==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-JUN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 16-MAY-11 3S1Y . COMPND 2 MOLECULE: BETA-LACTAMASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR G.SCAPIN,J.LU,P.M.D.FITZGERALD,N.SHARMA . 361 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13915.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 261 72.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 1.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 66 18.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 1.1 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 . 16 4.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 43 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 104 28.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 2.5 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 3 0 2 0 1 1 0 1 0 2 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 3 2 3 2 0 2 1 1 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 . 1 1 1 0 0 0 0 1 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 29 A A > 0 0 77 0, 0.0 4,-3.9 0, 0.0 5,-0.3 0.000 360.0 360.0 360.0 -43.6 -6.2 -10.8 -10.6 2 30 A P H > + 0 0 86 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.909 360.0 41.9 -57.8 -46.1 -5.0 -11.0 -7.0 3 31 A A H > S+ 0 0 73 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.890 117.7 48.7 -66.1 -40.5 -1.9 -8.8 -7.6 4 32 A D H > S+ 0 0 116 2,-0.2 4,-3.3 1,-0.2 5,-0.2 0.928 112.4 47.4 -62.3 -48.5 -4.1 -6.5 -9.7 5 33 A R H X S+ 0 0 157 -4,-3.9 4,-3.1 2,-0.2 -2,-0.2 0.915 113.5 48.4 -60.5 -45.0 -6.8 -6.3 -7.1 6 34 A L H X S+ 0 0 9 -4,-2.5 4,-3.3 -5,-0.3 5,-0.3 0.939 113.8 45.8 -63.5 -46.7 -4.3 -5.6 -4.4 7 35 A K H X S+ 0 0 102 -4,-2.7 4,-3.4 2,-0.2 5,-0.3 0.949 114.7 48.3 -58.1 -48.7 -2.6 -2.9 -6.5 8 36 A A H X S+ 0 0 57 -4,-3.3 4,-2.7 1,-0.2 -2,-0.2 0.912 114.5 46.9 -57.6 -44.2 -6.0 -1.5 -7.3 9 37 A L H X S+ 0 0 36 -4,-3.1 4,-2.1 2,-0.2 -2,-0.2 0.943 115.7 42.7 -63.8 -51.9 -7.0 -1.6 -3.7 10 38 A V H X S+ 0 0 0 -4,-3.3 4,-3.4 2,-0.2 5,-0.3 0.936 116.0 49.0 -64.8 -45.3 -3.8 -0.1 -2.3 11 39 A D H X S+ 0 0 20 -4,-3.4 4,-2.5 -5,-0.3 -1,-0.2 0.931 112.3 49.1 -54.7 -48.0 -3.7 2.6 -5.1 12 40 A A H < S+ 0 0 66 -4,-2.7 -1,-0.2 -5,-0.3 -2,-0.2 0.825 117.2 41.8 -63.6 -33.6 -7.4 3.4 -4.4 13 41 A A H X S+ 0 0 7 -4,-2.1 4,-0.6 -5,-0.2 -2,-0.2 0.895 125.0 33.6 -77.0 -42.7 -6.6 3.6 -0.7 14 42 A V H X S+ 0 0 0 -4,-3.4 4,-3.0 -5,-0.2 3,-0.3 0.945 107.1 59.4 -84.0 -53.9 -3.3 5.5 -1.0 15 43 A Q H X S+ 0 0 92 -4,-2.5 4,-2.7 -5,-0.3 5,-0.2 0.858 106.6 45.8 -56.1 -45.8 -3.5 7.8 -4.0 16 44 A P H > S+ 0 0 71 0, 0.0 4,-3.0 0, 0.0 -1,-0.3 0.901 115.0 48.7 -65.3 -35.8 -6.5 9.9 -2.9 17 45 A V H X S+ 0 0 6 -4,-0.6 4,-1.8 -3,-0.3 -2,-0.2 0.900 111.6 49.9 -69.3 -37.5 -5.0 10.3 0.6 18 46 A M H <>S+ 0 0 17 -4,-3.0 5,-2.9 2,-0.2 -1,-0.2 0.929 114.9 43.3 -61.9 -45.6 -1.7 11.3 -0.9 19 47 A K H ><5S+ 0 0 102 -4,-2.7 3,-1.2 -5,-0.2 -2,-0.2 0.930 114.3 50.5 -64.6 -44.7 -3.3 13.8 -3.1 20 48 A A H 3<5S+ 0 0 76 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.789 120.6 35.1 -66.3 -27.9 -5.5 15.1 -0.3 21 49 A N T 3<5S- 0 0 25 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.235 106.4-123.1-111.6 14.5 -2.6 15.4 2.0 22 50 A D T < 5 + 0 0 84 -3,-1.2 -3,-0.2 1,-0.2 -4,-0.1 