==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-MAR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 18-JAN-13 4ITJ . COMPND 2 MOLECULE: RECEPTOR-INTERACTING SERINE/THREONINE-PROTEIN KIN . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR T.XIE,W.PENG,Y.LIU,C.YAN,Y.SHI . 537 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25445.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 367 68.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 10 1.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 69 12.8 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 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 41 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 67 12.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 166 30.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 1.9 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 2 1 0 1 1 3 0 2 0 0 2 0 2 0 0 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 3 0 2 1 0 3 3 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 . 0 0 2 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 8 A N 0 0 146 0, 0.0 2,-0.2 0, 0.0 47,-0.0 0.000 360.0 360.0 360.0 155.9 9.0 -13.2 49.2 2 9 A V - 0 0 5 45,-0.1 2,-0.3 1,-0.1 49,-0.1 -0.510 360.0-102.3 -74.6 145.1 12.6 -13.5 50.5 3 10 A I - 0 0 101 61,-0.3 64,-2.0 -2,-0.2 2,-0.6 -0.517 32.8-136.8 -64.6 126.1 14.7 -16.4 49.6 4 11 A K E -a 67 0A 110 -2,-0.3 2,-0.3 62,-0.2 64,-0.2 -0.796 26.8-170.7 -88.3 125.9 14.9 -18.9 52.4 5 12 A M E -a 68 0A 10 62,-3.5 64,-0.5 -2,-0.6 2,-0.3 -0.786 13.0-142.4-117.6 160.6 18.4 -20.2 52.9 6 13 A K > - 0 0 119 -2,-0.3 3,-1.8 62,-0.1 4,-0.1 -0.879 21.9-126.4-120.8 151.3 20.0 -22.9 55.0 7 14 A S G > S+ 0 0 37 -2,-0.3 3,-1.1 1,-0.3 -1,-0.1 0.775 113.2 60.2 -66.1 -25.2 23.3 -23.0 56.9 8 15 A S G 3 S+ 0 0 84 1,-0.3 -1,-0.3 14,-0.0 15,-0.0 0.331 88.7 71.6 -85.1 5.5 24.0 -26.2 55.0 9 16 A D G < S+ 0 0 41 -3,-1.8 14,-2.8 2,-0.1 15,-0.3 0.439 93.2 78.2 -90.4 -4.6 23.7 -24.3 51.8 10 17 A F B < -B 22 0A 22 -3,-1.1 12,-0.2 12,-0.3 2,-0.1 -0.782 59.6-165.6-113.3 151.9 27.0 -22.7 52.8 11 18 A L 0 0 112 10,-3.1 -1,-0.1 1,-0.4 -2,-0.1 -0.067 360.0 360.0-104.8-151.8 30.6 -23.8 52.7 12 19 A E 0 0 105 8,-0.1 9,-2.9 -2,-0.1 -1,-0.4 0.095 360.0 360.0 -70.5 360.0 33.6 -22.1 54.5 13 ! 