==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-SEP-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 26-MAY-11 3S7J . COMPND 2 MOLECULE: N-LYSINE METHYLTRANSFERASE SMYD2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR A.D.FERGUSON . 429 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21222.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 298 69.5 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 . 43 10.0 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 . 19 4.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 42 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 176 41.0 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 1 1 0 0 0 0 0 1 2 0 0 1 3 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 . 3 2 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 0 122 0, 0.0 3,-0.9 0, 0.0 28,-0.0 0.000 360.0 360.0 360.0 -56.0 43.5 10.7 32.4 2 7 A G T 3 + 0 0 60 1,-0.2 18,-0.1 3,-0.0 3,-0.1 0.010 360.0 16.6 -50.9 147.7 41.5 12.6 29.7 3 8 A G T 3 S+ 0 0 19 1,-0.1 16,-2.1 16,-0.1 17,-0.7 0.601 113.0 82.5 63.4 19.6 42.3 16.1 28.5 4 9 A L E < -A 18 0A 12 -3,-0.9 2,-0.3 14,-0.3 14,-0.2 -0.979 56.9-162.6-146.0 153.9 45.8 16.0 30.2 5 10 A E E -A 17 0A 71 12,-3.0 12,-2.8 -2,-0.3 2,-0.3 -0.998 22.2-124.3-148.3 149.7 49.3 14.7 29.4 6 11 A R E +A 16 0A 86 -2,-0.3 2,-0.3 10,-0.2 10,-0.2 -0.623 45.7 159.9 -80.7 142.6 52.7 13.7 30.8 7 12 A F E -A 15 0A 28 8,-1.7 8,-2.1 -2,-0.3 2,-0.8 -0.967 48.0 -92.5-158.7 166.8 55.5 15.6 29.1 8 13 A C E -A 14 0A 104 -2,-0.3 6,-0.3 6,-0.2 5,-0.1 -0.816 37.9-155.4 -90.9 105.8 59.1 16.7 29.5 9 14 A S > - 0 0 6 4,-2.5 3,-2.3 -2,-0.8 4,-0.4 -0.790 28.1-110.1 -84.4 118.7 59.0 20.2 31.0 10 15 A P T 3 S- 0 0 110 0, 0.0 -1,-0.1 0, 0.0 4,-0.0 -0.297 98.1 -3.3 -55.9 120.7 62.2 22.0 30.1 11 16 A G T 3 S+ 0 0 82 1,-0.1 -3,-0.0 -2,-0.0 -2,-0.0 0.675 127.1 73.8 69.5 24.2 64.4 22.4 33.2 12 17 A K S < S- 0 0 56 -3,-2.3 -3,-0.1 1,-0.3 2,-0.1 0.100 90.2-135.4-146.0 11.4 61.7 20.8 35.4 13 18 A G - 0 0 42 -4,-0.4 -4,-2.5 417,-0.2 -1,-0.3 -0.400 68.7 -1.2 64.7-133.3 61.9 17.1 34.5 14 19 A R E S+A 8 0A 47 -6,-0.3 2,-0.3 -2,-0.1 -6,-0.2 -0.595 77.5 163.8 -88.9 151.0 58.5 15.4 33.9 15 20 A G E -A 7 0A 0 -8,-2.1 -8,-1.7 -2,-0.2 2,-0.4 -0.942 37.3 -91.0-157.3 174.2 55.3 17.4 34.3 16 21 A L E -AB 6 231A 0 215,-0.5 215,-2.9 -2,-0.3 2,-0.3 -0.836 36.2-169.6-102.5 134.3 51.6 17.7 33.7 17 22 A R E -AB 5 230A 77 -12,-2.8 -12,-3.0 -2,-0.4 2,-0.2 -0.938 