==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 14-NOV-06 2NWD . COMPND 2 MOLECULE: LYSOZYME C; . SOURCE 2 SYNTHETIC: YES; . AUTHOR T.DUREK,V.Y.TORBEEV,S.B.H.KENT . 130 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6944.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 89 68.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 1.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 12 9.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 1.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.8 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 . 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 . 9 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 26 20.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 35 26.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 2.3 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 0 0 1 0 0 0 1 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 2 1 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 1 X K 0 0 69 0, 0.0 39,-2.7 0, 0.0 2,-0.7 0.000 360.0 360.0 360.0 152.3 1.7 20.5 21.3 2 2 X V B -A 39 0A 98 37,-0.2 37,-0.2 38,-0.1 2,-0.2 -0.937 360.0-144.6-103.3 111.4 4.3 19.6 18.7 3 3 X F - 0 0 13 35,-2.7 2,-0.3 -2,-0.7 3,-0.0 -0.508 9.3-124.0 -72.5 148.6 7.0 22.3 18.9 4 4 X E > - 0 0 142 -2,-0.2 4,-2.5 1,-0.1 5,-0.2 -0.647 35.6-106.8 -77.7 151.3 8.9 23.6 15.9 5 5 X R H > S+ 0 0 85 -2,-0.3 4,-2.2 1,-0.2 5,-0.1 0.889 113.3 37.3 -49.5 -60.5 12.6 23.1 16.3 6 6 X a H > S+ 0 0 27 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.864 113.2 56.9 -72.4 -33.2 13.8 26.7 16.9 7 7 X E H > S+ 0 0 61 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.925 110.1 47.1 -56.2 -45.1 10.7 27.6 19.0 8 8 X L H X S+ 0 0 1 -4,-2.5 4,-2.9 2,-0.2 5,-0.3 0.920 107.8 55.3 -64.2 -41.8 11.6 24.7 21.3 9 9 X A H X S+ 0 0 0 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.932 112.2 42.5 -57.3 -47.1 15.3 25.7 21.4 10 10 X R H X S+ 0 0 104 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.873 112.3 54.7 -67.2 -35.9 14.4 29.2 22.7 11 11 X T H X S+ 0 0 22 -4,-2.1 4,-1.2 -5,-0.2 -2,-0.2 0.927 110.8 45.4 -61.2 -47.2 11.8 27.8 25.1 12 12 X L H <>S+ 0 0 0 -4,-2.9 5,-2.2 2,-0.2 6,-0.3 0.876 