0.883 43.9 179.1 42.6 48.0 -0.1 16.5 -0.6 23 51 A I < - 0 0 8 -5,-2.9 -1,-0.2 -6,-0.2 3,-0.1 -0.699 19.1-160.5 -80.2 117.0 2.1 13.6 0.4 24 52 A P S S+ 0 0 14 0, 0.0 19,-2.7 0, 0.0 2,-0.4 0.941 73.1 9.1 -64.7 -44.0 5.1 13.7 -1.8 25 53 A G E +A 42 0A 0 17,-0.3 315,-2.1 19,-0.1 2,-0.4 -0.992 63.1 176.3-142.8 143.3 6.1 10.0 -1.2 26 54 A L E -AB 41 339A 0 15,-2.8 15,-2.9 -2,-0.4 2,-0.5 -0.979 10.9-160.4-151.3 131.1 4.4 7.1 0.5 27 55 A A E -AB 40 338A 0 311,-3.1 311,-3.1 -2,-0.4 2,-0.4 -0.959 6.7-168.0-114.9 128.9 5.4 3.6 0.8 28 56 A V E -AB 39 337A 0 11,-3.7 11,-3.0 -2,-0.5 2,-0.4 -0.945 4.3-177.1-110.1 136.3 3.0 0.9 1.7 29 57 A A E -AB 38 336A 0 307,-2.1 307,-2.9 -2,-0.4 2,-0.4 -0.998 5.9-170.9-127.8 133.2 4.1 -2.6 2.7 30 58 A I E -AB 37 335A 1 7,-3.2 7,-2.2 -2,-0.4 2,-0.7 -0.989 15.6-152.9-124.5 130.1 1.5 -5.2 3.3 31 59 A S E +AB 36 334A 0 303,-3.2 303,-2.3 -2,-0.4 2,-0.4 -0.929 30.1 168.0 -98.3 116.8 2.1 -8.6 4.8 32 60 A L E > -A 35 0A 36 3,-2.9 3,-1.9 -2,-0.7 301,-0.1 -0.998 61.8 -15.1-137.7 127.4 -0.6 -10.7 3.4 33 61 A K T 3 S- 0 0 180 299,-0.5 -1,-0.1 -2,-0.4 300,-0.1 0.846 129.5 -50.2 46.0 44.3 -0.9 -14.5 3.6 34 62 A G T 3 S+ 0 0 45 298,-0.6 -1,-0.3 1,-0.2 299,-0.1 0.582 119.4 105.5 77.6 12.8 2.8 -14.8 4.5 35 63 A E E < -A 32 0A 112 -3,-1.9 -3,-2.9 2,-0.0 2,-0.3 -0.969 65.9-129.5-127.8 138.1 4.0 -12.5 1.7 36 64 A P E -A 31 0A 65 0, 0.0 2,-0.4 0, 0.0 -5,-0.2 -0.649 21.6-168.7 -82.0 142.9 5.2 -9.0 1.6 37 65 A H E -A 30 0A 42 -7,-2.2 -7,-3.2 -2,-0.3 2,-0.4 -0.997 4.7-160.7-132.6 126.5 3.6 -6.6 -0.9 38 66 A Y E -A 29 0A 72 -2,-0.4 2,-0.4 -9,-0.2 -9,-0.2 -0.902 12.2-179.5-115.0 138.0 5.1 -3.3 -1.6 39 67 A F E -A 28 0A 28 -11,-3.0 -11,-3.7 -2,-0.4 2,-0.4 -0.980 10.8-168.4-136.3 118.4 3.5 -0.3 -3.1 40 68 A S E -A 27 0A 41 -2,-0.4 2,-0.4 -13,-0.2 -13,-0.2 -0.918 4.0-170.5-116.8 135.5 5.5 2.7 -3.5 41 69 A Y E -A 26 0A 17 -15,-2.9 -15,-2.8 -2,-0.4 11,-0.1 -0.979 39.1 -32.1-132.2 136.8 4.2 6.1 -4.4 42 70 A G E S-A 25 0A 18 -2,-0.4 10,-2.7 -17,-0.2 2,-0.4 -0.116 90.6 -17.7 65.6-148.5 5.6 9.4 -5.4 43 71 A L B -I 51 0B 43 -19,-2.7 8,-0.3 8,-0.3 3,-0.2 -0.816 22.9-164.2-115.6 129.7 8.8 10.9 -4.4 44 72 A A S S+ 0 0 1 6,-2.5 156,-3.0 -2,-0.4 2,-0.4 0.847 102.4 17.8 -67.3 -37.5 11.2 10.3 -1.5 45 73 A S > - 0 0 4 5,-1.7 4,-1.0 154,-0.2 -1,-0.3 -0.974 64.1-161.8-137.6 122.4 12.5 13.7 -2.5 46 74 A K T 4 S+ 0 0 79 -2,-0.4 -1,-0.1 -3,-0.2 -2,-0.1 0.793 94.2 52.4 -64.8 -29.0 10.6 16.2 -4.6 47 75 A E T 4 S+ 0 0 122 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.0 0.921 118.9 27.6 -81.0 -48.6 13.8 18.0 -5.3 48 76 A D T 4 S- 0 0 92 2,-0.1 -1,-0.2 3,-0.0 -2,-0.2 0.482 102.9-125.4 -93.5 -3.7 16.1 15.3 -6.6 49 77 A G < + 0 0 37 -4,-1.0 2,-0.2 1,-0.3 -3,-0.1 0.558 47.6 165.4 74.9 8.9 13.2 13.2 -7.9 50 78 A R - 0 0 65 -5,-0.2 -6,-2.5 -7,-0.1 -5,-1.7 -0.413 32.4-133.3 -57.3 123.6 14.2 10.1 -6.0 51 79 A R B -I 43 0B 158 -8,-0.3 -8,-0.3 -7,-0.2 2,-0.2 -0.513 19.1-104.9 -78.9 149.1 11.1 7.9 -6.1 52 80 A V + 0 0 6 -10,-2.7 -12,-0.1 -2,-0.2 -1,-0.1 -0.551 45.8 175.2 -66.7 136.0 9.8 6.1 -3.0 53 81 A T > - 0 0 44 -2,-0.2 3,-1.5 144,-0.2 174,-0.4 -0.850 50.6 -96.5-130.8 173.1 10.7 2.5 -3.0 54 82 A P T 3 S+ 0 0 22 0, 0.0 174,-2.7 0, 0.0 175,-0.4 0.625 127.7 53.3 -64.9 -9.9 10.2 -0.2 -0.4 55 83 A E T 3 S+ 0 0 69 