==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER IMMUNE SYSTEM 18-JUN-10 3NKD . COMPND 2 MOLECULE: CRISPR-ASSOCIATED PROTEIN CAS1; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR B.NOCEK,T.SKARINA,N.BELOGLAZOVA,A.SAVCHENKO,A.JOACHIMIAK,A.Y . 523 5 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23347.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 373 71.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 29 5.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 37 7.1 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 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 24 4.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 49 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 220 42.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 1.9 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 1 0 0 0 4 4 1 4 1 1 1 2 0 0 0 0 0 0 2 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 1 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 PARALLEL BRIDGES PER LADDER . 0 3 2 1 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 2 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 13 A D 0 0 142 0, 0.0 2,-0.4 0, 0.0 37,-0.1 0.000 360.0 360.0 360.0 -84.4 44.7 32.6 14.1 2 14 A R + 0 0 84 1,-0.2 35,-0.1 35,-0.1 34,-0.0 -0.605 360.0 157.1 -68.7 122.5 42.4 33.4 17.1 3 15 A V + 0 0 43 -2,-0.4 245,-0.4 33,-0.3 -1,-0.2 0.553 31.2 110.4-119.1 -19.0 40.3 30.3 17.8 4 16 A S - 0 0 52 32,-0.4 34,-2.7 243,-0.1 35,-1.2 -0.254 42.5-169.4 -62.6 143.9 39.2 30.7 21.5 5 17 A M E -a 39 0A 4 236,-0.2 2,-0.3 33,-0.2 35,-0.2 -0.972 6.4-172.8-128.1 140.9 35.6 31.4 22.3 6 18 A I E -a 40 0A 45 33,-1.7 35,-2.8 -2,-0.4 2,-0.3 -0.950 16.5-134.8-130.9 154.5 34.5 32.4 25.9 7 19 A F E -a 41 0A 28 -2,-0.3 2,-0.4 33,-0.2 35,-0.2 -0.826 15.0-166.2-102.9 153.2 31.1 32.9 27.6 8 20 A L E +a 42 0A 11 33,-2.3 35,-3.2 -2,-0.3 2,-0.3 -0.995 14.3 173.6-136.7 135.8 30.3 35.9 29.9 9 21 A Q + 0 0 65 -2,-0.4 16,-0.2 1,-0.2 36,-0.2 -0.942 48.0 7.1-140.5 158.9 27.2 35.9 32.1 10 22 A Y S S+ 0 0 105 34,-1.8 15,-0.9 -2,-0.3 2,-0.3 0.859 99.9 81.2 38.1 72.9 25.5 38.0 34.8 11 23 A G E S-Hi 24 46B 1 34,-1.5 36,-1.5 13,-0.2 2,-0.4 -0.973 77.4 -89.8 