==== 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 3TG5 . COMPND 2 MOLECULE: N-LYSINE METHYLTRANSFERASE SMYD2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR K.ZHAO,L.WANG . 434 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20530.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 295 68.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 7 1.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 43 9.9 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 . 36 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 177 40.8 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 1 0 1 0 1 1 0 1 2 2 0 2 1 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 4 1 0 2 1 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 ANTIPARALLEL BRIDGES PER LADDER . 2 3 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 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 58 0, 0.0 3,-0.8 0, 0.0 28,-0.1 0.000 360.0 360.0 360.0 3.6 29.1 1.4 -21.1 2 7 A G T 3 + 0 0 74 1,-0.2 0, 0.0 3,-0.0 0, 0.0 0.881 360.0 43.6 -71.7 -41.7 32.6 2.4 -22.1 3 8 A G T 3 S+ 0 0 12 25,-0.2 16,-3.1 18,-0.0 17,-0.8 -0.072 112.1 70.0 -93.8 31.4 33.4 3.7 -18.6 4 9 A L E < -A 18 0A 7 -3,-0.8 2,-0.3 14,-0.3 14,-0.2 -0.969 57.9-176.1-143.1 155.1 31.8 0.6 -17.0 5 10 A E E -A 17 0A 64 12,-2.0 12,-2.5 -2,-0.3 2,-0.2 -0.994 26.3-118.3-152.4 148.5 32.6 -3.1 -16.8 6 11 A R E +A 16 0A 78 -2,-0.3 2,-0.3 10,-0.2 10,-0.2 -0.614 41.6 163.8 -80.5 148.8 31.1 -6.4 -15.6 7 12 A F E -A 15 0A 29 8,-1.6 8,-2.0 -2,-0.2 2,-0.8 -0.944 45.5 -86.1-154.9 168.7 33.1 -8.2 -12.9 8 13 A C E -A 14 0A 109 -2,-0.3 6,-0.3 6,-0.2 8,-0.0 -0.795 38.8-157.5 -88.0 110.1 32.8 -11.0 -10.3 9 14 A S E >> -A 13 0A 6 4,-2.6 3,-2.5 -2,-0.8 4,-1.0 -0.824 29.0-109.6 -89.6 119.0 31.4 -9.4 -7.1 10 15 A P T 34 S- 0 0 115 0, 0.0 -1,-0.1 0, 0.0 4,-0.0 -0.274 99.0 -0.2 -56.0 118.0 32.3 -11.7 -4.1 11 16 A G T 34 S+ 0 0 80 -2,-0.1 -3,-0.0 1,-0.0 -2,-0.0 0.536 127.3 70.9 79.8 9.4 29.2 -13.4 -2.8 12 17 A K T <4 S- 0 0 55 -3,-2.5 2,-0.3 1,-0.3 -1,-0.0 0.410 89.7-135.7-131.6 -6.6 27.0 -11.7 -5.4 13 18 A G E < -A 9 0A 43 -4,-1.0 -4,-2.6 188,-0.0 -1,-0.3 -0.662 