==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 07-MAY-01 1IL5 . COMPND 2 MOLECULE: RICIN A CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: RICINUS COMMUNIS; . AUTHOR D.J.MILLER,K.RAVIKUMAR,H.SHEN,J.-K.SUH,S.M.KERWIN, . 531 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25770.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 357 67.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 27 5.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 68 12.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 0.9 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 . 1 0.2 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 . 31 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 57 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 159 29.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 2.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 0 0 0 2 2 0 0 0 3 1 0 2 0 0 2 0 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 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 PARALLEL BRIDGES PER LADDER . 6 1 0 3 3 0 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 2 0 0 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 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 1 A I 0 0 165 0, 0.0 3,-0.1 0, 0.0 4,-0.1 0.000 360.0 360.0 360.0 156.6 -17.6 25.1 14.2 2 2 A F - 0 0 98 105,-0.2 104,-0.0 1,-0.2 108,-0.0 -0.508 360.0 -65.2 -74.5 146.0 -17.8 28.9 14.6 3 3 A P S S+ 0 0 98 0, 0.0 -1,-0.2 0, 0.0 0, 0.0 -0.032 115.0 16.4 -36.3 121.9 -14.7 30.7 13.2 4 4 A K S S- 0 0 140 -3,-0.1 -2,-0.1 51,-0.0 51,-0.0 0.858 90.1-108.5 73.1 109.2 -11.6 29.8 15.3 5 5 A Q - 0 0 123 -4,-0.1 0, 0.0 1,-0.1 0, 0.0 -0.092 17.9-135.2 -61.6 158.2 -11.7 26.7 17.5 6 6 A Y - 0 0 23 49,-0.1 52,-0.1 50,-0.1 49,-0.1 -0.978 29.1-114.2-119.8 117.9 -11.8 26.7 21.3 7 7 A P - 0 0 32 0, 0.0 52,-3.3 0, 0.0 2,-0.4 -0.212 30.6-150.8 -51.4 136.1 -9.5 24.2 23.1 8 8 A I E -a 59 0A 85 50,-0.2 2,-0.5 52,-0.1 52,-0.2 -0.925 11.3-167.0-117.8 139.0 -11.2 21.5 25.1 9 9 A I E -a 60 0A 30 50,-2.3 52,-2.1 -2,-0.4 2,-0.2 -0.992 15.5-150.5-125.0 120.8 -10.0 19.6 28.2 10 10 A N E +a 61 0A 101 -2,-0.5 2,-0.3 50,-0.2 52,-0.2 -0.607 18.7 169.3 -95.1 154.3 -11.8 16.4 29.2 11 11 A F E -a 62 0A 11 50,-2.1 52,-2.5 -2,-0.2 2,-0.3 -0.974 