178.0 174.6 27.7 41.0 34.9 12 24 A Q E -Hi 23 47B 59 11,-2.3 11,-2.2 -2,-0.3 2,-0.5 -0.872 29.0-154.8-107.6 137.3 28.8 44.3 33.5 13 25 A I E +Hi 22 48B 2 34,-3.0 36,-1.9 -2,-0.4 2,-0.3 -0.959 34.4 132.0-114.2 130.1 31.3 44.6 30.7 14 26 A D E -H 21 0B 44 7,-1.8 7,-2.4 -2,-0.5 2,-0.6 -0.923 57.6-102.4-164.7 171.6 33.2 47.8 30.5 15 27 A V E +H 20 0B 38 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.986 43.7 173.8-114.6 108.8 36.7 49.5 30.1 16 28 A I E > -H 19 0B 39 3,-2.1 3,-1.7 -2,-0.6 -2,-0.1 -0.992 68.3 -7.7-123.7 121.4 37.6 50.8 33.5 17 29 A D T 3 S- 0 0 152 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.878 131.1 -56.4 63.0 36.6 41.0 52.3 34.1 18 30 A G T 3 S+ 0 0 70 1,-0.2 2,-0.4 -3,-0.1 -1,-0.3 0.230 114.1 111.5 86.6 -13.9 42.1 51.2 30.6 19 31 A A E < -H 16 0B 24 -3,-1.7 -3,-2.1 12,-0.0 2,-0.6 -0.826 67.4-129.6-106.3 138.9 41.2 47.4 31.2 20 32 A F E +H 15 0B 15 -2,-0.4 12,-2.5 -5,-0.2 2,-0.3 -0.750 49.1 167.1 -87.1 113.4 38.4 45.4 29.5 21 33 A V E -HJ 14 31B 0 -7,-2.4 -7,-1.8 -2,-0.6 2,-0.4 -0.884 40.6-136.6-136.8 154.8 36.8 43.8 32.5 22 34 A L E -HJ 13 30B 16 8,-2.5 8,-3.0 -2,-0.3 2,-0.6 -0.957 13.1-160.3-107.6 132.3 33.7 41.8 33.7 23 35 A I E -HJ 12 29B 32 -11,-2.2 -11,-2.3 -2,-0.4 6,-0.2 -0.982 26.9-151.5-111.4 110.7 32.3 42.9 37.1 24 36 A D E > -H 11 0B 39 4,-2.1 3,-1.6 -2,-0.6 -13,-0.2 -0.101 30.5 -84.5 -90.4-177.8 30.3 39.8 38.1 25 37 A K T 3 S+ 0 0 166 -15,-0.9 -14,-0.1 1,-0.3 -1,-0.1 0.636 129.7 48.8 -63.2 -16.2 27.1 39.3 40.2 26 38 A T T 3 S- 0 0 102 2,-0.1 -1,-0.3 0, 0.0 -15,-0.1 0.631 119.7-105.5 -94.2 -24.9 29.3 39.3 43.3 27 39 A G S < S+ 0 0 52 -3,-1.6 2,-0.2 1,-0.3 -2,-0.1 0.413 71.4 141.7 105.6 4.0 31.3 42.5 42.5 28 40 A I - 0 0 98 1,-0.0 -4,-2.1 -5,-0.0 2,-0.5 -0.560 44.2-139.9 -78.9 141.7 34.6 40.8 41.5 29 41 A R E -J 23 0B 125 -2,-0.2 2,-0.4 -6,-0.2 -6,-0.2 -0.908 21.3-176.7-108.1 122.0 36.5 42.3 38.6 30 42 A T E -J 22 0B 54 -8,-3.0 -8,-2.5 -2,-0.5 2,-0.4 -0.959 25.2-125.0-122.7 139.2 38.1 40.0 36.0 31 43 A H E -J 21 0B 135 -2,-0.4 -10,-0.2 -10,-0.2 -12,-0.0 -0.668 21.4-154.4 -78.4 129.2 40.2 41.0 33.0 32 44 A I - 0 0 20 -12,-2.5 2,-2.2 -2,-0.4 -12,-0.2 -0.948 13.5-137.9-110.9 121.0 38.8 39.5 29.8 33 