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 14 28 A F 0 0 105 0, 0.0 2,-0.1 0, 0.0 131,-0.1 0.000 360.0 360.0 360.0 120.7 27.4 -5.9 63.7 15 29 A G - 0 0 36 18,-0.1 2,-1.0 16,-0.1 18,-0.2 -0.333 360.0 -39.9 77.4-172.5 26.4 -9.5 64.6 16 30 A K E S- C 0 32A 54 16,-2.9 16,-2.8 -2,-0.1 2,-0.6 -0.798 70.0-161.1 -83.9 105.7 28.8 -12.3 63.5 17 31 A V E + C 0 31A 83 -2,-1.0 2,-0.4 14,-0.2 14,-0.2 -0.816 15.3 174.1 -97.1 119.5 29.8 -11.1 60.0 18 32 A S E - C 0 30A 61 12,-2.8 12,-3.0 -2,-0.6 2,-0.6 -0.978 37.1-131.3-131.9 129.6 31.3 -13.8 57.8 19 33 A L E - C 0 29A 81 -2,-0.4 2,-0.4 10,-0.2 10,-0.2 -0.718 43.4-172.0 -68.4 117.7 32.4 -14.0 54.2 20 34 A A E - C 0 28A 5 8,-2.6 8,-2.2 -2,-0.6 2,-0.9 -0.973 24.3-138.5-127.1 133.1 30.6 -17.2 53.3 21 35 A F E - C 0 27A 94 -9,-2.9 -10,-3.1 -2,-0.4 2,-0.3 -0.770 17.9-146.4 -91.5 106.2 30.7 -19.3 50.1 22 36 A H E > -BC 10 26A 16 4,-2.8 4,-2.1 -2,-0.9 -12,-0.3 -0.566 18.8-127.3 -69.0 131.4 27.3 -20.5 49.1 23 37 A R T 4 S+ 0 0 160 -14,-2.8 -1,-0.1 -2,-0.3 -13,-0.1 0.577 102.2 20.0 -62.0 -11.5 27.7 -24.0 47.5 24 38 A T T 4 S+ 0 0 123 -15,-0.3 -1,-0.2 2,-0.2 -14,-0.1 0.654 131.2 37.3-122.3 -38.3 25.8 -22.9 44.4 25 39 A Q T 4 S- 0 0 122 1,-0.3 -2,-0.2 0, 0.0 2,-0.1 0.418 95.1-138.2-108.0 -1.8 25.8 -19.1 44.2 26 40 A G E < +C 22 0A 13 -4,-2.1 -4,-2.8 2,-0.0 -1,-0.3 -0.395 55.3 16.3 84.8-155.1 29.3 -18.3 45.4 27 41 A L E +C 21 0A 74 -6,-0.2 53,-0.5 -2,-0.1 2,-0.3 -0.327 64.1 152.2 -69.4 130.9 30.6 -15.6 47.8 28 42 A M E -CD 20 79A 6 -8,-2.2 -8,-2.6 51,-0.2 2,-0.6 -0.882 43.5-109.4-142.0 173.4 28.1 -13.7 50.0 29 43 A I E -CD 19 78A 30 49,-2.9 49,-2.8 -2,-0.3 2,-0.6 -0.957 27.2-160.7-112.4 121.0 28.2 -11.9 53.3 30 44 A M E -CD 18 77A 24 -12,-3.0 -12,-2.8 -2,-0.6 2,-0.8 -0.896 5.1-165.9-101.8 122.9 26.3 -13.6 56.1 31 45 A K E -CD 17 76A 19 45,-3.1 45,-2.6 -2,-0.6 2,-0.8 -0.911 9.0-162.1-103.1 97.9 25.4 -11.5 59.1 32 46 A T E +CD 16 75A 6 -16,-2.8 -16,-2.9 -2,-0.8 43,-0.3 -0.780 11.4 179.2 -81.5 113.7 24.5 -14.0 61.8 33 47 A V E + 0 0 7 41,-1.7 2,-0.3 -2,-0.8 -1,-0.2 0.700 60.1 28.0 -92.1 -19.9 22.5 -11.9 64.2 34 48 A Y E + D 0 74A 48 40,-1.5 40,-2.0 -18,-0.1 2,-0.3 -0.998 44.7 164.8-149.7 138.4 21.7 -14.6 66.7 35 49 A K E + D 0 73A 140 -2,-0.3 38,-0.2 38,-0.2 37,-0.1 -0.890 50.7 67.7-146.9 119.7 22.9 -17.9 68.1 36 50 A G S S+ 0 0 36 36,-1.9 3,-0.1 -2,-0.3 -2,-0.0 -0.971 77.5 6.0 168.9-155.1 21.4 -19.2 71.3 37 51 A P S S- 0 0 101 0, 0.0 35,-0.1 0, 0.0 -1,-0.0 -0.183 83.6 -86.2 -56.4 147.1 18.3 -20.6 73.0 38 52 A N + 0 0 107 33,-0.1 33,-0.1 1,-0.1 3,-0.0 -0.225 48.0 169.9 -52.7 142.5 15.3 -21.3 70.8 39 53 A C >> + 0 0 21 -3,-0.1 3,-1.4 1,-0.0 4,-0.5 -0.288 11.8 155.2-154.7 56.8 13.0 -18.3 70.3 40 54 A I G >4 + 0 0 115 1,-0.3 3,-0.6 2,-0.2 4,-0.5 0.719 63.4 79.3 -66.1 -21.1 10.5 -19.3 67.6 41 55 A E G 34 S+ 0 0 98 1,-0.2 4,-0.4 2,-0.1 -1,-0.3 0.860 93.0 50.9 -51.8 -38.8 8.0 -16.8 68.9 42 56 A H G X> S+ 0 0 94 -3,-1.4 4,-1.6 1,-0.2 3,-0.6 0.867 87.6 90.9 -63.6 -36.7 10.0 -14.1 67.0 43 57 A N H S+ 0 0 172 -4,-0.5 4,-2.9 1,-0.2 -1,-0.2 0.912 114.5 46.6 -38.4 -61.8 6.9 -14.7 61.9 45 59 A A H <> S+ 0 0 40 -3,-0.6 4,-3.3 -4,-0.4 -1,-0.2 0.916 112.1 50.1 -50.9 -55.4 7.8 -11.1 62.6 46 60 A L H X S+ 0 0 2 -4,-1.6 4,-2.8 1,-0.2 -1,-0.2 0.916 111.8 47.4 -48.6 -53.1 11.4 -11.6 61.5 47 61 A L H X S+ 0 0 41 -4,-2.8 4,-2.4 1,-0.2 -1,-0.2 0.944 112.9 49.1 -57.7 -50.8 10.4 -13.2 58.2 48 62 A E H X S+ 0 0 97 -4,-2.9 4,-2.5 -5,-0.2 -1,-0.2 0.915 109.4 52.1 -55.3 -46.5 7.9 -10.5 57.5 49 63 A E H X S+ 0 0 24 -4,-3.3 4,-2.9 1,-0.2 5,-0.3 0.936 107.6 52.5 -59.2 -45.3 10.4 -7.8 58.2 50 64 A A H X S+ 0 0 0 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.936 108.1 50.9 -55.7 -45.7 12.8 -9.4 55.8 51 65 A K H X S+ 0 0 38 -4,-2.4 4,-0.5 1,-0.2 -1,-0.2 0.937 110.4 49.5 -60.0 -43.3 10.2 -9.4 53.1 52 66 A M H >< S+ 0 0 91 -4,-2.5 3,-1.8 1,-0.3 4,-0.3 0.951 112.8 46.0 -59.9 -47.2 9.5 -5.8 53.7 53 67 A M H >< S+ 0 0 32 -4,-2.9 3,-1.1 1,-0.3 -1,-0.3 0.757 104.5 64.1 -72.6 -20.5 13.1 -4.8 53.5 54 68 A N H 3< S+ 0 0 25 -4,-2.2 -1,-0.3 -5,-0.3 -2,-0.2 0.582 86.3 71.7 -77.9 -8.3 13.5 -7.0 50.4 55 69 A R T << S+ 0 0 141 -3,-1.8 2,-1.2 -4,-0.5 -1,-0.2 0.628 75.0 91.7 -81.5 -8.1 11.2 -4.7 48.5 56 70 A L < + 0 0 34 -3,-1.1 2,-0.4 -4,-0.3 -1,-0.1 -0.718 57.9 158.8 -87.1 93.9 13.9 -2.1 48.5 57 71 A R + 0 0 82 -2,-1.2 2,-0.3 6,-0.1 5,-0.1 -0.971 3.9 127.6-128.4 122.6 15.6 -2.9 45.2 58 72 A H > - 0 0 35 -2,-0.4 3,-1.6 3,-0.4 53,-0.0 -0.970 65.6-102.2-166.3 156.5 17.8 -0.6 43.1 59 73 A S T 3 S+ 0 0 8 -2,-0.3 52,-0.1 1,-0.3 48,-0.0 0.743 119.2 50.1 -61.9 -19.7 21.3 -0.6 41.6 60 74 A R T 3 S+ 0 0 22 79,-0.1 80,-2.9 50,-0.1 2,-0.3 0.167 99.9 69.8-111.5 17.7 22.6 1.5 44.4 61 75 A V B < S-f 140 0B 7 -3,-1.6 -3,-0.4 78,-0.3 80,-0.2 -0.982 87.4-104.9-128.4 148.2 21.3 -0.4 47.4 62 76 A V - 0 0 24 78,-2.2 2,-0.4 -2,-0.3 -2,-0.1 -0.308 33.5-121.5 -71.7 153.9 22.5 -3.8 48.6 63 77 A K - 0 0 38 -6,-0.1 16,-1.7 78,-0.0 2,-0.9 -0.779 5.5-135.5 -98.2 135.9 20.5 -6.9 48.1 64 78 A L E - E 0 78A 19 -2,-0.4 14,-0.3 14,-0.2 -61,-0.3 -0.827 24.1-175.3 -80.3 108.3 19.2 -9.2 50.7 65 79 A L E - 0 0 46 12,-2.2 