==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-JUN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 13-APR-11 3RIB . COMPND 2 MOLECULE: N-LYSINE METHYLTRANSFERASE SMYD2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR S.XU,T.ZHANG,C.ZHONG,J.DING . 850 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 42266.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 590 69.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 10 1.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 83 9.8 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 . 4 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.2 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 . 40 4.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 86 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 346 40.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 1.1 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 3 1 0 0 0 0 0 4 0 0 2 2 6 0 5 2 2 1 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 . 7 2 0 4 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 0 ANTIPARALLEL BRIDGES PER LADDER . 4 8 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 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 7 A G 0 0 107 0, 0.0 2,-0.6 0, 0.0 27,-0.1 0.000 360.0 360.0 360.0-125.6 16.6 -5.1 -12.6 2 8 A G + 0 0 17 25,-0.3 16,-1.8 2,-0.0 17,-0.8 -0.323 360.0 99.4 -91.3 49.6 15.8 -5.7 -16.3 3 9 A L E -A 17 0A 17 -2,-0.6 2,-0.4 14,-0.2 14,-0.2 -0.851 56.2-148.1-135.3 165.5 14.0 -8.9 -15.5 4 10 A E E -A 16 0A 74 12,-2.3 12,-3.1 -2,-0.3 2,-0.4 -0.997 13.8-133.3-144.5 139.1 10.3 -10.0 -15.1 5 11 A R E +A 15 0A 87 -2,-0.4 2,-0.3 10,-0.2 10,-0.2 -0.797 43.7 155.9 -85.8 131.4 8.3 -12.5 -13.2 6 12 A F E -A 14 0A 30 8,-2.1 8,-2.2 -2,-0.4 2,-0.8 -0.898 48.6 -91.1-147.0 173.6 5.8 -14.4 -15.5 7 13 A C E -A 13 0A 109 -2,-0.3 6,-0.2 6,-0.2 5,-0.1 -0.837 34.2-159.1 -96.3 104.4 3.8 -17.6 -15.9 8 14 A S E >> -A 12 0A 6 4,-1.9 3,-2.5 -2,-0.8 4,-0.8 -0.765 30.8-111.4 -83.3 117.2 5.8 -20.1 -17.7 9 15 A P T 34 S- 0 0 110 0, 0.0 -1,-0.1 0, 0.0 4,-0.0 -0.272 97.3 -1.3 -56.8 121.9 3.3 -22.7 -19.2 10 16 A G T 34 S+ 0 0 78 1,-0.1 -2,-0.0 -2,-0.1 -3,-0.0 0.443 126.0 73.9 77.5 2.4 3.7 -26.0 -17.5 11 17 A K T <4 S- 0 0 63 -3,-2.5 2,-0.2 1,-0.4 190,-0.1 0.324 89.6-136.6-125.4 2.7 6.6 -24.7 -15.3 12 18 A G E < +A 8 0A 34 -4,-0.8 -4,-1.9 -5,-0.1 -1,-0.4 -0.556 67.1 0.6 74.6-137.2 4.7 -22.4 -12.8 13 19 A R E S+A 7 0A 44 840,-3.2 2,-0.3 -2,-0.2 -6,-0.2 -0.541 