45 A P > + 0 0 75 0, 0.0 3,-2.1 0, 0.0 4,-0.3 -0.437 35.6 168.0 -79.2 69.6 41.5 39.1 27.1 34 46 A V G > + 0 0 11 -2,-2.2 3,-1.3 1,-0.3 -3,-0.0 0.849 69.4 52.0 -60.3 -40.9 39.2 40.4 24.3 35 47 A G G 3 S+ 0 0 27 1,-0.2 -1,-0.3 -3,-0.2 -33,-0.1 0.539 106.4 57.7 -69.4 -10.1 41.9 40.8 21.6 36 48 A S G < S+ 0 0 83 -3,-2.1 -32,-0.4 -34,-0.0 2,-0.3 0.400 98.2 64.3-105.0 -2.0 43.0 37.2 22.1 37 49 A V < - 0 0 5 -3,-1.3 -32,-0.2 -4,-0.3 3,-0.1 -0.842 68.6-140.6-117.2 160.6 39.7 35.4 21.5 38 50 A A S S+ 0 0 11 -34,-2.7 24,-2.2 1,-0.3 2,-0.3 0.720 84.9 13.9 -86.6 -28.3 37.6 35.1 18.2 39 51 A C E -ab 5 62A 0 -35,-1.2 -33,-1.7 22,-0.2 2,-0.5 -0.991 52.1-156.9-154.8 140.1 34.3 35.4 20.0 40 52 A I E -ab 6 63A 1 22,-2.2 24,-1.9 -2,-0.3 2,-0.7 -0.993 19.3-152.9-115.0 123.7 32.7 36.4 23.3 41 53 A M E -ab 7 64A 0 -35,-2.8 -33,-2.3 -2,-0.5 2,-0.7 -0.919 10.9-149.6-101.0 115.4 29.2 34.8 23.8 42 54 A L E -ab 8 65A 1 22,-2.6 24,-2.6 -2,-0.7 -33,-0.2 -0.766 13.3-161.9 -93.0 113.4 27.2 37.1 26.0 43 55 A E > - 0 0 1 -35,-3.2 3,-1.0 -2,-0.7 24,-0.2 -0.248 40.0 -58.0 -88.5 173.7 24.6 35.1 28.1 44 56 A P T 3 S+ 0 0 35 0, 0.0 -34,-1.8 0, 0.0 -1,-0.2 -0.071 119.3 33.8 -55.9 149.9 21.6 36.6 29.9 45 57 A G T 3 S+ 0 0 28 1,-0.3 -34,-1.5 -36,-0.2 2,-0.3 0.600 83.6 134.3 79.3 13.8 22.1 39.3 32.4 46 58 A T E < -i 11 0B 1 -3,-1.0 270,-2.4 -36,-0.2 2,-0.4 -0.666 35.3-167.0 -91.5 144.5 25.1 40.9 30.6 47 59 A R E -iK 12 315B 75 -36,-1.5 -34,-3.0 -2,-0.3 2,-0.4 -0.990 7.1-160.8-128.2 127.7 25.3 44.7 30.1 48 60 A V E -iK 13 314B 2 266,-2.4 266,-2.5 -2,-0.4 -34,-0.2 -0.945 9.9-137.5-117.7 131.3 27.9 46.1 27.7 49 61 A S > - 0 0 11 -36,-1.9 4,-2.1 -2,-0.4 3,-0.4 -0.502 24.8-114.6 -79.8 158.0 29.2 49.6 27.7 50 62 A H H > S+ 0 0 5 262,-0.4 4,-2.0 1,-0.2 5,-0.2 0.891 118.5 52.7 -58.1 -38.3 29.7 51.6 24.5 51 63 A A H > S+ 0 0 45 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.827 106.2 52.1 -71.3 -33.4 33.4 51.6 25.2 52 64 A A H > S+ 0 0 0 -3,-0.4 4,-2.5 -39,-0.3 -2,-0.2 0.944 110.8 47.6 -62.6 -50.8 33.6 47.8 25.6 53 65 A V H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.874 111.2 52.6 -51.6 -44.5 31.8 47.3 22.2 54 66 A R H X S+ 0 0 82 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.918 