68.5 -0.8 80.3-136.9 28.0 -13.4 -8.7 14 19 A R E S+A 8 0A 47 422,-2.7 2,-0.3 -2,-0.3 -6,-0.2 -0.480 74.5 163.2 -82.0 157.6 28.4 -11.0 -11.6 15 20 A G E -A 7 0A 0 -8,-2.0 -8,-1.6 -2,-0.1 2,-0.4 -0.918 35.2 -99.2-157.7-177.4 27.9 -7.2 -11.2 16 21 A L E -A 6 0A 2 215,-0.5 215,-3.6 -2,-0.3 2,-0.3 -0.965 32.9-177.2-119.5 132.3 28.6 -3.8 -12.7 17 22 A R E -AB 5 230A 83 -12,-2.5 -12,-2.0 -2,-0.4 213,-0.2 -0.956 26.6-112.5-128.8 149.9 31.4 -1.5 -11.6 18 23 A A E -A 4 0A 0 211,-2.5 210,-3.0 -2,-0.3 -14,-0.3 -0.537 16.0-171.3 -78.6 139.8 32.4 2.1 -12.7 19 24 A L S S+ 0 0 85 -16,-3.1 -15,-0.2 208,-0.2 -1,-0.1 0.387 79.7 30.9-102.8 -3.5 35.7 2.7 -14.5 20 25 A Q S S- 0 0 96 -17,-0.8 -1,-0.1 206,-0.2 208,-0.1 -0.959 97.2 -83.1-149.1 159.6 35.2 6.4 -14.1 21 26 A P - 0 0 73 0, 0.0 2,-0.4 0, 0.0 205,-0.2 -0.352 35.7-161.6 -68.9 147.6 33.6 8.9 -11.6 22 27 A F B -C 225 0B 9 203,-2.7 203,-2.7 -2,-0.1 2,-0.2 -0.993 3.8-153.2-130.6 125.1 29.9 9.6 -11.8 23 28 A Q > - 0 0 89 -2,-0.4 3,-1.7 201,-0.2 198,-0.4 -0.515 43.9 -75.6 -85.9 161.3 28.3 12.7 -10.1 24 29 A V T 3 S+ 0 0 55 1,-0.2 198,-0.2 -2,-0.2 -1,-0.1 -0.383 122.2 22.7 -55.6 126.1 24.7 12.7 -9.0 25 30 A G T 3 S+ 0 0 21 196,-2.7 -1,-0.2 1,-0.3 388,-0.1 -0.045 89.1 133.0 105.2 -30.4 22.4 13.1 -12.1 26 31 A D < - 0 0 66 -3,-1.7 195,-2.0 194,-0.1 2,-0.6 -0.230 60.1-120.8 -56.4 136.7 24.9 11.7 -14.6 27 32 A L E -D 220 0C 78 193,-0.2 193,-0.2 1,-0.2 3,-0.1 -0.731 24.3-173.2 -78.1 120.1 23.7 9.1 -17.1 28 33 A L E - 0 0 12 191,-3.3 2,-0.3 -2,-0.6 -25,-0.2 0.926 64.1 -42.6 -75.6 -51.1 25.7 5.9 -16.6 29 34 A F E -D 219 0C 10 190,-0.9 190,-2.5 -28,-0.1 -1,-0.4 -0.959 47.9-127.2-169.1 161.4 24.2 4.2 -19.6 30 35 A S E -D 218 0C 50 -2,-0.3 188,-0.2 188,-0.2 186,-0.0 -0.902 19.7-158.4-114.5 151.5 20.9 3.6 -21.5 31 36 A C E -D 217 0C 1 186,-2.8 186,-2.3 -2,-0.3 2,-0.2 -0.988 12.2-135.9-133.8 122.9 19.6 0.2 -22.4 32 37 A P E -D 216 0C 42 0, 0.0 2,-0.3 0, 0.0 184,-0.2 -0.514 38.5 -98.7 -71.9 145.1 17.1 -0.7 -25.2 33 38 A A - 0 0 15 182,-0.8 161,-0.2 -2,-0.2 3,-0.2 -0.513 27.0-163.3 -67.5 122.3 14.4 -3.2 -24.2 34 39 A Y S S- 0 0 10 159,-2.2 2,-0.3 1,-0.4 -1,-0.2 