19.4-124.2-124.7 145.5 50.2 19.4 30.6 18 23 A A E +A 4 0A 0 211,-2.5 210,-2.9 -2,-0.3 -14,-0.3 -0.608 20.5 178.3 -84.8 144.6 46.7 20.5 29.5 19 24 A L S S+ 0 0 86 -16,-2.1 -15,-0.2 -2,-0.2 -1,-0.1 0.309 76.3 31.8-124.2 -0.7 45.2 19.3 26.2 20 25 A Q S S- 0 0 91 -17,-0.7 -1,-0.2 206,-0.1 2,-0.1 -0.943 98.3 -85.6-148.0 159.4 41.8 21.0 26.7 21 26 A P - 0 0 74 0, 0.0 2,-0.4 0, 0.0 205,-0.2 -0.495 35.7-159.8 -76.6 148.0 40.8 24.3 28.5 22 27 A F B -C 225 0B 10 203,-3.0 203,-2.6 -2,-0.1 2,-0.2 -0.994 6.6-148.2-126.2 130.8 40.1 24.3 32.3 23 28 A Q > - 0 0 85 -2,-0.4 3,-2.5 201,-0.2 198,-0.4 -0.673 39.5 -75.3 -98.3 154.9 38.0 27.0 34.1 24 29 A V T 3 S+ 0 0 57 1,-0.3 198,-0.2 -2,-0.2 -1,-0.1 -0.253 122.9 19.7 -51.1 118.9 38.4 28.3 37.6 25 30 A G T 3 S+ 0 0 20 196,-4.0 2,-0.3 1,-0.3 -1,-0.3 0.436 92.2 139.1 95.5 6.6 37.0 25.7 40.0 26 31 A D < - 0 0 70 -3,-2.5 195,-2.1 195,-0.2 2,-0.6 -0.660 54.8-125.4 -86.5 139.8 37.2 22.8 37.5 27 32 A L E -D 220 0C 75 -2,-0.3 193,-0.3 193,-0.2 3,-0.1 -0.708 24.1-177.7 -81.7 114.3 38.3 19.2 38.5 28 33 A L E - 0 0 14 191,-3.1 2,-0.3 -2,-0.6 -1,-0.2 0.920 66.6 -33.6 -75.5 -47.9 41.2 18.3 36.2 29 34 A F E -D 219 0C 26 190,-0.7 190,-2.4 2,-0.0 -1,-0.4 -0.964 49.8-131.0-167.6 162.2 41.5 14.8 37.9 30 35 A S E -D 218 0C 45 -2,-0.3 188,-0.2 188,-0.2 186,-0.0 -0.833 17.8-160.4-114.9 155.6 41.1 12.7 41.2 31 36 A C E -D 217 0C 0 186,-2.4 186,-2.7 -2,-0.3 89,-0.1 -0.969 13.2-137.7-142.2 116.0 43.7 10.3 42.5 32 37 A P E -D 216 0C 56 0, 0.0 2,-0.2 0, 0.0 184,-0.2 -0.506 42.0 -94.5 -69.6 150.2 43.0 7.5 45.0 33 38 A A - 0 0 12 182,-0.6 161,-0.2 1,-0.2 3,-0.2 -0.478 28.7-160.4 -67.5 130.9 45.7 7.3 47.7 34 39 A Y S S- 0 0 7 159,-2.7 2,-0.3 1,-0.4 -1,-0.2 0.892 81.8 -6.7 -73.7 -43.9 48.4 4.7 46.8 35 40 A A E S+F 193 0D 6 158,-0.9 158,-3.4 2,-0.0 -1,-0.4 -0.942 79.0 167.5-149.0 146.2 49.6 4.4 50.4 36 41 A Y E -F 192 0D 34 -2,-0.3 2,-0.3 156,-0.3 156,-0.3 -0.976 18.5-153.0-159.8 162.6 48.5 6.6 53.4 37 42 A V E -F 191 0D 0 154,-2.3 154,-1.6 -2,-0.3 2,-0.4 -0.984 19.0-130.3-146.9 137.5 48.6 6.9 57.2 38 43 A L E -F 190 0D 2 -2,-0.3 152,-0.2 152,-0.2 5,-0.1 -0.723 41.7-110.2 -85.3 127.9 46.3 8.6 59.8 39 44 A T > - 0 0 20 150,-2.9 3,-2.2 -2,-0.4 4,-0.4 -0.357 23.7-117.7 -59.9 139.0 48.5 10.8 62.1 40 45 A V G > S+ 0 0 65 1,-0.3 3,-2.0 2,-0.2 -1,-0.1 0.887 112.9 55.7 -45.0 -49.8 48.9 9.4 65.7 41 46 A N G 3 S+ 0 0 146 1,-0.3 -1,-0.3 3,-0.1 -2,-0.1 0.531 104.8 53.7 -65.3 -9.0 47.2 12.5 67.3 