110.6 45.8 -66.1 -41.6 34.3 49.9 20.7 55 67 A L H X S+ 0 0 42 -4,-1.9 4,-1.7 2,-0.2 -2,-0.2 0.939 112.2 51.2 -67.6 -41.9 37.3 48.0 22.0 56 68 A A H <>S+ 0 0 0 -4,-2.5 5,-2.6 1,-0.2 4,-0.4 0.920 111.9 47.4 -63.1 -41.8 36.0 44.6 20.9 57 69 A A H ><5S+ 0 0 29 -4,-2.5 3,-0.9 1,-0.2 -1,-0.2 0.886 108.3 56.0 -65.3 -41.4 35.3 46.0 17.4 58 70 A Q H 3<5S+ 0 0 143 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.844 111.9 41.5 -55.9 -37.8 38.8 47.5 17.2 59 71 A V T 3<5S- 0 0 49 -4,-1.7 -1,-0.2 -3,-0.1 -2,-0.2 0.399 114.7-117.1 -96.2 2.3 40.5 44.2 17.9 60 72 A G T < 5 + 0 0 61 -3,-0.9 2,-0.4 -4,-0.4 -3,-0.2 0.772 60.4 150.3 74.2 28.0 38.1 42.4 15.6 61 73 A T < - 0 0 2 -5,-2.6 2,-0.3 -6,-0.2 -1,-0.2 -0.797 42.6-126.6 -95.1 135.5 36.4 40.1 18.2 62 74 A L E -b 39 0A 22 -24,-2.2 -22,-2.2 -2,-0.4 2,-0.5 -0.672 13.3-149.6 -80.9 142.5 32.8 39.1 17.5 63 75 A L E -b 40 0A 4 -2,-0.3 14,-3.1 -24,-0.2 2,-0.4 -0.914 16.7-178.0-111.1 128.8 30.1 39.6 20.0 64 76 A V E -bC 41 76A 0 -24,-1.9 -22,-2.6 -2,-0.5 2,-0.5 -0.996 19.3-142.9-122.2 133.8 27.2 37.1 20.0 65 77 A W E +bC 42 75A 0 10,-2.4 9,-3.4 -2,-0.4 10,-1.3 -0.793 34.6 168.0 -99.3 122.1 24.2 37.3 22.3 66 78 A V E - C 0 73A 0 -24,-2.6 7,-0.2 -2,-0.5 3,-0.1 -0.859 35.1-101.6-130.1 165.9 23.0 33.8 23.4 67 79 A G S > S- 0 0 1 5,-2.4 3,-2.2 -2,-0.3 -1,-0.1 -0.180 71.7 -50.0 -70.8 174.0 20.8 31.9 25.7 68 80 A E G > S- 0 0 115 1,-0.3 3,-1.6 2,-0.2 -1,-0.2 -0.265 125.7 -7.6 -51.3 126.8 22.1 30.2 28.8 69 81 A A G 3 S- 0 0 4 1,-0.3 -1,-0.3 -3,-0.1 169,-0.2 0.613 130.5 -59.0 56.9 18.4 25.2 28.0 28.0 70 82 A G G < S+ 0 0 0 -3,-2.2 -1,-0.3 2,-0.2 -2,-0.2 0.609 86.0 148.0 92.4 14.9 24.8 28.6 24.3 71 83 A V S < S- 0 0 29 -3,-1.6 101,-0.4 101,-0.2 2,-0.3 0.807 72.7 -11.0 -52.7 -39.3 21.3 27.2 23.8 72 84 A R - 0 0 125 100,-0.1 -5,-2.4 99,-0.1 2,-0.4 -0.989 64.0-114.4-157.9 163.1 20.6 29.6 21.1 73 85 A V E +C 66 0A 18 -2,-0.3 -7,-0.3 -7,-0.2 3,-0.1 -0.857 24.5 174.3-104.0 128.1 21.8 32.7 19.3 74 86 A Y E - 0 0 34 -9,-3.4 2,-0.3 1,-0.4 -8,-0.2 0.700 67.4 -9.2-105.3 -27.7 19.6 35.8 19.6 75 87 A A E -C 65 0A 0 -10,-1.3 -10,-2.4 269,-0.1 -1,-0.4 -0.978 58.2-154.5-164.6 159.9 21.8 38.4 17.8 76 88 A S E -CD 