171,-0.2 2,-0.1 172,-0.2 -3,-0.0 0.454 79.0 118.9-102.9 -6.1 13.8 0.5 0.6 56 84 A T < - 0 0 2 -3,-1.5 171,-0.5 1,-0.1 2,-0.5 -0.415 66.3-126.7 -60.8 130.9 13.3 4.3 1.0 57 85 A L E -jK 198 226C 3 140,-3.0 142,-3.0 137,-0.2 2,-0.4 -0.718 31.3-178.0 -83.9 127.2 14.0 5.2 4.6 58 86 A F E - K 0 225C 0 167,-3.3 167,-2.7 -2,-0.5 2,-0.4 -0.920 33.3-113.3-117.5 149.5 11.3 7.2 6.3 59 87 A E E - K 0 224C 1 -2,-0.4 165,-0.2 165,-0.2 280,-0.2 -0.693 26.8-169.7 -73.3 131.2 11.2 8.6 9.7 60 88 A I > - 0 0 0 163,-2.4 3,-2.4 -2,-0.4 263,-0.2 0.422 14.8-169.1-105.8 0.8 8.6 6.6 11.5 61 89 A G G > S+ 0 0 0 162,-0.5 3,-3.0 160,-0.5 162,-0.4 -0.181 71.1 8.9 50.6-132.1 8.5 8.9 14.5 62 90 A S G > S+ 0 0 11 255,-0.4 3,-1.8 1,-0.3 -1,-0.3 0.566 112.7 79.6 -60.8 -11.2 6.6 7.3 17.4 63 91 A V G X> S+ 0 0 0 -3,-2.4 3,-2.2 1,-0.3 4,-0.7 0.820 80.2 74.3 -62.3 -24.1 6.3 4.0 15.6 64 92 A S H X> S+ 0 0 0 -3,-3.0 4,-2.7 1,-0.3 3,-0.8 0.787 78.2 74.1 -52.8 -29.2 9.8 3.8 16.9 65 93 A K H <> S+ 0 0 0 -3,-1.8 4,-2.8 155,-0.5 -1,-0.3 0.746 88.0 58.7 -61.1 -23.7 8.2 3.2 20.3 66 94 A T H <> S+ 0 0 0 -3,-2.2 4,-1.3 -4,-0.3 -1,-0.3 0.838 108.4 45.0 -75.7 -30.7 7.3 -0.3 19.1 67 95 A F H S+ 0 0 0 -4,-2.9 5,-2.8 1,-0.2 6,-0.9 0.913 115.3 48.3 -54.2 -44.7 15.0 -6.4 29.0 76 104 A L H ><5S+ 0 0 21 -4,-3.4 3,-1.4 1,-0.2 -2,-0.2 0.920 114.0 42.8 -63.4 -48.8 11.8 -7.6 30.6 77 105 A T H 3<5S+ 0 0 35 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.625 109.8 58.5 -80.7 -12.3 12.0 -11.2 29.4 78 106 A Q T 3<5S- 0 0 73 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.317 114.2-122.0 -86.9 2.5 15.7 -11.2 30.1 79 107 A D T < 5S+ 0 0 144 -3,-1.4 -3,-0.2 2,-0.2 -2,-0.1 0.764 79.1 124.9 59.6 29.3 14.7 -10.4 33.7 80 108 A K S - 0 0 95 -2,-0.3 3,-1.8 -3,-0.1 22,-0.4 -0.943 25.8-122.4-125.6 151.3 10.1 -5.8 35.6 83 111 A L T 3 S+ 0 0 28 -2,-0.3 22,-3.1 1,-0.3 21,-0.5 0.822 114.3 53.2 -63.1 -30.0 7.2 -3.7 34.5 84 112 A D T 3 S+ 0 0 108 20,-0.2 -1,-0.3 19,-0.2 2,-0.1 0.390 83.1 117.4 -88.0 4.1 6.3 -3.0 38.1 85 113 A D S < S- 0 0 17 -3,-1.8 19,-2.2 1,-0.1 20,-0.3 -0.439 75.8-111.2 -62.0 142.9 9.8 -1.9 38.9 86 114 A R B > -M 103 0D 131 17,-0.2 3,-1.8 1,-0.1 4,-0.4 -0.576 25.3-121.2 -73.3 143.1 10.0 1.7 40.0 87 115 A A G > S+ 0 0 0 15,-3.6 3,-1.9 12,-0.5 4,-0.2 0.878 110.6 59.7 -54.4 -41.8 11.6 3.8 37.3 88 116 A S G > S+ 0 0 10 11,-2.0 3,-0.9 1,-0.3 7,-0.3 0.638 86.7 76.0 -66.4 -15.9 14.3 5.0 39.7 89 117 A Q G < S+ 0 0 116 -3,-1.8 -1,-0.3 10,-0.3 -2,-0.2 0.785 101.9 42.0 -61.6 -25.9 15.4 1.4 40.3 90 118 A H G < S+ 0 0 16 -3,-1.9 -1,-0.2 -4,-0.4 -2,-0.2 0.350 119.9 39.3-108.2 5.1 17.1 1.6 36.8 91 119 A W X - 0 0 16 -3,-0.9 3,-2.5 -4,-0.2 4,-0.4 -0.742 61.3-159.9-156.3 101.8 18.6 5.0 37.0 92 120 A P G > S+ 0 0 77 0, 0.0 3,-1.9 0, 0.0 -1,-0.1 0.820 92.3 68.8 -51.6 -34.6 20.2 6.2 40.2 93 121 A A G 3 S+ 0 0 16 1,-0.3 -5,-0.1 -3,-0.1 -3,-0.0 0.771 99.5 50.9 -54.5 -27.7 19.8 9.8 39.0 94 122 A L G X S+ 0 0 0 -3,-2.5 3,-2.1 -6,-0.2 5,-0.3 0.541 81.3 113.2 -90.3 -10.6 16.1 9.3 39.4 95 123 A Q T < S+ 0 0 127 -3,-1.9 3,-0.1 -4,-0.4 -6,-0.0 -0.443 82.2 24.7 -63.4 134.9 16.3 8.0 43.0 96 124 A G T 3 S+ 0 0 71 1,-0.4 -1,-0.3 -2,-0.1 2,-0.1 0.183 106.5 102.7 92.9 -16.4 14.7 10.6 45.3 97 125 A S S X S- 0 0 14 -3,-2.1 3,-2.0 1,-0.1 -1,-0.4 -0.337 96.9 -91.7 -87.8 177.5 