2,-0.3 -2,-0.9 13,-0.2 0.784 56.8 -34.8 -81.4 -28.9 20.1 -12.5 49.0 66 80 A G E - E 0 77A 0 11,-2.1 11,-3.0 -3,-0.1 2,-0.4 -0.992 48.1-119.1-174.6 174.7 18.4 -14.6 51.7 67 81 A V E -aE 4 76A 1 -64,-2.0 -62,-3.5 -2,-0.3 2,-0.6 -0.982 13.7-150.0-128.2 142.5 17.5 -15.3 55.3 68 82 A I E +aE 5 75A 0 7,-2.7 7,-2.3 -2,-0.4 2,-0.6 -0.968 16.4 178.2-111.1 115.4 18.4 -18.2 57.5 69 83 A I E + E 0 74A 48 -2,-0.6 2,-0.3 -64,-0.5 5,-0.2 -0.830 22.3 148.3-119.3 88.3 15.7 -19.0 60.0 70 84 A E E > - E 0 73A 60 3,-2.8 3,-2.2 -2,-0.6 2,-0.5 -0.768 60.3 -67.4-119.4 163.9 16.9 -22.0 62.0 71 85 A E T 3 S- 0 0 141 1,-0.3 -33,-0.1 -2,-0.3 -35,-0.1 -0.310 119.4 -19.8 -52.5 102.0 16.5 -23.3 65.6 72 86 A G T 3 S+ 0 0 7 -2,-0.5 -36,-1.9 1,-0.1 2,-0.4 0.663 122.4 98.1 67.8 14.8 18.4 -20.7 67.6 73 87 A K E < +DE 35 70A 26 -3,-2.2 -3,-2.8 -38,-0.2 2,-0.4 -0.971 46.6 175.1-133.3 123.9 20.3 -19.6 64.5 74 88 A Y E +DE 34 69A 2 -40,-2.0 -41,-1.7 -2,-0.4 -40,-1.5 -0.991 4.9 171.7-130.9 129.9 19.3 -16.5 62.6 75 89 A S E -DE 32 68A 0 -7,-2.3 -7,-2.7 -2,-0.4 2,-0.5 -0.992 25.8-149.7-141.7 144.1 21.1 -14.9 59.6 76 90 A L E -DE 31 67A 9 -45,-2.6 -45,-3.1 -2,-0.4 2,-0.5 -0.953 19.9-152.7-105.5 132.1 20.7 -12.2 57.0 77 91 A V E +DE 30 66A 0 -11,-3.0 -12,-2.2 -2,-0.5 -11,-2.1 -0.947 18.4 178.2-114.8 124.1 22.6 -13.0 53.8 78 92 A M E -DE 29 64A 28 -49,-2.8 -49,-2.9 -2,-0.5 -14,-0.2 -0.803 36.0 -87.1-125.2 152.8 23.6 -10.0 51.7 79 93 A E E -D 28 0A 35 -16,-1.7 2,-0.5 -2,-0.3 -51,-0.2 -0.210 48.1-107.3 -62.1 156.5 25.5 -9.6 48.4 80 94 A Y - 0 0 75 -53,-0.5 2,-0.8 -52,-0.0 -1,-0.1 -0.763 23.1-157.3 -93.2 123.4 29.3 -9.4 48.7 81 95 A M > - 0 0 7 -2,-0.5 3,-2.1 1,-0.2 51,-0.2 -0.871 8.6-155.9-104.3 104.3 30.9 -6.0 48.1 82 96 A E T 3 S+ 0 0 105 -2,-0.8 51,-0.2 1,-0.3 -1,-0.2 0.760 86.0 44.3 -55.8 -38.7 34.4 -6.8 47.0 83 97 A K T 3 S- 0 0 68 49,-2.0 -1,-0.3 1,-0.3 50,-0.2 0.311 98.7-141.2 -94.4 10.4 36.1 -3.5 48.0 84 98 A G < - 0 0 30 -3,-2.1 48,-2.5 48,-0.4 -1,-0.3 -0.198 50.8 -8.2 66.5-154.9 34.5 -3.2 51.4 85 99 A N B > -G 131 0B 44 46,-0.2 4,-2.3 1,-0.1 46,-0.2 -0.258 66.4-109.4 -82.6 165.8 33.3 0.2 52.8 86 100 A L H > S+ 0 0 0 44,-2.3 4,-2.5 41,-1.3 5,-0.2 0.862 117.5 52.0 -58.3 -41.4 33.9 3.7 51.4 87 101 A M H > S+ 0 0 15 40,-0.3 4,-1.7 2,-0.2 -1,-0.2 0.904 108.8 51.4 -65.6 -39.6 36.3 4.7 54.2 88 102 A H H 4 S+ 0 0 132 1,-0.2 -2,-0.2 2,-0.2 -1,-0.2 0.936 111.6 47.7 -60.1 -46.3 38.4 1.6 53.5 89 103 A V H >< S+ 0 0 19 -4,-2.3 3,-1.1 1,-0.2 -2,-0.2 