==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-FEB-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 14-APR-12 4EOK . COMPND 2 MOLECULE: CYCLIN-DEPENDENT KINASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR A.ECHALIER,E.COT,A.CAMASSES,E.HODIMONT,F.HOH,F.SHEINERMAN, . 1108 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 46396.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 722 65.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 0.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 83 7.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 3 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 53 4.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 135 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 412 37.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 1.2 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 8 2 1 5 1 1 2 1 3 2 4 2 6 3 0 1 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 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 . 1 4 2 1 1 4 2 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 . 2 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 0 A S 0 0 85 0, 0.0 3,-0.3 0, 0.0 69,-0.1 0.000 360.0 360.0 360.0 178.6 15.8 9.4 36.3 2 1 A M > + 0 0 29 1,-0.2 3,-2.3 2,-0.1 66,-0.0 -0.008 360.0 124.0-106.3 24.9 14.5 13.0 36.6 3 2 A E T 3 S+ 0 0 61 1,-0.3 -1,-0.2 3,-0.0 22,-0.1 0.870 77.3 51.1 -46.1 -39.5 15.1 13.1 40.4 4 3 A N T 3 S+ 0 0 28 -3,-0.3 21,-2.6 21,-0.1 2,-0.5 0.412 99.3 79.0 -85.2 0.6 17.2 16.2 39.7 5 4 A F E < -A 24 0A 37 -3,-2.3 2,-0.6 19,-0.2 19,-0.2 -0.950 57.3-164.4-120.5 126.5 14.5 18.0 37.7 6 5 A Q E -A 23 0A 100 17,-2.4 17,-1.8 -2,-0.5 2,-0.2 -0.929 21.4-132.4-107.4 116.0 11.5 19.8 39.0 7 6 A K E +A 22 0A 74 -2,-0.6 15,-0.3 15,-0.2 3,-0.1 -0.473 23.6 180.0 -64.4 131.1 8.6 20.6 36.6 8 7 A V E - 0 0 67 13,-3.6 2,-0.3 1,-0.4 14,-0.2 0.856 59.1 -33.5 -96.9 -56.0 7.5 24.3 36.8 9 8 A E E -A 21 0A 109 12,-1.2 12,-3.7 0, 0.0 -1,-0.4 -0.986 57.5 -98.4-161.7 160.4 4.8 24.4 34.2 10 9 A K E +A 20 0A 105 -2,-0.3 10,-0.2 10,-0.2 3,-0.1 -0.531 32.1 176.9 -75.5 148.8 3.6 23.0 30.8 11 10 A I E - 0 0 88 8,-2.5 2,-0.3 1,-0.3 9,-0.2 0.607 48.7 -42.6-127.3 -26.6 4.3 25.3 27.9 12 11 A G E -A 19 0A 28 7,-1.3 7,-2.7 2,-0.0 2,-0.4 -0.993 33.8-114.7 178.4 176.4 3.1 23.5 24.7 13 12 A E + 0 0 140 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.990 33.1 173.0-131.5 126.4 2.6 20.6 22.3 14 13 A G - 0 0 21 2,-0.6 2,-3.2 -2,-0.4 131,-0.1 -0.913 63.0 -40.1-143.9 116.6 4.3 20.6 18.9 15 14 A T S S- 0 0 69 -2,-0.4 2,-0.3 130,-0.1 30,-0.1 -0.240 127.3 -5.9 70.8 -54.4 4.5 17.9 16.2 16 15 A Y S S+ 0 0 28 -2,-3.2 -2,-0.6 29,-0.1 129,-0.1 -0.964 111.1 15.4-158.4 164.8 5.0 15.3 18.9 17 16 A G S S- 0 0 26 -2,-0.3 2,-0.3 -4,-0.1 19,-0.2 -0.163 77.3 -87.4 69.5-164.1 5.5 15.1 22.7 18 17 A V E - B 0 35A 9 17,-1.0 17,-2.6 -5,-0.2 2,-0.5 -0.985 29.0-137.2-146.6 137.4 4.9 17.8 25.3 19 18 A V E -AB 12 34A 36 -7,-2.7 -8,-2.5 -2,-0.3 -7,-1.3 -0.902 19.8-173.3-107.1 124.4 7.3 20.5 26.5 20 19 A Y E -AB 10 33A 49 13,-3.0 13,-3.2 -2,-0.5 2,-0.6 -0.830 26.1-126.0-107.0 148.9 7.6 21.4 30.2 21 20 A K E +AB 9 32A 58 -12,-3.7 -13,-3.6 -2,-0.3 -12,-1.2 -0.851 45.0 171.2 -85.8 127.3 9.5 24.3 31.8 22 21 A A E -AB 7 31A 0 9,-2.7 9,-3.4 -2,-0.6 2,-0.4 -0.902 26.4-137.7-138.0 170.1 11.7 22.6 34.4 23 22 A R E -AB 6 30A 98 -17,-1.8 -17,-2.4 -2,-0.3 2,-0.9 -0.984 21.5-121.1-134.0 134.0 14.5 23.4 36.8 24 23 A N E > -A 5 0A 2 5,-2.1 4,-2.6 -2,-0.4 -19,-0.2 -0.644 21.6-153.8 -75.8 106.8 17.7 21.6 37.7 25 24 A K T 4 S+ 0 0 85 -21,-2.6 -1,-0.2 -2,-0.9 -20,-0.1 0.873 91.0 35.0 -49.3 -43.5 17.4 21.1 41.5 26 25 A L T 4 S+ 0 0 4 -22,-0.4 -1,-0.2 1,-0.1 911,-0.1 0.914 126.4 32.7 -81.4 -48.6 21.2 20.9 41.9 27 26 A T T 4 S- 0 0 0 -23,-0.2 903,-2.4 2,-0.1 906,-0.3 0.807 93.4-130.0 -81.9 -27.8 22.6 23.3 39.3 28 27 A G < + 0 0 9 -4,-2.6 2,-0.4 1,-0.3 901,-0.1 0.245 55.7 148.5 94.4 -9.4 19.8 25.9 39.3 29 28 A E - 0 0 21 899,-0.4 -5,-2.1 -5,-0.1 2,-0.3 -0.412 44.1-139.1 -70.1 115.9 19.6 25.8 35.5 30 29 A V E +B 23 0A 51 -2,-0.4 50,-0.8 -7,-0.2 2,-0.3 -0.585 33.5 174.5 -68.0 132.4 16.1 26.4 34.1 31 30 A V E -BC 22 79A 1 -9,-3.4 -9,-2.7 -2,-0.3 2,-0.4 -0.841 33.0-119.7-129.6 167.7 15.6 24.0 31.2 32 31 A A E -BC 21 78A 12 46,-1.7 46,-2.6 -2,-0.3 2,-0.5 -0.923 27.5-153.8-102.9 142.1 12.8 23.0 28.8 33 32 A L E -BC 20 77A 2 -13,-3.2 -13,-3.0 -2,-0.4 2,-0.6 -0.963 6.9-161.5-119.7 117.5 11.8 19.3 28.9 34 33 A K E -BC 19 76A 7 42,-2.1 42,-2.9 -2,-0.5 2,-0.4 -0.871 15.9-159.5 -91.4 121.7 10.3 17.4 25.9 35 34 A K E -BC 18 75A 32 -17,-2.6 -17,-1.0 -2,-0.6 2,-0.4 -0.866 5.6-165.6-103.5 133.1 8.5 14.2 27.1 36 35 A I E - C 0 74A 6 38,-1.3 38,-1.7 -2,-0.4 2,-0.3 -0.979 13.6-139.2-122.0 126.5 7.7 11.3 24.8 37 36 A R E C 0 73A 191 -2,-0.4 36,-0.2 36,-0.2 -20,-0.1 -0.624 360.0 360.0 -79.6 138.5 5.3 8.4 25.6 38 37 A L 0 0 61 34,-2.0 4,-0.1 -2,-0.3 34,-0.1 -0.909 360.0 360.0-121.5 360.0 6.5 4.9 24.6 39 ! 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 40 42 A E 0 0 120 0, 0.0 2,-0.2 0, 0.0 357,-0.1 0.000 360.0 360.0 360.0 20.6 5.3 1.1 18.4 41 43 A G - 0 0 14 2,-0.1 373,-0.1 356,-0.0 374,-0.0 -0.545 360.0 -22.1 93.8-161.1 9.0 1.7 19.3 42 44 A V S S- 0 0 0 -2,-0.2 -4,-0.1 372,-0.1 5,-0.1 -0.777 82.6-104.5 -84.1 128.7 10.8 5.1 19.4 43 45 A P > - 0 0 38 0, 0.0 4,-2.0 0, 0.0 3,-0.3 -0.178 16.5-128.6 -58.7 145.9 8.9 7.6 17.2 44 46 A S H > S+ 0 0 38 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.827 110.1 58.1 -60.7 -31.4 10.5 8.3 13.8 45 47 A T H > S+ 0 0 33 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.868 107.4 44.2 -70.7 -36.9 10.1 12.0 14.7 46 48 A A H > S+ 0 0 0 -3,-0.3 4,-2.6 2,-0.2 5,-0.3 0.853 109.1 57.2 -73.9 -37.6 12.2 11.7 17.9 47 49 A I H X S+ 0 0 1 -4,-2.0 4,-1.9 2,-0.2 5,-0.2 0.932 113.5 40.3 -57.9 -46.6 14.9 9.6 16.2 48 50 A R H X S+ 0 0 4 -4,-1.9 4,-2.3 2,-0.2 5,-0.4 0.948 113.2 52.8 -67.7 -51.3 15.4 12.4 13.6 49 51 A E H X S+ 0 0 1 -4,-2.2 4,-1.7 1,-0.2 -2,-0.2 0.916 113.6 44.4 -53.8 -45.7 15.1 15.3 16.0 50 52 A I H X S+ 0 0 0 -4,-2.6 4,-1.7 2,-0.2 5,-0.2 0.971 114.8 42.9 -65.8 -57.3 17.8 13.8 18.3 51 53 A S H X S+ 0 0 1 -4,-1.9 4,-1.0 -5,-0.3 3,-0.2 0.917 119.2 45.0 -59.4 -43.1 20.5 12.6 15.9 52 54 A L H X S+ 0 0 0 -4,-2.3 4,-1.7 -5,-0.2 -1,-0.2 0.826 111.6 51.3 -68.8 -33.9 20.2 15.8 13.8 53 55 A L H < S+ 0 0 3 -4,-1.7 11,-0.4 -5,-0.4 -1,-0.2 0.726 104.9 56.5 -81.2 -21.3 20.2 18.2 16.7 54 56 A K H < S+ 0 0 85 -4,-1.7 -1,-0.2 -3,-0.2 -2,-0.2 0.783 110.9 46.1 -73.3 -28.9 23.3 16.5 18.1 55 57 A E H < S+ 0 0 37 -4,-1.0 2,-1.1 -5,-0.2 -2,-0.2 0.840 100.9 73.8 -77.8 -35.7 24.9 17.4 14.8 56 58 A L < + 0 0 4 -4,-1.7 2,-0.7 6,-0.1 -1,-0.2 -0.655 54.0 165.9 -92.2 92.0 23.7 21.0 14.7 57 59 A N + 0 0 114 -2,-1.1 5,-0.1 6,-0.1 6,-0.1 -0.876 21.7 133.3-108.2 105.2 25.6 23.2 17.1 58 60 A H > - 0 0 24 -2,-0.7 3,-2.0 3,-0.4 -2,-0.0 -0.992 63.6-118.6-153.0 141.5 24.9 26.8 16.4 59 61 A P T 3 S+ 0 0 87 0, 0.0 4,-0.1 0, 0.0 -1,-0.0 0.739 116.7 48.0 -54.9 -26.1 24.0 30.0 18.4 60 62 A N T 3 S+ 0 0 7 48,-0.1 81,-2.7 80,-0.1 2,-0.4 0.272 99.3 76.6-102.2 10.3 20.8 30.3 16.4 61 63 A I B < S-e 141 0B 1 -3,-2.0 -3,-0.4 79,-0.3 81,-0.1 -0.985 94.3-103.4-121.1 129.6 19.7 26.6 16.7 62 64 A V - 0 0 6 79,-2.3 2,-0.4 -2,-0.4 -2,-0.1 -0.225 39.4-121.4 -57.9 130.9 18.2 25.4 20.1 63 65 A K - 0 0 82 -4,-0.1 16,-2.0 17,-0.1 2,-0.6 -0.592 13.0-147.0 -83.3 128.9 20.8 23.4 22.1 64 66 A L E +D 78 0A 29 -11,-0.4 14,-0.2 -2,-0.4 3,-0.1 -0.849 18.1 179.6 -89.1 124.4 20.0 19.9 23.1 65 67 A L E - 0 0 70 12,-3.2 2,-0.3 -2,-0.6 13,-0.2 0.849 54.8 -11.4 -94.1 -40.1 21.7 19.2 26.5 66 68 A D E -D 77 0A 84 11,-1.4 11,-2.3 2,-0.0 2,-0.4 -0.952 45.4-137.7-157.2 166.9 20.8 15.6 27.3 67 69 A V E -D 76 0A 40 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.964 27.7-174.4-136.6 117.1 18.7 12.5 26.5 68 70 A I E -D 75 0A 26 7,-2.7 7,-2.3 -2,-0.4 -66,-0.0 -0.873 9.8-175.6-121.2 149.3 17.2 10.6 29.5 69 71 A H + 0 0 27 -2,-0.3 2,-2.1 5,-0.2 4,-0.4 0.829 25.9 149.1-105.4 -86.7 15.3 7.3 29.7 70 72 A T S S- 0 0 70 2,-0.1 4,-0.1 4,-0.1 -1,-0.1 -0.302 70.4 -97.2 71.8 -53.0 13.7 5.7 32.9 71 73 A E S S+ 0 0 58 -2,-2.1 3,-0.1 2,-1.0 -2,-0.1 0.544 103.9 46.5 69.8 138.1 10.9 4.2 30.6 72 74 A N S S+ 0 0 111 -36,-0.1 -34,-2.0 -34,-0.1 2,-0.3 -0.808 113.9 61.5 -94.7 40.4 8.3 4.2 29.5 73 75 A K E -C 37 0A 85 -4,-0.4 -2,-1.0 -36,-0.2 2,-0.4 -0.826 61.2-150.9-121.8 154.8 9.2 7.8 28.8 74 76 A L E -C 36 0A 1 -38,-1.7 -38,-1.3 -2,-0.3 2,-0.5 -0.945 16.3-161.5-128.3 111.6 11.9 9.6 26.8 75 77 A Y E -CD 35 68A 19 -7,-2.3 -7,-2.7 -2,-0.4 2,-0.4 -0.800 5.0-162.9 -95.5 128.4 13.0 13.0 28.0 76 78 A L E -CD 34 67A 0 -42,-2.9 -42,-2.1 -2,-0.5 2,-0.5 -0.915 12.9-149.8-102.3 135.3 14.9 15.5 25.8 77 79 A V E +CD 33 66A 4 -11,-2.3 -12,-3.2 -2,-0.4 -11,-1.4 -0.943 20.9 178.8-114.4 124.6 16.6 18.2 27.8 78 80 A F E -CD 32 64A 13 -46,-2.6 -46,-1.7 -2,-0.5 -14,-0.2 -0.811 37.5 -94.9-122.8 156.0 17.0 21.6 26.1 79 81 A E E -C 31 0A 34 -16,-2.0 2,-0.3 -2,-0.3 -48,-0.2 -0.480 52.0-120.0 -59.6 138.6 18.3 25.1 26.8 80 82 A F - 0 0 64 -50,-0.8 2,-0.3 -2,-0.1 -1,-0.1 -0.626 28.0-166.3 -84.5 148.2 15.4 27.1 28.1 81 83 A L - 0 0 16 -2,-0.3 53,-0.2 53,-0.1 3,-0.1 -0.964 20.9-129.8-135.0 158.5 14.2 30.3 26.3 82 84 A S S S- 0 0 58 51,-0.8 2,-0.3 -2,-0.3 52,-0.2 0.763 75.0 -4.2 -81.0 -32.6 11.9 33.0 27.5 83 85 A M E -F 133 0B 38 50,-1.3 50,-2.6 4,-0.0 2,-0.2 -0.990 59.5-119.6-163.3 144.9 9.3 33.5 24.8 84 86 A D E > -F 132 0B 40 -2,-0.3 4,-1.8 48,-0.2 48,-0.2 -0.589 37.1-109.8 -88.1 160.8 8.3 32.5 21.3 85 87 A L H > S+ 0 0 1 46,-2.2 4,-3.2 43,-0.9 5,-0.2 0.871 114.7 57.2 -57.3 -43.3 8.1 35.0 18.5 86 88 A K H > S+ 0 0 42 42,-0.9 4,-2.0 1,-0.2 -1,-0.2 0.921 108.4 45.5 -58.3 -48.9 4.3 34.8 18.3 87 89 A D H > S+ 0 0 96 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.886 113.6 51.1 -60.8 -37.9 3.8 35.8 21.9 88 90 A F H X S+ 0 0 8 -4,-1.8 4,-1.3 2,-0.2 3,-0.3 0.937 108.1 50.7 -66.2 -46.9 6.4 38.6 21.5 89 91 A M H < S+ 0 0 2 -4,-3.2 3,-0.2 1,-0.2 -1,-0.2 0.876 111.4 49.8 -53.8 -40.8 4.6 39.9 18.4 90 92 A D H >< S+ 0 0 92 -4,-2.0 3,-0.7 1,-0.2 -1,-0.2 0.763 107.8 53.0 -70.8 -28.8 1.4 40.0 20.4 91 93 A A H 3< S+ 0 0 71 -4,-1.5 3,-0.3 -3,-0.3 -1,-0.2 0.722 106.9 53.8 -74.8 -22.6 3.1 41.8 23.2 92 94 A S T 3X S+ 0 0 11 -4,-1.3 4,-3.0 -3,-0.2 -1,-0.2 0.221 75.1 115.2 -97.7 13.9 4.3 44.4 20.7 93 95 A A T <4 S+ 0 0 62 -3,-0.7 -1,-0.2 1,-0.2 -2,-0.1 0.782 81.7 32.6 -54.9 -40.1 0.7 45.1 19.4 94 96 A L T 4 S+ 0 0 172 -3,-0.3 -1,-0.2 -4,-0.1 -2,-0.1 0.763 129.0 34.2 -90.2 -26.5 0.4 48.7 20.6 95 97 A T T 4 S- 0 0 122 -4,-0.2 -2,-0.2 1,-0.1 -3,-0.1 0.726 99.1-131.4-106.8 -27.9 4.0 49.9 20.2 96 98 A G < - 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0 0 19 -4,-2.1 -234,-0.1 -5,-0.4 -42,-0.0 -0.448 58.6-147.9 -81.3 141.3 11.5 6.1 4.8 392 270 B I S S+ 0 0 49 1,-0.3 -1,-0.1 -2,-0.2 -235,-0.0 0.912 103.1 22.0 -62.7 -47.8 8.4 8.2 4.2 393 271 B Y S S- 0 0 200 -3,-0.0 -1,-0.3 -235,-0.0 -5,-0.1 -0.850 82.2-168.6-123.9 93.6 6.3 5.1 5.2 394 272 B P - 0 0 47 0, 0.0 2,-0.1 0, 0.0 -10,-0.1 -0.401 30.6-102.4 -71.9 158.7 8.3 2.7 7.4 395 273 B P - 0 0 15 0, 0.0 -7,-0.1 0, 0.0 -4,-0.0 -0.472 43.0 -95.9 -74.2 155.0 6.8 -0.8 8.0 396 274 B E > - 0 0 109 -2,-0.1 4,-0.8 1,-0.1 3,-0.2 -0.237 28.1-115.2 -58.9 157.3 5.2 -1.5 11.4 397 275 B V H >> S+ 0 0 2 1,-0.2 4,-2.0 2,-0.2 3,-1.0 0.894 119.4 62.6 -56.7 -41.6 7.2 -3.3 14.1 398 276 B A H 3> S+ 0 0 49 1,-0.3 4,-1.7 2,-0.2 -1,-0.2 0.884 99.5 52.4 -50.6 -44.4 4.7 -6.1 13.6 399 277 B E H 3> S+ 0 0 69 1,-0.2 4,-1.1 2,-0.2 -1,-0.3 0.732 108.5 51.4 -65.2 -26.4 5.9 -6.5 10.0 400 278 B F H S+ 0 0 19 -4,-2.0 5,-1.3 1,-0.2 3,-0.4 0.856 107.7 55.8 -66.6 -35.5 8.6 -9.5 13.8 402 280 B Y H ><5S+ 0 0 158 -4,-1.7 3,-1.7 -5,-0.2 -2,-0.2 0.893 102.3 52.8 -63.8 -43.8 6.9 -11.4 11.0 403 281 B I H 3<5S+ 0 0 22 -4,-1.1 -1,-0.2 1,-0.3 -2,-0.2 0.615 98.7 63.3 -76.1 -12.2 10.0 -11.5 8.7 404 282 B T T 3<5S- 0 0 2 -4,-0.6 3,-0.5 -3,-0.4 -1,-0.3 0.469 113.6-122.3 -80.4 -3.9 12.2 -13.0 11.4 405 