==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-SEP-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 17-AUG-11 3TG4 . COMPND 2 MOLECULE: N-LYSINE METHYLTRANSFERASE SMYD2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR K.ZHAO,L.WANG . 428 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21175.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 291 68.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 5 1.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 42 9.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 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 . 14 3.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 39 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 178 41.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.7 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 2 1 0 0 0 0 1 0 1 0 1 2 2 0 3 0 0 2 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 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 0 0 PARALLEL BRIDGES PER LADDER . 4 1 0 2 2 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 ANTIPARALLEL BRIDGES PER LADDER . 2 4 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 6 A L > 0 0 51 0, 0.0 3,-1.6 0, 0.0 28,-0.1 0.000 360.0 360.0 360.0 72.8 28.4 -1.2 26.0 2 7 A G T 3 + 0 0 86 1,-0.3 27,-0.1 3,-0.0 0, 0.0 0.743 360.0 33.1 -41.5 -58.3 31.6 -3.2 26.2 3 8 A G T 3 S+ 0 0 10 25,-0.3 16,-2.5 2,-0.0 17,-0.6 -0.013 111.9 66.9 -99.3 29.2 32.5 -4.2 22.6 4 9 A L E < -A 18 0A 9 -3,-1.6 2,-0.3 14,-0.2 14,-0.2 -0.874 58.9-164.1-137.4 166.5 31.2 -1.1 20.9 5 10 A E E -A 17 0A 65 12,-1.8 12,-2.4 -2,-0.3 2,-0.2 -0.988 24.1-113.2-154.2 151.6 32.1 2.7 20.8 6 11 A R E +A 16 0A 118 -2,-0.3 2,-0.3 10,-0.2 10,-0.2 -0.598 45.1 163.8 -77.3 144.0 30.7 6.0 19.7 7 12 A F E -A 15 0A 27 8,-2.0 8,-2.7 -2,-0.2 2,-0.7 -0.961 45.4 -94.8-152.9 167.0 32.5 7.7 16.8 8 13 A C E -A 14 0A 104 -2,-0.3 6,-0.2 6,-0.2 5,-0.1 -0.837 37.0-156.5 -87.5 112.7 32.1 10.4 14.2 9 14 A S > - 0 0 4 4,-2.3 3,-2.7 -2,-0.7 4,-0.4 -0.834 29.5-109.0 -93.7 114.6 30.8 8.7 11.1 10 15 A P T 3 S- 0 0 115 0, 0.0 -1,-0.0 0, 0.0 4,-0.0 -0.199 99.3 -0.5 -55.0 124.1 31.8 10.9 8.0 11 16 A G T 3 S+ 0 0 85 1,-0.0 -3,-0.0 2,-0.0 -2,-0.0 0.530 124.5 75.0 77.0 8.3 28.7 12.6 6.6 12 17 A K S < S- 0 0 61 -3,-2.7 2,-0.2 1,-0.4 -1,-0.0 0.234 89.1-132.4-133.5 10.9 26.4 10.9 9.2 13 18 A G S S- 0 0 49 -4,-0.4 -4,-2.3 416,-0.2 -1,-0.4 -0.497 71.0 -2.1 66.8-138.3 27.1 12.9 12.5 14 19 A R E S+A 8 0A 57 -6,-0.2 2,-0.2 -2,-0.2 -6,-0.2 -0.583 74.6 166.7 -86.7 150.0 27.7 10.5 15.4 15 20 A