0.956 83.0 -1.8 -66.0 -55.3 15.3 -6.7 -25.5 35 40 A A E S+F 193 0D 2 158,-0.9 158,-2.9 -3,-0.1 -1,-0.4 -0.968 77.5 168.3-132.4 151.3 11.7 -7.7 -24.9 36 41 A Y E -F 192 0D 26 -2,-0.3 2,-0.3 156,-0.3 156,-0.2 -0.981 13.6-164.1-158.1 156.9 8.8 -5.7 -23.5 37 42 A V E -F 191 0D 0 154,-2.2 154,-1.8 -2,-0.3 2,-0.3 -0.979 21.1-127.2-150.3 132.1 5.0 -5.8 -23.1 38 43 A L E -F 190 0D 0 -2,-0.3 152,-0.3 10,-0.2 5,-0.1 -0.628 38.5-109.9 -75.6 136.2 2.3 -3.3 -22.3 39 44 A T > - 0 0 18 150,-2.6 3,-1.5 -2,-0.3 4,-0.1 -0.329 22.3-119.2 -67.5 149.2 0.1 -4.3 -19.4 40 45 A V G > S+ 0 0 66 1,-0.3 3,-2.0 2,-0.2 -1,-0.1 0.900 110.7 55.7 -56.9 -46.7 -3.5 -5.2 -20.3 41 46 A N G 3 S+ 0 0 145 1,-0.3 -1,-0.3 3,-0.0 -2,-0.1 0.463 105.1 54.8 -72.2 -0.2 -5.1 -2.5 -18.1 42 47 A E G X> S+ 0 0 42 -3,-1.5 3,-1.4 147,-0.1 4,-0.9 0.278 77.9 124.7-110.7 6.2 -3.1 0.2 -20.0 43 48 A R B <4 S+i 46 0E 38 -3,-2.0 4,-0.1 1,-0.2 23,-0.1 -0.460 72.9 25.3 -66.1 135.7 -4.3 -0.9 -23.4 44 49 A G T 34 S+ 0 0 24 2,-0.6 13,-0.3 -2,-0.2 -1,-0.2 0.221 117.4 63.4 93.5 -13.1 -5.9 2.0 -25.4 45 50 A N T <4 S+ 0 0 86 -3,-1.4 9,-0.7 1,-0.2 2,-0.4 0.537 102.8 43.7-114.4 -16.2 -3.9 4.6 -23.4 46 51 A H B < S-iJ 43 53E 8 -4,-0.9 -2,-0.6 7,-0.2 21,-0.3 -0.985 83.3-111.3-134.4 142.2 -0.4 3.7 -24.5 47 52 A C > - 0 0 0 5,-2.0 4,-1.2 -2,-0.4 21,-0.2 -0.532 24.3-143.6 -66.0 133.9 1.3 2.7 -27.7 48 53 A E T 4 S+ 0 0 1 19,-2.0 -10,-0.2 -2,-0.2 -1,-0.1 0.659 93.2 44.8 -78.7 -16.6 2.2 -1.0 -27.6 49 54 A Y T 4 S+ 0 0 79 18,-0.2 -1,-0.1 3,-0.1 19,-0.1 0.901 131.6 12.3 -90.5 -51.1 5.5 -0.5 -29.5 50 55 A C T 4 S- 0 0 34 2,-0.1 165,-0.2 164,-0.1 166,-0.2 0.346 90.4-126.6-114.8 4.3 7.2 2.6 -28.0 51 56 A F < + 0 0 8 -4,-1.2 2,-0.3 1,-0.2 163,-0.2 0.606 50.6 161.1 61.3 14.8 5.0 3.1 -24.9 52 57 A T - 0 0 46 -6,-0.1 -5,-2.0 161,-0.1 2,-0.6 -0.500 36.3-137.2 -67.0 125.7 4.3 6.7 -25.9 53 58 A R B +J 46 0E 145 -2,-0.3 2,-0.3 -7,-0.2 -7,-0.2 -0.789 47.6 129.5 -89.9 123.1 1.4 7.9 -24.1 54 59 A K - 0 0 121 -9,-0.7 2,-0.3 -2,-0.6 3,-0.2 -0.947 52.6-106.0-156.3 168.9 -0.9 9.9 -26.4 55 60 A E S S+ 0 0 183 -2,-0.3 -10,-0.1 1,-0.2 -11,-0.0 -0.701 89.8 44.5 -98.0 161.7 -4.5 10.2 -27.6 56 61 A G + 0 0 73 -2,-0.3 2,-0.3 1,-0.2 -1,-0.2 0.898 69.9 177.6 74.9 44.7 -5.8 9.0 -30.9 57 62 A L - 0 0 25 -13,-0.3 2,-0.5 -3,-0.2 12,-0.2 -0.597 31.8-115.8 -80.8 140.2 -4.2 5.6 -31.2 58 63 A S E -K 68 0F 56 10,-2.5 10,-1.5 -2,-0.3 2,-0.1 -0.634 28.1-131.9 -77.7 121.4 -4.9 3.4 -34.2 59 64 A K E -K 67 0F 120 -2,-0.5 2,-0.8 8,-0.2 8,-0.2 -0.432 26.6-104.8 -67.7 144.3 -6.7 0.2 -33.3 60 65 A C > - 0 0 3 6,-2.4 4,-3.1 1,-0.2 5,-0.2 -0.670 32.6-140.3 -69.9 110.7 -5.3 -3.0 -34.8 61 66 A G T 4 S+ 0 0 67 -2,-0.8 -1,-0.2 1,-0.2 -2,-0.1 0.665 93.6 44.5 -50.9 -25.1 -8.0 -3.6 -37.4 62 67 A R T 4 S+ 0 0 151 1,-0.0 -1,-0.2 -3,-0.0 -2,-0.0 0.900 127.9 20.0 -89.4 -47.3 -8.1 -7.4 -36.8 63 68 A C T 4 S- 0 0 13 -3,-0.2 -2,-0.2 3,-0.1 -1,-0.0 0.752 79.6-150.6 -94.9 -28.3 -8.1 -7.8 -33.0 64 69 A K S < S+ 0 0 140 -4,-3.1 -3,-0.1 2,-0.2 3,-0.1 0.772 78.4 88.3 59.4 30.8 -9.3 -4.3 -32.0 65 70 A Q + 0 0 83 -5,-0.2 2,-0.4 1,-0.1 -1,-0.1 0.450 68.4 74.0-134.9 -13.1 -7.3 -4.7 -28.8 66 71 A A - 0 0 0 -6,-0.2 -6,-2.4 -23,-0.1 2,-0.3 -0.900 63.5-161.0-106.7 139.3 -3.9 -3.4 -29.7 67 72 A F E -K 59 0F 35 -2,-0.4 -19,-2.0 -21,-0.3 2,-0.3 -0.924 7.6-172.9-124.3 145.1 -3.3 0.3 -30.2 68 73 A Y E -K 58 0F 0 -10,-1.5 -10,-2.5 -2,-0.3 -21,-0.1 -0.962 37.0-124.7-139.8 151.9 -0.5 2.2 -32.0 69 74 A C S S- 0 0 32 -2,-0.3 2,-0.2 -12,-0.2 -1,-0.1 0.886 91.0 -42.3 -56.3 -41.4 0.9 5.7 -32.6 70 75 A N S > S- 0 0 64 -12,-0.1 4,-0.8 -13,-0.1 -1,-0.1 -0.805 75.8 -65.0-162.5-159.8 0.6 5.0 -36.3 71 76 A V H > S+ 0 0 102 -2,-0.2 4,-2.8 2,-0.2 5,-0.2 0.807 126.2 56.5 -77.2 -32.5 1.1 2.4 -39.1 72 77 A E H > S+ 0 0 137 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.909 109.2 44.7 -65.2 -44.9 4.9 2.4 -38.6 73 78 A C H > S+ 0 0 18 2,-0.2 4,-1.0 1,-0.2 -1,-0.2 0.774 114.7 51.4 -68.8 -28.3 4.6 1.5 -34.9 74 79 A Q H X S+ 0 0 53 -4,-0.8 4,-1.0 2,-0.2 -2,-0.2 0.916 114.4 41.2 -70.3 -46.7 2.0 -1.1 -35.9 75 80 A K H < S+ 0 0 160 -4,-2.8 -2,-0.2 2,-0.2 -3,-0.2 0.821 114.9 50.9 -72.6 -33.9 4.2 -2.7 -38.6 76 81 A E H < S+ 0 0 112 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.787 115.4 42.7 -74.9 -28.9 7.4 -2.5 -36.4 77 82 A D H >X