==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CELL CYCLE 02-JAN-02 1KPQ . COMPND 2 MOLECULE: TUMOR SUSCEPTIBILITY GENE 101 PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR O.PORNILLOS,S.L.ALAM,R.L.RICH,D.G.MYSZKA,D.R.DAVIS, . 144 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10140.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 86 59.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 29 20.1 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 . 2 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 1.4 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 . 1 0.7 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 . 11 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 9 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 31 21.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 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 1 0 0 0 1 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 2 0 1 0 0 0 0 0 1 1 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 0 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 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 2 A A 0 0 129 0, 0.0 3,-0.0 0, 0.0 34,-0.0 0.000 360.0 360.0 360.0 162.3 -16.1 -2.4 -14.7 2 3 A V >> - 0 0 36 1,-0.1 5,-0.9 35,-0.0 4,-0.5 0.026 360.0-113.3-164.5 34.1 -17.1 -5.9 -13.7 3 4 A S H >5 - 0 0 98 3,-0.2 4,-0.8 1,-0.2 -1,-0.1 0.226 34.3 -89.5 48.7 177.9 -19.9 -5.5 -11.2 4 5 A E H >5S+ 0 0 162 2,-0.2 4,-1.4 3,-0.2 -1,-0.2 0.678 126.6 51.9 -92.5 -23.2 -19.4 -6.4 -7.6 5 6 A S H >5S+ 0 0 97 2,-0.2 4,-1.3 3,-0.1 -2,-0.1 0.837 117.9 36.8 -80.5 -36.6 -20.6 -10.0 -8.1 6 7 A Q H X5S+ 0 0 114 -4,-0.5 4,-1.1 2,-0.2 -3,-0.2 0.811 114.4 56.2 -83.9 -34.1 -18.2 -10.6 -11.0 7 8 A L H X> S+ 0 0 78 61,-1.2 4,-3.3 1,-0.2 3,-0.9 0.005 78.3 129.6 -90.9 27.2 -7.0 -11.6 1.5 17 18 A R H 3> S+ 0 0 72 -3,-0.3 4,-3.9 1,-0.3 5,-0.4 0.925 71.2 52.3 -44.0 -59.5 -9.8 -10.7 -0.9 18 19 A D H 3> S+ 0 0 125 -3,-0.4 4,-1.4 1,-0.3 -1,-0.3 0.837 115.1 43.9 -47.0 -36.7 -11.8 -9.0 1.9 19 20 A L H <> S+ 0 0 89 -3,-0.9 4,-2.4 2,-0.2 -1,-0.3 0.858 114.5 49.3 -76.7 -38.3 -8.6 -7.1 2.5 20 21 A T H X S+ 0 0 12 -4,-3.3 4,-3.2 2,-0.2 -2,-0.2 0.956 110.3 48.6 -64.8 -53.0 -8.0 -6.5 -1.2 21 22 A V H X S+ 0 0 36 -4,-3.9 