42 47 A E G X> S+ 0 0 32 -3,-2.2 3,-1.7 147,-0.2 4,-1.3 0.370 75.3 126.0-106.2 1.8 44.1 12.0 65.1 43 48 A R B <4 S+h 46 0E 31 -3,-2.0 4,-0.1 -4,-0.4 23,-0.1 -0.453 79.4 19.6 -63.2 121.4 43.5 8.4 66.1 44 49 A G T 34 S+ 0 0 22 2,-0.8 -1,-0.2 -2,-0.2 13,-0.2 0.085 114.0 71.8 104.6 -20.4 39.8 8.2 67.4 45 50 A N T <4 S+ 0 0 83 -3,-1.7 9,-0.6 1,-0.2 2,-0.3 0.745 106.2 29.2 -91.9 -32.2 38.7 11.4 65.6 46 51 A H B < S-hI 43 53E 2 -4,-1.3 -2,-0.8 7,-0.2 21,-0.3 -0.914 88.5-102.0-129.7 153.5 38.8 9.8 62.1 47 52 A C > - 0 0 0 5,-1.5 4,-1.9 -2,-0.3 21,-0.3 -0.605 27.5-138.5 -74.2 133.0 38.4 6.3 60.6 48 53 A E T 4 S+ 0 0 4 19,-2.2 -1,-0.1 -2,-0.3 20,-0.1 0.758 99.0 43.9 -64.7 -27.7 41.8 4.8 59.8 49 54 A Y T 4 S+ 0 0 76 18,-0.2 -1,-0.2 1,-0.1 19,-0.1 0.912 131.4 12.8 -83.9 -50.7 40.5 3.4 56.5 50 55 A C T 4 S- 0 0 36 2,-0.1 165,-0.2 164,-0.1 -2,-0.2 0.442 91.5-124.2-110.4 -7.0 38.4 6.2 54.8 51 56 A F < + 0 0 10 -4,-1.9 2,-0.3 1,-0.2 163,-0.2 0.608 48.6 166.9 69.6 17.2 39.4 9.2 57.0 52 57 A T - 0 0 56 -6,-0.1 -5,-1.5 1,-0.1 2,-0.9 -0.485 34.6-139.4 -65.4 124.6 35.7 10.0 58.0 53 58 A R B +I 46 0E 80 -2,-0.3 2,-0.2 -7,-0.2 -7,-0.2 -0.829 49.0 141.0 -91.3 100.4 35.4 12.4 60.9 54 59 A K - 0 0 99 -2,-0.9 3,-0.2 -9,-0.6 15,-0.0 -0.764 53.9-132.6-133.9 173.2 32.5 10.8 62.9 55 60 A E S S+ 0 0 192 -2,-0.2 2,-0.9 1,-0.1 -1,-0.0 0.702 93.1 68.3-106.5 -29.5 31.6 10.2 66.6 56 61 A G + 0 0 55 2,-0.0 2,-0.5 13,-0.0 -1,-0.1 -0.315 69.5 162.9 -89.2 50.4 30.5 6.5 66.6 57 62 A L - 0 0 27 -2,-0.9 2,-0.5 -13,-0.2 12,-0.2 -0.622 33.3-138.6 -80.5 120.2 34.0 5.2 66.0 58 63 A S E -J 68 0F 44 10,-2.7 10,-2.2 -2,-0.5 12,-0.1 -0.701 18.7-136.2 -83.0 116.6 34.6 1.5 66.7 59 64 A K E -J 67 0F 112 -2,-0.5 2,-0.6 8,-0.2 8,-0.2 -0.382 23.0-106.0 -69.7 142.0 38.0 0.8 68.5 60 65 A C >> - 0 0 2 6,-2.9 4,-2.9 1,-0.2 3,-1.1 -0.665 24.8-153.0 -74.6 116.9 40.2 -2.2 67.3 61 66 A G T 34 S+ 0 0 54 -2,-0.6 -1,-0.2 1,-0.2 -2,-0.0 0.862 89.2 61.3 -55.6 -39.7 39.9 -4.8 70.1 62 67 A R T 34 S+ 0 0 170 1,-0.2 -1,-0.2 -3,-0.1 27,-0.1 0.561 128.5 3.4 -65.5 -19.5 43.3 -6.3 69.3 63 68 A C T <4 S- 0 0 8 -3,-1.1 -2,-0.2 3,-0.1 -1,-0.2 0.433 80.8-136.3-144.3 -21.0 45.4 -3.0 70.1 64 69 A K S < S+ 0 0 134 -4,-2.9 -3,-0.1 2,-0.1 -5,-0.1 0.636 85.2 88.8 61.9 22.2 42.9 -0.4 71.3 65 70 A Q + 0 0 81 -5,-0.2 2,-0.3 1,-0.1 -1,-0.1 0.031 68.1 71.1-138.4 26.3 44.6 2.3 69.1 66 71 A A - 0 0 0 -6,-0.2 -6,-2.9 -23,-0.1 2,-0.4 -0.974 60.7-165.6-144.8 128.7 42.9 2.1 65.7 67 