283 B D T < 5 - 0 0 139 -3,-1.7 -3,-0.2 1,-0.2 -2,-0.1 0.848 63.1 -59.3 64.9 39.1 9.7 -15.9 11.2 406 284 B D S - 0 0 76 -2,-0.2 4,-2.0 -3,-0.1 5,-0.1 -0.395 28.8-107.2 -89.3 171.0 9.1 -11.4 20.0 410 288 B K H > S+ 0 0 102 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.935 121.6 51.7 -60.6 -48.6 7.9 -7.8 19.6 411 289 B K H > S+ 0 0 143 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.853 109.5 50.7 -59.4 -38.1 9.2 -6.9 23.1 412 290 B Q H > S+ 0 0 55 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.923 110.9 47.4 -62.3 -47.6 12.6 -8.4 22.1 413 291 B V H X S+ 0 0 0 -4,-2.0 4,-1.7 2,-0.2 -2,-0.2 0.876 113.9 48.4 -64.2 -38.8 12.7 -6.3 18.9 414 292 B L H X S+ 0 0 36 -4,-2.6 4,-1.8 2,-0.2 -2,-0.2 0.943 110.3 49.0 -67.0 -50.1 11.7 -3.2 20.7 415 293 B R H X S+ 0 0 80 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.814 111.4 51.2 -59.4 -33.5 14.2 -3.5 23.6 416 294 B M H X S+ 0 0 0 -4,-1.8 4,-3.1 2,-0.2 -1,-0.2 0.879 102.9 59.1 -70.4 -39.8 17.0 -4.1 21.0 417 295 B E H X S+ 0 0 1 -4,-1.7 4,-2.7 1,-0.2 -2,-0.2 0.929 109.1 45.2 -52.6 -48.7 16.0 -1.0 19.1 418 296 B H H X S+ 0 0 16 -4,-1.8 4,-3.5 2,-0.2 5,-0.3 0.952 110.2 53.2 -56.7 -55.2 16.7 1.0 22.3 419 297 B L H X S+ 0 0 7 -4,-2.0 4,-3.5 2,-0.2 5,-0.2 0.919 111.8 45.7 -49.0 -52.3 20.0 -0.8 23.0 420 298 B V H X S+ 0 0 2 -4,-3.1 4,-3.6 2,-0.2 5,-0.3 0.980 112.5 50.5 -54.1 -59.5 21.2 0.1 19.5 421 299 B L H <>S+ 0 0 0 -4,-2.7 5,-3.4 1,-0.2 6,-0.3 0.915 115.8 43.0 -42.8 -56.6 20.0 3.6 19.8 422 300 B K H ><5S+ 0 0 48 -4,-3.5 3,-1.3 3,-0.2 -1,-0.2 0.895 114.5 48.6 -58.7 -47.1 21.8 3.9 23.2 423 301 B V H 3<5S+ 0 0 16 -4,-3.5 -1,-0.2 1,-0.3 -2,-0.2 0.901 115.6 44.1 -63.5 -40.0 25.0 2.1 22.0 424 302 B L T ><5S- 0 0 8 -4,-3.6 3,-1.8 -5,-0.2 -1,-0.3 0.412 112.8-126.0 -79.7 4.3 25.1 4.3 18.9 425 303 B T T < 5 - 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0 0 3 42,-0.2 2,-0.2 -6,-0.1 -3,-0.1 -0.783 55.4-170.4-113.7 154.9 28.6 33.3 36.7 888 207 D T >> - 0 0 68 -2,-0.3 4,-1.8 -3,-0.0 3,-0.6 -0.724 43.7 -92.0-129.3 174.5 31.9 35.1 35.9 889 208 D N H 3> S+ 0 0 55 1,-0.2 4,-2.1 -2,-0.2 136,-0.3 0.790 122.4 59.7 -56.9 -31.3 35.7 34.7 36.5 890 209 D S H 3> S+ 0 0 73 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.835 104.7 47.2 -70.2 -34.4 35.3 36.8 39.7 891 210 D M H <> S+ 0 0 43 -3,-0.6 4,-1.8 2,-0.2 -2,-0.2 0.888 111.3 51.0 -74.7 -40.6 32.9 34.3 41.2 892 211 D R H X S+ 0 0 4 -4,-1.8 4,-3.0 2,-0.2 5,-0.2 0.900 107.2 55.2 -58.5 -44.3 35.1 31.3 40.3 893 212 D A H X S+ 0 0 4 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.904 106.7 49.6 -54.9 -47.3 38.0 33.2 41.9 894 213 D I H X S+ 0 0 95 -4,-1.5 4,-1.5 2,-0.2 -1,-0.2 0.881 113.0 48.9 -60.6 -40.2 36.1 33.5 45.2 895 214 D L H X S+ 0 0 10 -4,-1.8 4,-2.2 2,-0.2 3,-0.4 0.976 111.3 45.6 -64.0 -59.0 35.3 29.8 45.0 896 215 D V H X S+ 0 0 1 -4,-3.0 4,-1.5 1,-0.3 -2,-0.2 0.923 113.2 51.7 -51.4 -48.7 38.9 28.5 44.4 897 216 D D H X S+ 0 0 18 -4,-2.3 4,-1.3 1,-0.2 -1,-0.3 0.842 108.0 52.2 -58.0 -37.6 40.2 30.8 47.1 898 217 D W H X S+ 0 0 44 -4,-1.5 4,-1.4 -3,-0.4 -1,-0.2 0.901 104.7 55.4 -65.1 -41.8 37.6 29.4 49.5 899 218 D L H X S+ 0 0 0 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.782 101.0 59.5 -61.9 -29.4 38.8 25.9 48.7 900 219 D V H X S+ 0 0 1 -4,-1.5 4,-1.0 2,-0.2 -1,-0.2 0.938 103.1 51.5 -62.5 -46.6 42.3 26.9 49.6 901 220 D E H X S+ 0 0 117 -4,-1.3 4,-1.9 1,-0.2 3,-0.2 0.837 110.5 48.7 -55.9 -37.6 41.0 27.7 53.1 902 221 D V H X S+ 0 0 5 -4,-1.4 4,-2.5 2,-0.2 6,-0.3 0.886 105.5 57.8 -69.5 -41.0 39.4 24.3 53.3 903 222 D G H <>S+ 0 0 4 -4,-2.4 5,-1.2 1,-0.2 -2,-0.2 0.700 113.6 39.6 -59.9 -22.6 42.7 22.7 52.1 904 223 D E H <5S+ 0 0 59 -4,-1.0 -1,-0.2 -3,-0.2 -2,-0.2 0.748 111.3 55.8 -97.5 -33.6 44.4 24.3 55.2 905 224 D E H <5S+ 0 0 133 -4,-1.9 -2,-0.2 1,-0.2 -3,-0.2 0.945 121.3 30.0 -60.8 -48.5 41.5 23.7 57.6 906 225 D Y T <5S- 0 0 47 -4,-2.5 -1,-0.2 -5,-0.1 -2,-0.2 0.246 108.6-121.4-102.7 11.2 41.6 20.0 56.9 907 226 D K T 5 + 0 0 172 1,-0.2 -3,-0.2 -5,-0.2 -4,-0.1 0.791 48.7 174.2 60.3 35.2 45.4 19.8 56.1 908 227 D L < - 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0 0 35 -2,-0.4 -899,-0.4 -3,-0.1 2,-0.4 -0.725 25.2-165.7 -84.7 141.2 25.3 25.8 33.4 929 248 D V - 0 0 2 -2,-0.3 -43,-0.3 -901,-0.1 -901,-0.2 -0.993 16.3-133.4-134.7 129.3 25.2 26.8 37.1 930 249 D L >> - 0 0 77 -903,-2.4 3,-1.9 -2,-0.4 4,-0.9 -0.512 32.4-112.1 -75.5 152.6 23.4 29.6 38.9 931 250 D R H >> S+ 0 0 148 1,-0.3 3,-0.7 2,-0.2 4,-0.6 0.840 114.9 63.0 -55.2 -39.9 25.5 31.5 41.4 932 251 D G H 34 S+ 0 0 49 1,-0.2 -1,-0.3 2,-0.1 4,-0.2 0.727 111.0 39.9 -56.0 -23.6 23.5 30.2 44.4 933 252 D K H <> S+ 0 0 49 -3,-1.9 4,-2.0 -906,-0.3 -1,-0.2 0.576 86.6 92.6-104.6 -14.2 24.8 26.7 43.5 934 253 D L H S+ 0 0 0 -4,-0.2 4,-2.1 1,-0.2 5,-0.2 0.905 106.7 53.5 -54.3 -45.0 27.8 23.3 46.1 937 256 D V H X S+ 0 0 1 -4,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.934 113.1 43.2 -53.8 -50.0 29.5 22.3 42.8 938 257 D G H X S+ 0 0 0 -4,-2.0 4,-2.7 1,-0.2 -2,-0.2 0.817 109.1 57.8 -64.9 -34.7 32.9 23.1 44.3 939 258 D T H X S+ 0 0 0 -4,-2.7 4,-1.5 2,-0.2 -1,-0.2 0.873 109.8 44.3 -65.0 -37.4 32.1 21.3 47.6 940 259 D A H X S+ 0 0 0 -4,-2.1 4,-2.6 -5,-0.2 -2,-0.2 0.908 112.2 52.7 -73.2 -41.5 31.4 18.1 45.7 941 260 D A H X S+ 0 0 1 -4,-2.0 4,-2.8 2,-0.2 5,-0.2 0.935 108.7 49.2 -55.6 -51.1 34.5 18.5 43.6 942 261 D M H X S+ 0 0 2 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.892 111.3 51.7 -56.4 -40.8 36.7 19.0 46.7 943 262 D L H X S+ 0 0 1 -4,-1.5 4,-2.3 2,-0.2 -2,-0.2 0.924 110.3 46.9 -62.1 -47.5 35.0 15.8 48.1 944 263 D L H X S+ 0 0 0 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.924 112.1 49.4 -62.5 -46.7 35.8 13.8 45.0 945 264 D A H X S+ 0 0 0 -4,-2.8 4,-3.1 1,-0.2 5,-0.4 0.875 111.0 51.2 -59.8 -38.8 39.4 14.9 44.8 946 265 D S H X S+ 0 0 0 -4,-2.0 4,-1.8 -5,-0.2 -2,-0.2 0.917 110.0 48.2 -64.1 -45.0 39.8 14.0 48.5 947 266 D K H < S+ 0 0 9 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.795 117.2 45.0 -66.2 -29.0 38.4 10.6 48.0 948 267 D F H < S+ 0 0 7 -4,-1.9 -2,-0.2 -5,-0.2 -239,-0.2 0.937 129.1 17.6 -76.9 -48.4 40.7 10.2 45.0 949 268 D E H < S+ 0 0 12 -4,-3.1 2,-0.2 -5,-0.1 -3,-0.2 0.810 100.3 85.0-102.3 -35.7 44.0 11.5 46.5 950 269 D E < - 0 0 14 -4,-1.8 -233,-0.1 -5,-0.4 -42,-0.0 -0.531 55.8-152.2 -82.5 136.9 43.9 11.6 50.3 951 270 D I S S+ 0 0 49 1,-0.3 -1,-0.1 -2,-0.2 -234,-0.1 0.946 102.8 25.8 -62.5 -51.1 44.8 8.6 52.5 952 271 D Y S S- 0 0 180 -3,-0.1 -1,-0.3 -234,-0.0 -5,-0.1 -0.755 86.3-175.8-115.1 80.3 42.5 10.0 55.2 953 272 D P - 0 0 43 0, 0.0 2,-0.1 0, 0.0 -10,-0.1 -0.471 33.8 -98.4 -73.9 149.1 39.9 12.2 53.4 954 273 D P - 0 0 13 0, 0.0 5,-0.1 0, 0.0 -7,-0.0 -0.392 41.1-103.4 -69.8 145.4 37.4 14.1 55.5 955 274 D E >> - 0 0 100 1,-0.1 3,-1.1 -2,-0.1 4,-0.8 -0.223 30.4-109.1 -63.2 153.9 33.9 12.7 56.1 956 275 D V H >> S+ 0 0 0 1,-0.3 3,-2.2 2,-0.2 4,-1.9 0.919 117.7 60.8 -50.8 -50.4 30.9 14.1 54.1 957 276 D A H 3> S+ 0 0 50 1,-0.3 4,-1.0 2,-0.2 -1,-0.3 0.803 100.9 55.1 -49.1 -34.1 29.5 15.8 57.3 958 277 D E H <> S+ 0 0 75 -3,-1.1 4,-1.1 2,-0.2 -1,-0.3 0.701 107.2 49.2 -74.5 -20.7 32.7 17.8 57.6 959 278 D F H << S+ 0 0 4 -3,-2.2 -2,-0.2 -4,-0.8 -1,-0.2 0.745 109.5 52.1 -82.5 -29.5 32.2 19.1 54.0 960 279 D V H >< S+ 0 0 31 -4,-1.9 3,-0.6 1,-0.2 -2,-0.2 0.735 106.9 57.5 -70.4 -25.4 28.6 19.9 55.1 961 280 D Y H >< S+ 0 0 177 -4,-1.0 3,-1.6 -5,-0.3 2,-0.3 0.912 95.0 58.7 -76.3 -43.7 30.1 21.8 58.0 962 281 D I T 3< S+ 0 0 32 -4,-1.1 -1,-0.2 1,-0.3 -2,-0.1 0.119 103.3 60.1 -76.1 29.0 32.3 24.3 56.2 963 282 D T T X S- 0 0 5 -3,-0.6 3,-1.0 -2,-0.3 2,-0.5 0.462 87.7-147.2-130.3 -11.0 29.2 25.5 54.4 964 283 D D T < - 0 0 136 -3,-1.6 -1,-0.3 1,-0.2 3,-0.0 -0.617 68.8 -35.9 69.3-117.8 27.0 26.7 57.2 965 284 D D T 3 S+ 0 0 149 -2,-0.5 -1,-0.2 1,-0.1 -4,-0.0 0.567 108.8 105.3-109.4 -17.9 23.4 26.1 56.2 966 285 D T S < S+ 0 0 77 -3,-1.0 2,-0.4 1,-0.1 -2,-0.1 0.789 87.7 21.4 -37.5 -49.4 23.7 26.7 52.5 967 286 D Y - 0 0 10 -7,-0.2 2,-0.2 -4,-0.1 -4,-0.1 -0.963 68.4-140.0-130.0 140.8 23.6 23.0 51.6 968 287 D T >> - 0 0 81 -2,-0.4 4,-1.8 1,-0.1 3,-0.5 -0.519 36.0-105.2 -85.6 161.7 22.3 19.8 53.2 969 288 D K H 3> S+ 0 0 66 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.830 120.0 59.6 -52.7 -38.4 24.1 16.5 53.0 970 289 D K H 3> S+ 0 0 133 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.891 105.7 47.0 -61.0 -43.6 21.5 15.3 50.4 971 290 D Q H <> S+ 0 0 48 -3,-0.5 4,-2.0 2,-0.2 -1,-0.2 0.865 111.3 52.4 -65.6 -38.8 22.5 18.1 48.0 972 291 D V H X S+ 0 0 0 -4,-1.8 4,-1.9 1,-0.2 -2,-0.2 0.921 113.3 43.0 -64.4 -43.4 26.2 17.4 48.5 973 292 D L H X S+ 0 0 7 -4,-2.5 4,-1.5 2,-0.2 -2,-0.2 0.800 113.9 49.7 -74.3 -31.9 25.7 13.7 47.7 974 293 D R H X S+ 0 0 62 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.842 111.0 50.7 -74.4 -34.8 23.4 14.2 44.7 975 294 D M H X S+ 0 0 0 -4,-2.0 4,-3.2 2,-0.2 5,-0.2 0.904 105.1 56.7 -65.4 -43.3 25.9 16.8 43.3 976 295 D E H X S+ 0 0 0 -4,-1.9 4,-2.3 1,-0.2 -2,-0.2 0.914 108.7 48.1 -50.9 -46.5 28.7 14.2 43.8 977 296 D H H X S+ 0 0 12 -4,-1.5 4,-2.4 2,-0.2 -2,-0.2 0.933 111.3 49.4 -60.1 -47.1 26.6 11.9 41.6 978 297 D L H X S+ 0 0 21 -4,-2.1 4,-2.9 2,-0.2 5,-0.2 0.920 110.6 49.5 -59.3 -47.6 26.1 14.6 39.0 979 298 D V H X S+ 0 0 1 -4,-3.2 4,-3.1 1,-0.2 6,-0.2 0.936 111.8 48.4 -60.3 -47.8 29.8 15.6 38.8 980 299 D L H <>S+ 0 0 0 -4,-2.3 5,-2.3 -5,-0.2 6,-0.3 0.908 113.8 47.9 -55.2 -44.2 30.8 11.9 38.4 981 300 D K H ><5S+ 0 0 59 -4,-2.4 3,-1.0 3,-0.2 -2,-0.2 0.926 114.5 44.1 -65.6 -46.2 28.2 11.5 35.6 982 301 D V H 3<5S+ 0 0 38 -4,-2.9 -2,-0.2 1,-0.3 -1,-0.2 0.924 118.5 43.5 -64.5 -47.1 29.1 14.7 33.8 983 302 D L T ><5S- 0 0 7 -4,-3.1 3,-2.7 -5,-0.2 -1,-0.3 0.285 108.6-130.3 -80.5 11.0 32.9 13.9 34.1 984 303 D T T < 5 - 0 0 70 -3,-1.0 -3,-0.2 1,-0.3 -4,-0.1 0.760 60.1 -67.1 41.1 37.3 32.0 10.3 33.1 985 304 D F T 3 - 0 0 4 1,-0.1 4,-1.0 41,-0.0 5,-0.2 -0.881 37.8-108.0-135.0 166.8 47.7 18.9 37.3 992 311 D V H >> S+ 0 0 7 -2,-0.3 4,-1.7 1,-0.2 3,-0.6 0.915 122.3 56.1 -55.3 -42.7 50.2 21.8 37.6 993 312 D N H 3> S+ 0 0 21 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.837 100.2 56.4 -59.3 -39.2 51.3 20.0 40.8 994 313 D Q H 3> S+ 0 0 22 1,-0.2 4,-0.5 2,-0.2 -282,-0.4 0.751 110.3 43.8 -70.5 -27.1 52.1 16.7 39.0 995 314 D F H < S+ 0 0 2 -4,-0.5 3,-1.0 -5,-0.2 4,-0.3 0.888 113.5 48.4 -68.9 -43.5 58.8 15.9 38.2 999 318 D Y H >< S+ 0 0 0 -4,-2.5 3,-2.0 1,-0.2 -2,-0.2 0.863 99.6 67.6 -64.1 -37.3 60.5 19.3 37.4 1000 319 D F G >< S+ 0 0 22 -4,-3.2 3,-0.8 1,-0.3 -1,-0.2 0.675 86.7 70.4 -57.5 -20.9 61.8 19.6 41.0 1001 320 D L G < S+ 0 0 91 -3,-1.0 -1,-0.3 -4,-0.3 -2,-0.2 0.740 86.5 66.3 -68.3 -24.7 64.1 16.6 40.3 1002 321 D H G < S+ 0 0 47 -3,-2.0 -1,-0.2 -4,-0.3 2,-0.2 -0.026 74.2 131.2 -92.3 30.4 66.3 18.8 38.0 1003 322 D Q < - 0 0 18 -3,-0.8 3,-0.3 51,-0.0 -3,-0.0 -0.492 63.9-121.2 -83.8 156.4 67.5 21.1 40.8 1004 323 D Q S S- 0 0 161 1,-0.7 2,-0.1 -2,-0.2 -2,-0.1 -0.630 101.9 -18.9-129.8 71.9 71.2 21.9 41.2 1005 324 D P S S- 0 0 109 0, 0.0 -1,-0.7 0, 0.0 2,-0.1 0.607 102.3 -75.8 -97.8-159.4 70.9 20.8 44.0 1006 325 D A - 0 0 88 -3,-0.3 2,-0.4 -2,-0.1 -5,-0.1 -0.295 51.7-171.6 -55.9 120.2 67.6 20.2 45.8 1007 326 D N > - 0 0 50 -7,-0.2 4,-1.1 1,-0.1 -1,-0.0 -0.974 20.1-162.1-124.0 127.1 66.3 23.6 47.1 1008 327 D C H > S+ 0 0 73 -2,-0.4 4,-1.8 2,-0.2 5,-0.1 0.770 88.6 54.8 -80.6 -29.6 63.4 24.1 49.5 1009 328 D K H > S+ 0 0 103 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.929 108.2 48.9 -66.9 -47.2 62.7 27.8 48.9 1010 329 D V H > S+ 0 0 0 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.864 110.7 52.8 -61.4 -38.1 62.4 27.4 45.1 1011 330 D E H X S+ 0 0 53 -4,-1.1 4,-2.4 2,-0.2 3,-0.3 0.982 110.2 44.7 -60.8 -60.6 60.0 24.4 45.6 1012 331 D S H X S+ 0 0 7 -4,-1.8 4,-1.6 1,-0.2 -1,-0.2 0.849 114.6 51.2 -51.3 -40.4 57.6 26.3 47.9 1013 332 D L H X S+ 0 0 0 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.870 109.1 48.2 -70.8 -39.9 57.6 29.3 45.6 1014 333 D A H X S+ 0 0 0 -4,-2.1 4,-2.8 -3,-0.3 5,-0.2 0.901 111.9 50.8 -65.7 -41.6 56.9 27.4 42.4 1015 334 D M H X S+ 0 0 29 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.840 110.2 51.6 -59.8 -37.5 54.0 25.7 44.3 1016 335 D F H X S+ 0 0 0 -4,-1.6 4,-1.7 -5,-0.2 -2,-0.2 0.943 113.2 42.1 -63.8 -51.6 52.8 29.2 45.3 1017 336 D L H X S+ 0 0 0 -4,-2.4 4,-1.0 2,-0.2 -2,-0.2 0.863 114.7 51.1 -67.3 -38.4 52.9 30.5 41.8 1018 337 D G H < S+ 0 0 0 -4,-2.8 4,-0.5 1,-0.2 3,-0.4 0.892 110.8 49.9 -62.4 -41.2 51.3 27.4 40.4 1019 338 D E H >< S+ 0 0 0 -4,-1.9 3,-0.8 1,-0.2 4,-0.2 0.817 105.1 57.7 -66.2 -33.9 48.6 27.7 43.0 1020 339 D L H >X S+ 0 0 17 -4,-1.7 3,-1.1 1,-0.2 4,-0.7 0.760 94.5 65.1 -70.2 -25.5 48.0 31.3 42.1 1021 340 D S T 3< S+ 0 0 3 -4,-1.0 -1,-0.2 -3,-0.4 7,-0.2 0.741 92.3 64.9 -68.0 -22.4 47.2 30.4 38.4 1022 341 D L T <4 S+ 0 0 18 -3,-0.8 -1,-0.2 -4,-0.5 3,-0.2 0.624 93.9 59.4 -76.6 -15.4 44.1 28.5 39.7 1023 342 D I T <4 S+ 0 0 4 -3,-1.1 2,-0.8 -4,-0.2 -1,-0.2 0.850 101.5 54.6 -80.1 -36.4 42.4 31.7 40.9 1024 343 D D X - 0 0 39 -4,-0.7 4,-1.4 -3,-0.2 -1,-0.2 -0.803 54.4-177.9-110.7 94.0 42.3 33.5 37.6 1025 344 D A H > + 0 0 5 -2,-0.8 4,-2.1 -136,-0.3 5,-0.3 0.801 64.8 96.7 -53.2 -33.8 40.6 31.6 34.7 1026 345 D D H 4 S- 0 0 114 1,-0.3 -1,-0.1 2,-0.2 -3,-0.0 -0.937 104.8 -7.3 -98.1 113.4 41.6 34.6 32.7 1027 346 D P H >4 S+ 0 0 30 0, 0.0 3,-1.5 0, 0.0 -1,-0.3 -0.974 126.1 66.8-109.4 8.3 44.1 33.9 31.3 1028 347 D Y H >< S+ 0 0 6 -4,-1.4 3,-2.0 1,-0.3 -2,-0.2 0.678 82.7 77.7 -69.2 -19.7 45.4 30.6 32.7 1029 348 D L T 3< S+ 0 0 21 -4,-2.1 -1,-0.3 1,-0.3 -3,-0.1 0.725 89.1 58.6 -60.2 -24.4 42.6 28.4 31.3 1030 349 D K T < S+ 0 0 114 -3,-1.5 2,-0.4 -5,-0.3 -1,-0.3 0.330 94.5 81.3 -91.6 7.0 44.2 28.5 27.8 1031 350 D Y S < S- 0 0 36 -3,-2.0 0, 0.0 -153,-0.1 0, 0.0 -0.952 79.1-123.6-116.5 134.7 47.4 27.0 29.1 1032 351 D L >> - 0 0 34 -2,-0.4 4,-2.0 1,-0.1 3,-0.6 -0.398 30.9-111.2 -65.9 147.1 48.1 23.3 29.7 1033 352 D P H 3> S+ 0 0 26 0, 0.0 4,-3.0 0, 0.0 5,-0.2 0.818 116.8 57.2 -48.0 -40.0 49.3 22.3 33.2 1034 353 D S H 3> S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 5,-0.1 0.897 107.7 46.5 -61.7 -44.2 52.8 21.5 32.0 1035 354 D V H <> S+ 0 0 19 -3,-0.6 4,-2.8 2,-0.2 -1,-0.2 0.905 113.5 48.9 -63.6 -46.1 53.3 25.0 30.5 1036 355 D I H X S+ 0 0 9 -4,-2.0 4,-2.9 2,-0.2 -2,-0.2 0.946 112.5 47.8 -58.7 -49.3 52.0 26.6 33.7 1037 356 D A H X S+ 0 0 0 -4,-3.0 4,-3.0 2,-0.2 -2,-0.2 0.882 111.4 51.9 -59.9 -40.8 54.3 24.4 35.8 1038 357 D G H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 5,-0.2 0.963 111.4 45.3 -57.5 -55.9 57.2 25.3 33.5 1039 358 D A H X S+ 0 0 0 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.906 115.7 48.3 -52.4 -47.2 56.5 29.0 33.8 1040 359 D A H X S+ 0 0 0 -4,-2.9 4,-2.7 2,-0.2 5,-0.2 0.915 110.8 49.2 -63.2 -46.8 56.2 28.7 37.6 1041 360 D F H X S+ 0 0 0 -4,-3.0 4,-2.2 2,-0.2 -2,-0.2 0.911 113.9 46.2 -60.9 -45.1 59.4 26.6 38.0 1042 361 D H H X S+ 0 0 10 -4,-2.5 4,-2.9 2,-0.2 5,-0.2 0.932 113.5 48.9 -61.2 -48.1 61.4 29.1 36.0 1043 362 D L H X S+ 0 0 0 -4,-2.5 4,-1.4 -5,-0.2 -2,-0.2 0.887 113.1 46.8 -62.1 -41.6 59.9 32.1 37.8 1044 363 D A H X S+ 0 0 0 -4,-2.7 4,-1.8 2,-0.2 5,-0.3 0.891 114.8 47.6 -65.2 -41.3 60.6 30.6 41.2 1045 364 D L H X>S+ 0 0 7 -4,-2.2 5,-1.9 -5,-0.2 4,-1.8 0.922 111.1 49.3 -66.0 -47.2 64.1 29.6 40.2 1046 365 D Y H <5S+ 0 0 78 -4,-2.9 -1,-0.2 4,-0.2 -2,-0.2 0.779 111.6 51.5 -64.5 -29.9 65.0 33.1 38.7 1047 366 D T H <5S+ 0 0 34 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.927 120.6 27.8 -74.2 -48.7 63.7 34.8 41.9 1048 367 D V H <5S+ 0 0 49 -4,-1.8 -2,-0.2 -5,-0.1 -3,-0.2 0.966 138.8 13.5 -82.1 -57.5 65.6 32.9 44.5 1049 368 D T T <5S- 0 0 61 -4,-1.8 -3,-0.2 -5,-0.3 -4,-0.1 0.873 89.2-124.5 -90.0 -47.4 68.8 31.7 42.8 1050 369 D G S - 0 0 20 0, 0.0 4,-0.7 0, 0.0 -1,-0.1 -0.394 2.5-119.3 -82.7 161.9 67.5 24.3 33.1 1055 374 D E H >> S+ 0 0 121 1,-0.2 3,-1.3 2,-0.2 4,-0.8 0.961 108.5 53.9 -59.9 -51.5 69.2 22.5 30.3 1056 375 D S H 3> S+ 0 0 41 1,-0.3 4,-1.0 2,-0.2 3,-0.3 