4,-4.0 1,-0.2 5,-0.3 0.902 111.4 52.3 -53.1 -45.5 -11.5 -5.3 -1.9 22 23 A R H X S+ 0 0 185 -4,-1.4 4,-2.2 -5,-0.4 -1,-0.2 0.948 111.0 45.3 -55.5 -53.9 -11.1 -3.0 1.0 23 24 A E H X S+ 0 0 55 -4,-2.4 4,-3.5 2,-0.2 -2,-0.2 0.907 117.8 45.3 -56.8 -45.4 -7.9 -1.5 -0.3 24 25 A T H X S+ 0 0 6 -4,-3.2 4,-3.4 2,-0.2 5,-0.4 0.978 108.1 54.2 -62.2 -59.5 -9.4 -1.3 -3.8 25 26 A V H X S+ 0 0 73 -4,-4.0 4,-3.0 1,-0.2 -1,-0.2 0.856 116.5 41.7 -42.0 -43.1 -12.7 0.3 -2.6 26 27 A N H X S+ 0 0 54 -4,-2.2 4,-4.6 -5,-0.3 5,-0.4 0.963 111.5 53.6 -70.2 -54.7 -10.5 2.9 -0.9 27 28 A V H X S+ 0 0 10 -4,-3.5 4,-3.3 2,-0.2 -2,-0.2 0.923 120.1 34.4 -43.8 -57.0 -8.1 3.2 -3.8 28 29 A I H < S+ 0 0 42 -4,-3.4 -1,-0.2 2,-0.2 -2,-0.2 0.970 116.6 54.2 -63.5 -56.5 -10.9 3.9 -6.1 29 30 A T H < S+ 0 0 101 -4,-3.0 3,-0.2 -5,-0.4 -2,-0.2 0.871 116.1 40.8 -44.4 -45.1 -13.0 5.7 -3.6 30 31 A L H < S+ 0 0 95 -4,-4.6 2,-0.5 1,-0.3 -1,-0.2 0.949 132.9 21.4 -69.6 -51.1 -10.1 8.0 -3.0 31 32 A Y >< - 0 0 64 -4,-3.3 2,-1.9 -5,-0.4 3,-0.6 -0.956 64.5-157.6-126.0 113.0 -9.2 8.2 -6.7 32 33 A K T 3 S+ 0 0 190 -2,-0.5 -4,-0.1 -3,-0.2 -3,-0.1 -0.327 83.6 72.0 -82.4 54.8 -11.8 7.5 -9.3 33 34 A D T 3 + 0 0 60 -2,-1.9 2,-0.5 -6,-0.2 -1,-0.2 0.569 68.9 83.2-130.5 -52.0 -9.1 6.8 -11.8 34 35 A L < - 0 0 7 -3,-0.6 22,-0.3 -7,-0.2 -1,-0.2 -0.483 66.7-159.4 -65.1 115.6 -7.5 3.5 -10.9 35 36 A K E -A 55 0A 134 20,-2.6 20,-1.8 -2,-0.5 2,-0.2 -0.791 18.4-112.6-101.7 142.4 -9.7 0.8 -12.4 36 37 A P E +A 54 0A 34 0, 0.0 2,-0.3 0, 0.0 18,-0.2 -0.521 39.5 178.8 -74.5 137.2 -9.7 -2.8 -11.2 37 38 A V E -A 53 0A 60 16,-1.9 16,-0.7 -2,-0.2 2,-0.4 -0.885 20.0-145.4-134.9 164.7 -8.4 -5.4 -13.6 38 39 A L E +A 52 0A 47 -2,-0.3 2,-0.4 14,-0.3 14,-0.2 -0.980 21.0 167.2-138.2 121.8 -7.9 -9.2 -13.6 39 40 A D E -A 51 0A 70 12,-2.8 12,-1.9 -2,-0.4 2,-0.2 -0.998 17.2-153.4-137.9 131.0 -5.0 -10.9 -15.4 40 41 A S E -A 50 0A 51 -2,-0.4 2,-0.3 10,-0.2 10,-0.2 -0.664 12.4-175.7-101.7 158.0 -3.9 -14.5 -15.0 41 42 A Y E -A 49 0A 161 8,-1.9 8,-2.2 -2,-0.2 -2,-0.0 -0.989 25.4-110.6-154.0 145.7 -0.5 -16.0 -15.6 42 43 A V E -A 48 0A 84 -2,-0.3 6,-0.4 6,-0.3 2,-0.3 0.149 32.0-135.3 -61.2-173.5 1.2 -19.4 -15.6 43 44 A F E >> -A 47 0A 102 4,-2.1 2,-2.8 5,-0.1 3,-1.5 -0.965 60.9 -25.8-154.4 134.7 