11.4-162.0-157.3 149.3 -12.3 14.9 32.7 12 12 A T E -a 63 0A 58 -2,-0.3 52,-0.2 50,-0.2 3,-0.1 -0.999 21.2-151.7-142.8 139.7 -14.4 12.1 34.1 13 13 A T S > S+ 0 0 3 50,-2.0 3,-0.6 -2,-0.3 51,-0.1 0.424 84.2 84.3 -85.3 -0.1 -15.6 11.2 37.6 14 14 A A T 3 S+ 0 0 47 49,-0.3 2,-0.2 1,-0.2 -1,-0.1 0.998 108.1 13.7 -65.1 -70.3 -15.8 7.5 36.6 15 15 A G T 3 S+ 0 0 56 -3,-0.1 2,-0.4 2,-0.0 -1,-0.2 -0.348 90.4 169.0-103.1 50.0 -12.2 6.4 37.0 16 16 A A < + 0 0 21 -3,-0.6 2,-0.3 -2,-0.2 -3,-0.1 -0.518 3.6 162.4 -70.1 117.3 -11.2 9.5 39.0 17 17 A T > - 0 0 71 -2,-0.4 4,-2.3 1,-0.1 5,-0.2 -0.815 54.3-102.8-127.6 168.6 -7.8 9.1 40.6 18 18 A V H > S+ 0 0 46 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.886 122.2 52.6 -60.5 -36.4 -5.3 11.6 42.1 19 19 A Q H > S+ 0 0 139 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.965 109.3 45.7 -63.9 -55.7 -3.3 11.2 38.9 20 20 A S H > S+ 0 0 37 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.916 115.5 48.1 -55.2 -45.1 -6.1 12.0 36.5 21 21 A Y H X S+ 0 0 2 -4,-2.3 4,-2.8 2,-0.2 -1,-0.2 0.930 111.6 48.6 -62.5 -48.2 -7.3 14.9 38.5 22 22 A T H X S+ 0 0 15 -4,-2.5 4,-2.7 1,-0.2 5,-0.2 0.909 112.3 49.1 -59.5 -43.2 -3.8 16.4 38.8 23 23 A N H X S+ 0 0 81 -4,-2.7 4,-2.0 2,-0.2 -1,-0.2 0.932 111.7 50.5 -61.0 -45.8 -3.2 16.0 35.1 24 24 A F H X S+ 0 0 10 -4,-2.5 4,-2.2 -5,-0.2 -2,-0.2 0.957 113.0 43.7 -56.5 -56.9 -6.6 17.7 34.5 25 25 A I H X S+ 0 0 0 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.936 115.8 47.1 -57.1 -50.5 -5.9 20.7 36.7 26 26 A R H X S+ 0 0 145 -4,-2.7 4,-2.7 1,-0.2 -1,-0.2 0.798 109.2 56.1 -63.9 -27.9 -2.3 21.2 35.4 27 27 A A H X S+ 0 0 40 -4,-2.0 4,-1.3 -5,-0.2 -1,-0.2 0.933 107.0 48.9 -68.1 -45.3 -3.6 20.9 31.9 28 28 A V H >X S+ 0 0 1 -4,-2.2 4,-2.3 2,-0.2 3,-0.9 0.954 113.2 47.0 -58.0 -51.0 -6.1 23.7 32.5 29 29 A R H 3X S+ 0 0 24 -4,-2.4 4,-2.2 1,-0.3 -2,-0.2 0.942 109.4 54.8 -55.7 -49.5 -3.3 25.9 34.0 30 30 A G H 3< S+ 0 0 51 -4,-2.7 -1,-0.3 1,-0.2 -2,-0.2 0.721 113.3 41.4 -58.5 -25.7 -1.0 25.0 31.1 31 31 A R H << S+ 0 0 134 -4,-1.3 -1,-0.2 -3,-0.9 -2,-0.2 0.765 108.9 57.5 -93.7 -29.3 -3.5 26.2 28.5 32 32 A L H < S+ 0 0 0 -4,-2.3 2,-1.7 -5,-0.2 -2,-0.2 0.928 93.2 72.8 -65.5 -44.4 -4.7 29.3 30.4 33 33 A T S < S- 0 0 36 -4,-2.2 -1,-0.2 -5,-0.2 12,-0.1 -0.543 70.4-167.8 -75.2 