111.1 53.5 -63.5 -40.7 14.4 25.5 26.6 13 13 X K H ><5S+ 0 0 93 -4,-2.1 3,-1.8 -5,-0.3 5,-0.3 0.938 107.3 50.1 -62.5 -45.4 16.9 28.3 26.8 14 14 X R H 3<5S+ 0 0 181 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.797 106.6 57.9 -63.1 -26.5 14.5 30.6 28.7 15 15 X L T 3<5S- 0 0 53 -4,-1.2 -1,-0.3 -5,-0.2 -2,-0.2 0.320 121.9-105.8 -86.5 6.7 13.9 27.7 31.1 16 16 X G T < 5S+ 0 0 40 -3,-1.8 -3,-0.2 -4,-0.1 -2,-0.1 0.708 80.3 128.7 84.4 21.1 17.5 27.5 32.0 17 17 X M > < + 0 0 0 -5,-2.2 3,-1.7 2,-0.1 2,-0.8 0.663 34.5 106.0 -82.2 -20.9 18.5 24.3 30.1 18 18 X D T 3 S- 0 0 83 -6,-0.3 6,-0.2 1,-0.3 4,-0.1 -0.524 105.2 -9.5 -71.3 108.8 21.6 25.6 28.3 19 19 X G T > S+ 0 0 41 4,-2.2 3,-2.2 -2,-0.8 -1,-0.3 0.560 86.9 167.1 83.1 9.5 24.5 24.1 30.0 20 20 X Y B X S-B 23 0B 55 -3,-1.7 3,-2.0 3,-0.7 -1,-0.3 -0.414 80.2 -12.1 -62.1 120.9 22.5 22.7 32.9 21 21 X R T 3 S- 0 0 159 1,-0.3 -1,-0.3 -2,-0.2 3,-0.1 0.850 135.0 -53.6 48.4 42.9 24.8 20.3 34.8 22 22 X G T < S+ 0 0 75 -3,-2.2 2,-0.6 1,-0.2 -1,-0.3 0.502 105.0 133.2 81.4 5.0 27.1 20.6 31.7 23 23 X I B < -B 20 0B 11 -3,-2.0 -4,-2.2 -6,-0.1 -3,-0.7 -0.815 48.8-138.0-101.9 114.9 24.5 19.7 29.1 24 24 X S >> - 0 0 44 -2,-0.6 4,-1.7 -5,-0.2 3,-0.7 -0.236 22.0-114.1 -64.8 155.7 24.4 21.9 26.0 25 25 X L H 3> S+ 0 0 4 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.882 116.0 60.1 -54.9 -40.2 21.1 23.0 24.5 26 26 X A H 3> S+ 0 0 11 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.844 102.9 52.5 -61.7 -34.6 21.8 21.0 21.4 27 27 X N H <> S+ 0 0 33 -3,-0.7 4,-2.3 2,-0.2 -1,-0.2 0.911 109.4 48.1 -66.0 -41.8 21.9 17.8 23.5 28 28 X W H X S+ 0 0 0 -4,-1.7 4,-2.4 2,-0.2 -2,-0.2 0.881 112.2 50.2 -62.0 -39.4 18.5 18.6 25.0 29 29 X M H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.919 109.8 49.0 -64.3 -45.9 17.2 19.2 21.5 30 30 X b H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 5,-0.2 0.923 111.3 51.8 -60.9 -40.1 18.5 15.9 20.2 31 31 X L H X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.2 5,-0.3 0.949 112.3 44.4 -59.3 -51.9 17.0 14.2 23.2 32 32 X A H X>S+ 0 0 0 -4,-2.4 4,-2.0 1,-0.2 6,-1.5 0.884 111.8 54.0 -63.3 -38.3 13.6 15.7 22.6 33 33 X K H X5S+ 0 0 92 -4,-2.6 4,-1.5 4,-0.2 -1,-0.2 0.950 