12.6 11.9 42.4 98 126 A R G > S+ 0 0 122 39,-0.5 3,-2.0 37,-0.4 -11,-0.1 0.655 117.2 80.9 -64.5 -13.3 8.9 11.1 41.7 99 127 A F G > S+ 0 0 0 -5,-0.3 -11,-2.0 1,-0.3 3,-0.5 0.515 72.8 75.5 -75.2 -2.9 10.1 8.2 39.6 100 128 A D G < S+ 0 0 64 -3,-2.0 -1,-0.3 -6,-0.2 -2,-0.2 0.724 103.9 39.3 -65.9 -25.7 10.5 6.3 42.9 101 129 A G G < S+ 0 0 34 -3,-2.0 2,-0.5 -4,-0.2 -2,-0.2 0.143 101.2 87.1-113.3 16.1 6.8 6.1 42.7 102 130 A I < - 0 0 0 -3,-0.5 -15,-3.6 42,-0.0 -14,-0.3 -0.975 68.0-140.9-123.0 125.9 6.4 5.5 39.0 103 131 A S B > -M 86 0D 16 -2,-0.5 4,-2.0 -17,-0.3 -17,-0.2 -0.393 23.0-117.4 -81.5 161.7 6.6 2.0 37.5 104 132 A L H > S+ 0 0 0 -19,-2.2 4,-3.3 -21,-0.5 5,-0.2 0.896 119.8 56.2 -60.1 -39.2 8.3 1.1 34.3 105 133 A L H > S+ 0 0 36 -22,-3.1 4,-2.5 -20,-0.3 6,-0.3 0.915 103.7 52.8 -59.1 -44.3 4.8 0.0 33.1 106 134 A D H 4>S+ 0 0 16 -23,-0.3 5,-2.7 1,-0.2 6,-0.8 0.925 113.2 44.2 -55.3 -47.1 3.5 3.5 33.9 107 135 A L H ><5S+ 0 0 0 -4,-2.0 3,-1.3 4,-0.2 -2,-0.2 0.948 113.5 50.3 -62.2 -49.1 6.3 4.9 31.8 108 136 A A H 3<5S+ 0 0 0 -4,-3.3 161,-0.5 1,-0.3 -1,-0.2 0.843 119.3 36.4 -56.9 -38.4 5.8 2.4 29.0 109 137 A T T 3<5S- 0 0 1 -4,-2.5 -1,-0.3 -5,-0.2 -2,-0.2 0.103 111.4-111.6-114.2 20.3 2.1 3.0 28.8 110 138 A Y T < 5S+ 0 0 2 -3,-1.3 38,-3.2 -4,-0.2 4,-0.3 0.734 85.0 116.1 64.6 27.3 2.1 6.8 29.4 111 139 A T < + 0 0 3 -5,-2.7 33,-4.1 -6,-0.3 34,-0.5 0.132 29.4 114.0-111.8 20.1 0.4 6.5 32.8 112 140 A A S S- 0 0 1 -6,-0.8 -1,-0.1 31,-0.3 -5,-0.1 0.711 100.7 -83.8 -65.1 -19.8 3.3 7.9 34.9 113 141 A G S S- 0 0 0 33,-0.5 27,-3.9 -3,-0.2 28,-0.7 0.731 89.1 -29.9 119.9 41.2 1.0 10.9 35.7 114 142 A G + 0 0 8 32,-0.4 24,-0.1 -4,-0.3 3,-0.1 0.681 66.7 169.7 101.6 20.1 1.1 13.5 33.0 115 143 A L - 0 0 2 33,-0.1 -1,-0.3 1,-0.1 -2,-0.1 -0.474 46.1-109.7 -54.2 131.6 4.5 13.3 31.4 116 144 A P - 0 0 42 0, 0.0 37,-0.4 0, 0.0 35,-0.2 -0.139 19.7-101.9 -73.9 167.9 3.9 15.5 28.4 117 145 A L S S+ 0 0 53 33,-0.2 34,-3.4 34,-0.1 2,-0.3 0.901 104.3 10.1 -50.1 -48.2 3.7 14.5 24.7 118 146 A Q S S- 0 0 121 32,-0.2 3,-0.1 33,-0.2 -1,-0.1 -0.895 89.5 -93.0-129.1 158.2 7.2 15.8 24.1 119 147 A F - 0 0 18 -2,-0.3 11,-0.0 96,-0.2 -2,-0.0 -0.471 59.9 -94.7 -56.9 141.7 10.1 16.9 26.1 120 148 A P > - 0 0 47 0, 0.0 3,-2.1 0, 0.0 -1,-0.1 -0.341 35.3-111.9 -56.4 148.9 9.9 20.7 26.4 121 149 A D T 3 S+ 0 0 162 1,-0.3 -2,-0.1 -3,-0.1 0, 0.0 0.746 116.5 68.8 -58.3 -23.0 12.0 22.3 23.7 122 150 A S T 3 S+ 0 0 83 2,-0.1 2,-0.8 1,-0.1 -1,-0.3 0.769 81.6 83.7 -65.7 -28.7 14.3 23.5 26.5 123 151 A V S < S- 0 0 13 -3,-2.1 2,-0.1 92,-0.0 -4,-0.1 -0.705 71.0-165.1 -81.7 109.5 15.4 19.9 27.1 124 152 A Q - 0 0 123 -2,-0.8 2,-2.2 90,-0.1 6,-0.1 -0.334 41.8 -80.8 -85.2 171.1 18.1 19.2 24.6 125 153 A K S S+ 0 0 91 88,-0.2 2,-0.3 90,-0.1 -1,-0.1 -0.561 89.1 127.2 -71.9 83.2 19.5 15.8 23.6 126 154 A D > - 0 0 65 -2,-2.2 4,-2.8 1,-0.1 5,-0.2 -0.965 62.9-140.6-151.7 124.3 21.6 15.8 26.7 127 155 A Q H > S+ 0 0 106 -2,-0.3 4,-3.0 1,-0.2 5,-0.1 0.889 106.3 47.6 -51.9 -47.4 21.9 13.1 29.4 128 156 A A H > S+ 0 0 28 2,-0.2 4,-3.4 1,-0.2 -1,-0.2 0.896 112.6 47.5 -64.0 -44.1 22.1 15.7 32.1 129 157 A Q H > S+ 0 0 52 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.890 114.2 47.1 -66.1 -39.9 19.2 17.8 30.8 130 158 A I H X S+ 0 0 2 -4,-2.8 4,-2.4 2,-0.2 5,-0.2 0.938 