0.789 103.4 54.8 -58.7 -36.1 68.0 19.0 31.2 1057 376 D L H 3> S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 5,-0.3 0.683 95.5 68.7 -73.6 -19.5 64.2 19.9 31.3 1058 377 D I H - 0 0 61 -2,-0.6 4,-1.4 -3,-0.1 3,-0.2 -0.443 30.7-108.6 -77.7 162.4 61.8 26.0 24.8 1065 384 D L H > S+ 0 0 65 1,-0.2 4,-0.9 2,-0.2 -1,-0.1 0.834 123.0 59.4 -59.1 -33.2 62.1 29.1 27.0 1066 385 D E H >4 S+ 0 0 161 1,-0.2 3,-0.7 2,-0.2 -1,-0.2 0.910 101.8 51.9 -58.7 -47.1 60.6 30.9 24.0 1067 386 D S H 34 S+ 0 0 69 1,-0.2 4,-0.4 -3,-0.2 -1,-0.2 0.840 108.4 51.9 -59.2 -36.1 57.5 28.7 24.1 1068 387 D L H 3X S+ 0 0 1 -4,-1.4 4,-2.7 1,-0.2 3,-0.5 0.694 84.8 89.2 -77.3 -21.0 57.0 29.5 27.8 1069 388 D K H S+ 0 0 66 0, 0.0 4,-0.9 0, 0.0 -1,-0.2 0.893 116.9 36.7 -44.1 -52.0 53.4 33.9 26.7 1071 390 D C H > S+ 0 0 0 -3,-0.5 4,-2.3 -4,-0.4 -2,-0.2 0.852 115.1 56.3 -68.6 -37.2 52.5 32.2 30.0 1072 391 D L H X S+ 0 0 6 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.817 101.0 56.8 -67.3 -33.8 55.5 33.6 31.8 1073 392 D M H X S+ 0 0 73 -4,-2.8 4,-1.2 -5,-0.2 -1,-0.2 0.869 111.4 44.2 -63.1 -38.8 54.5 37.2 30.9 1074 393 D D H X S+ 0 0 50 -4,-0.9 4,-2.3 -5,-0.3 -2,-0.2 0.919 113.5 47.6 -71.6 -48.2 51.1 36.6 32.6 1075 394 D L H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 5,-0.2 0.835 107.7 57.4 -66.6 -34.1 52.4 34.8 35.7 1076 395 D H H X S+ 0 0 20 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.916 109.6 45.4 -57.6 -46.2 55.1 37.5 36.1 1077 396 D Q H X S+ 0 0 91 -4,-1.2 4,-2.1 2,-0.2 -2,-0.2 0.892 111.4 52.4 -64.8 -42.7 52.2 40.1 36.3 1078 397 D T H < S+ 0 0 24 -4,-2.3 4,-0.5 2,-0.2 -2,-0.2 0.903 110.2 47.4 -61.9 -44.5 50.2 37.9 38.7 1079 398 D Y H >< S+ 0 0 7 -4,-2.5 3,-0.6 1,-0.2 -1,-0.2 0.902 114.0 48.4 -63.7 -41.3 53.1 37.6 41.1 1080 399 D L H 3< S+ 0 0 56 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.834 118.3 39.2 -66.7 -34.8 53.8 41.3 40.9 1081 400 D K T >X S+ 0 0 129 -4,-2.1 3,-0.9 1,-0.2 4,-0.9 0.317 85.8 108.8 -99.4 6.4 50.1 42.2 41.5 1082 401 D A G X4 S+ 0 0 5 -3,-0.6 3,-0.6 -4,-0.5 -1,-0.2 0.831 74.3 50.3 -55.1 -44.2 49.5 39.4 44.1 1083 402 D P G 34 S+ 0 0 61 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.748 111.6 49.3 -71.2 -20.4 49.2 41.6 47.2 1084 403 D Q G <4 S+ 0 0 150 -3,-0.9 -2,-0.2 -4,-0.1 -3,-0.1 0.601 88.0 115.7 -88.2 -13.8 46.6 43.9 45.5 1085 404 D H S << S- 0 0 54 -4,-0.9 -3,-0.0 -3,-0.6 -7,-0.0 -0.172 72.0-127.6 -58.8 147.2 44.6 40.9 44.4 1086 405 D A S S+ 0 0 84 2,-0.0 2,-0.5 1,-0.0 -1,-0.1 0.787 94.8 62.1 -69.1 -30.4 41.0 40.5 45.8 1087 406 D Q + 0 0 35 1,-0.1 4,-0.1 -5,-0.1 -2,-0.1 -0.873 56.6 167.1-102.3 129.7 41.6 36.9 46.9 1088 407 D Q > + 0 0 56 -2,-0.5 4,-2.0 2,-0.1 3,-0.2 0.398 42.3 102.4-125.1 0.9 44.3 36.4 49.6 1089 408 D S H > S+ 0 0 19 1,-0.2 4,-1.5 2,-0.2 5,-0.1 0.841 82.6 53.4 -61.8 -38.1 44.0 32.9 51.1 1090 409 D I H > S+ 0 0 3 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.901 110.4 47.6 -62.9 -42.1 47.0 31.5 49.1 1091 410 D R H 4 S+ 0 0 38 -3,-0.2 -2,-0.2 1,-0.2 -1,-0.2 0.880 110.4 51.0 -68.4 -40.1 49.3 34.3 50.3 1092 411 D E H >< S+ 0 0 121 -4,-2.0 3,-0.5 1,-0.2 4,-0.3 0.789 111.1 50.8 -64.7 -30.3 48.2 33.8 53.9 1093 412 D K H >< S+ 0 0 13 -4,-1.5 3,-1.2 1,-0.2 6,-0.3 0.912 108.1 49.9 -72.0 -46.5 48.9 30.1 53.6 1094 413 D Y T 3< S+ 0 0 0 -4,-2.1 9,-1.5 1,-0.2 10,-0.4 0.215 96.6 73.1 -82.4 14.9 52.4 30.6 52.2 1095 414 D K T < S+ 0 0 76 -3,-0.5 -1,-0.2 8,-0.1 -2,-0.2 0.631 77.8 92.7 -94.6 -23.0 53.3 33.0 55.0 1096 415 D N S X >S- 0 0 107 -3,-1.2 3,-1.9 -4,-0.3 5,-1.0 -0.461 90.9-114.3 -73.4 146.4 53.5 30.1 57.6 1097 416 D S G > 5S+ 0 0 120 1,-0.3 3,-0.6 3,-0.2 -1,-0.1 0.453 108.2 79.6 -65.4 0.2 56.9 28.5 58.2 1098 417 D K G 3 5S+ 0 0 143 1,-0.2 -1,-0.3 -5,-0.2 -4,-0.1 0.899 102.8 34.8 -66.8 -43.3 55.5 25.3 56.7 1099 418 D Y G X 5S- 0 0 22 -3,-1.9 3,-1.4 -6,-0.3 -1,-0.2 -0.035 118.2-109.3-104.6 27.6 56.1 26.8 53.2 1100 419 D H T < 5 - 0 0 96 -3,-0.6 -3,-0.2 1,-0.3 -6,-0.1 0.503 56.1 -85.1 61.6 6.9 59.3 28.7 54.2 1101 420 D G T >