64 343A 3 267,-2.8 267,-2.1 -2,-0.3 -12,-0.2 -0.995 22.6-110.0-142.0 150.1 25.2 38.8 16.4 77 89 A G E S+ D 0 342A 2 -14,-3.1 265,-0.3 -2,-0.3 4,-0.2 -0.227 95.4 19.1 -66.6 159.2 27.6 41.6 15.7 78 90 A Q S > S- 0 0 41 263,-2.0 3,-2.2 1,-0.1 -1,-0.2 0.920 95.1-133.5 44.8 65.3 28.5 42.7 12.2 79 91 A P T 3 S+ 0 0 3 0, 0.0 -1,-0.1 0, 0.0 265,-0.1 -0.167 81.9 18.6 -64.2 143.4 25.5 41.1 10.8 80 92 A G T 3 S- 0 0 16 264,-0.2 267,-0.1 -3,-0.1 -2,-0.1 0.200 132.3 -63.0 82.2 -13.5 25.9 38.9 7.6 81 93 A G < - 0 0 17 -3,-2.2 369,-0.3 -4,-0.2 -3,-0.1 0.093 36.7-119.1 112.0 140.5 29.6 38.7 8.4 82 94 A A S S+ 0 0 40 1,-0.2 2,-0.6 -5,-0.1 -1,-0.1 0.817 93.6 59.3 -78.0 -30.6 32.5 41.2 8.7 83 95 A R > - 0 0 117 99,-0.2 4,-1.9 1,-0.1 -1,-0.2 -0.884 53.5-167.5-115.5 118.1 34.6 39.7 5.9 84 96 A S H > S+ 0 0 22 -2,-0.6 4,-2.7 366,-0.3 5,-0.2 0.796 89.8 62.5 -64.0 -31.6 33.7 39.2 2.2 85 97 A D H > S+ 0 0 67 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.946 107.8 43.2 -64.2 -41.1 36.7 36.9 1.5 86 98 A K H > S+ 0 0 32 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.946 116.1 47.7 -62.3 -47.5 35.4 34.3 4.1 87 99 A L H X S+ 0 0 9 -4,-1.9 4,-2.0 1,-0.2 -2,-0.2 0.916 113.9 46.5 -69.5 -34.4 31.8 34.6 2.8 88 100 A L H X S+ 0 0 31 -4,-2.7 4,-2.0 2,-0.2 -1,-0.2 0.753 109.6 55.2 -78.0 -24.7 32.8 34.3 -0.9 89 101 A Y H X S+ 0 0 12 -4,-1.7 4,-2.0 -5,-0.2 5,-0.2 0.957 110.0 45.6 -67.6 -53.2 35.1 31.3 -0.1 90 102 A Q H X S+ 0 0 0 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.927 114.8 48.3 -52.9 -46.5 32.2 29.5 1.5 91 103 A A H X S+ 0 0 0 -4,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.891 107.9 53.8 -68.0 -39.0 29.9 30.4 -1.4 92 104 A K H X S+ 0 0 101 -4,-2.0 4,-1.4 1,-0.2 -1,-0.2 0.928 112.0 45.7 -57.4 -44.4 32.4 29.4 -4.1 93 105 A L H < S+ 0 0 0 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.854 113.8 48.4 -71.2 -36.9 32.7 26.0 -2.4 94 106 A A H < S+ 0 0 15 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.791 111.2 50.1 -72.1 -29.6 29.0 25.6 -2.0 95 107 A L H < S+ 0 0 77 -4,-2.0 2,-0.6 -5,-0.2 -2,-0.2 0.746 94.7 75.1 -84.4 -30.9 28.1 26.5 -5.6 96 108 A D S X S- 0 0 68 -4,-1.4 4,-3.2 -5,-0.2 5,-0.2 -0.799 70.2-150.4 -86.6 119.2 