G E -A 7 0A 0 -8,-2.7 -8,-2.0 -2,-0.2 2,-0.4 -0.838 33.6-107.9-149.2 179.6 27.4 6.7 15.1 16 21 A L E -A 6 0A 1 215,-0.5 215,-3.4 -2,-0.2 2,-0.3 -0.982 31.4-177.0-121.3 130.3 28.2 3.4 16.8 17 22 A R E -AB 5 230A 83 -12,-2.4 -12,-1.8 -2,-0.4 213,-0.2 -0.963 25.5-111.4-128.6 149.0 30.9 1.0 15.5 18 23 A A E -A 4 0A 0 211,-2.5 210,-2.7 -2,-0.3 -14,-0.2 -0.413 18.9-174.9 -75.7 149.4 32.0 -2.4 16.6 19 24 A L S S+ 0 0 88 -16,-2.5 -15,-0.2 208,-0.2 -1,-0.1 0.230 78.1 34.8-121.3 4.1 35.3 -3.2 18.4 20 25 A Q S S- 0 0 94 -17,-0.6 -1,-0.2 206,-0.1 208,-0.1 -0.973 96.6 -87.2-151.0 154.5 34.8 -7.0 18.3 21 26 A P - 0 0 80 0, 0.0 2,-0.4 0, 0.0 205,-0.2 -0.358 34.8-162.8 -63.8 146.1 33.1 -9.5 15.9 22 27 A F B -C 225 0B 8 203,-2.3 203,-2.7 201,-0.0 2,-0.2 -0.999 7.3-150.0-124.7 133.4 29.4 -10.2 16.2 23 28 A Q > - 0 0 98 -2,-0.4 3,-2.4 201,-0.2 198,-0.4 -0.603 41.1 -73.5 -93.7 160.6 27.8 -13.2 14.6 24 29 A V T 3 S+ 0 0 60 1,-0.3 198,-0.2 -2,-0.2 -1,-0.1 -0.285 123.4 20.0 -49.9 126.9 24.2 -13.4 13.2 25 30 A G T 3 S+ 0 0 24 196,-3.3 -1,-0.3 1,-0.3 388,-0.1 0.190 90.6 137.1 95.7 -16.5 21.9 -13.6 16.2 26 31 A D < - 0 0 70 -3,-2.4 195,-2.1 195,-0.1 2,-0.7 -0.364 57.6-122.3 -62.4 140.2 24.4 -12.2 18.8 27 32 A L E -D 220 0C 81 193,-0.2 193,-0.2 1,-0.2 3,-0.1 -0.775 26.5-177.2 -81.1 113.9 23.1 -9.6 21.2 28 33 A L E - 0 0 17 191,-2.8 2,-0.3 -2,-0.7 -25,-0.3 0.920 62.8 -42.3 -74.8 -48.2 25.1 -6.4 20.8 29 34 A F E -D 219 0C 13 190,-1.1 190,-2.4 -27,-0.1 -1,-0.3 -0.969 47.2-131.9-169.6 164.2 23.4 -4.6 23.7 30 35 A S E -D 218 0C 56 -2,-0.3 188,-0.2 188,-0.2 186,-0.0 -0.882 14.5-160.8-122.7 163.1 20.1 -3.8 25.4 31 36 A C E -D 217 0C 1 186,-2.6 186,-2.4 -2,-0.3 89,-0.1 -0.916 14.5-135.6-149.6 111.5 18.7 -0.5 26.5 32 37 A P E -D 216 0C 61 0, 0.0 184,-0.2 0, 0.0 2,-0.1 -0.413 42.9 -91.1 -64.1 145.3 15.9 0.1 29.1 33 38 A A - 0 0 18 182,-0.8 161,-0.2 1,-0.2 3,-0.2 -0.352 28.4-161.4 -58.1 129.9 13.3 2.7 28.0 34 39 A Y S S- 0 0 12 159,-3.0 2,-0.3 1,-0.4 -1,-0.2 0.866 82.5 -8.3 -74.9 -43.4 14.2 6.2 29.2 35 40 A A E S+F 193 0D 3 158,-0.9 158,-2.8 -3,-0.0 -1,-0.4 -0.972 76.7 167.6-150.1 151.2 10.6 7.2 28.7 36 41 A Y E -F 192 0D 34 -2,-0.3 2,-0.3 156,-0.3 156,-0.2 -0.990 16.7-158.5-163.2 160.2 7.6 5.4 27.1 37 42 A V E -F 191 0D 0 154,-2.2 154,-1.8 -2,-0.3 2,-0.4 -0.982 22.4-125.9-149.7 131.0 3.9 5.4 26.7 38 43 A L E -F 190 0D 0 -2,-0.3 152,-0.3 152,-0.2 5,-0.1 -0.664 41.8-107.9 -73.9 129.9 1.3 2.7 25.8 39 44 A T > - 0 0 18 150,-2.8 3,-2.0 -2,-0.4 4,-0.4 -0.282 23.3-118.5 -61.0 142.0 -0.7 3.8 22.8 40 45 A V G > S+ 0 0 61 1,-0.3 