113.7 49.1 -63.7 -48.3 17.1 14.6 30.5 131 159 A R H X S+ 0 0 74 -4,-3.0 4,-2.7 -5,-0.2 -2,-0.2 0.946 114.1 45.3 -51.1 -54.2 18.2 13.6 34.0 132 160 A D H X S+ 0 0 70 -4,-3.4 4,-2.0 1,-0.2 -2,-0.2 0.873 109.5 56.4 -62.4 -39.4 17.3 17.1 35.3 133 161 A Y H X S+ 0 0 27 -4,-2.7 4,-1.0 1,-0.2 -1,-0.2 0.939 113.0 38.9 -57.8 -51.3 14.0 17.0 33.5 134 162 A Y H < S+ 0 0 0 -4,-2.4 3,-0.4 1,-0.2 -36,-0.3 0.902 111.9 57.5 -68.1 -41.3 12.8 13.8 35.1 135 163 A R H < S+ 0 0 119 -4,-2.7 -37,-0.4 1,-0.2 -1,-0.2 0.878 114.9 37.5 -54.7 -41.2 14.3 14.7 38.5 136 164 A Q H < S+ 0 0 89 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.590 93.4 109.4 -91.8 -10.4 12.2 17.9 38.6 137 165 A W < - 0 0 22 -4,-1.0 -39,-0.5 -3,-0.4 -38,-0.1 -0.431 49.2-165.7 -71.0 137.9 9.1 16.4 36.9 138 166 A Q - 0 0 135 -2,-0.1 -2,-0.1 -24,-0.1 -25,-0.0 -0.980 26.4-107.1-123.3 136.1 6.1 15.9 39.1 139 167 A P - 0 0 17 0, 0.0 -25,-0.2 0, 0.0 -26,-0.1 -0.322 14.4-150.6 -58.4 140.5 3.0 13.9 38.3 140 168 A T S S+ 0 0 103 -27,-3.9 2,-0.3 1,-0.2 -26,-0.2 0.724 83.6 0.7 -79.3 -27.5 -0.1 15.9 37.5 141 169 A Y S S- 0 0 45 -28,-0.7 -1,-0.2 5,-0.1 3,-0.1 -0.925 108.0 -50.4-152.4 172.6 -2.2 13.0 38.8 142 170 A A >> - 0 0 61 -2,-0.3 3,-1.5 1,-0.1 4,-0.6 -0.186 60.8-111.3 -53.0 127.7 -1.6 9.6 40.3 143 171 A P T 34 S+ 0 0 40 0, 0.0 -31,-0.3 0, 0.0 -1,-0.1 -0.373 105.0 28.7 -52.5 139.5 0.7 7.4 38.4 144 172 A G T 34 S+ 0 0 5 -33,-4.1 -32,-0.1 2,-0.3 155,-0.1 0.502 104.4 83.8 85.2 6.4 -1.3 4.5 36.8 145 173 A S T <4 S+ 0 0 42 -3,-1.5 152,-2.4 -34,-0.5 2,-0.4 0.785 87.2 33.7-108.8 -39.5 -4.5 6.5 36.6 146 174 A Q E < -N 296 0E 56 -4,-0.6 2,-0.6 -35,-0.3 -33,-0.5 -0.972 64.9-138.5-130.0 135.0 -4.4 8.5 33.4 147 175 A R E +N 295 0E 2 148,-3.6 148,-2.6 -2,-0.4 2,-0.4 -0.782 23.4 173.0 -86.1 122.7 -2.9 7.9 30.0 148 176 A L - 0 0 22 -38,-3.2 -36,-0.2 -2,-0.6 5,-0.1 -0.913 37.5-123.6-128.4 105.6 -1.2 10.9 28.6 149 177 A Y + 0 0 14 141,-0.5 2,-0.4 -2,-0.4 -40,-0.1 -0.213 45.2 174.4 -52.4 130.1 0.5 9.9 25.5 150 178 A S > - 0 0 0 1,-0.1 4,-2.1 -43,-0.1 5,-0.3 -0.948 43.7-161.1-156.4 122.1 4.1 10.9 26.0 151 179 A N H > S+ 0 0 17 -34,-3.4 4,-3.5 -2,-0.4 5,-0.3 0.945 103.0 50.8 -64.1 -50.4 7.5 10.6 24.4 152 180 A P H > S+ 0 0 0 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.841 110.2 53.9 -59.6 -28.1 9.3 11.4 27.7 153 181 A S H > S+ 0 0 0 -37,-0.4 4,-2.1 2,-0.2 -2,-0.2 0.995 120.4 26.8 -66.5 -62.9 7.3 8.7 29.3 154 182 A I H X S+ 0 0 0 -4,-2.1 4,-2.9 2,-0.2 5,-0.2 0.815 118.2 62.8 -72.9 -27.9 8.0 5.8 27.0 155 183 A G H X S+ 0 0 0 -4,-3.5 4,-3.0 -5,-0.3 -1,-0.2 0.944 106.8 44.0 -55.2 -49.4 11.3 7.4 26.1 156 184 A L H X S+ 0 0 0 -4,-2.0 4,-3.5 -5,-0.3 5,-0.3 0.906 110.2 55.9 -64.8 -40.5 12.3 7.0 29.7 157 185 A F H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.941 112.5 41.7 -53.8 -48.7 10.9 3.5 29.7 158 186 A G H X S+ 0 0 0 -4,-2.9 4,-2.7 2,-0.2 -2,-0.2 0.911 114.5 51.4 -66.0 -43.1 13.2 2.6 26.7 159 187 A Y H X S+ 0 0 17 -4,-3.0 4,-2.7 1,-0.2 -2,-0.2 0.918 113.1 45.1 -59.5 -45.2 16.1 4.5 28.3 160 188 A L H X S+ 0 0 0 -4,-3.5 4,-3.0 2,-0.2 -1,-0.2 0.866 109.8 54.6 -69.9 -36.0 15.6 2.6 31.5 161 189 A A H X S+ 0 0 0 -4,-2.5 4,-1.2 -5,-0.3 -2,-0.2 0.929 110.4 47.5 -59.4 -44.5 15.2 -0.7 29.7 162 190 A A H ><>S+ 0 0 2 -4,-2.7 5,-1.8 1,-0.2 3,-0.6 0.936 111.8 