87.8 -1.1 30.7 30.5 34 34 A T - 0 0 111 -2,-1.7 2,-0.2 42,-0.1 -1,-0.2 0.654 57.3 -71.0 -51.1 -20.5 -0.8 31.6 26.8 35 35 A G S S+ 0 0 54 1,-0.3 -2,-0.0 2,-0.1 -1,-0.0 -0.686 88.2 6.4 170.8-112.1 2.9 32.1 27.2 36 36 A A + 0 0 62 -2,-0.2 -1,-0.3 7,-0.1 8,-0.1 0.023 64.9 99.4 -90.2-160.9 5.1 34.6 28.9 37 37 A D 0 0 50 1,-0.2 7,-1.4 6,-0.1 -2,-0.1 0.912 360.0 360.0 77.3 92.6 4.5 37.6 31.2 38 38 A V 0 0 68 5,-0.2 -1,-0.2 224,-0.1 -2,-0.0 -0.980 360.0 360.0-137.8 360.0 5.1 36.7 34.9 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 40 A H 0 0 110 0, 0.0 -2,-0.0 0, 0.0 179,-0.0 0.000 360.0 360.0 360.0 -69.2 8.5 37.6 40.2 41 41 A E + 0 0 50 1,-0.1 -3,-0.0 2,-0.0 0, 0.0 0.262 360.0 98.5-159.8 9.4 7.7 33.9 40.0 42 42 A I S S- 0 0 5 176,-0.0 212,-0.1 212,-0.0 211,-0.1 -0.911 71.7-117.6-114.6 128.5 4.0 33.6 39.4 43 43 A P - 0 0 47 0, 0.0 212,-1.5 0, 0.0 2,-0.3 -0.366 29.4-143.2 -61.1 135.3 2.3 33.1 36.0 44 44 A V E -f 255 0B 9 -7,-1.4 212,-0.2 210,-0.2 3,-0.1 -0.734 10.0-121.7-103.9 149.9 -0.0 35.9 34.9 45 45 A L E -f 256 0B 1 210,-2.6 212,-0.5 -2,-0.3 32,-0.2 -0.619 42.3 -84.6 -88.4 149.4 -3.3 35.6 33.0 46 46 A P - 0 0 16 0, 0.0 2,-0.6 0, 0.0 211,-0.3 -0.079 46.5-103.9 -51.4 148.5 -3.8 37.3 29.6 47 47 A N > - 0 0 54 1,-0.2 3,-1.1 209,-0.1 4,-0.1 -0.687 20.8-153.8 -82.2 118.3 -5.0 41.0 29.6 48 48 A R G > S+ 0 0 94 -2,-0.6 3,-1.7 1,-0.2 -1,-0.2 0.856 82.9 80.9 -56.6 -38.6 -8.7 41.3 28.7 49 49 A V G 3 S+ 0 0 122 1,-0.3 -1,-0.2 -3,-0.1 -2,-0.0 0.765 116.1 7.1 -39.8 -41.4 -8.2 44.8 27.4 50 50 A G G < S+ 0 0 64 -3,-1.1 -1,-0.3 2,-0.1 -2,-0.2 -0.039 88.6 138.9-139.4 36.8 -6.9 43.5 24.0 51 51 A L < - 0 0 32 -3,-1.7 5,-0.1 -4,-0.1 26,-0.0 -0.739 53.2-120.1 -88.7 122.9 -7.4 39.7 24.1 52 52 A P > - 0 0 65 0, 0.0 3,-2.2 0, 0.0 -2,-0.1 -0.305 15.5-124.3 -61.0 141.7 -8.6 38.3 20.7 53 53 A I G > S+ 0 0 39 1,-0.3 3,-2.0 2,-0.2 4,-0.5 0.875 110.0 62.2 -53.1 -42.4 -11.9 36.4 20.8 54 54 A N G 3 S+ 0 0 49 1,-0.3 -1,-0.3 2,-0.1 -3,-0.0 0.569 112.5 37.1 -62.8 -11.2 -10.3 33.3 19.3 55 55 A Q G < S+ 0 0 97 -3,-2.2 -1,-0.3 -49,-0.1 -2,-0.2 -0.028 94.1 92.1-129.9 30.3 -8.1 33.1 22.4 56 56 A R S < S+ 0 0 12 -3,-2.0 20,-2.3 1,-0.1 21,-0.4 0.715 80.4 45.0 -98.5 -24.1 -10.6 34.2 25.0 57 57 A F E - B 0 75A 3 -4,-0.5 2,-0.4 18,-0.2 18,-0.2 -0.910 52.2-159.6-130.8 