3,-1.9 2,-0.2 -1,-0.1 0.871 111.3 58.6 -48.7 -45.2 -4.4 4.8 23.6 41 46 A N G 3 S+ 0 0 142 1,-0.3 -1,-0.3 3,-0.0 -2,-0.1 0.656 103.4 53.6 -65.8 -17.3 -5.9 2.0 21.4 42 47 A E G X> S+ 0 0 38 -3,-2.0 3,-2.3 147,-0.2 4,-1.7 0.432 76.3 126.1 -95.4 -0.5 -4.0 -0.7 23.4 43 48 A R B <4 S+h 46 0E 30 -3,-1.9 4,-0.1 -4,-0.4 23,-0.1 -0.352 78.8 19.7 -57.5 133.3 -5.4 0.4 26.8 44 49 A G T 34 S+ 0 0 23 2,-0.6 13,-0.4 23,-0.1 12,-0.3 0.360 119.6 68.2 87.1 -4.8 -7.0 -2.5 28.6 45 50 A N T <4 S+ 0 0 79 -3,-2.3 9,-1.3 1,-0.4 2,-0.3 0.690 105.3 27.4-111.1 -36.5 -5.1 -4.9 26.3 46 51 A H B < S-hI 43 53E 6 -4,-1.7 -2,-0.6 7,-0.2 -1,-0.4 -0.962 89.8-100.2-126.2 147.0 -1.6 -4.4 27.6 47 52 A C > - 0 0 0 5,-2.2 4,-1.5 -2,-0.3 21,-0.2 -0.456 25.2-140.0 -60.3 134.4 -0.2 -3.3 30.9 48 53 A E T 4 S+ 0 0 2 19,-2.5 -10,-0.2 1,-0.2 -1,-0.1 0.846 98.8 44.6 -64.8 -34.9 0.7 0.5 30.9 49 54 A Y T 4 S+ 0 0 76 18,-0.3 -1,-0.2 1,-0.1 19,-0.1 0.942 131.8 10.2 -80.6 -52.5 3.8 -0.3 32.9 50 55 A C T 4 S- 0 0 32 2,-0.1 -2,-0.2 164,-0.1 165,-0.1 0.411 89.3-125.6-113.3 -2.0 5.5 -3.4 31.5 51 56 A F < + 0 0 8 -4,-1.5 163,-0.1 1,-0.2 2,-0.1 0.505 51.6 158.3 69.6 6.4 3.5 -3.8 28.2 52 57 A T - 0 0 70 -6,-0.1 -5,-2.2 1,-0.1 2,-0.5 -0.396 40.9-128.0 -60.9 131.6 2.6 -7.4 29.0 53 58 A R B +I 46 0E 146 -7,-0.2 2,-0.3 -2,-0.1 -7,-0.2 -0.733 45.7 147.9 -82.9 127.7 -0.5 -8.7 27.1 54 59 A K > - 0 0 83 -9,-1.3 3,-0.5 -2,-0.5 2,-0.3 -0.977 45.4-120.5-158.8 141.9 -3.1 -10.2 29.4 55 60 A E T 3 S+ 0 0 191 -2,-0.3 -10,-0.1 1,-0.2 -11,-0.0 -0.667 96.3 26.9 -79.4 143.1 -6.9 -10.5 29.6 56 61 A G T 3 S- 0 0 69 -2,-0.3 -1,-0.2 -12,-0.3 -11,-0.1 0.830 78.0-175.6 76.5 33.0 -8.5 -9.0 32.7 57 62 A L < - 0 0 15 -3,-0.5 2,-0.3 -13,-0.4 12,-0.2 -0.290 34.7-102.3 -55.9 144.6 -5.9 -6.3 33.5 58 63 A S E -J 68 0F 57 10,-3.0 10,-2.6 1,-0.1 2,-0.3 -0.610 38.7-134.2 -77.1 131.3 -6.6 -4.4 36.7 59 64 A K E -J 67 0F 111 -2,-0.3 2,-0.2 8,-0.2 8,-0.2 -0.654 15.8-111.4 -91.6 135.9 -8.1 -1.0 36.1 60 65 A C > - 0 0 0 6,-3.4 4,-1.5 -2,-0.3 6,-0.2 -0.496 27.1-147.6 -58.6 125.9 -7.1 2.3 37.7 61 66 A G T 4 S+ 0 0 54 -2,-0.2 -1,-0.1 2,-0.2 -2,-0.0 0.638 88.1 52.4 -76.5 -17.2 -10.1 3.2 39.9 62 67 A R T 4 S+ 0 0 151 1,-0.0 -1,-0.2 0, 0.0 -2,-0.0 0.945 127.8 13.2 -82.7 -57.0 -9.7 7.0 39.5 63 68 A C T 4 S- 0 0 9 3,-0.1 -2,-0.2 26,-0.0 -1,-0.0 0.696 81.5-148.0 -95.5 -22.1 -9.6 7.5 35.8 64 69 A K S < S+ 0 0 121 -4,-1.5 -3,-0.1 2,-0.1 3,-0.0 0.680 76.7 94.1 60.2 21.0 -10.7 4.0 34.6 65 70 A Q + 0 0 82 -5,-0.1 2,-0.3 1,-0.1 -1,-0.1 0.024 66.8 69.9-134.0 25.5 -8.5 4.4 31.6 66 71 A A - 0 0 