116.1 36.4 -59.1 -50.7 13.7 15.0 18.9 34 34 X W H <5S+ 0 0 110 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.794 118.3 50.0 -80.5 -27.4 14.4 11.3 19.3 35 35 X E H <5S- 0 0 45 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.901 138.4 -11.1 -71.3 -46.1 12.2 10.7 22.3 36 36 X S H <5S- 0 0 20 -4,-2.0 3,-0.5 20,-0.3 -3,-0.2 0.399 83.9-108.6-139.1 -3.4 9.0 12.4 21.1 37 37 X G S < -A 2 0A 41 -3,-0.5 3,-0.9 -7,-0.3 -37,-0.2 -0.872 36.7-167.5-109.7 114.5 5.6 16.3 21.1 40 40 X T T 3 S+ 0 0 2 -39,-2.7 16,-0.3 -2,-0.6 -1,-0.1 0.662 88.1 55.0 -72.8 -17.6 4.4 17.1 24.6 41 41 X R T 3 S+ 0 0 186 -40,-0.3 -1,-0.2 14,-0.2 44,-0.1 0.453 80.3 128.1 -96.8 -0.7 1.4 14.8 24.5 42 42 X A < + 0 0 18 -3,-0.9 13,-2.8 12,-0.1 2,-0.3 -0.202 32.4 176.5 -59.5 140.0 3.5 11.7 23.5 43 43 X T E -C 54 0C 81 11,-0.2 2,-0.4 15,-0.1 11,-0.2 -0.994 15.1-169.9-145.1 149.9 3.1 8.5 25.6 44 44 X N E -C 53 0C 73 9,-1.9 9,-2.7 -2,-0.3 2,-0.4 -0.918 12.8-148.6-143.8 117.0 4.5 5.1 25.5 45 45 X Y E -C 52 0C 116 -2,-0.4 2,-0.9 7,-0.2 7,-0.2 -0.720 8.8-149.1 -82.1 134.6 3.3 2.2 27.5 46 46 X N E >>> -C 51 0C 45 5,-3.1 4,-1.6 -2,-0.4 3,-0.8 -0.848 12.0-173.4-103.1 96.9 6.0 -0.4 28.3 47 47 X A T 345S+ 0 0 73 -2,-0.9 -1,-0.2 1,-0.2 5,-0.0 0.774 77.6 67.2 -63.1 -27.6 4.0 -3.6 28.6 48 48 X G T 345S+ 0 0 87 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.0 0.868 121.2 12.9 -63.4 -38.7 7.1 -5.5 29.8 49 49 X D T <45S- 0 0 65 -3,-0.8 -2,-0.2 2,-0.2 -1,-0.2 0.350 98.6-115.9-123.7 7.4 7.3 -3.6 33.1 50 50 X R T <5S+ 0 0 154 -4,-1.6 2,-0.2 1,-0.3 -3,-0.2 0.505 73.9 124.4 70.2 14.0 3.9 -1.8 33.4 51 51 X S E < -C 46 0C 0 -5,-0.6 -5,-3.1 19,-0.1 2,-0.4 -0.522 48.5-143.4 -97.3 166.1 5.5 1.6 33.4 52 52 X T E -C 45 0C 9 -7,-0.2 9,-2.3 -2,-0.2 2,-0.4 -0.986 6.1-138.0-133.0 142.8 4.7 4.5 31.0 53 53 X D E -CD 44 60C 27 -9,-2.7 -9,-1.9 -2,-0.4 2,-0.4 -0.853 28.0-155.9 -97.9 132.8 6.9 7.2 29.3 54 54 X Y E > -CD 43 59C 20 5,-2.3 5,-2.0 -2,-0.4 3,-0.4 -0.941 30.7 -29.2-122.3 131.4 5.4 10.7 29.3 55 55 X G T > 5S- 0 0 0 -13,-2.8 3,-1.3 -2,-0.4 -16,-0.2 -0.140 98.5 -23.0 82.2-164.3 5.8 13.8 27.3 56 56 X I T 3 5S+ 0 0 2 28,-0.4 -20,-0.3 1,-0.3 -18,-0.3 0.797 140.8 35.3 -65.2 -28.6 8.4 15.6 25.3 57 57 