6.8 48.2 34 743 A G S S+ 0 0 86 1,-0.2 2,-0.5 -2,-0.1 -1,-0.2 -0.004 109.7 96.4 82.9 -30.1 23.2 -10.2 49.3 35 744 A E - 0 0 66 -3,-0.3 -1,-0.2 1,-0.1 0, 0.0 -0.811 68.7-149.4 -94.1 127.6 23.4 -11.2 45.6 36 745 A N + 0 0 166 -2,-0.5 -1,-0.1 -3,-0.1 -3,-0.1 0.477 59.2 118.6 -77.1 -0.1 26.9 -11.0 44.2 37 746 A V - 0 0 62 -5,-0.1 2,-0.4 -4,-0.0 -2,-0.1 -0.248 52.6-151.9 -71.7 149.6 25.5 -10.1 40.7 38 747 A K - 0 0 155 -7,-0.1 -7,-0.2 -9,-0.0 -2,-0.1 -0.989 19.1-165.9-113.8 132.3 26.1 -7.0 38.7 39 748 A I E -C 30 0A 5 -9,-2.1 -9,-2.5 -2,-0.4 2,-0.5 -0.965 19.8-136.1-131.0 123.1 23.2 -6.1 36.3 40 749 A P E -C 29 0A 20 0, 0.0 48,-3.6 0, 0.0 2,-0.3 -0.610 40.4-177.7 -75.8 119.3 23.1 -3.6 33.4 41 750 A V E -CD 28 87A 0 -13,-2.8 -13,-1.4 -2,-0.5 2,-0.5 -0.778 32.0-134.3-124.8 157.1 19.8 -1.8 33.7 42 751 A A E -CD 27 86A 18 44,-5.2 44,-2.6 -2,-0.3 2,-0.5 -0.964 24.6-161.4-108.7 126.5 17.6 0.8 32.1 43 752 A I E -CD 26 85A 1 -17,-0.9 -17,-2.5 -2,-0.5 2,-0.4 -0.935 4.3-166.1-113.2 119.4 16.2 3.4 34.5 44 753 A K E -CD 25 84A 49 40,-2.9 40,-3.3 -2,-0.5 2,-0.5 -0.886 2.7-172.4-102.5 136.7 13.2 5.6 33.6 45 754 A V E -CD 24 83A 16 -21,-2.4 -21,-2.2 -2,-0.4 38,-0.2 -0.928 15.0-162.9-128.0 104.8 12.4 8.7 35.7 46 755 A L E C 23 0A 56 36,-1.0 -23,-0.2 -2,-0.5 36,-0.1 0.066 360.0 360.0 -80.5-171.4 9.0 10.3 34.8 47 756 A R 0 0 246 -25,-0.9 -1,-0.1 -26,-0.1 -24,-0.1 0.597 360.0 360.0-128.0 360.0 7.5 13.7 35.5 48 ! 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 49 761 A P > 0 0 153 0, 0.0 3,-0.8 0, 0.0 4,-0.5 0.000 360.0 360.0 360.0 -50.2 -3.4 14.5 41.2 50 762 A K T 3 + 0 0 164 1,-0.2 4,-0.2 2,-0.2 0, 0.0 0.176 360.0 79.7 -91.6 16.8 -5.1 11.2 40.2 51 763 A A T 3> S+ 0 0 65 2,-0.1 4,-0.6 3,-0.1 -1,-0.2 0.795 89.9 55.2 -80.4 -35.9 -2.4 10.4 37.7 52 764 A N T X4 S+ 0 0 107 -3,-0.8 3,-1.1 1,-0.2 -2,-0.2 0.873 101.3 53.6 -67.3 -43.3 -0.2 9.1 40.6 53 765 A K T >> S+ 0 0 153 -4,-0.5 3,-1.0 1,-0.3 4,-0.7 0.751 103.4 60.9 -63.5 -24.7 -2.6 6.6 42.0 54 766 A E H 3> S+ 0 0 79 1,-0.2 4,-1.3 -3,-0.2 -1,-0.3 0.789 88.1 73.1 -67.8 -29.8 -2.7 5.3 38.5 55 767 A I H S+ 0 0 107 -3,-1.0 4,-2.1 2,-0.1 5,-0.3 0.908 105.8 42.4 -90.2 -70.3 0.2 1.6 41.2 57 769 A D H X S+ 0 0 83 -4,-0.7 4,-0.9 1,-0.2 -2,-0.1 0.767 113.2 60.7 -54.7 -30.7 -2.3 -0.7 39.5 58 770 A E H >< S+ 0 