3.7 -20.4 -12.9 44 45 A N T 34 S- 0 0 174 -2,-0.3 -2,-0.1 1,-0.2 4,-0.0 -0.390 126.8 -40.8 64.9 -77.5 7.0 -22.1 -12.9 45 46 A D T 34 S+ 0 0 160 -2,-2.8 -1,-0.2 0, 0.0 3,-0.1 0.031 136.2 5.2-174.7 42.1 6.3 -23.9 -16.2 46 47 A G T <4 S+ 0 0 60 -3,-1.5 -2,-0.2 1,-0.5 0, 0.0 -0.151 96.0 97.1 171.4 -60.3 2.7 -25.1 -16.1 47 48 A S E < -A 43 0A 81 -4,-0.8 -4,-2.1 -5,-0.2 -1,-0.5 0.128 50.6-168.5 -45.9 169.4 0.8 -23.9 -13.0 48 49 A S E -A 42 0A 68 -6,-0.4 2,-0.3 -3,-0.1 -6,-0.3 -0.927 9.8-178.4-167.4 141.5 -1.3 -20.8 -13.2 49 50 A R E -A 41 0A 113 -8,-2.2 -8,-1.9 -2,-0.3 2,-0.5 -0.828 29.3-107.6-136.6 174.1 -3.1 -18.4 -10.9 50 51 A E E +A 40 0A 73 -2,-0.3 2,-0.4 -10,-0.2 -10,-0.2 -0.936 34.3 176.3-112.6 123.1 -5.3 -15.3 -11.0 51 52 A L E -A 39 0A 23 -12,-1.9 -12,-2.8 -2,-0.5 2,-0.3 -0.985 19.6-140.0-128.3 135.9 -3.9 -11.9 -10.0 52 53 A M E -A 38 0A 5 -2,-0.4 23,-1.4 -14,-0.2 2,-0.3 -0.733 16.0-163.3 -96.5 142.6 -5.6 -8.6 -10.2 53 54 A N E -AB 37 74A 16 -16,-0.7 -16,-1.9 -2,-0.3 2,-0.7 -0.900 16.3-133.0-124.4 153.2 -3.9 -5.4 -11.2 54 55 A L E +AB 36 73A 2 19,-0.8 19,-0.8 -2,-0.3 2,-0.5 -0.915 27.0 179.8-110.3 108.0 -4.8 -1.8 -10.8 55 56 A T E +AB 35 72A 60 -20,-1.8 -20,-2.6 -2,-0.7 2,-0.3 -0.931 22.0 117.5-112.2 129.8 -4.5 0.3 -14.0 56 57 A G E - B 0 71A 8 15,-1.6 15,-2.2 -2,-0.5 2,-0.4 -0.916 50.5-104.5-166.0-172.7 -5.2 4.0 -14.2 57 58 A T E - B 0 70A 56 -2,-0.3 11,-0.0 13,-0.3 -2,-0.0 -0.998 19.2-155.9-136.7 138.0 -3.9 7.4 -14.8 58 59 A I E - B 0 69A 12 11,-2.0 11,-1.9 -2,-0.4 2,-0.6 -0.927 25.8-115.9-116.0 138.3 -3.1 10.2 -12.4 59 60 A P E - B 0 68A 62 0, 0.0 9,-0.2 0, 0.0 76,-0.1 -0.610 31.0-174.5 -75.3 116.2 -3.0 14.0 -13.3 60 61 A V E - B 0 67A 4 7,-2.4 7,-0.6 -2,-0.6 2,-0.1 -0.872 8.7-159.6-116.3 95.8 0.6 15.2 -12.9 61 62 A P E + B 0 66A 75 0, 0.0 2,-0.3 0, 0.0 5,-0.3 -0.445 12.0 180.0 -74.8 147.3 0.7 19.0 -13.5 62 63 A Y E > - B 0 65A 89 3,-0.6 3,-1.8 -2,-0.1 74,-0.1 -0.945 65.0 -7.8-153.2 127.1 4.0 20.6 -14.3 63 64 A R T 3 S- 0 0 193 -2,-0.3 3,-0.1 1,-0.3 0, 0.0 0.714 133.9 -51.7 60.9 20.0 4.9 24.2 -15.0 64 65 A G T 3 S+ 0 0 77 1,-0.3 -1,-0.3 0, 0.0 2,-0.1 0.549 119.4 115.2 91.8 11.1 1.2 24.9 -14.9 65 66 A N E < -B 62 0A 98 -3,-1.8 -3,-0.6 -5,-0.0 2,-0.4 -0.374 62.9-120.5-101.8-177.4 0.5 22.1 -17.4 66 67 A T E -B 61 0A 106 -5,-0.3 2,-0.3 -2,-0.1 -3,-0.0 -0.990 25.7-176.2-133.4 124.6 -1.3 18.8 -17.1 67 68 A Y E -B 60 0A 55 -7,-0.6 -7,-2.4 -2,-0.4 2,-0.6 -0.831 20.8-140.9-118.4 157.0 0.1 15.4 -17.7 68 69 A N E +B 59 0A 103 -2,-0.3 -2,-0.0 -9,-0.2 -11,-0.0 -0.858 22.3 178.4-120.5 93.7 -1.4 11.9 -17.7 69 70 A I E -B 58 0A 1 -11,-1.9 -11,-2.0 -2,-0.6 -2,-0.0 -0.870 16.9-150.2-100.6 110.7 1.0 9.4 -16.1 70 71 A P E -B 57 0A 22 0, 0.0 2,-0.3 0, 0.0 -13,-0.3 -0.284 11.3-165.5 -75.0 162.7 -0.5 5.9 -16.0 71 72 A I E -B 56 0A 13 -15,-2.2 -15,-1.6 17,-0.2 2,-0.4 -0.980 7.3-156.3-152.7 138.9 0.4 3.4 -13.3 72 73 A C E -BC 55 87A 8 15,-2.3 15,-2.0 -2,-0.3 2,-0.3 -0.914 9.9-165.4-118.4 144.5 -0.1 -0.4 -12.9 73 74 A L E -BC 54 86A 12 -19,-0.8 -19,-0.8 -2,-0.4 2,-0.4 -0.895 8.0-146.2-127.6 156.8 -0.3 -2.3 -9.7 74 75 A W E -BC 53 85A 79 11,-2.4 11,-1.1 -2,-0.3 2,-0.2 -0.961 12.7-164.5-125.2 141.9 -0.1 -6.0 -8.9 75 76 A L - 0 0 17 -23,-1.4 2,-0.3 -2,-0.4 3,-0.1 -0.739 1.2-161.3-120.0 168.6 -1.9 -7.9 -6.2 76 77 A L - 0 0 14 6,-0.3 -60,-0.2 -2,-0.2 -25,-0.1 -0.913 30.0-121.1-144.5 168.2 -1.5 -11.3 -4.5 77 78 A D S S- 0 0 2 2,-0.5 -61,-1.2 -2,-0.3 -62,-0.1 0.846 88.4 -57.3 -79.5 -36.7 -3.4 -13.7 -2.4 78 79 A T S S+ 0 0 26 1,-0.6 -2,-0.0 -63,-0.1 -64,-0.0 0.165 99.3 113.7-174.4 -38.9 -0.9 -13.6 0.4 79 80 A Y - 0 0 178 2,-0.1 -1,-0.6 3,-0.1 -2,-0.5 -0.802 66.9 -2.8-122.8 165.4 2.5 -14.6 -1.0 80 81 A P S S+ 0 0 104 0, 0.0 2,-0.8 0, 0.0 -4,-0.0 -0.670 135.2 14.2 -75.0 -48.6 5.1 -14.2 -1.8 81 82 A Y - 0 0 158 -2,-0.2 -2,-0.1 1,-0.2 -3,-0.1 -0.742 66.8-152.4 -86.4 108.8 5.0 -10.5 -0.8 82 83 A N S S+ 0 0 85 -2,-0.8 -6,-0.3 -5,-0.1 -1,-0.2 0.892 82.6 67.5 -42.1 -51.0 1.9 -9.9 1.3 83 84 A P S S- 0 0 39 0, 0.0 -2,-0.1 0, 0.0 -5,-0.1 -0.428 93.7-111.7 -75.0 148.8 2.0 -6.3 -0.0 84 85 A P - 0 0 16 0, 0.0 2,-0.4 0, 0.0 -9,-0.2 -0.243 28.5-112.4 -75.0 166.6 1.3 -5.6 -3.7 85 86 A I E -C 74 0A 72 -11,-1.1 -11,-2.4 -4,-0.0 2,-0.4 -0.822 22.7-150.9-104.1 141.8 3.9 -4.3 -6.2 86 87 A C E +C 73 0A 5 -2,-0.4 22,-1.8 -13,-0.2 2,-0.3 -0.919 25.7 153.3-113.9 137.7 3.8 -0.9 -7.7 87 88 A F E -CD 72 107A 33 -15,-2.0 -15,-2.3 -2,-0.4 20,-0.3 -0.960 40.0-115.1-162.9 144.2 5.2 -0.1 -11.1 88 89 A V - 0 0 2 18,-3.7 -17,-0.2 -2,-0.3 8,-0.0 -0.613 26.4-136.7 -83.5 141.0 4.7 2.4 -13.9 89 90 A K - 0 0 119 -2,-0.3 2,-0.1 -19,-0.2 17,-0.1 -0.889 17.3-140.6-103.2 118.4 3.5 1.1 -17.3 90 91 A P - 0 0 63 0, 0.0 2,-0.1 0, 0.0 6,-0.1 -0.376 14.3-142.6 -74.7 154.3 5.2 2.6 -20.3 91 92 A T - 0 0 67 -2,-0.1 5,-0.1 4,-0.1 0, 0.0 -0.185 18.9-114.6-101.3-165.0 3.3 3.4 -23.5 92 93 A S S S+ 0 0 132 -2,-0.1 -1,-0.1 3,-0.1 0, 0.0 0.767 111.8 36.5-102.2 -38.4 4.1 3.1 -27.2 93 94 A S S S+ 0 0 122 2,-0.1 0, 0.0 -3,-0.0 0, 0.0 0.928 117.8 51.6 -79.4 -50.8 4.2 6.8 -28.1 94 95 A M S S- 0 0 54 1,-0.1 2,-0.3 49,-0.0 48,-0.2 -0.039 78.1-136.0 -76.6-176.3 5.7 8.1 -24.9 95 96 A T - 0 0 70 46,-1.5 2,-0.5 -5,-0.1 -4,-0.1 -0.820 10.0-119.5-136.7 175.1 8.9 6.8 -23.2 96 97 A I + 0 0 41 -2,-0.3 44,-0.3 -6,-0.1 45,-0.2 -0.921 21.0 177.7-125.4 104.0 10.2 5.9 -19.7 97 98 A K - 0 0 119 43,-1.6 43,-0.2 42,-0.8 44,-0.1 -0.158 43.9-128.2 -94.9 37.3 13.1 8.0 -18.5 98 99 A T - 0 0 57 5,-0.2 -1,-0.3 42,-0.2 2,-0.3 0.138 27.8-140.2 43.2-167.6 13.1 6.1 -15.2 99 100 A G - 0 0 35 3,-2.6 7,-0.1 -3,-0.1 -1,-0.0 -0.958 35.9 -65.6-169.8 179.6 13.1 8.1 -12.1 100 101 A K S S+ 0 0 211 -2,-0.3 -1,-0.1 1,-0.2 -2,-0.0 0.865 138.7 2.0 -46.3 -41.7 14.4 8.5 -8.5 101 102 A H S S+ 0 0 2 2,-0.1 8,-2.0 7,-0.0 2,-1.0 0.661 108.9 100.9-115.5 -35.7 12.5 5.3 -7.8 102 103 A V B -E 108 0B 1 6,-0.2 -3,-2.6 -4,-0.1 6,-0.2 -0.386 63.4-162.5 -58.1 97.2 11.1 4.5 -11.2 103 104 A D > - 0 0 42 4,-3.1 3,-1.9 -2,-1.0 -5,-0.2 0.016 39.3 -86.6 -71.6-174.9 13.6 1.8 -12.2 104 105 A A T 3 S+ 0 0 84 1,-0.3 -6,-0.1 2,-0.1 -1,-0.1 0.716 134.5 54.4 -67.4 -21.1 14.2 0.7 -15.8 105 106 A N T 3 S- 0 0 144 2,-0.1 -1,-0.3 -16,-0.0 3,-0.1 0.258 120.3-113.4 -94.5 9.5 11.4 -1.8 -15.2 106 107 A G S < S+ 0 0 0 -3,-1.9 -18,-3.7 1,-0.3 2,-0.2 0.586 70.4 148.2 68.7 9.9 9.2 1.1 -14.1 107 108 A K B -D 87 0A 86 -20,-0.3 -4,-3.1 1,-0.1 2,-1.1 -0.481 56.3-114.8 -77.1 147.5 9.3 -0.4 -10.7 108 109 A I B -E 102 0B 0 -22,-1.8 -6,-0.2 -6,-0.2 -22,-0.2 -0.740 30.2-177.4 -87.0 100.8 9.1 1.9 -7.7 109 110 A Y + 0 0 156 -8,-2.0 -1,-0.1 -2,-1.1 -7,-0.1 -0.139 26.2 156.2 -89.6 37.8 12.4 1.5 -6.0 110 111 A L > - 0 0 23 -2,-0.2 4,-1.7 1,-0.1 3,-0.2 -0.308 48.7-134.2 -64.8 148.5 11.3 3.9 -3.2 111 112 A P H > S+ 0 0 106 0, 0.0 4,-1.3 0, 0.0 -1,-0.1 0.735 