0.888 111.3 49.4 -60.9 -43.5 38.5 2.4 49.8 90 104 A L H 3< S+ 0 0 15 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.801 111.0 52.4 -64.4 -30.0 39.5 6.0 50.5 91 105 A K T 3< S+ 0 0 125 -4,-1.7 2,-0.2 -5,-0.2 -1,-0.2 0.142 84.9 108.7 -99.3 18.9 42.3 4.9 52.9 92 106 A A S < S- 0 0 48 -3,-1.1 -3,-0.0 1,-0.1 -4,-0.0 -0.674 83.4-103.2 -97.6 155.6 44.1 2.4 50.6 93 107 A E S S+ 0 0 116 -2,-0.2 -1,-0.1 2,-0.0 -3,-0.0 0.775 102.1 66.8 -41.8 -42.2 47.6 2.9 49.1 94 108 A M S S- 0 0 84 1,-0.1 2,-0.2 -5,-0.1 -2,-0.0 0.241 75.4-139.7 -69.0-163.0 46.1 3.6 45.7 95 109 A S - 0 0 101 -4,-0.1 -1,-0.1 0, 0.0 -4,-0.0 -0.859 1.4-124.4-156.0-172.7 44.0 6.6 44.7 96 110 A T - 0 0 25 -2,-0.2 5,-0.0 -6,-0.1 -6,-0.0 -0.996 21.5-119.2-150.0 126.6 41.1 8.0 42.7 97 111 A P >> - 0 0 81 0, 0.0 4,-2.0 0, 0.0 3,-0.5 -0.320 33.2-111.1 -64.6 155.7 40.5 10.6 40.0 98 112 A L H 3> S+ 0 0 51 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.920 119.7 58.5 -39.7 -54.5 38.2 13.6 40.7 99 113 A S H 3> S+ 0 0 40 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.844 106.4 46.8 -50.9 -42.1 35.8 12.0 38.1 100 114 A V H <> S+ 0 0 27 -3,-0.5 4,-2.6 2,-0.2 -1,-0.2 0.885 110.6 49.1 -72.2 -41.7 35.5 8.8 40.1 101 115 A K H X S+ 0 0 0 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.895 112.4 53.5 -62.5 -34.1 34.9 10.4 43.5 102 116 A G H X S+ 0 0 0 -4,-2.5 4,-2.4 -5,-0.3 -2,-0.2 0.874 107.3 48.2 -64.3 -43.4 32.3 12.4 41.6 103 117 A R H X S+ 0 0 51 -4,-1.8 4,-2.6 2,-0.2 5,-0.2 0.898 109.0 54.0 -64.5 -42.0 30.7 9.3 40.2 104 118 A I H X S+ 0 0 1 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.915 109.4 48.8 -57.9 -43.5 30.7 7.8 43.8 105 119 A I H X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.945 110.4 50.4 -62.2 -47.4 28.9 11.0 44.9 106 120 A L H X S+ 0 0 10 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.900 110.7 49.3 -56.0 -41.0 26.3 10.7 42.1 107 121 A E H X S+ 0 0 4 -4,-2.6 4,-2.5 2,-0.2 -1,-0.2 0.872 108.9 52.5 -71.3 -36.1 25.6 7.0 42.9 108 122 A I H X S+ 0 0 0 -4,-2.3 4,-2.7 -5,-0.2 5,-0.2 0.933 109.8 49.0 -59.6 -46.5 25.2 7.9 46.6 109 123 A I H X S+ 0 0 0 -4,-2.5 4,-2.7 2,-0.2 -2,-0.2 0.918 111.1 50.7 -58.9 -43.4 22.6 10.6 45.5 110 124 A E H X S+ 0 0 17 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.920 111.7 47.0 -61.7 -46.3 20.9 8.0 43.3 111 125 A G H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 -1,-0.2 0.912 114.2 45.9 -61.7 -44.1 20.6 5.5 46.1 112 126 A M H X S+ 0 0 0 -4,-2.7 4,-2.9 2,-0.2 