75.9 169.0 -82.8 152.2 6.3 -19.1 -12.2 14 20 A G E -A 6 0A 0 -8,-2.2 -8,-2.1 -2,-0.2 2,-0.5 -0.944 35.0-104.3-154.3 173.2 9.5 -18.1 -13.9 15 21 A L E -A 5 0A 2 215,-0.5 215,-3.4 -2,-0.3 2,-0.3 -0.924 33.5-174.2-107.7 124.7 12.0 -15.3 -14.7 16 22 A R E -AB 4 229A 79 -12,-3.1 -12,-2.3 -2,-0.5 2,-0.4 -0.905 25.1-113.4-118.3 154.3 12.0 -13.8 -18.2 17 23 A A E -A 3 0A 1 211,-2.4 210,-3.0 -2,-0.3 -14,-0.2 -0.699 20.4-175.8 -90.6 127.2 14.4 -11.2 -19.7 18 24 A L S S+ 0 0 96 -16,-1.8 -15,-0.2 -2,-0.4 -1,-0.1 0.579 78.9 28.2 -90.2 -13.4 13.2 -7.7 -20.6 19 25 A Q S S- 0 0 91 -17,-0.8 2,-0.2 206,-0.1 208,-0.1 -0.904 97.1 -84.8-140.8 163.6 16.6 -6.8 -22.2 20 26 A P - 0 0 69 0, 0.0 2,-0.4 0, 0.0 205,-0.2 -0.516 36.3-162.5 -76.1 142.3 19.5 -8.7 -23.9 21 27 A F B -C 224 0B 8 203,-2.0 203,-3.0 -2,-0.2 2,-0.2 -0.993 6.1-150.2-126.0 125.5 22.2 -10.4 -21.7 22 28 A Q > - 0 0 89 -2,-0.4 3,-2.4 201,-0.2 198,-0.4 -0.489 42.4 -72.6 -88.9 161.6 25.5 -11.4 -23.1 23 29 A V T 3 S+ 0 0 58 1,-0.3 198,-0.2 -2,-0.2 -1,-0.1 -0.327 123.3 18.3 -56.1 122.9 27.6 -14.3 -21.9 24 30 A G T 3 S+ 0 0 20 196,-3.5 -1,-0.3 1,-0.3 197,-0.1 0.138 89.5 138.2 100.6 -18.0 29.1 -13.3 -18.5 25 31 A D < - 0 0 67 -3,-2.4 195,-2.0 1,-0.1 2,-0.6 -0.326 58.5-117.4 -61.3 138.6 26.7 -10.4 -17.8 26 32 A L E -D 219 0C 83 193,-0.2 193,-0.2 1,-0.2 3,-0.1 -0.700 26.8-175.1 -77.1 119.3 25.4 -10.1 -14.3 27 33 A L E - 0 0 12 191,-3.3 -25,-0.3 -2,-0.6 2,-0.3 0.924 63.6 -54.7 -76.2 -49.6 21.6 -10.6 -14.3 28 34 A F E -D 218 0C 38 190,-0.8 190,-2.4 -27,-0.1 -1,-0.4 -0.904 44.6-124.0 179.9 157.9 21.4 -9.8 -10.6 29 35 A S E -D 217 0C 56 -2,-0.3 188,-0.3 188,-0.2 186,-0.0 -0.889 19.8-156.1-112.3 151.7 22.7 -10.8 -7.2 30 36 A C E -D 216 0C 0 186,-3.0 186,-2.4 -2,-0.3 89,-0.1 -0.991 12.7-133.6-131.2 122.9 20.5 -11.9 -4.3 31 37 A P E -D 215 0C 52 0, 0.0 2,-0.3 0, 0.0 184,-0.2 -0.383 38.1 -92.6 -71.9 154.0 21.5 -11.7 -0.6 32 38 A A - 0 0 15 182,-0.7 161,-0.2 1,-0.2 3,-0.2 -0.524 27.2-164.6 -74.7 126.7 20.9 -14.7 1.7 33 39 A Y S S- 0 0 9 159,-2.7 2,-0.3 1,-0.3 -1,-0.2 0.932 81.2 -6.2 -69.5 -51.2 17.6 -14.7 3.5 34 40 A A E S+F 192 0D 3 158,-0.7 158,-2.7 2,-0.0 -1,-0.3 -0.982 76.4 168.3-143.6 148.7 18.7 -17.5 5.9 35 41 A Y E -F 191 0D 31 -2,-0.3 2,-0.3 156,-0.3 156,-0.2 -0.991 14.6-162.0-158.2 158.8 22.0 -19.5 5.9 36 42 A V E -F 190 0D 1 154,-2.5 154,-0.9 -2,-0.3 2,-0.4 -0.994 19.9-128.7-143.7 148.5 24.1 -22.0 7.9 37 43 A L E -F 189 0D 1 -2,-0.3 152,-0.3 152,-0.2 151,-0.1 -0.830 39.6-107.5 -93.2 136.0 27.7 -23.2 7.8 38 44 A T > - 0 0 15 150,-2.8 3,-1.6 -2,-0.4 4,-0.4 -0.324 25.2-116.6 -61.4 142.5 28.1 -27.0 7.9 39 45 A V G > S+ 0 0 69 1,-0.3 3,-1.2 2,-0.2 -1,-0.1 0.841 114.4 56.2 -45.4 -42.0 29.3 -28.6 11.1 40 46 A N G 3 S+ 0 0 135 1,-0.2 -1,-0.3 3,-0.1 4,-0.1 0.734 101.1 55.7 -69.5 -24.3 32.5 -29.8 9.4 41 47 A E G X> S+ 0 0 38 -3,-1.6 4,-1.8 147,-0.2 3,-1.0 0.417 76.6 123.8 -90.0 1.4 33.5 -26.3 8.1 42 48 A R B <4 S+h 45 0E 28 -3,-1.2 4,-0.1 -4,-0.4 23,-0.1 -0.468 77.5 20.5 -62.1 126.1 33.5 -24.9 11.6 43 49 A G T 34 S+ 0 0 26 2,-0.7 13,-0.3 -2,-0.2 -1,-0.2 -0.158 118.4 64.6 104.8 -36.7 36.9 -23.4 12.3 44 50 A N T <4 S+ 0 0 82 -3,-1.0 9,-1.2 1,-0.1 2,-0.3 0.798 106.7 35.8 -85.7 -34.3 37.9 -23.1 8.7 45 51 A H B < S-hI 42 52E 5 -4,-1.8 -2,-0.7 7,-0.2 21,-0.3 -0.922 90.1-102.3-123.8 146.2 35.2 -20.5 7.7 46 52 A C > - 0 0 0 5,-1.8 4,-1.4 -2,-0.3 21,-0.3 -0.480 26.4-138.2 -61.9 131.6 33.7 -17.6 9.5 47 53 A E T 4 S+ 0 0 3 19,-3.6 -1,-0.1 -2,-0.2 20,-0.1 0.797 98.6 38.1 -63.2 -27.8 30.2 -18.6 10.8 48 54 A Y T 4 S+ 0 0 62 18,-0.3 -1,-0.1 3,-0.1 19,-0.1 0.947 129.3 19.6 -89.8 -58.5 28.8 -15.2 9.7 49 55 A C T 4 S- 0 0 33 2,-0.1 165,-0.2 164,-0.1 -2,-0.1 0.401 92.3-124.6-102.9 0.9 30.4 -14.1 6.4 50 56 A F < + 0 0 10 -4,-1.4 2,-0.5 1,-0.2 163,-0.2 0.741 53.5 156.2 63.9 28.2 31.7 -17.4 5.1 51 57 A T - 0 0 62 1,-0.0 -5,-1.8 2,-0.0 2,-0.8 -0.759 41.6-133.1 -90.3 125.8 35.3 -16.2 4.7 52 58 A R B +I 45 0E 143 -2,-0.5 2,-0.3 -7,-0.2 -7,-0.2 -0.695 45.7 146.0 -80.1 110.1 38.0 -18.9 4.8 53 59 A K - 0 0 103 -9,-1.2 3,-0.2 -2,-0.8 -2,-0.0 -0.957 48.6-139.4-141.5 160.7 40.8 -17.7 7.2 54 60 A E S S+ 0 0 205 -2,-0.3 2,-0.2 1,-0.2 -9,-0.1 0.407 90.6 68.0-102.7 0.8 43.2 -19.3 9.7 55 61 A G + 0 0 60 -11,-0.1 2,-0.3 2,-0.0 -1,-0.2 -0.468 67.4 148.7-119.1 61.4 43.0 -16.8 12.5 56 62 A L - 0 0 30 -13,-0.3 2,-0.3 -2,-0.2 12,-0.2 -0.701 35.1-143.8 -98.8 145.2 39.5 -17.1 13.8 57 63 A S E -J 67 0F 56 10,-2.0 10,-2.4 -2,-0.3 2,-0.2 -0.744 17.1-143.7-100.5 155.8 38.2 -16.6 17.4 58 64 A K E -J 66 0F 116 -2,-0.3 8,-0.2 8,-0.2 2,-0.0 -0.638 25.7 -81.1-114.5 170.4 35.4 -18.7 19.0 59 65 A C - 0 0 9 6,-1.1 4,-0.1 -2,-0.2 -1,-0.1 -0.332 29.4-131.0 -65.7 151.3 32.5 -18.1 21.4 60 66 A G S S+ 0 0 80 2,-0.1 -1,-0.1 1,-0.1 -2,-0.0 0.233 103.1 32.3 -87.4 12.1 33.2 -18.0 25.2 61 67 A R S S+ 0 0 126 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.572 129.1 23.6-125.7 -61.3 30.4 -20.5 25.8 62 68 A C S S- 0 0 11 1,-0.1 -2,-0.1 3,-0.0 -4,-0.0 