S+ 0 0 0 -4,-1.0 4,-2.7 -5,-0.2 3,-1.7 0.621 88.9 94.6 -88.1 -16.9 5.5 -4.2 -33.5 78 83 A W H 3X S+ 0 0 86 -4,-1.0 4,-3.2 1,-0.3 5,-0.2 0.832 76.9 58.3 -47.7 -46.5 3.8 -6.8 -35.8 79 84 A P H 34 S+ 0 0 42 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.832 117.4 35.3 -53.5 -33.3 6.5 -9.5 -35.3 80 85 A M H X4 S+ 0 0 27 -3,-1.7 3,-0.8 -4,-0.2 -2,-0.2 0.803 118.9 50.2 -87.2 -35.2 5.7 -9.3 -31.5 81 86 A H H >X S+ 0 0 1 -4,-2.7 4,-2.6 1,-0.2 3,-2.4 0.776 94.1 72.6 -74.6 -27.4 2.0 -8.6 -31.9 82 87 A K T 3< S+ 0 0 107 -4,-3.2 4,-0.3 1,-0.3 -1,-0.2 0.614 87.1 65.7 -65.2 -11.8 1.5 -11.6 -34.3 83 88 A L T <4 S+ 0 0 5 -3,-0.8 -1,-0.3 -5,-0.2 -2,-0.2 0.626 121.1 19.1 -76.3 -15.0 2.0 -13.9 -31.3 84 89 A E T <> S+ 0 0 0 -3,-2.4 4,-1.9 -4,-0.1 -2,-0.2 0.581 99.1 89.9-130.3 -22.4 -1.3 -12.3 -30.0 85 90 A C H X S+ 0 0 5 -4,-2.6 4,-0.6 1,-0.2 -3,-0.1 0.868 101.9 28.6 -53.8 -48.8 -3.2 -10.7 -32.8 86 91 A S H > S+ 0 0 61 -4,-0.3 4,-2.8 2,-0.2 3,-0.5 0.859 115.1 59.1 -84.0 -41.1 -5.3 -13.8 -33.9 87 92 A P H > S+ 0 0 12 0, 0.0 4,-2.4 0, 0.0 5,-0.3 0.786 103.6 55.9 -57.8 -27.2 -5.4 -15.6 -30.5 88 93 A M H X S+ 0 0 4 -4,-1.9 4,-0.6 2,-0.2 -2,-0.2 0.841 111.5 42.1 -72.3 -34.3 -7.2 -12.5 -29.1 89 94 A V H < S+ 0 0 83 -4,-0.6 -1,-0.2 -3,-0.5 -3,-0.1 0.908 122.0 40.5 -73.2 -44.5 -9.8 -12.7 -31.8 90 95 A V H < S+ 0 0 102 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.1 0.949 118.5 42.0 -72.8 -53.2 -10.2 -16.5 -31.4 91 96 A F H >< S- 0 0 72 -4,-2.4 3,-1.5 1,-0.2 2,-0.3 0.712 88.3-173.9 -70.3 -21.5 -10.0 -16.9 -27.6 92 97 A G G >< - 0 0 39 -4,-0.6 3,-0.6 -5,-0.3 -1,-0.2 -0.478 66.9 -9.0 69.6-120.8 -12.2 -13.9 -27.1 93 98 A E G 3 S+ 0 0 177 -2,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.199 128.3 71.8 -97.0 14.1 -12.6 -13.0 -23.5 94 99 A N G < + 0 0 101 -3,-1.5 2,-1.4 -6,-0.1 -1,-0.2 0.222 62.7 109.2-109.0 9.2 -10.8 -16.2 -22.3 95 100 A W < + 0 0 23 -3,-0.6 -3,-0.0 -7,-0.2 -7,-0.0 -0.732 38.9 149.0 -81.7 90.5 -7.4 -15.0 -23.6 96 101 A N + 0 0 125 -2,-1.4 2,-0.3 54,-0.0 -1,-0.1 -0.322 9.7 159.9-125.0 51.5 -6.0 -14.5 -20.1 97 102 A P - 0 0 11 0, 0.0 5,-0.1 0, 0.0 50,-0.1 -0.592 44.6-111.5 -78.8 