5,-0.2 0.889 110.6 53.2 -70.5 -37.0 19.4 8.0 48.7 113 127 A A H X S+ 0 0 22 -4,-2.7 4,-2.1 -5,-0.2 -1,-0.2 0.896 109.5 50.7 -60.6 -42.6 16.8 9.4 46.2 114 128 A Y H X S+ 0 0 45 -4,-2.2 4,-1.2 -5,-0.2 -2,-0.2 0.971 111.5 46.2 -58.6 -53.1 15.6 5.8 45.7 115 129 A L H ><>S+ 0 0 11 -4,-2.6 5,-2.6 1,-0.2 3,-0.9 0.929 114.7 46.7 -56.9 -48.4 15.2 5.1 49.4 116 130 A H H ><5S+ 0 0 12 -4,-2.9 3,-1.5 1,-0.3 -1,-0.2 0.849 106.8 58.2 -64.0 -34.1 13.5 8.5 50.1 117 131 A G H 3<5S+ 0 0 41 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.731 105.6 51.2 -65.9 -23.9 11.2 7.8 47.1 118 132 A K T <<5S- 0 0 104 -4,-1.2 -1,-0.3 -3,-0.9 -2,-0.2 0.342 123.0-108.6 -90.3 5.5 10.2 4.6 48.8 119 133 A G T < 5S+ 0 0 63 -3,-1.5 2,-0.6 1,-0.2 -3,-0.2 0.700 75.2 138.9 75.3 20.2 9.4 6.6 52.0 120 134 A V < - 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0 0 0 0, 0.0 4,-1.9 0, 0.0 3,-0.9 -0.174 20.9-127.4 -49.0 137.5 26.0 -10.0 21.5 505 258 B R H 3> S+ 0 0 201 1,-0.3 4,-2.7 2,-0.2 5,-0.2 0.833 109.5 63.3 -59.3 -30.7 24.2 -13.3 21.8 506 259 B E H 3> S+ 0 0 77 2,-0.2 4,-1.9 1,-0.2 -1,-0.3 0.853 103.7 47.1 -57.7 -38.1 23.1 -12.2 25.3 507 260 B I H <> S+ 0 0 1 -3,-0.9 4,-2.7 2,-0.2 5,-0.2 0.885 109.5 52.3 -77.2 -37.5 21.1 -9.3 23.8 508 261 B I H X S+ 0 0 41 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.951 112.1 47.3 -55.9 -48.0 19.5 -11.6 21.1 509 262 B S H X S+ 0 0 71 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.901 110.9 52.8 -59.5 -42.3 18.4 -13.9 23.9 510 263 B L H X S+ 0 0 22 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.938 107.8 48.4 -63.4 -46.1 17.1 -10.9 25.9 511 264 B M H X S+ 0 0 0 -4,-2.7 4,-1.9 1,-0.2 -1,-0.2 0.939 111.3 51.7 -63.5 -39.4 15.0 -9.6 23.1 512 265 B K H < S+ 0 0 107 -4,-2.4 -1,-0.2 1,-0.2 4,-0.2 0.908 110.4 48.8 -60.9 -40.3 13.6 -13.0 22.6 513 266 B L H >< S+ 0 0 97 -4,-2.4 3,-0.9 1,-0.2 -1,-0.2 0.910 113.0 48.0 -60.2 -41.2 12.7 -13.2 26.3 514 267 B C H 3< S+ 0 0 0 -4,-2.5 -52,-0.3 1,-0.2 -2,-0.2 0.727 111.2 48.4 -80.7 -20.5 11.1 -9.9 26.2 515 268 B W T 3< S+ 0 0 19 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.225 77.7 141.2-103.7 18.5 9.0 -10.5 23.1 516 269 B E < - 0 0 93 -3,-0.9 6,-0.1 -4,-0.2 5,-0.1 -0.244 58.7-125.6 -54.9 137.6 7.6 -13.8 24.2 517 270 B A S S+ 0 0 55 4,-0.1 -74,-0.2 -26,-0.1 -1,-0.1 0.933 96.6 73.1 -54.2 -52.3 3.9 -14.3 23.3 518 271 B N S >> S- 0 0 86 1,-0.2 3,-1.6 2,-0.1 4,-0.5 -0.548 74.5-155.4 -64.8 111.1 2.8 -15.1 26.9 519 272 B P G >4 S+ 0 