0 -6,-0.2 -6,-3.4 -23,-0.1 2,-0.3 -0.982 61.4-163.5-142.2 137.6 -5.2 2.8 32.6 67 72 A F E -J 59 0F 43 -2,-0.3 -19,-2.5 -21,-0.3 -18,-0.3 -0.945 6.0-174.5-129.5 145.5 -4.7 -1.0 33.1 68 73 A Y E -J 58 0F 0 -10,-2.6 -10,-3.0 -2,-0.3 3,-0.1 -0.910 36.1-120.8-139.0 156.7 -2.0 -3.1 34.9 69 74 A C S S- 0 0 20 -2,-0.3 2,-0.3 -12,-0.2 -1,-0.1 0.852 90.5 -35.1 -60.4 -38.0 -0.9 -6.7 35.6 70 75 A N S > S- 0 0 56 -12,-0.1 4,-1.9 -13,-0.1 -1,-0.1 -0.903 79.7 -67.7-171.4-178.2 -1.3 -6.3 39.3 71 76 A V H > S+ 0 0 113 -2,-0.3 4,-2.5 1,-0.2 5,-0.1 0.782 125.4 59.2 -64.0 -30.2 -0.8 -3.7 42.2 72 77 A E H > S+ 0 0 134 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.937 107.3 43.9 -63.3 -52.2 3.0 -3.7 41.7 73 78 A C H > S+ 0 0 18 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.895 114.5 51.4 -59.8 -42.0 2.8 -2.6 38.1 74 79 A Q H X S+ 0 0 55 -4,-1.9 4,-0.7 2,-0.2 -2,-0.2 0.920 112.3 45.4 -61.1 -44.7 0.1 0.0 39.0 75 80 A K H >< S+ 0 0 165 -4,-2.5 3,-0.7 1,-0.2 -2,-0.2 0.906 113.1 49.8 -64.2 -44.3 2.3 1.4 41.9 76 81 A E H 3< S+ 0 0 106 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.804 110.4 50.3 -67.1 -33.0 5.4 1.5 39.7 77 82 A D H >X S+ 0 0 1 -4,-1.8 4,-3.1 -5,-0.2 3,-1.4 0.634 85.5 92.5 -79.1 -14.4 3.7 3.4 36.9 78 83 A W H X S+ 0 0 4 -4,-3.1 4,-2.1 1,-0.3 3,-2.0 0.805 93.9 68.8 -63.9 -31.1 0.5 7.9 35.2 82 87 A K H 3X S+ 0 0 82 -4,-2.5 4,-0.5 1,-0.3 -1,-0.3 0.711 85.6 69.8 -61.7 -21.9 -0.3 10.8 37.5 83 88 A L H <4 S+ 0 0 6 -3,-1.5 -1,-0.3 -5,-0.2 75,-0.2 0.706 119.1 18.5 -62.4 -22.5 0.5 13.2 34.6 84 89 A E H <> S+ 0 0 0 -3,-2.0 4,-2.5 -4,-0.3 -2,-0.2 0.574 103.5 84.4-125.1 -18.9 -2.7 11.9 32.9 85 90 A C H X S+ 0 0 1 -4,-2.1 4,-1.1 1,-0.2 -3,-0.1 0.965 102.7 31.2 -59.8 -60.6 -4.9 10.3 35.6 86 91 A S H X S+ 0 0 63 -4,-0.5 4,-2.9 1,-0.2 3,-0.5 0.910 117.6 56.4 -65.5 -43.0 -6.6 13.4 36.9 87 92 A P H > S+ 0 0 8 0, 0.0 4,-3.2 0, 0.0 5,-0.4 0.870 102.9 55.8 -58.2 -36.2 -6.6 15.3 33.6 88 93 A M H X S+ 0 0 2 -4,-2.5 4,-1.4 1,-0.2 7,-0.2 0.863 112.5 42.5 -63.4 -33.8 -8.4 12.4 31.9 89 94 A V H < S+ 0 0 90 -4,-1.1 -1,-0.2 -3,-0.5 -3,-0.1 0.920 117.4 46.4 -72.2 -45.5 -11.2 12.8 34.5 90 95 A V H < S+ 0 0 105 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.1 0.923 123.3 33.3 -64.9 -45.9 -11.2 16.6 34.4 91 96 A F H >< S+ 0 0 55 -4,-3.2 3,-2.3 -5,-0.2 -1,-0.2 0.700 83.4 172.5 -87.4 -23.2 -11.1 16.8 30.5 92 97 A G G >< S+ 0 0 37 -4,-1.4 3,-2.0 -5,-0.4 -1,-0.2 -0.217 73.5 4.2 54.4-130.7 -13.2 13.7 29.8 93 98 A E G 3 S+ 0 0 190 1,-0.3 -1,-0.3 -4,-0.1 -2,-0.1 0.689 130.1 64.2 -55.7 -22.8 -14.1 13.4 