133.9 -2.2 -15.1 -20.2 98 103 A S > - 0 0 51 -2,-0.3 4,-2.2 1,-0.1 3,-0.5 -0.188 27.9-108.2 -59.3 153.3 -0.3 -13.6 -17.3 99 104 A E H > S+ 0 0 39 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.753 120.0 58.0 -57.0 -27.2 2.1 -10.7 -18.0 100 105 A T H > S+ 0 0 9 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.935 106.8 46.1 -66.6 -49.0 5.0 -13.1 -17.4 101 106 A V H > S+ 0 0 0 -3,-0.5 4,-2.4 2,-0.2 -2,-0.2 0.899 111.6 52.9 -59.2 -44.5 3.9 -15.5 -20.1 102 107 A R H X S+ 0 0 2 -4,-2.2 4,-1.4 2,-0.2 -1,-0.2 0.913 113.4 42.9 -56.9 -47.2 3.3 -12.6 -22.5 103 108 A L H X S+ 0 0 0 -4,-2.0 4,-1.5 2,-0.2 -2,-0.2 0.906 112.2 52.3 -67.3 -45.1 6.8 -11.3 -21.9 104 109 A T H X S+ 0 0 0 -4,-2.9 4,-1.7 1,-0.2 -2,-0.2 0.878 105.6 57.2 -59.7 -39.4 8.4 -14.7 -22.1 105 110 A A H X S+ 0 0 0 -4,-2.4 4,-1.7 1,-0.2 -1,-0.2 0.918 105.9 48.4 -55.4 -47.8 6.6 -15.3 -25.5 106 111 A R H X S+ 0 0 1 -4,-1.4 4,-1.8 1,-0.2 -1,-0.2 0.795 105.0 61.0 -66.1 -29.5 8.2 -12.2 -27.0 107 112 A I H X S+ 0 0 1 -4,-1.5 4,-1.5 2,-0.2 -1,-0.2 0.942 106.5 44.3 -60.9 -49.4 11.6 -13.3 -25.7 108 113 A L H X S+ 0 0 12 -4,-1.7 4,-1.0 1,-0.2 -2,-0.2 0.854 111.6 52.7 -66.1 -39.4 11.5 -16.5 -27.8 109 114 A A H X S+ 0 0 10 -4,-1.7 4,-1.8 1,-0.2 -1,-0.2 0.856 108.2 52.5 -62.8 -37.1 10.2 -14.7 -30.9 110 115 A K H X S+ 0 0 49 -4,-1.8 4,-2.9 1,-0.2 -2,-0.2 0.824 104.3 55.8 -68.5 -34.5 13.1 -12.3 -30.6 111 116 A Q H < S+ 0 0 59 -4,-1.5 -1,-0.2 2,-0.2 -2,-0.2 0.754 108.2 49.5 -69.3 -26.3 15.6 -15.2 -30.4 112 117 A K H < S+ 0 0 172 -4,-1.0 -2,-0.2 -3,-0.2 -1,-0.2 0.902 119.3 35.5 -76.5 -44.9 14.2 -16.5 -33.8 113 118 A I H < S+ 0 0 102 -4,-1.8 -2,-0.2 1,-0.2 -3,-0.2 0.908 134.2 23.3 -75.6 -45.2 14.5 -13.1 -35.6 114 119 A H < + 0 0 55 -4,-2.9 -1,-0.2 -5,-0.2 -2,-0.1 -0.639 66.4 161.5-126.9 71.6 17.7 -11.8 -33.9 115 120 A P + 0 0 96 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 0.712 58.0 75.4 -69.1 -21.1 19.7 -14.8 -32.7 116 121 A E S S- 0 0 110 1,-0.2 -2,-0.0 0, 0.0 0, 0.0 -0.377 104.4 -59.9 -88.0 168.6 22.9 -12.9 -32.4 117 122 A R - 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0 0 58 -55,-1.8 3,-1.2 -2,-0.3 6,-0.3 -0.362 30.3-108.0 -76.2 165.2 2.1 6.3 15.0 329 334 A D T 3 S+ 0 0 64 1,-0.3 -1,-0.1 -2,-0.1 -2,-0.0 0.791 121.1 56.0 -66.2 -28.5 0.9 7.8 11.7 330 335 A S T 3 S+ 0 0 29 4,-0.1 -1,-0.3 5,-0.0 2,-0.1 0.432 80.5 118.6 -84.5 -1.7 4.5 7.8 10.4 331 336 A N S <> S- 0 0 0 -3,-1.2 4,-2.4 -58,-0.2 3,-0.4 -0.458 72.7-127.4 -61.1 138.1 4.6 4.1 11.0 332 337 A V H > S+ 0 0 0 -61,-3.3 4,-2.3 1,-0.2 -60,-0.1 0.817 106.9 53.3 -64.5 -34.9 5.2 2.3 7.7 333 338 A Y H > S+ 0 0 3 -62,-0.4 4,-1.3 2,-0.2 -1,-0.2 0.802 110.7 47.8 -72.1 -30.0 2.3 -0.1 8.0 334 339 A M H > S+ 0 0 4 -3,-0.4 4,-2.2 -6,-0.3 -2,-0.2 0.905 111.1 51.7 -69.4 -44.9 -0.0 2.9 8.7 335 340 A L H X S+ 0 0 0 -4,-2.4 4,-2.8 1,-0.2 -2,-0.2 0.878 105.1 56.7 -58.7 -40.7 1.5 4.6 5.6 336 341 A H H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.942 110.7 41.5 -56.2 -53.2 0.8 1.5 3.5 337 342 A M H X S+ 0 0 2 -4,-1.3 4,-2.4 2,-0.2 -1,-0.2 0.829 113.4 54.5 -66.2 -35.0 -2.9 1.5 4.2 338 343 A M H X S+ 0 0 5 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.920 109.7 47.4 -61.6 -46.2 -3.0 5.3 3.9 339 344 A Y H X S+ 0 0 31 -4,-2.8 4,-1.8 2,-0.2 -2,-0.2 0.900 113.8 46.8 -61.3 -44.7 -1.5 5.0 0.4 340 345 A Q H X S+ 0 0 16 -4,-2.3 4,-1.7 2,-0.2 -2,-0.2 0.860 111.8 51.0 -67.5 -37.2 -3.9 2.2 -0.7 341 346 A A H X S+ 0 0 0 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.876 107.4 54.5 -64.6 -39.5 -6.8 4.2 0.7 342 347 A M H X S+ 0 0 2 -4,-2.2 4,-1.4 1,-0.2 -2,-0.2 0.911 107.5 50.1 -58.5 -45.3 -5.6 7.2 -1.3 343 348 A G H X S+ 0 0 34 -4,-1.8 4,-1.5 2,-0.2 -1,-0.2 0.859 109.3 50.1 -63.6 -40.5 -5.6 5.1 -4.5 344 349 A V H X S+ 0 0 13 -4,-1.7 4,-2.8 1,-0.2 3,-0.2 0.922 108.1 53.6 -62.7 -46.0 -9.2 3.9 -3.9 345 350 A C H <>S+ 0 0 2 -4,-2.2 5,-2.4 1,-0.2 -2,-0.2 0.812 106.1 54.9 -57.5 -33.1 -10.4 7.5 -3.3 346 351 A L H <5S+ 0 0 44 -4,-1.4 3,-0.4 3,-0.2 -1,-0.2 0.874 110.0 44.0 -69.0 -40.5 -8.8 8.4 -6.7 347 352 A Y H <5S+ 0 0 187 -4,-1.5 -2,-0.2 1,-0.2 -1,-0.2 0.886 112.5 52.1 -69.4 -40.9 -10.8 5.7 -8.5 348 353 A M T <5S- 0 0 76 -4,-2.8 -1,-0.2 -5,-0.1 -2,-0.2 0.571 113.8-125.0 -65.7 -10.3 -13.9 6.7 -6.6 349 354 A Q T 5 + 0 0 130 -3,-0.4 2,-1.7 1,-0.2 -3,-0.2 