X F T 3 5S- 0 0 2 -3,-0.4 -1,-0.3 27,-0.2 -2,-0.2 0.342 104.1-127.2-103.6 2.8 11.3 13.8 27.1 58 58 X Q T < 5 - 0 0 19 -3,-1.3 2,-0.3 1,-0.2 -3,-0.2 0.926 35.6-168.8 50.3 53.5 9.5 10.5 27.6 59 59 X I E < -D 54 0C 4 -5,-2.0 -5,-2.3 25,-0.1 2,-0.3 -0.561 17.3-121.1 -78.6 135.6 10.1 10.5 31.3 60 60 X N E >>> -D 53 0C 38 -2,-0.3 4,-1.9 -7,-0.2 3,-0.8 -0.557 3.8-141.1 -93.6 140.7 9.3 7.2 32.9 61 61 X S T 345S+ 0 0 0 -9,-2.3 6,-0.2 -2,-0.3 13,-0.1 0.570 88.2 78.4 -72.3 -15.0 6.8 6.6 35.7 62 62 X R T 345S+ 0 0 81 11,-0.2 12,-2.5 -10,-0.1 -1,-0.2 0.869 119.5 0.0 -63.1 -40.9 8.8 3.9 37.6 63 63 X Y T <45S+ 0 0 107 -3,-0.8 13,-3.1 10,-0.2 -2,-0.2 0.641 131.8 45.2-115.8 -27.2 11.1 6.5 39.2 64 64 X W T <5S+ 0 0 39 -4,-1.9 13,-2.2 11,-0.3 15,-0.3 0.796 106.3 17.1-110.1 -31.3 10.2 10.0 38.2 65 65 X c S S- 0 0 12 -9,-0.1 3,-1.8 -18,-0.0 -2,-0.1 -0.890 77.8-122.9-105.4 113.3 3.0 1.6 38.0 71 71 X P T 3 S- 0 0 71 0, 0.0 -2,-0.1 0, 0.0 -20,-0.0 -0.299 86.2 -4.4 -63.9 134.6 3.7 -1.1 40.6 72 72 X G T 3 S+ 0 0 82 1,-0.2 -10,-0.0 -2,-0.0 2,-0.0 0.624 97.9 153.7 68.7 12.1 6.3 -0.3 43.2 73 73 X A < - 0 0 31 -3,-1.8 2,-0.2 1,-0.1 -10,-0.2 -0.258 30.9-153.1 -77.5 158.7 7.0 3.0 41.6 74 74 X V - 0 0 76 -12,-2.5 -9,-0.3 -13,-0.1 2,-0.2 -0.678 12.3-134.5-121.2-178.1 8.4 6.1 43.1 75 75 X N > + 0 0 54 -2,-0.2 3,-1.7 -11,-0.2 -11,-0.3 -0.612 27.4 166.8-144.1 70.9 8.1 9.8 42.2 76 76 X A T 3 S+ 0 0 21 -13,-3.1 -12,-0.2 1,-0.3 -11,-0.1 0.772 80.8 52.8 -70.1 -26.0 11.4 11.6 42.3 77 77 X d T 3 S- 0 0 7 -13,-2.2 -1,-0.3 2,-0.2 -12,-0.1 0.505 102.4-134.5 -81.0 -5.7 10.1 14.6 40.4 78 78 X H < + 0 0 159 -3,-1.7 2,-0.3 1,-0.2 -13,-0.1 0.917 64.3 115.6 48.1 52.8 7.2 14.9 42.9 79 79 X L S S- 0 0 34 -15,-0.3 -13,-2.7 16,-0.0 2,-0.2 -0.992 72.6-106.4-139.3 153.1 4.7 15.5 40.1 80 80 X S B > -e 66 0D 66 -2,-0.3 3,-1.9 -15,-0.2 4,-0.4 -0.556 34.5-122.1 -64.1 142.7 1.7 13.8 38.6 81 81 X c G > S+ 0 0 1 -15,-2.5 3,-1.7 1,-0.3 -1,-0.1 0.805 111.2 73.3 -60.3 -24.6 2.7 12.3 35.3 82 82 X S G > S+ 0 0 80 -16,-0.4 3,-2.0 1,-0.3 -1,-0.3 0.839 85.8 64.3 -52.1 -36.2 -0.2 14.5 33.9 83 83 X A G X S+ 0 0 15 -3,-1.9 3,-0.8 1,-0.3 9,-0.3 0.754 94.7 59.2 -62.1 -25.1 2.1 17.4 34.5 84 84 X L G < S+ 0 0 3 -3,-1.7 -28,-0.4 -4,-0.4 -1,-0.3 0.302 98.3 60.2 -87.1 7.4 4.4 16.0 31.8 85 85 X L G < S+ 0 0 58 -3,-2.0 -1,-0.2 -30,-0.1 -2,-0.2 0.190 79.8 115.5-116.5 13.1 1.6 16.1 29.2 86 86 X Q S < S- 0 0 80 -3,-0.8 6,-0.1 2,-0.2 -3,-0.0 -0.453 71.0-130.3 -78.0 153.7 1.1 19.9 29.3 87 87 X D S S+ 0 0 99 -2,-0.1 2,-0.6 -46,-0.0 -1,-0.1 0.858 99.1 75.0 -65.6 -38.2 1.8 22.2 26.4 88 88 X N S S- 0 0 103 1,-0.1 3,-0.4 -48,-0.0 4,-0.3 -0.727 72.4-162.8 -75.8 119.7 3.7 24.3 28.8 89 89 X I > + 0 0 5 -2,-0.6 4,-2.8 1,-0.2 5,-0.2 0.309 58.4 106.3 -92.8 10.4 7.0 22.4 29.4 90 90 X A H > S+ 0 0 36 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.923 85.1 44.5 -56.8 -47.1 8.2 24.1 32.6 91 91 X D H > S+ 0 0 60 -3,-0.4 4,-2.3 2,-0.2 -1,-0.2 0.901 112.6 51.2 -65.7 -42.5 7.3 21.1 34.8 92 92 X A H > S+ 0 0 7 -9,-0.3 4,-2.6 -4,-0.3 -1,-0.2 0.892 111.0 49.3 -58.5 -40.7 8.8 18.7 32.3 93 93 X V H X S+ 0 0 2 -4,-2.8 4,-2.5 2,-0.2 -2,-0.2 0.919 108.7 52.1 -65.0 -44.7 12.0 20.8 32.3 94 94 X A H X S+ 0 0 53 -4,-2.5 4,-1.9 -5,-0.2 -2,-0.2 0.907 113.0 46.1 -56.4 -41.2 12.1 20.8 36.1 95 95 X d H X S+ 0 0 1 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.923 109.8 52.2 -70.4 -41.5 11.8 17.0 36.0 96 96 X A H X S+ 0 0 0 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.890 109.0 51.9 -59.6 -39.5 14.4 16.6 33.3 97 97 X K H X S+ 0 0 42 -4,-2.5 4,-0.8 1,-0.2 -1,-0.2 0.917 108.7 51.0 -60.8 -44.4 16.8 18.7 35.5 98 98 X R H >X S+ 0 0 55 -4,-1.9 3,-0.9 1,-0.2 4,-0.5 0.916 107.2 53.5 -56.6 -47.6 16.0 16.4 38.4 99 99 X V H >< S+ 0 0 4 -4,-2.5 3,-1.5 1,-0.2 6,-0.3 0.940 109.1 48.4 -54.4 -48.6 16.8 13.4 36.3 100 100 X V H 3< S+ 0 0 2 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.559 93.7 73.9 -79.8 -5.0 20.3 14.8 35.4 101 101 X R H << S+ 0 0 117 -3,-0.9 -1,-0.3 -4,-0.8 -2,-0.2 0.700 85.2 86.4 -72.0 -15.6 21.2 15.6 39.0 102 102 X D S X< S- 0 0 50 -3,-1.5 3,-1.7 -4,-0.5 6,-0.1 -0.321 103.0 -94.1 -80.7 164.2 21.6 11.9 39.4 103 103 X P T 3 S+ 0 0 133 0, 0.0 4,-0.1 0, 0.0 -1,-0.1 0.837 119.0 55.2 -51.3 -44.1 25.0 10.3 38.5 104 104 X Q T > S- 0 0 107 1,-0.2 3,-1.8 -5,-0.1 -4,-0.1 0.710 82.3-174.4 -67.1 -18.3 24.3 9.3 34.9 105 105 X G G X S- 0 0 15 -3,-1.7 3,-1.9 -6,-0.3 -1,-0.2 -0.348 