0.839 70.5-159.1 -80.5 -35.5 30.0 -23.0 23.0 63 69 A K S S+ 0 0 116 -4,-0.1 -1,-0.1 2,-0.1 -3,-0.1 0.569 70.9 99.5 62.9 10.8 33.5 -22.9 21.5 64 70 A Q + 0 0 90 20,-0.1 2,-0.4 -6,-0.0 -1,-0.1 0.262 65.4 68.8-112.1 6.3 31.7 -24.3 18.4 65 71 A A - 0 0 0 -23,-0.1 -6,-1.1 -6,-0.1 2,-0.4 -0.993 63.3-161.6-129.1 139.7 31.3 -21.1 16.4 66 72 A F E -J 58 0F 42 -2,-0.4 -19,-3.6 -21,-0.3 -18,-0.3 -0.940 7.8-176.2-128.4 141.9 34.2 -19.2 14.7 67 73 A Y E -J 57 0F 0 -10,-2.4 -10,-2.0 -2,-0.4 3,-0.1 -0.971 37.6-122.9-140.9 148.7 34.3 -15.6 13.5 68 74 A C S S- 0 0 23 -2,-0.3 2,-0.3 -12,-0.2 -1,-0.1 0.906 89.7 -41.4 -50.3 -49.1 36.6 -13.1 11.7 69 75 A N S >> S- 0 0 81 -13,-0.1 4,-1.6 -12,-0.1 3,-0.6 -0.933 77.5 -62.0-166.3-176.9 36.3 -10.8 14.6 70 76 A V H 3> S+ 0 0 109 -2,-0.3 4,-2.3 1,-0.2 5,-0.2 0.848 125.7 57.2 -46.9 -44.8 33.9 -9.2 17.2 71 77 A E H 3> S+ 0 0 128 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.888 106.9 46.9 -59.6 -44.1 31.9 -7.5 14.5 72 78 A C H <> S+ 0 0 13 -3,-0.6 4,-1.1 1,-0.2 -1,-0.2 0.815 111.8 53.3 -66.6 -30.9 31.1 -10.8 12.7 73 79 A Q H X S+ 0 0 51 -4,-1.6 4,-1.1 2,-0.2 -2,-0.2 0.905 108.9 46.0 -71.7 -44.8 30.2 -12.4 16.0 74 80 A K H < S+ 0 0 131 -4,-2.3 3,-0.3 1,-0.2 -2,-0.2 0.900 112.5 51.2 -65.2 -42.2 27.6 -9.8 17.1 75 81 A E H < S+ 0 0 105 -4,-1.7 -1,-0.2 1,-0.2 4,-0.2 0.790 114.8 43.1 -65.4 -30.7 26.0 -9.8 13.7 76 82 A D H >X S+ 0 0 1 -4,-1.1 4,-2.7 1,-0.2 3,-0.9 0.628 91.6 89.8 -88.3 -15.2 25.7 -13.6 13.8 77 83 A W H 3X S+ 0 0 87 -4,-1.1 4,-3.3 -3,-0.3 5,-0.2 0.836 77.9 58.1 -56.5 -43.6 24.5 -13.7 17.4 78 84 A P H 34 S+ 0 0 64 0, 0.0 -1,-0.3 0, 0.0 4,-0.2 0.879 118.7 34.8 -54.9 -35.3 20.7 -13.4 16.8 79 85 A M H X4 S+ 0 0 27 -3,-0.9 3,-0.7 -4,-0.2 -2,-0.2 0.816 119.2 49.9 -83.5 -36.1 21.1 -16.6 14.7 80 86 A H H >X S+ 0 0 0 -4,-2.7 4,-3.0 1,-0.2 3,-2.9 0.815 93.3 73.6 -75.5 -31.0 23.8 -18.2 16.8 81 87 A K H 3X S+ 0 0 88 -4,-3.3 4,-0.6 1,-0.3 -1,-0.2 0.784 86.3 69.5 -49.4 -30.1 21.9 -17.7 20.0 82 88 A L H <4 S+ 0 0 7 -3,-0.7 -1,-0.3 -4,-0.2 -2,-0.2 0.653 118.7 13.8 -64.2 -20.4 19.7 -20.5 18.7 83 89 A E H <> S+ 0 0 0 -3,-2.9 4,-3.3 -4,-0.1 5,-0.3 0.657 100.4 87.8-127.8 -33.7 22.5 -23.0 19.2 84 90 A C H X S+ 0 0 2 -4,-3.0 4,-0.8 1,-0.2 -3,-0.1 0.875 105.1 31.6 -37.4 -61.2 25.2 -21.6 21.4 85 91 A S H >X S+ 0 0 31 -4,-0.6 4,-2.6 1,-0.2 3,-0.7 0.881 117.7 53.8 -69.3 -43.8 23.6 -22.8 24.6 86 92 A P H 3> S+ 0 0 4 0, 0.0 4,-2.7 0, 0.0 5,-0.5 0.809 104.3 57.7 -60.0 -30.3 21.9 -25.9 23.2 87 93 A M H 3< S+ 