72 A F E -J 59 0F 33 -2,-0.3 -19,-2.2 -21,-0.3 2,-0.3 -0.944 6.5-176.7-123.2 143.7 39.3 3.3 65.2 68 73 A Y E -J 58 0F 2 -10,-2.2 -10,-2.7 -2,-0.4 3,-0.1 -0.900 39.0-119.1-136.1 163.5 36.9 2.7 62.3 69 74 A C S S- 0 0 20 -2,-0.3 2,-0.2 -12,-0.2 -1,-0.1 0.905 93.4 -34.0 -64.4 -43.3 33.4 3.7 61.1 70 75 A N S > S- 0 0 70 -12,-0.1 4,-0.7 -13,-0.1 -12,-0.0 -0.657 75.6 -74.3-153.7-157.3 32.4 -0.0 61.2 71 76 A V H > S+ 0 0 114 -2,-0.2 4,-2.3 2,-0.2 5,-0.1 0.656 121.7 62.6 -92.0 -25.4 33.7 -3.6 60.7 72 77 A E H > S+ 0 0 111 2,-0.2 4,-2.0 1,-0.2 -1,-0.1 0.913 108.2 42.7 -66.6 -42.9 33.8 -3.4 56.9 73 78 A C H > S+ 0 0 17 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.862 112.5 54.8 -67.9 -41.5 36.4 -0.5 57.2 74 79 A Q H X S+ 0 0 57 -4,-0.7 4,-0.5 2,-0.2 -2,-0.2 0.908 110.5 45.2 -58.7 -45.6 38.2 -2.5 59.9 75 80 A K H >< S+ 0 0 137 -4,-2.3 3,-0.9 1,-0.2 -2,-0.2 0.902 112.7 50.4 -65.2 -46.8 38.5 -5.5 57.6 76 81 A E H 3< S+ 0 0 94 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.806 111.2 48.4 -63.6 -34.2 39.6 -3.4 54.6 77 82 A D H >X S+ 0 0 2 -4,-2.0 4,-3.3 1,-0.2 3,-1.0 0.521 88.0 90.3 -85.9 -7.3 42.4 -1.6 56.6 78 83 A W H X S+ 0 0 1 -4,-3.3 4,-2.9 1,-0.2 3,-2.0 0.798 94.1 74.3 -66.2 -27.3 46.9 -2.2 60.2 82 87 A K H 3X S+ 0 0 60 -4,-3.0 4,-0.5 1,-0.3 -1,-0.2 0.859 88.3 62.4 -50.4 -40.4 48.5 -5.7 60.5 83 88 A L H <4 S+ 0 0 9 -3,-0.9 -1,-0.3 -5,-0.2 -2,-0.2 0.673 120.0 20.3 -57.2 -29.7 51.9 -3.9 60.3 84 89 A E H <> S+ 0 0 0 -3,-2.0 4,-2.8 -4,-0.3 5,-0.2 0.677 100.3 86.1-116.8 -28.6 51.2 -1.9 63.5 85 90 A C H X S+ 0 0 0 -4,-2.9 4,-1.1 2,-0.2 -3,-0.1 0.903 102.8 27.6 -42.7 -68.5 48.5 -3.7 65.6 86 91 A S H >X S+ 0 0 75 -4,-0.5 4,-2.9 2,-0.2 3,-0.7 0.943 119.3 55.7 -64.9 -52.9 50.7 -6.2 67.5 87 92 A P H 3> S+ 0 0 17 0, 0.0 4,-3.5 0, 0.0 5,-0.5 0.896 103.3 56.8 -48.5 -46.5 54.0 -4.1 67.6 88 93 A M H 3X S+ 0 0 2 -4,-2.8 4,-1.2 1,-0.2 7,-0.2 0.866 114.2 38.8 -50.7 -44.6 52.1 -1.2 69.2 89 94 A V H << S+ 0 0 82 -4,-1.1 -1,-0.2 -3,-0.7 -3,-0.1 0.943 117.1 48.8 -74.0 -45.2 51.0 -3.5 72.0 90 95 A V H < S+ 0 0 113 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.1 0.907 122.2 33.8 -61.2 -45.9 54.3 -5.4 72.3 91 96 A F H >< S+ 0 0 60 -4,-3.5 3,-3.1 1,-0.2 -1,-0.2 0.676 87.0 172.6 -82.8 -20.1 56.5 -2.2 72.4 92 97 A G G >< S+ 0 0 42 -4,-1.2 3,-1.1 -5,-0.5 -1,-0.2 -0.292 75.2 5.6 53.5-112.7 53.8 -0.2 74.3 93 98 A E G 3 S+ 0 0 202 1,-0.2 -1,-0.3 -2,-0.1 -2,-0.1 0.644 128.2 66.4 -72.5 -19.9 55.4 3.2 75.2 