70.4 -6.3 60.3-140.5 23.3 12.8 33.9 106 106 X I G > S+ 0 0 13 1,-0.3 3,-1.5 2,-0.1 -1,-0.3 0.705 123.9 78.7 -62.6 -20.2 22.0 12.9 30.3 107 107 X R G < + 0 0 111 -3,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.609 67.5 90.0 -67.4 -8.0 23.0 9.2 29.9 108 108 X A G < S+ 0 0 30 -3,-1.9 2,-0.7 -6,-0.1 -1,-0.3 0.821 78.3 67.9 -54.0 -33.8 19.8 8.4 31.8 109 109 X W S X> S- 0 0 18 -3,-1.5 4,-1.5 1,-0.2 3,-0.9 -0.827 71.0-157.8 -94.4 115.1 18.0 8.3 28.4 110 110 X V H 3> S+ 0 0 77 -2,-0.7 4,-2.6 1,-0.3 5,-0.2 0.873 93.3 62.1 -57.4 -34.8 19.1 5.4 26.2 111 111 X A H 3> S+ 0 0 19 1,-0.2 4,-2.4 2,-0.2 5,-0.3 0.835 100.7 53.7 -60.9 -34.7 17.8 7.3 23.2 112 112 X W H <>>S+ 0 0 15 -3,-0.9 5,-2.6 -6,-0.2 4,-2.3 0.936 109.4 47.3 -64.4 -45.0 20.4 9.9 23.9 113 113 X R H <5S+ 0 0 97 -4,-1.5 -2,-0.2 3,-0.2 -1,-0.2 0.914 119.1 42.0 -56.7 -41.3 23.2 7.3 24.0 114 114 X N H <5S+ 0 0 91 -4,-2.6 -2,-0.2 1,-0.1 -1,-0.2 0.822 130.9 19.1 -74.8 -37.5 21.8 5.8 20.7 115 115 X R H <5S+ 0 0 121 -4,-2.4 -3,-0.2 -5,-0.2 -2,-0.2 0.461 133.4 24.4-118.8 -12.7 21.1 9.0 18.8 116 116 X b T ><5S+ 0 0 2 -4,-2.3 3,-1.7 -5,-0.3 -3,-0.2 0.644 85.0 101.6-129.5 -39.1 23.1 11.9 20.4 117 117 X Q T 3 + 0 0 17 -2,-1.0 3,-1.5 1,-0.2 4,-0.4 0.237 40.3 108.8-101.8 14.4 24.5 17.7 17.3 122 122 X R G >> + 0 0 181 1,-0.3 3,-1.5 2,-0.2 4,-0.9 0.813 65.8 70.5 -61.4 -32.0 25.0 21.3 16.1 123 123 X Q G 34 S+ 0 0 135 -3,-0.3 3,-0.4 1,-0.3 -1,-0.3 0.784 84.9 68.9 -58.3 -27.3 22.3 21.1 13.5 124 124 X Y G <4 S+ 0 0 24 -3,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.794 111.0 29.5 -68.7 -24.5 19.6 21.1 16.2 125 125 X V T X4 S+ 0 0 36 -3,-1.5 3,-2.0 -4,-0.4 5,-0.4 0.426 85.6 129.3-111.0 -1.3 20.2 24.7 17.3 126 126 X Q T 3< S+ 0 0 133 -4,-0.9 -120,-0.1 -3,-0.4 -3,-0.0 -0.315 82.1 4.1 -60.7 131.2 21.5 26.2 14.0 127 127 X G T 3 S+ 0 0 66 1,-0.1 -1,-0.3 -2,-0.0 -4,-0.0 0.435 98.7 110.1 82.6 -2.4 19.6 29.4 13.1 128 128 X a S < S- 0 0 1 -3,-2.0 -2,-0.1 -123,-0.0 -118,-0.1 0.540 83.8-118.1 -90.4 -5.6 17.5 29.5 16.3 129 129 X G 0 0 72 -4,-0.3 -3,-0.1 -120,-0.0 -4,-0.0 0.759 360.0 360.0 79.0 26.2 19.1 32.5 18.0 130 130 X V 0 0 66 -5,-0.4 -105,-0.1 -117,-0.0 -4,-0.1 0.465 360.0 360.0-112.5 360.0 20.3 30.6 21.1