0.673 62.2 147.9 61.8 21.7 -13.1 10.2 -7.8 350 355 A D >< + 0 0 59 -5,-2.4 4,-1.9 -6,-0.2 -1,-0.2 -0.670 17.4 171.7 -78.1 81.3 -13.2 11.3 -4.2 351 356 A W H > S+ 0 0 102 -2,-1.7 4,-2.0 1,-0.2 -1,-0.2 0.811 72.7 52.4 -66.4 -31.8 -10.5 13.9 -4.9 352 357 A E H > S+ 0 0 118 2,-0.2 4,-1.7 -3,-0.2 -1,-0.2 0.863 110.0 46.6 -74.0 -40.2 -10.9 15.5 -1.5 353 358 A G H > S+ 0 0 13 2,-0.2 4,-1.6 1,-0.2 -2,-0.2 0.851 112.4 52.1 -68.6 -36.4 -10.4 12.2 0.4 354 359 A A H X S+ 0 0 0 -4,-1.9 4,-2.3 -9,-0.2 -2,-0.2 0.922 109.4 48.0 -64.8 -47.2 -7.4 11.4 -1.8 355 360 A L H X S+ 0 0 19 -4,-2.0 4,-1.8 1,-0.2 -2,-0.2 0.878 107.1 58.4 -60.8 -40.3 -5.7 14.7 -1.1 356 361 A Q H X S+ 0 0 103 -4,-1.7 4,-0.8 1,-0.2 -1,-0.2 0.906 109.5 42.9 -55.7 -47.7 -6.4 14.2 2.7 357 362 A Y H >X S+ 0 0 22 -4,-1.6 4,-1.1 1,-0.2 3,-0.9 0.922 109.6 56.9 -66.1 -46.0 -4.4 10.9 2.7 358 363 A G H 3X S+ 0 0 0 -4,-2.3 4,-1.8 1,-0.3 3,-0.3 0.824 103.2 55.3 -54.0 -37.2 -1.6 12.3 0.5 359 364 A Q H 3< S+ 0 0 91 -4,-1.8 4,-0.4 1,-0.2 -1,-0.3 0.796 107.8 48.6 -66.8 -32.0 -1.0 15.1 3.1 360 365 A K H << S+ 0 0 103 -3,-0.9 -1,-0.2 -4,-0.8 -2,-0.2 0.699 115.2 46.4 -77.5 -21.7 -0.6 12.5 5.9 361 366 A I H X S+ 0 0 0 -4,-1.1 4,-1.9 -3,-0.3 -2,-0.2 0.831 93.0 72.0 -92.9 -38.2 1.9 10.5 3.8 362 367 A I H X S+ 0 0 9 -4,-1.8 4,-1.7 1,-0.2 5,-0.1 0.820 96.5 46.3 -58.4 -45.2 4.4 13.0 2.2 363 368 A K H > S+ 0 0 161 -4,-0.4 4,-1.2 2,-0.2 -1,-0.2 0.917 114.6 45.8 -69.7 -46.0 6.5 14.0 5.3 364 369 A P H > S+ 0 0 17 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.830 110.2 57.8 -62.7 -30.9 7.0 10.4 6.7 365 370 A Y H X S+ 0 0 1 -4,-1.9 4,-2.3 1,-0.2 -2,-0.2 0.882 102.9 51.7 -63.2 -42.0 7.9 9.4 3.1 366 371 A S H < S+ 0 0 56 -4,-1.7 -1,-0.2 1,-0.2 -3,-0.1 0.831 112.2 48.3 -62.9 -34.0 10.7 11.9 2.8 367 372 A K H < S+ 0 0 126 -4,-1.2 -2,-0.2 1,-0.1 -1,-0.2 0.924 116.5 38.6 -72.7 -48.2 12.1 10.6 6.1 368 373 A H H < S+ 0 0 3 -4,-2.2 -2,-0.2 -98,-0.1 -3,-0.2 0.859 106.3 69.8 -76.8 -39.4 12.0 6.8 5.3 369 374 A Y S < S- 0 0 5 -4,-2.3 3,-0.1 -5,-0.2 4,-0.1 -0.432 86.7-110.6 -78.4 153.8 13.0 6.9 1.6 370 375 A P > - 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