107.2 56.0 -74.9 -24.3 13.1 3.6 0.2 112 113 A Y H 4 S+ 0 0 135 2,-0.2 5,-0.1 1,-0.1 9,-0.1 0.715 106.1 51.9 -78.5 -22.9 9.8 3.7 1.9 113 114 A L H >4 S+ 0 0 36 -3,-0.2 3,-2.5 2,-0.2 -1,-0.1 0.965 108.2 46.9 -76.2 -58.2 8.5 0.8 -0.1 114 115 A H H 3< S+ 0 0 162 -4,-1.7 -2,-0.2 1,-0.3 -1,-0.1 0.868 121.6 40.5 -50.7 -40.2 11.4 -1.6 0.6 115 116 A E T 3< S+ 0 0 150 -4,-1.3 2,-0.8 -5,-0.1 -1,-0.3 -0.178 84.3 144.4-102.1 37.8 11.0 -0.7 4.2 116 117 A W < + 0 0 46 -3,-2.5 2,-0.4 1,-0.1 -3,-0.1 -0.709 18.2 171.0 -82.0 111.6 7.3 -0.7 4.1 117 118 A K > - 0 0 163 -2,-0.8 3,-1.3 -5,-0.1 -1,-0.1 -0.684 36.6-113.6-123.8 75.6 6.1 -1.9 7.4 118 119 A H T 3 S+ 0 0 143 -2,-0.4 4,-0.1 1,-0.4 0, 0.0 0.101 96.6 38.0 -40.9 160.9 2.3 -1.4 7.5 119 120 A P T 3 S+ 0 0 96 0, 0.0 -1,-0.4 0, 0.0 -3,-0.0 -0.983 115.7 67.9 -75.0 1.8 0.2 -0.0 8.6 120 121 A Q S < S+ 0 0 134 -3,-1.3 -2,-0.2 2,-0.0 2,-0.1 0.881 110.1 32.9 -34.9 -63.7 3.0 2.6 8.5 121 122 A S S S+ 0 0 6 -9,-0.1 2,-0.3 -8,-0.1 3,-0.1 -0.422 73.4 172.1 -93.1 170.9 2.8 2.6 4.7 122 123 A D > - 0 0 63 -2,-0.1 4,-2.5 1,-0.1 5,-0.1 -0.955 46.7 -97.9-165.3 174.9 -0.2 2.1 2.5 123 124 A L H > S+ 0 0 6 -2,-0.3 4,-2.5 2,-0.2 5,-0.3 0.914 118.2 58.9 -70.3 -44.8 -1.5 2.3 -1.1 124 125 A L H > S+ 0 0 39 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.924 114.3 37.3 -48.4 -52.3 -3.0 5.8 -0.6 125 126 A G H > S+ 0 0 19 2,-0.2 4,-3.3 1,-0.2 5,-0.4 0.922 109.7 60.8 -66.7 -46.6 0.5 7.0 0.3 126 127 A L H X S+ 0 0 9 -4,-2.5 4,-0.9 1,-0.3 -1,-0.2 0.829 114.0 38.8 -49.2 -34.6 2.2 4.9 -2.2 127 128 A I H X S+ 0 0 13 -4,-2.5 4,-2.3 2,-0.2 -1,-0.3 0.801 113.5 56.5 -84.9 -33.5 0.2 6.8 -4.7 128 129 A Q H X S+ 0 0 118 -4,-1.9 4,-1.4 -5,-0.3 -2,-0.2 0.971 102.7 52.6 -61.2 -57.5 0.5 10.1 -2.9 129 130 A V H >X S+ 0 0 48 -4,-3.3 4,-3.6 1,-0.2 3,-1.0 0.899 110.5 50.4 -43.9 -50.4 4.3 10.1 -2.9 130 131 A M H 3X>S+ 0 0 15 -4,-0.9 4,-4.3 -5,-0.4 5,-0.8 0.942 100.8 59.9 -54.2 -54.0 4.1 9.5 -6.7 131 132 A I H 3<5S+ 0 0 51 -4,-2.3 4,-0.4 1,-0.2 -1,-0.3 0.788 117.0 36.9 -45.4 -29.7 1.7 12.4 -7.1 132 133 A V H X5S+ 0 0 39 -4,-3.6 4,-2.9 1,-0.3 3,-0.8 0.910 124.4 37.7 -47.4 -49.8 7.6 12.7 -7.1 134 135 A F H 3<5S+ 0 0 5 -4,-4.3 -1,-0.3 1,-0.2 -3,-0.2 0.832 110.2 60.8 -71.6 -34.4 5.9 12.8 -10.5 135 136 A G H 34