155.4 -12.1 30.9 26.2 58 58 A I E - B 0 74A 9 16,-2.2 16,-3.0 -2,-0.3 2,-0.4 -0.990 20.0-142.9-127.1 130.7 -11.2 27.4 27.2 59 59 A L E -aB 8 73A 20 -52,-3.3 -50,-2.3 -2,-0.4 2,-0.5 -0.836 11.1-166.7-100.0 134.4 -13.7 24.5 27.2 60 60 A V E -aB 9 72A 0 12,-2.7 12,-3.0 -2,-0.4 2,-0.8 -0.976 7.7-154.7-122.3 116.1 -13.8 21.8 29.8 61 61 A E E -aB 10 71A 56 -52,-2.1 -50,-2.1 -2,-0.5 2,-0.5 -0.814 8.6-161.5 -95.9 107.1 -15.9 18.7 29.1 62 62 A L E -aB 11 70A 2 8,-2.9 8,-2.0 -2,-0.8 2,-0.4 -0.752 5.3-164.0 -88.6 130.0 -17.0 17.0 32.4 63 63 A S E -aB 12 69A 20 -52,-2.5 -50,-2.0 -2,-0.5 -49,-0.3 -0.962 7.0-146.8-117.7 131.3 -18.1 13.4 32.0 64 64 A N > - 0 0 10 4,-0.9 3,-2.4 -2,-0.4 4,-0.2 -0.583 29.9-105.7 -97.5 160.6 -20.1 11.6 34.6 65 65 A H T 3 S+ 0 0 128 1,-0.3 -1,-0.1 -2,-0.2 -53,-0.0 0.642 124.3 50.8 -53.6 -19.5 -20.1 7.9 35.7 66 66 A A T 3 S- 0 0 71 2,-0.1 -1,-0.3 0, 0.0 -2,-0.0 -0.027 126.0-100.5-110.1 27.2 -23.4 7.7 33.9 67 67 A E S < S+ 0 0 141 -3,-2.4 2,-0.6 1,-0.2 -2,-0.2 0.931 70.9 150.2 52.2 55.1 -22.1 9.2 30.7 68 68 A L - 0 0 16 -4,-0.2 -4,-0.9 2,-0.0 2,-0.3 -0.945 28.8-160.5-118.0 104.1 -23.6 12.7 31.3 69 69 A S E -B 63 0A 34 -2,-0.6 2,-0.4 -6,-0.2 18,-0.3 -0.651 12.0-176.4 -90.0 146.0 -21.4 15.3 29.7 70 70 A V E -B 62 0A 0 -8,-2.0 -8,-2.9 -2,-0.3 2,-0.8 -0.977 16.0-147.7-141.0 121.5 -21.4 19.0 30.6 71 71 A T E -BC 61 85A 28 14,-1.9 14,-2.2 -2,-0.4 2,-0.4 -0.829 15.4-164.8 -96.9 106.7 -19.2 21.6 28.7 72 72 A L E -BC 60 84A 1 -12,-3.0 -12,-2.7 -2,-0.8 2,-0.6 -0.774 8.8-146.7 -92.3 132.7 -18.0 24.4 31.0 73 73 A A E -BC 59 83A 0 10,-2.9 9,-2.8 -2,-0.4 10,-1.0 -0.888 15.0-164.8-101.6 120.8 -16.7 27.5 29.4 74 74 A L E -BC 58 81A 1 -16,-3.0 -16,-2.2 -2,-0.6 2,-0.6 -0.891 21.8-123.6-108.8 136.5 -13.9 29.2 31.3 75 75 A D E >> -B 57 0A 10 5,-2.7 4,-2.7 -2,-0.4 3,-1.6 -0.673 16.7-146.5 -77.9 119.3 -12.7 32.8 30.7 76 76 A V T 34 S+ 0 0 5 -20,-2.3 -1,-0.1 -2,-0.6 -42,-0.1 0.663 93.9 59.2 -61.4 -17.7 -8.9 32.5 30.0 77 77 A T T 34 S+ 0 0 8 -21,-0.4 180,-0.3 -32,-0.2 -1,-0.3 0.622 127.2 10.4 -88.0 -13.7 -8.3 35.9 31.7 78 78 A N T <4 S- 0 0 50 -3,-1.6 -2,-0.2 2,-0.2 -1,-0.1 0.372 89.7-127.8-141.8 -3.3 -9.7 34.9 35.1 79 79 A A < + 0 0 1 -4,-2.7 2,-0.2 1,-0.2 -3,-0.1 0.518 64.1 137.1 62.9 9.0 -10.2 31.1 34.9 80 80 A Y - 0 0 29 -5,-0.4 -5,-2.7 1,-0.1 2,-0.3 -0.501 62.9-101.4 -87.9 154.0 -13.8 31.6 36.1 81 81 A V E +C 74 0A 4 -7,-0.2 -7,-0.2 -2,-0.2 3,-0.1 -0.572 35.0 176.9 -74.8 127.8 -16.8 29.9 34.7 82 82 A V E - 0 0 21 -9,-2.8 11,-2.7 1,-0.4 2,-0.3 0.694 62.0 -44.2-101.5 -27.4 -18.8 32.1 32.3 83 83 A G E -CD 73 92A 0 -10,-1.0 -10,-2.9 9,-0.3 -1,-0.4 -0.971 52.2-128.6 176.9-179.6 -21.4 29.5 31.3 84 84 A Y E -CD 72 91A 0 7,-2.4 7,-2.8 -2,-0.3 2,-0.4 -0.986 9.9-131.0-151.7 159.2 -22.1 25.9 30.2 85 85 A R E +CD 71 90A 64 -14,-2.2 -14,-1.9 -2,-0.3 2,-0.4 -0.937 20.9 178.2-115.5 135.3 -23.8 23.8 27.6 86 86 A A E > - D 0 89A 2 3,-2.5 3,-1.5 -2,-0.4 2,-0.5 -0.976 62.5 -42.7-138.4 119.6 -26.0 20.8 28.4 87 87 A G T 3 S- 0 0 36 -2,-0.4 66,-0.0 -18,-0.3 69,-0.0 -0.477 125.8 -21.1 65.7-113.1 -27.8 18.8 25.7 88 88 A N T 3 S+ 0 0 90 -2,-0.5 25,-2.6 67,-0.1 24,-0.3 -0.111 122.9 81.8-120.0 33.0 -29.0 21.4 23.2 89 89 A S E < -De 86 113A 10 -3,-1.5 -3,-2.5 23,-0.2 2,-0.4 -0.964 57.4-152.8-138.7 153.6 -29.0 24.4 25.5 90 90 A A E -De 85 114A 0 23,-1.3 25,-3.2 -2,-0.3 2,-0.4 -0.985 7.3-166.9-128.4 136.2 -26.5 26.9 26.8 91 91 A Y E -De 84 115A 17 -7,-2.8 -7,-2.4 -2,-0.4 2,-0.3 -0.986 8.5-174.5-127.6 122.2 -26.7 28.8 30.1 92 92 A F E -De 83 116A 1 23,-1.2 25,-2.7 -2,-0.4 -9,-0.3 -0.847 28.6-112.5-117.1 151.4 -24.5 31.8 30.9 93 93 A F - 0 0 11 -11,-2.7 27,-0.2 -2,-0.3 28,-0.1 -0.585 56.9 -81.5 -77.1 143.1 -24.0 33.9 34.0 94 94 A H - 0 0 97 25,-2.6 2,-0.3 -2,-0.2 27,-0.3 -0.224 50.4-112.5 -49.3 117.7 -25.3 37.5 33.6 95 95 A P - 0 0 34 0, 0.0 -1,-0.1 0, 0.0 6,-0.1 -0.364 24.1-160.6 -57.8 111.0 -22.6 39.5 31.8 96 96 A D S S+ 0 0 159 -2,-0.3 2,-0.4 1,-0.1 -2,-0.1 0.816 79.2 40.7 -62.7 -30.7 -21.4 42.0 34.4 97 97 A N S >> S- 0 0 39 1,-0.1 4,-1.1 -3,-0.0 3,-0.9 -0.973 77.9-133.7-126.7 137.2 -19.9 44.0 31.5 98 98 A Q H 3> S+ 0 0 179 -2,-0.4 4,-1.2 1,-0.3 3,-0.2 0.797 107.5 57.3 -54.1 -34.9 -21.4 44.8 28.1 99 99 A E H 3> S+ 0 0 130 1,-0.2 4,-1.0 2,-0.2 -1,-0.3 0.859 100.6 56.8 -67.5 -35.7 -18.1 44.0 26.4 100 100 A D H <> S+ 0 0 31 -3,-0.9 4,-2.9 1,-0.2 3,-0.3 0.829 99.8 60.1 -64.5 -30.8 -18.1 40.5 27.9 101 101 A A H X S+ 0 0 35 -4,-1.1 4,-2.0 1,-0.2 -1,-0.2 0.938 99.0 56.6 -61.3 -43.9 -21.5 40.0 26.2 102 102 A E H < S+ 0 0 100 -4,-1.2 -1,-0.2 1,-0.2 -2,-0.2 0.821 111.8 43.8 -55.6 -34.2 -19.8 40.6 22.9 103 103 A A H >< S+ 0 0 0 -4,-1.0 3,-2.3 -3,-0.3 -2,-0.2 0.937 106.9 57.4 -77.4 -49.4 -17.4 37.8 23.8 104 104 A I H >< S+ 0 0 16 -4,-2.9 3,-2.2 1,-0.3 -2,-0.2 0.816 92.4 71.3 -51.4 -36.6 -20.1 35.3 25.1 105 105 A T T 3< S+ 0 0 81 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.1 0.533 91.7 60.0 -61.3 -5.3 -21.9 35.5 21.8 106 106 A H T < S+ 0 0 44 -3,-2.3 -1,-0.3 2,-0.1 3,-0.2 0.282 91.5 81.4-105.5 8.6 -19.1 33.5 20.2 107 107 A L S < S- 0 0 12 -3,-2.2 2,-2.7 1,-0.2 3,-0.3 0.704 102.0 -0.4 -81.6-117.1 -19.5 30.4 22.5 108 108 A F S > S+ 0 0 11 1,-0.2 3,-1.1 -4,-0.2 -1,-0.2 -0.333 76.1 150.1 -76.3 63.1 -22.1 27.7 22.0 109 109 A T T 3 + 0 0 53 -2,-2.7 -1,-0.2 1,-0.2 -2,-0.1 0.855 62.6 62.4 -63.8 -37.5 -23.6 29.3 18.9 110 110 A D T 3 S+ 0 0 107 -3,-0.3 -1,-0.2 -108,-0.0 -2,-0.1 0.587 81.2 105.9 -66.8 -13.6 -24.6 25.9 17.4 111 111 A V < - 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0 0 84 -2,-0.3 3,-2.2 -3,-0.1 4,-1.3 -0.746 32.5-107.6-111.5 161.1 13.0 62.0 -5.0 401 134 B R T 34 S+ 0 0 14 1,-0.3 3,-0.3 -2,-0.3 -1,-0.1 0.854 118.3 65.7 -54.2 -34.5 9.5 61.2 -3.6 402 135 B E T 34 S+ 0 0 91 1,-0.2 -1,-0.3 64,-0.1 64,-0.1 0.329 109.8 37.8 -72.0 9.0 8.4 60.3 -7.2 403 136 B N T <4 S+ 0 0 96 -3,-2.2 2,-0.6 62,-0.1 -1,-0.2 0.469 96.9 90.3-129.4 -22.4 10.9 57.4 -7.0 404 137 B I S < S- 0 0 6 -4,-1.3 2,-0.1 -3,-0.3 61,-0.1 -0.724 73.0-137.6 -85.6 117.7 10.4 56.3 -3.4 405 138 B E - 0 0 86 -2,-0.6 61,-0.3 61,-0.2 2,-0.3 -0.380 16.4-157.1 -74.3 152.5 7.7 53.7 -3.1 406 139 B L B +R 465 0I 0 59,-2.3 59,-1.1 -2,-0.1 2,-0.2 -0.841 35.9 91.2-126.4 163.3 5.1 53.7 -0.3 407 140 B G S > S- 0 0 0 -2,-0.3 4,-2.1 57,-0.2 5,-0.2 -0.747 87.0 -59.6 138.3 176.2 2.9 51.1 1.3 408 141 B N H > S+ 0 0 32 -2,-0.2 4,-2.4 55,-0.2 5,-0.2 0.876 131.0 54.5 -58.5 -38.8 3.0 48.6 4.2 409 142 B G H > S+ 0 0 26 2,-0.2 4,-2.0 1,-0.2 3,-0.3 0.986 110.1 42.2 -58.5 -64.0 6.1 47.0 2.7 410 143 B P H > S+ 0 0 2 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.817 113.1 56.8 -53.1 -34.2 8.2 50.2 2.5 411 144 B L H X S+ 0 0 4 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.950 105.0 49.5 -64.1 -48.6 7.0 51.2 5.9 412 145 B E H X S+ 0 0 74 -4,-2.4 4,-2.0 -3,-0.3 -1,-0.2 0.927 114.5 44.9 -55.7 -48.5 8.2 47.9 7.5 413 146 B E H X S+ 0 0 97 -4,-2.0 