0 0 11 -4,-3.3 4,-0.4 2,-0.2 -2,-0.2 0.788 110.9 43.1 -69.0 -28.1 25.3 -27.0 21.9 88 94 A V H << S+ 0 0 62 -4,-0.8 -1,-0.2 -3,-0.7 4,-0.1 0.893 117.8 44.6 -79.6 -44.0 26.5 -26.8 25.5 89 95 A V H < S+ 0 0 38 -4,-2.6 -2,-0.2 1,-0.2 3,-0.2 0.940 126.0 29.3 -68.0 -51.4 23.4 -28.4 27.1 90 96 A F S >< S+ 0 0 41 -4,-2.7 3,-3.0 1,-0.2 2,-0.2 0.721 84.5 156.5 -82.4 -21.6 23.0 -31.3 24.6 91 97 A G G > S+ 0 0 35 -5,-0.5 3,-0.9 -4,-0.4 -1,-0.2 -0.061 72.5 25.2 39.9 -92.3 26.8 -31.4 24.0 92 98 A E G 3 S+ 0 0 155 1,-0.2 -1,-0.3 -2,-0.2 -2,-0.1 0.835 126.3 49.6 -66.3 -37.5 27.3 -35.0 22.8 93 99 A N G < S+ 0 0 75 -3,-3.0 2,-1.2 -4,-0.1 -1,-0.2 0.229 74.0 120.5 -94.4 13.7 23.7 -35.4 21.5 94 100 A W < + 0 0 28 -3,-0.9 -7,-0.0 -4,-0.2 -1,-0.0 -0.663 28.1 136.9 -82.0 97.8 23.4 -32.2 19.4 95 101 A N + 0 0 60 -2,-1.2 2,-0.3 54,-0.1 -1,-0.1 -0.239 14.6 159.1-140.3 50.9 22.7 -33.6 15.9 96 102 A P - 0 0 11 0, 0.0 50,-0.1 0, 0.0 -2,-0.0 -0.586 46.6-109.5 -74.6 139.3 20.0 -31.6 14.1 97 103 A S > - 0 0 49 -2,-0.3 4,-2.6 1,-0.1 3,-0.2 -0.185 28.1-108.7 -58.4 157.3 20.2 -32.1 10.3 98 104 A E H > S+ 0 0 36 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.783 120.9 58.2 -61.8 -27.5 21.3 -29.1 8.2 99 105 A T H > S+ 0 0 40 2,-0.2 4,-3.2 3,-0.2 -1,-0.2 0.931 108.5 44.8 -63.5 -47.9 17.7 -28.7 7.0 100 106 A V H > S+ 0 0 0 2,-0.2 4,-2.9 1,-0.2 -2,-0.2 0.952 112.5 51.8 -58.9 -52.6 16.5 -28.3 10.6 101 107 A R H X S+ 0 0 1 -4,-2.6 4,-1.5 1,-0.2 -2,-0.2 0.889 115.2 42.2 -50.3 -45.8 19.4 -26.0 11.3 102 108 A L H X S+ 0 0 3 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.914 111.4 53.8 -68.4 -46.8 18.4 -23.9 8.2 103 109 A T H X S+ 0 0 0 -4,-3.2 4,-2.6 1,-0.2 -2,-0.2 0.889 106.0 54.6 -59.2 -40.4 14.7 -24.0 8.9 104 110 A A H X S+ 0 0 0 -4,-2.9 4,-2.4 1,-0.2 -1,-0.2 0.938 107.1 50.6 -53.8 -49.7 15.4 -22.7 12.4 105 111 A R H X S+ 0 0 2 -4,-1.5 4,-2.0 1,-0.2 -2,-0.2 0.841 110.1 50.1 -58.9 -38.0 17.2 -19.7 10.9 106 112 A I H X S+ 0 0 1 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.942 110.9 48.3 -65.1 -48.9 14.2 -19.1 8.6 107 113 A L H X S+ 0 0 14 -4,-2.6 4,-1.3 1,-0.2 -2,-0.2 0.852 112.6 48.9 -60.8 -37.9 11.7 -19.2 11.5 108 114 A A H X S+ 0 0 9 -4,-2.4 4,-2.0 -5,-0.2 -1,-0.2 0.902 110.9 50.4 -66.8 -41.2 13.9 -16.8 13.5 109 115 A K H X S+ 0 0 49 -4,-2.0 4,-0.7 1,-0.2 -2,-0.2 0.796 107.1 54.3 -69.1 -31.3 14.2 -14.4 10.5 110 116 A Q H < S+ 0 0 39 -4,-2.0 -1,-0.2 2,-0.2 -2,-0.2 0.855 109.1 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