0 32 -4,-1.3 3,-0.8 1,-0.2 -1,-0.2 0.992 113.3 29.2 -52.0 -72.5 -0.2 -0.2 36.4 59 771 A A H >< S+ 0 0 15 -4,-0.5 3,-0.6 1,-0.3 -2,-0.2 0.529 108.4 70.4 -79.3 -12.1 3.2 -1.6 37.5 60 772 A Y H >< S+ 0 0 107 -4,-2.1 3,-2.2 1,-0.2 -58,-0.3 0.846 91.1 61.9 -67.4 -36.5 1.7 -4.1 40.0 61 773 A V T << S+ 0 0 45 -4,-0.9 -1,-0.2 -3,-0.8 -2,-0.2 0.585 86.4 77.9 -60.2 -11.2 0.5 -5.9 36.9 62 774 A M T < S+ 0 0 41 -3,-0.6 -1,-0.3 -4,-0.1 4,-0.2 0.498 74.4 91.2 -83.1 -5.3 4.3 -6.2 36.3 63 775 A A S < S+ 0 0 55 -3,-2.2 2,-0.2 2,-0.1 -60,-0.0 -0.513 71.9 52.0 -71.8 157.5 4.3 -9.0 38.9 64 776 A G S S- 0 0 56 -2,-0.2 2,-0.9 2,-0.1 -2,-0.0 -0.706 103.9 -31.8 110.2-161.9 3.8 -12.4 37.3 65 777 A V - 0 0 112 -2,-0.2 -2,-0.1 7,-0.0 -1,-0.0 -0.720 58.6-149.8-108.8 86.1 5.4 -14.3 34.4 66 778 A G - 0 0 21 -2,-0.9 6,-0.1 -4,-0.2 -2,-0.1 -0.181 20.1-114.5 -56.0 135.9 6.7 -11.9 31.7 67 779 A S > - 0 0 9 53,-0.1 3,-2.8 1,-0.1 -1,-0.1 -0.413 22.8-114.2 -68.7 145.9 6.8 -13.2 28.1 68 780 A P T 3 S+ 0 0 76 0, 0.0 -1,-0.1 0, 0.0 52,-0.1 0.672 120.2 49.0 -49.7 -18.4 10.2 -13.7 26.3 69 781 A Y T 3 S+ 0 0 44 79,-0.1 80,-2.2 50,-0.1 2,-0.4 0.254 97.7 82.1-113.1 9.5 9.0 -10.9 24.0 70 782 A V B < S-f 149 0B 7 -3,-2.8 2,-0.3 78,-0.3 80,-0.2 -0.968 82.8-116.7-119.1 132.2 7.9 -8.4 26.7 71 783 A S - 0 0 9 78,-2.9 2,-0.5 -2,-0.4 -4,-0.1 -0.465 35.0-144.7 -64.5 124.8 10.2 -6.0 28.6 72 784 A R - 0 0 86 -2,-0.3 15,-0.7 -6,-0.1 2,-0.2 -0.844 4.5-130.9-105.7 124.6 10.1 -7.1 32.3 73 785 A L E - E 0 86A 39 -2,-0.5 13,-0.2 13,-0.1 3,-0.1 -0.444 13.7-167.6 -70.3 137.1 10.2 -4.6 35.1 74 786 A L E - 0 0 29 11,-2.8 2,-0.3 1,-0.4 12,-0.2 0.864 53.0 -75.5 -91.0 -43.3 12.7 -5.3 37.9 75 787 A G E - E 0 85A 3 10,-1.2 10,-2.6 -72,-0.1 2,-0.4 -0.960 47.8 -77.2 162.5-173.0 11.6 -2.8 40.5 76 788 A I E -aE 5 84A 11 -72,-2.4 -70,-3.7 -2,-0.3 2,-0.6 -0.935 13.3-152.3-128.4 134.7 11.6 0.8 41.6 77 789 A C E -aE 6 83A 2 6,-2.1 6,-2.7 -2,-0.4 2,-0.6 -0.932 18.3-161.3 -98.5 119.6 13.9 3.3 43.1 78 790 A L E + E 0 82A 106 -72,-0.6 4,-0.2 -2,-0.6 -70,-0.2 -0.913 30.7 141.0-102.1 116.1 12.0 6.0 45.0 79 791 A T S S- 0 0 65 2,-2.4 -1,-0.1 -2,-0.6 3,-0.1 0.385 89.1 -50.9-110.5-109.8 14.0 9.2 45.6 80 792 A S S S+ 0 0 123 -2,-0.0 2,-0.3 1,-0.0 -2,-0.1 0.303 135.9 43.0-105.0 -1.0 12.0 12.4 45.3 81 793 A T S S- 0 