30.5 24.2 -7.5 97 109 A E H > S+ 0 0 116 -2,-0.6 4,-2.3 1,-0.2 5,-0.2 0.855 96.4 52.2 -59.9 -35.7 29.3 20.6 -7.4 98 110 A D H > S+ 0 0 121 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.942 114.4 41.9 -66.4 -46.9 32.8 19.2 -7.6 99 111 A L H > S+ 0 0 20 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.891 111.3 56.1 -65.6 -43.4 34.0 21.3 -4.6 100 112 A R H X S+ 0 0 45 -4,-3.2 4,-2.4 1,-0.2 5,-0.2 0.951 107.1 48.7 -54.2 -49.0 30.8 20.7 -2.7 101 113 A L H X S+ 0 0 56 -4,-2.3 4,-2.9 1,-0.2 -1,-0.2 0.878 109.3 53.1 -61.1 -37.5 31.2 16.9 -2.9 102 114 A K H X S+ 0 0 85 -4,-1.6 4,-1.6 1,-0.2 -1,-0.2 0.915 109.3 48.6 -63.9 -39.9 34.8 17.1 -1.7 103 115 A V H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.917 112.1 49.4 -62.1 -42.5 33.7 19.1 1.3 104 116 A V H X S+ 0 0 5 -4,-2.4 4,-2.6 1,-0.3 -2,-0.2 0.935 107.5 53.3 -69.4 -41.0 31.0 16.6 2.1 105 117 A R H X S+ 0 0 67 -4,-2.9 4,-2.2 2,-0.2 11,-0.3 0.877 108.8 50.9 -58.2 -34.0 33.4 13.7 1.8 106 118 A K H X S+ 0 0 46 -4,-1.6 4,-2.0 2,-0.2 -2,-0.2 0.905 106.7 54.2 -70.5 -39.6 35.6 15.5 4.3 107 119 A M H X S+ 0 0 11 -4,-2.4 4,-1.7 1,-0.2 -2,-0.2 0.910 108.6 49.8 -53.9 -47.1 32.6 15.8 6.6 108 120 A F H X S+ 0 0 11 -4,-2.6 4,-2.5 1,-0.2 6,-0.3 0.932 109.6 49.8 -57.0 -51.5 32.2 12.1 6.3 109 121 A E H X S+ 0 0 77 -4,-2.2 4,-1.6 1,-0.2 -1,-0.2 0.819 110.7 49.0 -59.9 -36.2 35.8 11.3 7.2 110 122 A L H < S+ 0 0 38 -4,-2.0 -1,-0.2 2,-0.2 -2,-0.2 0.853 114.2 47.5 -73.8 -31.5 35.7 13.6 10.2 111 123 A R H < S+ 0 0 13 -4,-1.7 -2,-0.2 -5,-0.2 -1,-0.2 0.871 126.3 24.7 -72.4 -40.6 32.5 12.0 11.4 112 124 A F H < S- 0 0 33 -4,-2.5 -2,-0.2 2,-0.2 -3,-0.2 0.408 95.2-122.5-111.1 -2.9 33.6 8.3 10.9 113 125 A G S < S+ 0 0 68 -4,-1.6 -4,-0.1 -5,-0.2 -3,-0.1 0.610 86.3 66.5 71.4 12.3 37.4 8.3 11.1 114 126 A E S S- 0 0 101 -6,-0.3 -2,-0.2 -5,-0.1 -1,-0.1 -0.984 92.3 -83.2-158.7 152.7 37.8 6.8 7.6 115 127 A P - 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0 0 73 -4,-1.1 4,-3.1 -5,-0.2 5,-0.2 -0.813 69.3-149.2 -98.5 124.7 31.8 36.5 -11.7 363 109 B E H > S+ 0 0 159 -2,-0.6 4,-2.2 1,-0.2 -1,-0.1 0.885 96.6 44.6 -61.4 -41.2 33.7 39.3 -13.5 364 110 B D H > S+ 0 0 112 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.867 