4,-2.7 1,-0.2 -1,-0.2 0.893 111.3 53.7 -63.7 -40.1 11.6 48.4 5.9 414 147 B A H X S+ 0 0 1 -4,-2.5 4,-2.3 -5,-0.2 -2,-0.2 0.914 107.6 50.2 -61.2 -45.7 11.7 52.1 6.9 415 148 B I H X S+ 0 0 2 -4,-2.7 4,-2.4 2,-0.2 -1,-0.2 0.940 112.1 47.8 -58.4 -48.3 11.0 51.3 10.5 416 149 B S H X S+ 0 0 30 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.940 110.8 50.1 -59.1 -49.5 13.8 48.7 10.6 417 150 B A H < S+ 0 0 27 -4,-2.7 -1,-0.2 1,-0.2 4,-0.2 0.887 111.6 49.6 -57.3 -41.2 16.3 51.0 8.9 418 151 B L H >< S+ 0 0 0 -4,-2.3 3,-1.2 -5,-0.2 4,-0.4 0.912 109.3 51.8 -64.8 -44.3 15.5 53.7 11.4 419 152 B Y H >< S+ 0 0 72 -4,-2.4 3,-1.2 1,-0.3 4,-0.3 0.941 105.7 53.4 -58.6 -51.2 15.9 51.3 14.4 420 153 B Y T 3X>S+ 0 0 113 -4,-2.4 5,-2.6 1,-0.2 4,-1.6 0.443 82.6 91.8 -68.1 2.1 19.4 50.1 13.4 421 154 B Y T <45S+ 0 0 39 -3,-1.2 -1,-0.2 1,-0.2 3,-0.2 0.929 87.6 47.8 -63.1 -41.0 20.6 53.7 13.1 422 155 B S T <45S+ 0 0 43 -3,-1.2 -1,-0.2 -4,-0.4 -2,-0.2 0.734 112.1 49.9 -70.6 -25.5 21.8 53.5 16.8 423 156 B T T 45S- 0 0 93 -4,-0.3 -1,-0.2 -3,-0.2 -2,-0.2 0.721 128.4 -86.3 -87.0 -24.5 23.5 50.1 16.2 424 157 B G T <5S+ 0 0 49 -4,-1.6 -3,-0.2 -3,-0.2 -2,-0.1 0.362 94.2 116.0 135.3 -5.3 25.5 51.0 13.2 425 158 B G < + 0 0 41 -5,-2.6 -4,-0.2 1,-0.1 -3,-0.1 0.931 42.7 142.1 -55.9 -44.9 23.2 50.5 10.2 426 159 B T + 0 0 64 -6,-0.6 -1,-0.1 -5,-0.1 -4,-0.1 -0.047 14.0 157.4 40.8-134.4 23.4 54.2 9.6 427 160 B Q >> - 0 0 119 3,-0.1 4,-2.7 -3,-0.1 3,-0.9 0.931 35.6-145.4 77.4 86.3 23.6 54.9 5.8 428 161 B L H 3> S+ 0 0 71 1,-0.3 4,-1.8 2,-0.2 5,-0.2 0.726 97.5 54.0 -56.7 -28.9 22.4 58.5 5.4 429 162 B P H 3> S+ 0 0 49 0, 0.0 4,-1.7 0, 0.0 -1,-0.3 0.862 114.8 41.1 -72.0 -32.3 20.7 57.8 2.1 430 163 B T H <> S+ 0 0 44 -3,-0.9 4,-2.2 2,-0.2 -2,-0.2 0.866 114.4 51.8 -79.8 -38.8 18.7 55.0 3.7 431 164 B L H X S+ 0 0 2 -4,-2.7 4,-1.7 2,-0.2 -3,-0.2 0.954 114.1 43.4 -61.4 -50.0 18.0 56.9 6.9 432 165 B A H X S+ 0 0 0 -4,-1.8 4,-2.3 1,-0.2 3,-0.2 0.931 112.1 52.4 -62.4 -48.0 16.7 59.9 4.9 433 166 B R H X S+ 0 0 88 -4,-1.7 4,-1.9 1,-0.2 -1,-0.2 0.883 107.1 53.9 -56.6 -40.0 14.7 57.7 2.5 434 167 B S H X S+ 0 0 6 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.887 107.1 51.2 -62.1 -40.1 13.1 56.0 5.5 435 168 B F H X S+ 0 0 1 -4,-1.7 4,-3.0 -3,-0.2 5,-0.3 0.927 105.3 55.9 -62.6 -44.9 12.0 59.4 6.9 436 169 B I H X S+ 0 0 0 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.909 111.0 45.3 -52.6 -46.2 10.4 60.3 3.6 437 170 B I H X S+ 0 0 11 -4,-1.9 4,-2.6 2,-0.2 5,-0.2 0.963 114.0 46.3 -63.4 -55.5 8.3 57.1 3.8 438 171 B C H X S+ 0 0 1 -4,-2.5 4,-1.0 1,-0.2 5,-0.5 0.876 112.1 51.5 -56.7 -42.0 7.3 57.6 7.5 439 172 B I H >X>S+ 0 0 0 -4,-3.0 5,-1.7 2,-0.2 4,-0.7 0.958 113.9 42.0 -61.8 -53.2 6.4 61.2 7.0 440 173 B Q H 3<>S+ 0 0 0 -4,-2.0 5,-1.0 -5,-0.3 -2,-0.2 0.948 115.6 48.7 -60.1 -50.7 4.1 60.7 4.0 441 174 B M H 3<5S+ 0 0 2 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.614 130.1 18.9 -67.4 -14.6 2.4 57.6 5.4 442 175 B I H X5S+ 0 0 0 -4,-0.7 4,-1.9 -5,-0.5 3,-0.9 0.970 126.9 39.4 -54.8 -62.6 1.9 63.1 8.8 444 177 B E H 3> S+ 0 0 70 69,-1.3 4,-2.2 -2,-0.5 70,-0.2 0.824 98.2 60.9 -65.1 -30.9 -7.9 62.4 3.5 450 183 B Y H > S+ 0 0 57 68,-1.7 4,-2.1 2,-0.2 -1,-0.2 0.931 105.8 43.9 -61.0 -48.7 -6.9 61.9 -0.1 451 184 B I H > S+ 0 0 0 -7,-0.3 4,-2.3 67,-0.3 5,-0.2 0.890 109.5 57.3 -65.3 -38.1 -3.5 60.6 0.8 452 185 B E H X S+ 0 0 6 -4,-2.1 4,-2.4 -7,-0.4 -1,-0.2 0.923 108.1 48.2 -57.3 -43.2 -5.0 58.5 3.5 453 186 B G H X S+ 0 0 17 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.908 106.6 56.6 -63.0 -42.5 -7.1 56.9 0.8 454 187 B E H X S+ 0 0 17 -4,-2.1 4,-1.8 1,-0.2 -2,-0.2 0.908 111.0 43.3 -54.6 -46.5 -4.0 56.4 -1.4 455 188 B M H X S+ 0 0 1 -4,-2.3 4,-2.5 2,-0.2 5,-0.2 0.907 110.2 56.3 -67.1 -42.5 -2.3 54.4 1.4 456 189 B R H X S+ 0 0 76 -4,-2.4 4,-2.3 -5,-0.2 -2,-0.2 0.885 107.1 50.2 -56.6 -40.9 -5.5 52.5 2.1 457 190 B T H X S+ 0 0 65 -4,-2.4 4,-1.8 2,-0.2 -1,-0.2 0.928 109.7 50.2 -64.2 -46.6 -5.6 51.3 -1.5 458 191 B R H <>S+ 0 0 16 -4,-1.8 5,-2.4 1,-0.2 4,-0.5 0.932 112.3 46.2 -58.2 -49.1 -2.0 50.2 -1.5 459 192 B I H ><5S+ 0 0 19 -4,-2.5 3,-1.4 1,-0.2 -1,-0.2 0.934 108.6 57.2 -60.3 -45.5 -2.4 48.1 1.7 460 193 B R H 3<5S+ 0 0 166 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.842 118.3 31.2 -54.6 -40.5 -5.7 46.6 0.4 461 194 B Y T 3<5S- 0 0 152 -4,-1.8 -1,-0.3 -3,-0.2 -2,-0.2 0.259 107.1-120.4-105.0 12.6 -3.9 45.2 -2.7 462 195 B N T < 5 + 0 0 146 -3,-1.4 2,-0.4 -4,-0.5 -3,-0.2 0.889 62.9 149.4 49.9 45.2 -0.5 44.7 -1.1 463 196 B R < - 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