0 26 0, 0.0 3,-1.4 0, 0.0 -1,-0.2 0.876 90.9 58.1 -61.8 -35.5 3.0 -11.7 28.6 520 273 B E G 34 S+ 0 0 132 1,-0.3 -2,-0.1 -3,-0.1 -3,-0.1 0.622 99.3 59.7 -71.1 -11.4 3.5 -13.3 32.0 521 274 B A G <4 S+ 0 0 56 -3,-1.6 -1,-0.3 -5,-0.1 -4,-0.1 0.597 84.4 98.3 -87.4 -12.3 6.6 -15.1 30.8 522 275 B R S << S- 0 0 2 -3,-1.4 -8,-0.2 -4,-0.5 -63,-0.1 -0.511 81.2-112.3 -74.5 144.3 8.3 -11.8 29.9 523 276 B P - 0 0 35 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.182 26.6-110.5 -71.2 166.6 10.7 -10.5 32.6 524 277 B T > - 0 0 60 1,-0.1 4,-2.7 -66,-0.0 5,-0.2 -0.573 29.1-110.7 -87.3 161.8 10.2 -7.4 34.7 525 278 B F H > S+ 0 0 0 1,-0.2 4,-2.7 2,-0.2 -140,-0.2 0.894 120.1 52.2 -62.6 -39.2 12.3 -4.4 34.2 526 279 B P H > S+ 0 0 57 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.932 111.0 48.7 -59.1 -41.3 14.1 -4.9 37.6 527 280 B G H > S+ 0 0 26 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.923 111.9 48.3 -61.2 -44.1 14.8 -8.5 36.5 528 281 B I H X S+ 0 0 3 -4,-2.7 4,-3.0 1,-0.2 5,-0.3 0.922 111.5 51.1 -59.8 -45.4 16.1 -7.3 33.2 529 282 B E H X S+ 0 0 23 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.884 105.9 54.5 -61.1 -41.3 18.3 -4.7 35.0 530 283 B E H < S+ 0 0 70 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.831 116.6 38.0 -68.8 -31.5 19.8 -7.2 37.3 531 284 B K H X S+ 0 0 157 -4,-1.8 4,-1.0 -5,-0.2 -2,-0.2 0.897 120.1 43.4 -78.1 -43.6 20.9 -9.3 34.4 532 285 B F H X S+ 0 0 8 -4,-3.0 4,-3.2 -5,-0.2 5,-0.3 0.839 101.3 66.0 -76.7 -35.5 21.9 -6.6 32.0 533 286 B R H X S+ 0 0 25 -4,-2.5 4,-2.6 -5,-0.3 5,-0.2 0.958 106.4 39.4 -57.3 -54.5 23.8 -4.3 34.3 534 287 B P H > S+ 0 0 70 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.842 116.2 52.9 -67.0 -28.9 26.7 -6.6 35.1 535 288 B F H X>S+ 0 0 25 -4,-1.0 4,-2.2 2,-0.2 5,-0.7 0.919 110.2 47.7 -65.3 -44.7 26.8 -7.9 31.5 536 289 B Y H X>S+ 0 0 16 -4,-3.2 5,-2.6 1,-0.2 4,-1.5 0.936 113.7 48.7 -58.7 -46.2 27.0 -4.3 30.3 537 290 B L H <5S+ 0 0 34 -4,-2.6 -2,-0.2 -5,-0.3 -1,-0.2 0.909 117.3 38.7 -63.3 -43.3 29.8 -3.6 32.8 538 291 B S H <5S+ 0 0 93 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.791 132.6 17.3 -81.9 -25.6 31.9 -6.6 32.0 539 292 B Q H <5S+ 0 0 113 -4,-2.2 -3,-0.2 -5,-0.2 -2,-0.2 0.740 127.9 29.8-116.6 -38.0 31.5 -6.8 28.2 540 293 B L T << 0 0 13 -4,-1.5 -3,-0.2 -5,-0.7 -4,-0.1 0.844 360.0 360.0-103.3 -41.7 30.3 -3.6 26.7 541 294 B E < 0 0 127 -5,-2.6 -169,-0.1 -167,-0.1 -170,-0.1 -0.176 360.0 360.0 -57.2 360.0 31.3 -0.5 28.6