116.0 47.0 -72.8 -35.0 31.1 39.8 -16.3 365 111 B L H > S+ 0 0 19 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.898 110.4 53.4 -70.4 -38.3 28.2 39.6 -13.9 366 112 B R H X S+ 0 0 71 -4,-3.1 4,-2.9 1,-0.2 3,-0.3 0.951 107.2 51.8 -61.0 -45.4 29.9 42.1 -11.6 367 113 B L H X S+ 0 0 48 -4,-2.2 4,-2.4 1,-0.3 5,-0.2 0.871 106.8 53.2 -60.5 -46.3 30.4 44.5 -14.4 368 114 B K H X S+ 0 0 75 -4,-1.7 4,-1.4 2,-0.2 -1,-0.3 0.877 110.3 47.2 -53.9 -46.1 26.8 44.4 -15.3 369 115 B V H X S+ 0 0 0 -4,-1.8 4,-2.4 -3,-0.3 -2,-0.2 0.943 113.2 48.9 -60.4 -48.3 25.8 45.3 -11.7 370 116 B V H X S+ 0 0 4 -4,-2.9 4,-2.2 1,-0.2 -2,-0.2 0.855 107.8 52.9 -61.7 -36.7 28.2 48.0 -11.6 371 117 B R H X S+ 0 0 71 -4,-2.4 4,-2.1 1,-0.2 11,-0.3 0.855 110.4 49.4 -67.5 -32.3 27.1 49.6 -14.9 372 118 B K H X S+ 0 0 69 -4,-1.4 4,-2.5 -5,-0.2 5,-0.2 0.926 108.3 51.7 -74.1 -40.0 23.6 49.6 -13.6 373 119 B M H X S+ 0 0 7 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.903 111.8 49.3 -57.0 -46.1 24.7 51.3 -10.3 374 120 B F H X S+ 0 0 6 -4,-2.2 4,-2.7 2,-0.2 6,-0.4 0.911 109.9 49.7 -57.2 -52.7 26.5 54.0 -12.5 375 121 B E H X S+ 0 0 70 -4,-2.1 4,-1.8 1,-0.2 5,-0.4 0.899 113.3 45.5 -58.1 -42.2 23.5 54.6 -14.7 376 122 B L H < S+ 0 0 70 -4,-2.5 -1,-0.2 2,-0.2 -2,-0.2 0.885 114.1 50.3 -72.5 -34.3 21.2 55.0 -11.7 377 123 B R H < S+ 0 0 32 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.922 125.5 24.9 -64.3 -44.7 23.8 57.3 -9.9 378 124 B F H < S- 0 0 51 -4,-2.7 -2,-0.2 2,-0.3 -3,-0.2 0.496 98.7-124.9-105.2 -3.0 24.3 59.6 -12.9 379 125 B G S < S+ 0 0 69 -4,-1.8 -3,-0.2 -5,-0.3 -4,-0.1 0.671 86.3 78.9 65.3 18.3 21.0 59.1 -14.7 380 126 B E S S- 0 0 109 -5,-0.4 -2,-0.3 -6,-0.4 -1,-0.1 -0.985 88.0 -98.9-153.5 142.7 23.0 58.2 -17.9 381 127 B P - 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0 0 43 -5,-0.3 -1,-0.3 -4,-0.1 -2,-0.1 -0.797 67.9-105.8 -92.7 135.6 20.5 36.0 -13.4 525 278 B Q - 0 0 177 -2,-0.4 -1,-0.0 -3,-0.1 -5,-0.0 -0.425 41.9-130.3 -61.1 120.5 17.0 34.8 -12.5 526 279 B P 0 0 63 0, 0.0 -174,-0.1 0, 0.0 -1,-0.1 -0.301 360.0 360.0 -68.5 161.1 16.5 36.0 -8.9 527 280 B P 0 0 65 0, 0.0 -175,-0.0 0, 0.0 0, 0.0 -0.464 360.0 360.0 -56.4 360.0 15.2 33.7 -6.2