49.5 -59.9 -47.7 18.5 0.1 28.0 163 191 A R H ><5S+ 0 0 98 -4,-2.7 3,-1.4 1,-0.3 -2,-0.2 0.895 106.5 55.5 -58.0 -41.1 20.0 0.9 31.4 164 192 A S H 3<5S+ 0 0 18 -4,-3.0 -1,-0.3 1,-0.3 -2,-0.2 0.789 108.8 48.6 -63.9 -26.6 18.7 -2.4 32.8 165 193 A L T <<5S- 0 0 25 -4,-1.2 -1,-0.3 -3,-0.6 -2,-0.2 0.462 113.3-123.9 -90.7 -3.9 20.6 -4.1 30.0 166 194 A G T < 5S+ 0 0 64 -3,-1.4 -3,-0.2 -4,-0.5 -2,-0.1 0.672 78.1 93.0 73.1 18.9 23.7 -2.1 30.8 167 195 A Q S - 0 0 61 0, 0.0 4,-2.6 0, 0.0 5,-0.2 -0.343 36.8-123.7 -59.1 142.4 23.0 2.6 25.6 169 197 A F H > S+ 0 0 2 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.903 110.6 51.8 -50.7 -48.4 19.6 2.3 24.1 170 198 A E H > S+ 0 0 60 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.877 110.5 47.8 -62.4 -39.8 20.9 3.3 20.7 171 199 A R H > S+ 0 0 119 2,-0.2 4,-3.6 1,-0.2 5,-0.4 0.913 110.6 51.4 -68.3 -42.8 23.6 0.6 20.8 172 200 A L H X>S+ 0 0 0 -4,-2.6 5,-2.8 2,-0.2 4,-2.1 0.900 111.5 48.6 -60.0 -40.6 21.2 -2.0 21.9 173 201 A M H <>S+ 0 0 0 -4,-2.5 5,-3.2 3,-0.2 -2,-0.2 0.953 119.5 36.8 -63.5 -49.3 18.9 -1.1 19.0 174 202 A E H <5S+ 0 0 81 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.883 126.2 36.1 -70.9 -41.7 21.7 -1.2 16.4 175 203 A Q H <5S+ 0 0 130 -4,-3.6 -3,-0.2 -5,-0.2 -2,-0.2 0.760 136.9 5.5 -88.9 -27.2 23.7 -4.1 17.8 176 204 A Q T X5S+ 0 0 55 -4,-2.1 4,-2.5 -5,-0.4 -3,-0.2 0.747 122.6 48.2-123.7 -53.7 21.0 -6.3 19.0 177 205 A V H >45S+ 0 0 71 0, 0.0 3,-1.3 0, 0.0 -1,-0.2 0.912 111.1 53.5 -62.0 -38.1 19.8 -7.5 13.8 180 208 A A H 3<5S+ 0 0 22 -4,-2.5 64,-0.3 1,-0.3 -2,-0.2 0.863 111.2 45.8 -61.6 -35.5 17.6 -9.8 15.9 181 209 A L T 3<5S- 0 0 9 -4,-2.1 -1,-0.3 -5,-0.2 -3,-0.1 0.412 117.4-116.0 -87.4 0.3 14.6 -8.6 13.9 182 210 A G T < 5 + 0 0 42 -3,-1.3 2,-0.7 -4,-0.4 -2,-0.1 0.811 63.0 153.4 70.2 32.0 16.6 -9.0 10.7 183 211 A L < + 0 0 6 -5,-3.3 3,-0.2 -6,-0.2 -1,-0.2 -0.842 15.3 155.2-104.4 108.6 16.4 -5.3 10.0 184 212 A E S S+ 0 0 172 -2,-0.7 -1,-0.1 1,-0.1 -2,-0.0 0.378 77.3 53.1-109.6 -1.7 19.3 -4.0 7.9 185 213 A Q S S+ 0 0 48 -7,-0.1 41,-0.9 41,-0.1 2,-0.4 -0.129 89.5 96.6-121.0 31.0 17.4 -1.0 6.6 186 214 A T E +L 225 0C 4 -3,-0.2 2,-0.3 39,-0.2 39,-0.2 -0.993 50.8 167.3-129.2 125.0 16.4 0.3 10.0 187 215 A H E -L 224 0C 23 37,-3.4 37,-3.5 -2,-0.4 3,-0.2 -0.968 42.9-165.4-141.3 148.2 18.4 2.9 11.7 188 216 A L S S+ 0 0 14 -2,-0.3 2,-0.5 1,-0.3 -1,-0.1 0.687 107.8 26.6 -91.4 -33.8 18.4 5.3 14.6 189 217 A D S S- 0 0 122 -3,-0.1 -1,-0.3 -19,-0.1 3,-0.1 -0.932 94.5-133.8-131.2 100.9 21.3 7.0 12.9 190 218 A V - 0 0 9 -2,-0.5 5,-0.1 -3,-0.2 35,-0.0 -0.388 26.4-117.5 -61.3 123.5 21.1 6.4 9.2 191 219 A P >> - 0 0 59 0, 0.0 3,-2.0 0, 0.0 4,-0.5 -0.319 19.7-117.6 -58.7 146.1 24.6 5.5 7.9 192 220 A E G >4 S+ 0 0 174 1,-0.3 3,-1.4 2,-0.2 4,-0.4 0.872 116.8 59.1 -49.3 -39.8 26.1 7.9 5.5 193 221 A A G 34 S+ 0 0 105 1,-0.3 -1,-0.3 2,-0.1 3,-0.1 0.657 109.0 44.1 -68.3 -16.4 26.1 5.0 2.9 194 222 A A G X> S+ 0 0 20 -3,-2.0 3,-1.8 1,-0.1 4,-0.5 0.378 83.0 99.1-106.0 1.2 22.3 4.7 3.3 195 223 A L G X< S+ 0 0 80 -3,-1.4 3,-1.3 -4,-0.5 -2,-0.1 0.810 73.1 65.2 -63.1 -29.6 21.5 8.5 3.2 196 224 A A G 34 S+ 0 0 73 -4,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.744 101.8 51.4 -61.9 -23.2 20.6 8.3 -0.4 197 225 A Q G <4 S+ 0 0 78 -3,-1.8 -140,-3.0 -141,-0.1 2,-0.7 0.611 85.0 105.8 -84.6 -14.8 17.7 6.1 0.7 198 226 A Y B << -j 57 0C 14 -3,-1.3 -140,-0.2 -4,-0.5 -142,-0.1 -0.563 69.4-137.8 -76.8 109.1 16.6 8.6 3.3 199 227 A A - 0 0 0 -142,-3.0 2,-0.3 -2,-0.7 -154,-0.2 -0.211 18.8-110.5 -58.6 151.5 13.5 10.3 2.1 200 228 A Q - 0 0 24 -156,-3.0 2,-0.3 10,-0.1 -175,-0.1 -0.674 30.0-136.2 -76.1 141.8 13.1 14.0 2.5 201 229 A G - 0 0 0 -2,-0.3 8,-2.7 120,-0.1 2,-0.4 -0.750 17.3-152.7 -94.2 151.8 10.5 14.9 5.0 202 230 A Y B +Op 208 341F 0 118,-1.9 140,-0.8 138,-1.0 2,-0.1 -0.993 20.1 162.8-132.1 130.5 8.1 17.7 4.1 203 231 A G > - 0 0 10 4,-2.3 3,-1.7 -2,-0.4 117,-0.1 -0.169 55.8 -12.0-114.2-146.3 6.2 20.2 6.4 204 232 A K G > S+ 0 0 110 1,-0.3 3,-1.9 2,-0.2 -1,-0.3 -0.261 135.9 5.8 -59.0 138.8 4.4 23.5 5.8 205 233 A D G 3 S- 0 0 166 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.0 0.751 128.6 -74.8 52.6 28.7 5.1 25.1 2.4 206 234 A D G < S+ 0 0 39 -3,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.785 76.5 176.0 54.4 33.2 7.0 21.8 1.7 207 235 A R < - 0 0 49 -3,-1.9 -4,-2.3 1,-0.1 2,-0.2 -0.497 38.5-109.8 -63.5 130.7 9.9 22.9 3.9 208 236 A P B -O 202 0F 79 0, 0.0 2,-0.4 0, 0.0 -6,-0.3 -0.497 42.6-175.3 -67.5 130.9 12.3 19.9 4.0 209 237 A L + 0 0 47 -8,-2.7 2,-0.4 -2,-0.2 111,-0.1 -0.921 15.9 170.4-138.7 107.5 12.2 18.4 7.4 210 238 A R - 0 0 98 -2,-0.4 -10,-0.1 -10,-0.1 2,-0.0 -0.938 49.0 -95.3-110.0 143.6 14.4 15.6 8.6 211 239 A V - 0 0 32 -2,-0.4 3,-0.1 10,-0.1 107,-0.0 -0.287 40.2-149.4 -64.4 132.0 14.2 14.8 12.3 212 240 A G - 0 0 43 1,-0.2 -1,-0.1 5,-0.0 -3,-0.0 -0.503 34.8 -72.3 -92.6 168.7 16.9 16.5 14.4 213 241 A P + 0 0 110 0, 0.0 -1,-0.2 0, 0.0 -88,-0.2 -0.286 59.4 168.2 -57.4 141.8 18.5 15.2 17.6 214 242 A G > - 0 0 5 -90,-0.1 3,-2.1 -3,-0.1 4,-0.3 -0.976 44.6 -73.6-151.7 162.2 16.2 15.4 20.6 215 243 A P T 3 S- 0 0 11 0, 0.0 -96,-0.2 0, 0.0 -90,-0.1 -0.386 118.5 -6.9 -60.5 128.1 16.1 14.0 24.1 216 244 A L T 3> S+ 0 0 6 -2,-0.1 4,-2.3 1,-0.1 5,-0.3 0.811 89.1 149.0 51.0 35.4 15.4 10.3 24.1 217 245 A D H <>> + 0 0 19 -3,-2.1 4,-3.1 1,-0.2 5,-0.9 0.913 66.7 54.8 -62.8 -40.7 14.8 10.7 20.4 218 246 A A H >5S+ 0 0 3 -4,-0.3 4,-0.9 3,-0.2 5,-0.3 0.923 114.0 41.3 -58.5 -43.6 16.0 7.1 19.8 219 247 A E H 45S+ 0 0 1 2,-0.2 -151,-0.3 1,-0.1 -1,-0.2 0.845 125.5 33.0 -72.7 -37.9 13.5 5.8 22.2 220 248 A G H <5S- 0 0 0 -4,-2.3 -155,-0.5 -5,-0.1 -2,-0.2 0.856 144.0 -16.1 -91.1 -39.0 10.6 8.0 21.3 221 249 A Y H <5S+ 0 0 43 -4,-3.1 -160,-0.5 -5,-0.3 -3,-0.2 0.092 90.0 123.3-160.2 27.5 10.9 8.6 17.6 222 250 A G << + 0 0 2 -4,-0.9 2,-0.2 -5,-0.9 -4,-0.2 0.627 41.4 107.1 -79.9 -17.0 14.4 7.6 16.5 223 251 A V - 0 0 1 -162,-0.4 -163,-2.4 -5,-0.3 -162,-0.5 -0.452 39.0-177.1 -82.1 131.4 13.8 5.1 13.8 224 252 A K E +KL 59 187C 20 -37,-3.5 -37,-3.4 -2,-0.2 2,-0.3 -0.993 27.9 152.7-112.5 127.8 14.3 5.6 10.2 225 253 A T E -KL 58 186C 0 -167,-2.7 -167,-3.3 -2,-0.5 -39,-0.2 -0.958 41.6-108.4-150.2 166.7 13.3 2.6 8.3 226 254 A S E > -K 57 0C 0 -41,-0.9 4,-3.0 -2,-0.3 5,-0.2 -0.553 32.6-114.0 -92.5 162.8 12.0 1.4 5.0 227 255 A A H > S+ 0 0 0 -171,-0.5 4,-2.8 -174,-0.4 5,-0.2 0.905 120.0 53.8 -59.5 -39.7 8.5 0.1 4.4 228 256 A A H > S+ 0 0 0 -174,-2.7 4,-2.1 2,-0.2 -1,-0.2 0.932 112.7 41.5 -61.6 -47.0 10.2 -3.3 3.7 229 257 A D H > S+ 0 0 1 -175,-0.4 4,-2.4 