0 66 -4,-0.1 -2,-2.4 2,-0.0 2,-0.7 -0.928 95.2 -99.1-136.6 165.4 11.0 10.9 41.9 82 794 A V E - E 0 78A 46 -2,-0.3 -36,-1.0 -4,-0.2 2,-0.6 -0.743 33.0-170.9 -90.9 113.6 9.9 7.5 40.6 83 795 A Q E -DE 45 77A 38 -6,-2.7 -6,-2.1 -2,-0.7 2,-0.5 -0.913 6.6-158.7-106.9 119.2 12.6 5.5 38.9 84 796 A L E -DE 44 76A 40 -40,-3.3 -40,-2.9 -2,-0.6 2,-0.5 -0.859 12.5-154.2 -96.3 133.4 11.5 2.4 37.1 85 797 A V E +DE 43 75A 0 -10,-2.6 -11,-2.8 -2,-0.5 -10,-1.2 -0.910 20.7 161.9-117.8 132.6 14.3 -0.1 36.6 86 798 A T E -DE 42 73A 19 -44,-2.6 -44,-5.2 -2,-0.5 -13,-0.1 -0.972 46.0 -85.1-143.1 152.6 14.5 -2.7 33.9 87 799 A Q E -D 41 0A 18 -15,-0.7 2,-0.4 -2,-0.3 -46,-0.3 -0.294 52.8-106.8 -57.5 141.3 17.3 -4.9 32.4 88 800 A L - 0 0 12 -48,-3.6 -1,-0.1 -60,-0.2 -61,-0.0 -0.603 20.8-140.7 -78.6 125.8 19.3 -3.1 29.6 89 801 A M > - 0 0 10 -2,-0.4 3,-1.9 1,-0.1 52,-0.2 -0.797 13.3-145.5 -84.3 112.4 18.7 -4.2 26.1 90 802 A P T 3 S+ 0 0 14 0, 0.0 183,-0.2 0, 0.0 52,-0.2 0.704 92.0 49.7 -54.9 -31.2 22.2 -4.2 24.4 91 803 A Y T 3 S- 0 0 49 50,-2.2 178,-0.2 1,-0.3 6,-0.1 0.147 97.1-144.3-101.8 20.0 21.0 -3.1 20.9 92 804 A G < - 0 0 7 -3,-1.9 49,-3.0 49,-0.2 -1,-0.3 -0.143 53.4 -3.3 59.6-146.4 18.9 -0.2 22.0 93 805 A C B > -G 140 0B 34 47,-0.2 4,-1.8 1,-0.1 47,-0.3 -0.530 58.9-132.3 -88.2 147.2 15.7 0.7 20.2 94 806 A L H > S+ 0 0 0 45,-3.5 4,-3.0 42,-0.4 5,-0.3 0.892 101.2 57.1 -65.0 -48.2 14.4 -1.1 17.1 95 807 A L H > S+ 0 0 22 41,-0.7 4,-2.8 44,-0.3 5,-0.2 0.941 110.0 45.9 -48.8 -54.6 13.5 2.0 15.0 96 808 A D H > S+ 0 0 80 1,-0.2 4,-3.3 2,-0.2 5,-0.3 0.940 113.0 53.8 -49.8 -47.1 17.1 3.2 15.3 97 809 A H H X S+ 0 0 2 -4,-1.8 4,-1.6 1,-0.2 -2,-0.2 0.912 111.3 41.1 -59.2 -49.1 18.1 -0.4 14.5 98 810 A V H < S+ 0 0 0 -4,-3.0 4,-0.4 2,-0.2 -1,-0.2 0.869 116.3 52.2 -69.6 -34.7 16.1 -0.7 11.3 99 811 A R H >< S+ 0 0 101 -4,-2.8 3,-1.0 -5,-0.3 -2,-0.2 0.938 112.9 43.3 -60.3 -50.7 17.1 2.8 10.3 100 812 A E H 3< S+ 0 0 65 -4,-3.3 3,-0.3 1,-0.2 -2,-0.2 0.773 116.8 48.7 -69.4 -24.5 20.8 2.2 10.8 101 813 A N T 3X + 0 0 0 -4,-1.6 4,-2.1 -5,-0.3 -1,-0.2 0.319 67.6 124.1-102.3 10.1 20.5 -1.2 9.1 102 814 A R T <4 S+ 0 0 142 -3,-1.0 -1,-0.2 -4,-0.4 -2,-0.1 0.804 79.6 43.6 -34.1 -50.9 18.6 -0.2 5.9 103 815 A G T 4 S+ 0 0 60 -3,-0.3 -1,-0.2 1,-0.2 -2,-0.1 0.942 117.8 37.8 -65.3 -54.0 