26.1 94 99 A N G < S+ 0 0 106 -3,-2.3 2,-0.9 -6,-0.1 -1,-0.3 0.573 71.8 106.5 -82.9 -10.5 -11.9 16.5 25.5 95 100 A W < + 0 0 25 -3,-2.0 -7,-0.0 -7,-0.2 -3,-0.0 -0.600 36.9 139.4 -73.1 104.3 -8.6 14.8 26.6 96 101 A N + 0 0 120 -2,-0.9 -1,-0.1 54,-0.1 3,-0.1 -0.097 13.9 161.4-143.5 42.3 -6.8 14.2 23.3 97 102 A P - 0 0 10 0, 0.0 50,-0.1 0, 0.0 5,-0.0 -0.407 46.2-108.8 -64.8 142.1 -3.0 15.0 23.4 98 103 A S > - 0 0 47 1,-0.1 4,-2.2 -2,-0.1 3,-0.2 -0.219 28.6-108.8 -62.3 160.9 -1.1 13.3 20.5 99 104 A E H > S+ 0 0 41 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.860 121.1 58.7 -64.1 -33.3 1.1 10.4 21.4 100 105 A T H > S+ 0 0 45 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.904 107.7 46.5 -60.0 -41.4 4.2 12.6 20.7 101 106 A V H > S+ 0 0 0 -3,-0.2 4,-2.7 2,-0.2 -2,-0.2 0.919 110.2 53.5 -64.1 -44.4 2.9 15.0 23.4 102 107 A R H X S+ 0 0 2 -4,-2.2 4,-1.1 1,-0.2 -2,-0.2 0.894 113.2 42.6 -58.1 -45.2 2.2 12.1 25.8 103 108 A L H X S+ 0 0 3 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.898 112.2 52.7 -68.0 -43.8 5.8 10.8 25.4 104 109 A T H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.884 104.9 56.6 -63.2 -37.3 7.3 14.3 25.6 105 110 A A H X S+ 0 0 0 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.894 108.6 47.6 -55.5 -41.2 5.4 14.9 28.9 106 111 A R H X S+ 0 0 2 -4,-1.1 4,-2.5 2,-0.2 -2,-0.2 0.835 107.0 55.7 -74.4 -31.8 7.1 11.8 30.3 107 112 A I H X S+ 0 0 1 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.948 110.0 46.7 -58.7 -49.1 10.5 12.9 29.1 108 113 A L H X S+ 0 0 12 -4,-2.3 4,-1.5 1,-0.2 -2,-0.2 0.895 112.1 50.2 -61.6 -42.2 10.0 16.1 31.1 109 114 A A H X S+ 0 0 8 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.920 110.9 49.1 -61.0 -44.9 8.8 14.2 34.1 110 115 A K H X S+ 0 0 54 -4,-2.5 4,-3.4 1,-0.2 -2,-0.2 0.882 106.8 55.2 -63.3 -40.2 11.9 11.8 34.0 111 116 A Q H < S+ 0 0 43 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.849 111.8 45.0 -62.5 -34.1 14.3 14.8 33.7 112 117 A K H < S+ 0 0 179 -4,-1.5 -2,-0.2 -3,-0.2 -1,-0.2 0.887 118.7 41.5 -72.2 -43.4 12.8 16.2 36.9 113 118 A I H < S+ 0 0 100 -4,-2.3 -2,-0.2 1,-0.3 -3,-0.2 0.880 132.0 21.1 -72.2 -39.2 12.8 12.8 38.7 114 119 A H < + 0 0 54 -4,-3.4 -1,-0.3 -5,-0.2 -2,-0.1 -0.714 64.4 166.1-136.2 77.8 16.2 11.7 37.5 115 120 A P + 0 0 101 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.862 56.7 82.0 -66.6 -35.0 18.4 14.6 36.3 116 121 A E S S- 0 0 115 1,-0.2 2,-0.0 0, 0.0 -2,-0.0 -0.175 101.3 -74.3 -68.5 161.7 21.7 12.6 36.2 117 122 A R - 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