94 99 A N G < S+ 0 0 120 -3,-3.1 2,-0.9 -6,-0.1 -1,-0.2 0.370 73.7 103.3 -83.1 -0.9 58.5 2.2 73.1 95 100 A W < + 0 0 27 -3,-1.1 -7,-0.0 -7,-0.2 59,-0.0 -0.785 38.0 135.8 -87.0 102.9 56.5 2.3 69.8 96 101 A N + 0 0 121 -2,-0.9 2,-0.1 54,-0.1 -1,-0.1 -0.141 15.9 160.7-144.8 50.8 57.6 5.6 68.2 97 102 A P - 0 0 14 0, 0.0 2,-0.1 0, 0.0 50,-0.1 -0.492 45.8-110.3 -73.1 144.9 58.3 5.4 64.4 98 103 A S >> - 0 0 46 -2,-0.1 4,-2.3 1,-0.1 3,-0.5 -0.383 30.4-107.5 -66.5 153.3 58.2 8.7 62.6 99 104 A E H 3> S+ 0 0 37 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.794 121.6 59.4 -53.2 -30.2 55.2 9.1 60.1 100 105 A T H 3> S+ 0 0 43 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.946 107.4 44.0 -62.4 -50.3 57.7 8.8 57.2 101 106 A V H <> S+ 0 0 0 -3,-0.5 4,-2.2 2,-0.2 -2,-0.2 0.939 114.3 52.4 -58.8 -45.8 58.8 5.2 58.5 102 107 A R H X S+ 0 0 2 -4,-2.3 4,-1.1 1,-0.2 -2,-0.2 0.912 114.5 40.3 -55.2 -53.1 55.0 4.5 59.0 103 108 A L H X S+ 0 0 7 -4,-3.0 4,-1.7 1,-0.2 3,-0.4 0.886 113.5 53.6 -64.5 -44.5 54.1 5.5 55.4 104 109 A T H X S+ 0 0 0 -4,-2.9 4,-2.2 1,-0.2 -1,-0.2 0.835 104.0 56.4 -62.6 -33.7 57.2 3.9 53.9 105 110 A A H X S+ 0 0 0 -4,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.876 108.6 48.0 -64.0 -39.2 56.3 0.5 55.6 106 111 A R H X S+ 0 0 5 -4,-1.1 4,-2.9 -3,-0.4 -2,-0.2 0.825 107.7 54.1 -71.7 -35.6 52.9 0.7 53.8 107 112 A I H X S+ 0 0 1 -4,-1.7 4,-2.1 2,-0.2 -2,-0.2 0.916 110.6 47.7 -62.1 -43.8 54.5 1.5 50.4 108 113 A L H X S+ 0 0 14 -4,-2.2 4,-1.5 2,-0.2 -2,-0.2 0.910 112.7 48.8 -66.2 -37.8 56.6 -1.6 50.9 109 114 A A H X S+ 0 0 5 -4,-1.9 4,-2.5 1,-0.2 -2,-0.2 0.892 109.9 50.8 -68.9 -39.4 53.4 -3.6 51.9 110 115 A K H X S+ 0 0 58 -4,-2.9 4,-3.8 1,-0.2 -2,-0.2 0.893 107.6 53.9 -64.9 -38.9 51.5 -2.3 48.8 111 116 A Q H < S+ 0 0 65 -4,-2.1 -1,-0.2 2,-0.2 -2,-0.2 0.878 112.5 44.2 -62.2 -38.8 54.4 -3.3 46.4 112 117 A K H < S+ 0 0 120 -4,-1.5 -2,-0.2 -5,-0.1 -1,-0.2 0.948 122.2 38.0 -69.1 -48.8 54.2 -6.9 47.9 113 118 A I H < S+ 0 0 103 -4,-2.5 -2,-0.2 1,-0.2 -3,-0.2 0.955 133.5 21.1 -66.0 -56.1 50.4 -7.0 47.7 114 119 A H < + 0 0 71 -4,-3.8 -1,-0.2 -5,-0.2 -2,-0.1 -0.773 64.3 164.1-118.0 78.9 49.9 -5.1 44.4 115 120 A P + 0 0 106 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.773 57.5 85.2 -69.0 -22.5 53.2 -5.3 42.3 116 121 A E S S- 0 0 149 1,-0.2 2,-0.1 -5,-0.0 -2,-0.0 -0.217 102.5 -74.2 -70.4 164.2 51.2 -4.3 39.2 117 122 A R - 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