21.4 -1.7 3.7 104 816 A R T 4 S+ 0 0 149 -3,-0.2 -2,-0.2 162,-0.1 -1,-0.2 0.715 88.5 111.1 -79.4 -24.1 22.2 -5.0 5.3 105 817 A L < - 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0 0 62 0, 0.0 16,-0.0 0, 0.0 -1,-0.0 -0.951 44.7 -75.5-144.3 161.8 -31.9 -36.7 -4.5 1059 941 D L - 0 0 5 -2,-0.3 2,-0.0 1,-0.1 -28,-0.0 -0.268 56.6-112.5 -59.4 144.7 -28.1 -36.2 -4.5 1060 942 D P - 0 0 83 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.274 38.7 -75.5 -84.3 165.6 -26.8 -34.5 -1.3 1061 943 D Q - 0 0 84 1,-0.1 6,-0.1 2,-0.1 -30,-0.0 -0.324 49.5-116.1 -57.3 125.2 -25.2 -31.1 -0.9 1062 944 D P > - 0 0 1 0, 0.0 3,-2.5 0, 0.0 -27,-0.1 -0.501 28.9-115.5 -60.4 137.9 -21.6 -30.9 -2.2 1063 945 D P T 3 S+ 0 0 116 0, 0.0 -28,-0.1 0, 0.0 -2,-0.1 0.665 114.5 49.8 -53.1 -19.7 -19.4 -30.2 0.8 1064 946 D I T 3 S+ 0 0 20 -30,-0.5 42,-1.8 2,-0.1 2,-0.3 0.489 90.1 99.7 -99.7 -8.4 -18.4 -26.9 -0.7 1065 947 D C B < -N 1105 0N 9 -3,-2.5 2,-0.3 40,-0.2 40,-0.2 -0.633 62.4-143.7 -83.6 134.3 -21.9 -25.6 -1.5 1066 948 D T >> - 0 0 35 38,-1.5 4,-1.1 -2,-0.3 3,-0.7 -0.680 41.7 -99.7 -82.5 153.6 -23.8 -23.1 0.7 1067 949 D I H 3> S+ 0 0 91 -2,-0.3 4,-1.5 1,-0.2 5,-0.2 0.723 118.8 68.4 -49.1 -27.8 -27.5 -23.9 0.8 1068 950 D D H >> S+ 0 0 73 1,-0.2 3,-1.1 2,-0.2 4,-0.9 0.969 100.4 44.1 -55.2 -62.1 -28.1 -21.2 -1.9 1069 951 D V H <> S+ 0 0 0 -3,-0.7 4,-1.6 35,-0.4 3,-0.2 0.785 113.6 54.3 -51.7 -33.9 -26.3 -23.0 -4.8 1070 952 D Y H 3X S+ 0 0 39 -4,-1.1 4,-2.1 1,-0.2 -1,-0.3 0.723 97.8 60.1 -81.8 -25.8 -28.0 -26.2 -3.7 1071 953 D M H X S+ 0 0 18 -4,-0.9 4,-0.8 -3,-0.2 3,-0.6 0.962 110.5 47.4 -71.1 -59.1 -31.0 -24.0 -7.5 1073 955 D M H >X S+ 0 0 2 -4,-1.6 3,-0.9 1,-0.2 4,-0.9 0.849 108.5 55.6 -47.8 -44.6 -29.7 -27.6 -8.2 1074 956 D V H >< S+ 0 0 53 -4,-2.1 3,-0.7 1,-0.3 -1,-0.2 0.869 102.3 54.8 -63.7 -39.2 -32.7 -29.1 -6.3 1075 957 D K H X< S+ 0 0 102 -4,-0.9 3,-0.7 -3,-0.6 -1,-0.3 0.680 100.7 62.3 -68.4 -17.7 -35.3 -27.3 -8.5 1076 958 D C H << S+ 0 0 0 -3,-0.9 2,-0.3 -4,-0.8 -1,-0.2 0.846 98.1 57.4 -70.3 -33.3 -33.5 -28.8 -11.5 1077 959 D W T << S+ 0 0 1 -4,-0.9 -1,-0.2 -3,-0.7 2,-0.2 -0.151 79.1 144.8 -95.6 41.0 -34.4 -32.3 -10.2 1078 960 D M < - 0 0 61 -3,-0.7 -69,-0.2 -2,-0.3 6,-0.1 -0.533 48.1-148.3 -80.2 142.8 -38.2 -31.7 -10.1 1079 961 D I S S+ 0 0 80 -2,-0.2 2,-1.3 1,-0.2 -69,-0.2 0.949 93.3 70.0 -67.3 -52.8 -40.7 -34.4 -10.9 1080 962 D D S > S- 0 0 98 1,-0.2 3,-2.8 2,-0.1 4,-0.4 -0.554 82.3-154.0 -70.9 97.9 -43.1 -31.8 -12.3 1081 963 D S G > S+ 0 0 41 -2,-1.3 3,-0.7 1,-0.3 -1,-0.2 0.692 88.2 56.5 -49.8 -29.2 -41.0 -31.0 -15.4 1082 964 D E G 3 S+ 0 0 135 1,-0.2 -1,-0.3 -3,-0.0 -2,-0.1 0.568 94.7 65.6 -85.8 -8.5 -42.5 -27.4 -15.7 1083 965 D C G < S+ 0 0 73 -3,-2.8 -1,-0.2 2,-0.1 -2,-0.2 0.555 81.1 102.4 -81.3 -10.7 -41.4 -26.6 -12.1 1084 966 D R S < S- 0 0 7 -3,-0.7 -8,-0.2 -4,-0.4 -61,-0.1 -0.584 83.6-106.0 -74.2 133.8 -37.8 -26.9 -13.4 1085 967 D P - 0 0 13 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.062 32.0-105.7 -59.5 158.8 -36.1 -23.5 -14.1 1086 968 D R > - 0 0 134 1,-0.1 4,-2.1 -4,-0.0 5,-0.1 -0.496 18.7-127.1 -80.4 153.9 -35.5 -22.1 -17.6 1087 969 D F H > S+ 0 0 3 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.926 112.8 55.2 -68.3 -44.0 -32.1 -22.0 -19.1 1088 970 D R H > S+ 0 0 132 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.817 112.8 47.8 -52.6 -30.0 -32.3 -18.2 -19.8 1089 971 D E H > S+ 0 0 95 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.853 104.0 55.0 -83.0 -41.6 -33.0 -18.1 -16.1 1090 972 D L H X S+ 0 0 3 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.828 106.8 54.9 -63.0 -32.5 -30.2 -20.3 -14.8 1091 973 D V H X S+ 0 0 23 -4,-2.1 4,-1.3 2,-0.2 5,-0.3 0.962 107.2 49.5 -57.5 -52.2 -27.9 -17.9 -16.7 1092 974 D S H X S+ 0 0 81 -4,-1.1 4,-1.8 1,-0.2 -2,-0.2 0.824 114.7 45.0 -60.2 -35.1 -29.4 -15.0 -14.7 1093 975 D E H X S+ 0 0 46 -4,-2.0 4,-1.6 2,-0.2 -1,-0.2 0.952 113.6 45.3 -72.2 -54.9 -29.0 -16.8 -11.4 1094 976 D F H X S+ 0 0 2 -4,-2.5 4,-0.6 2,-0.2 -132,-0.2 0.553 115.2 50.3 -70.6 -11.0 -25.4 -18.1 -11.9 1095 977 D S H X S+ 0 0 18 -4,-1.3 4,-1.4 2,-0.2 3,-0.2 0.871 105.9 53.4 -85.1 -53.5 -24.4 -14.6 -13.2 1096 978 D R H < S+ 0 0 106 -4,-1.8 4,-0.5 -5,-0.3 -2,-0.2 0.832 118.2 40.1 -42.1 -36.6 -26.0 -12.9 -10.2 1097 979 D M H < S+ 0 0 2 -4,-1.6 -1,-0.3 1,-0.1 7,-0.2 0.753 99.8 74.1 -86.4 -29.5 -23.8 -15.4 -8.2 1098 980 D A H < S+ 0 0 5 -4,-0.6 -2,-0.2 -3,-0.2 -1,-0.1 0.880 90.0 59.7 -52.1 -45.5 -20.7 -15.1 -10.5 1099 981 D R S < S+ 0 0 75 -4,-1.4 -1,-0.2 1,-0.3 3,-0.2 0.937 116.2 27.1 -52.7 -63.5 -19.8 -11.6 -9.1 1100 982 D D S > S+ 0 0 30 -4,-0.5 4,-0.8 1,-0.2 -1,-0.3 -0.749 73.5 158.5-101.7 85.0 -19.4 -12.5 -5.5 1101 983 D P H > + 0 0 9 0, 0.0 4,-2.4 0, 0.0 3,-0.4 0.858 64.5 66.1 -76.5 -33.2 -18.3 -16.2 -5.7 1102 984 D Q H 4 S+ 0 0 87 1,-0.3 5,-0.1 2,-0.2 -2,-0.1 0.791 100.4 53.3 -60.7 -30.9 -16.7 -16.4 -2.3 1103 985 D R H 4 S+ 0 0 175 -3,-0.2 -1,-0.3 -6,-0.1 3,-0.1 0.897 114.6 38.4 -65.7 -43.9 -20.1 -15.9 -0.7 1104 986 D F H < S+ 0 0 18 -4,-0.8 -38,-1.5 -3,-0.4 2,-0.5 0.822 120.9 33.8 -89.8 -34.9 -21.8 -18.7 -2.5 1105 987 D V B < S-N 1065 0N 0 -4,-2.4 2,-0.4 -40,-0.2 -1,-0.2 -0.974 76.3-150.1-124.7 117.6 -19.2 -21.5 -2.7 1106 988 D V - 0 0 85 -42,-1.8 2,-0.4 -2,-0.5 -3,-0.1 -0.705 15.8-173.8 -95.2 134.5 -16.8 -21.9 0.2 1107 989 D I - 0 0 38 -2,-0.4 2,-0.4 -5,-0.1 -153,-0.1 -0.960 24.2-128.8-132.1 140.4 -13.3 -23.3 -0.3 1108 990 D Q 0 0 189 -2,-0.4 -44,-0.0 1,-0.1 -2,-0.0 -0.707 360.0 360.0 -82.2 135.5 -10.3 -24.3 1.9 1109 991 D N 0 0 195 -2,-0.4 -1,-0.1 -156,-0.0 -159,-0.0 0.665 360.0 360.0-116.3 360.0 -7.1 -22.7 0.8 1110 ! 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 1111 1000 D L 0 0 132 0, 0.0 2,-0.2 0, 0.0 -160,-0.0 0.000 360.0 360.0 360.0 125.3 -2.5 -23.9 -13.6 1112 1001 D D + 0 0 26 -174,-0.0 2,-0.2 -164,-0.0 -164,-0.1 -0.842 360.0 160.2-176.3 143.2 -2.5 -27.6 -14.5 1113 1002 D S > - 0 0 2 -2,-0.2 4,-1.8 -166,-0.1 5,-0.1 -0.826 31.4-143.0-157.9 131.2 -4.0 -30.5 -16.6 1114 1003 D T H > S+ 0 0 85 -2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.778 105.5 57.9 -58.9 -27.4 -2.3 -33.9 -17.4 1115 1004 D F H > S+ 0 0 56 2,-0.2 4,-1.6 -177,-0.2 -1,-0.2 0.987 103.9 45.9 -66.2 -62.2 -4.1 -33.5 -20.7 1116 1005 D Y H 4 S+ 0 0 87 1,-0.2 -2,-0.2 2,-0.2 -1,-0.2 0.849 117.1 50.5 -46.0 -39.5 -2.5 -30.2 -21.8 1117 1006 D R H >< S+ 0 0 166 -4,-1.8 3,-2.5 1,-0.2 -2,-0.2 0.972 107.5 47.0 -67.2 -60.6 0.7 -31.7 -20.6 1118 1007 D S H 3< S+ 0 0 86 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.688 105.3 68.8 -53.5 -18.2 0.6 -35.0 -22.5 1119 1008 D L T 3< S+ 0 0 37 -4,-1.6 2,-0.7 -5,-0.2 -1,-0.3 0.589 72.2 104.1 -78.0 -12.5 -0.4 -32.7 -25.4 1120 1009 D L < 0 0 130 -3,-2.5 -3,-0.0 -4,-0.2 -4,-0.0 -0.642 360.0 360.0 -82.9 112.3 3.1 -31.1 -25.7 1121 1010 D E 0 0 165 -2,-0.7 -1,-0.1 0, 0.0 -3,-0.0 -0.115 360.0 360.0-132.4 360.0 4.9 -32.6 -28.7