2,-0.2 -2,-0.2 0.903 113.8 51.5 -69.2 -40.3 12.0 -3.3 7.0 230 258 A L H X S+ 0 0 0 -4,-3.0 4,-2.5 1,-0.2 -2,-0.2 0.906 110.6 49.9 -66.0 -36.7 9.1 -2.0 8.9 231 259 A L H X S+ 0 0 0 -4,-2.8 4,-3.4 2,-0.2 -1,-0.2 0.888 106.8 54.6 -64.2 -38.9 7.0 -4.7 7.4 232 260 A R H X S+ 0 0 83 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.913 109.5 48.4 -57.7 -40.8 9.6 -7.2 8.4 233 261 A F H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.903 110.4 50.0 -65.5 -41.0 9.2 -5.9 11.9 234 262 A V H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.926 110.6 50.5 -60.7 -42.4 5.5 -6.2 11.5 235 263 A D H X S+ 0 0 28 -4,-3.4 4,-1.9 2,-0.2 -2,-0.2 0.874 107.4 52.8 -64.4 -36.8 6.1 -9.8 10.3 236 264 A A H < S+ 0 0 8 -4,-2.4 -1,-0.2 2,-0.2 -2,-0.2 0.905 111.4 47.7 -61.0 -41.8 8.2 -10.3 13.4 237 265 A N H < S+ 0 0 3 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.864 112.0 48.4 -66.0 -36.8 5.3 -9.1 15.4 238 266 A L H < S+ 0 0 14 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.783 129.0 24.7 -71.6 -27.3 2.9 -11.3 13.5 239 267 A H >< + 0 0 28 -4,-1.9 3,-2.4 -5,-0.2 -1,-0.3 -0.491 62.1 160.3-139.9 67.6 5.3 -14.2 14.1 240 268 A P G > S+ 0 0 9 0, 0.0 3,-2.5 0, 0.0 -1,-0.1 0.840 75.6 70.5 -57.1 -30.3 7.5 -13.7 17.1 241 269 A E G 3 S+ 0 0 125 1,-0.3 4,-0.1 7,-0.1 7,-0.1 0.608 86.3 66.3 -63.8 -13.0 8.0 -17.5 17.0 242 270 A R G < S+ 0 0 151 -3,-2.4 -1,-0.3 -6,-0.2 2,-0.2 0.564 93.7 75.4 -83.2 -9.7 10.1 -17.0 13.9 243 271 A L S < S- 0 0 32 -3,-2.5 5,-0.1 -4,-0.2 -62,-0.1 -0.669 103.9 -81.6 -98.7 156.6 12.6 -15.2 15.9 244 272 A D >> - 0 0 126 -64,-0.3 4,-2.2 -2,-0.2 3,-1.7 -0.298 56.2-102.0 -54.4 140.8 15.2 -16.6 18.3 245 273 A R H 3> S+ 0 0 193 1,-0.3 4,-3.0 2,-0.2 5,-0.3 0.767 119.1 54.6 -43.1 -48.3 13.4 -17.3 21.6 246 274 A P H 3> S+ 0 0 45 0, 0.0 4,-1.5 0, 0.0 -1,-0.3 0.886 116.5 39.6 -56.1 -37.0 14.7 -14.2 23.5 247 275 A W H <> S+ 0 0 23 -3,-1.7 4,-2.7 2,-0.2 -2,-0.2 0.835 110.8 56.8 -83.1 -32.9 13.5 -12.0 20.8 248 276 A A H X S+ 0 0 10 -4,-2.2 4,-2.7 2,-0.2 -1,-0.2 0.946 111.2 45.3 -56.4 -48.5 10.3 -13.9 20.2 249 277 A Q H X S+ 0 0 73 -4,-3.0 4,-2.0 2,-0.2 -2,-0.2 0.874 109.7 55.1 -61.8 -41.4 9.6 -13.3 23.9 250 278 A A H X S+ 0 0 0 -4,-1.5 4,-0.5 -5,-0.3 -1,-0.2 0.926 111.1 44.6 -57.9 -46.7 10.6 -9.6 23.5 251 279 A L H >< S+ 0 0 0 -4,-2.7 3,-1.5 1,-0.2 -2,-0.2 0.912 109.6 55.1 -65.0 -43.8 8.0 -9.2 20.8 252 280 A D H >< S+ 0 0 56 -4,-2.7 3,-2.2 1,-0.3 54,-0.2 0.862 99.7 62.3 -55.5 -37.3 5.4 -11.1 22.7 253 281 A A H 3< S+ 0 0 3 -4,-2.0 3,-0.5 1,-0.3 15,-0.4 0.729 98.8 55.3 -64.9 -21.0 6.0 -8.6 25.5 254 282 A T T << S+ 0 0 0 -3,-1.5 16,-0.4 -4,-0.5 -1,-0.3 0.385 98.6 65.2 -89.3 3.3 4.8 -5.9 23.2 255 283 A H S < S+ 0 0 16 -3,-2.2 51,-3.8 -4,-0.2 2,-0.5 -0.225 77.8 102.7-116.9 40.4 1.6 -7.8 22.6 256 284 A R E -C 305 0A 93 -3,-0.5 2,-0.3 49,-0.3 12,-0.3 -0.991 60.8-147.0-127.1 121.2 0.3 -7.5 26.1 257 285 A G E -C 304 0A 0 47,-3.8 47,-2.7 -2,-0.5 10,-0.3 -0.714 15.4-179.2 -90.1 139.7 -2.4 -5.0 26.9 258 286 A Y E - 0 0 28 8,-3.0 42,-2.4 1,-0.4 2,-0.3 0.687 64.3 -9.6-111.8 -26.9 -2.4 -3.3 30.3 259 287 A Y E -CD 299 266A 2 7,-0.6 7,-2.7 40,-0.3 -1,-0.4 -0.965 62.8-119.0-160.8 169.2 -5.4 -1.1 30.2 260 288 A K E -CD 298 265A 55 38,-2.6 38,-3.0 -2,-0.3 2,-0.4 -0.925 11.7-171.3-116.5 142.9 -8.0 0.3 27.9 261 289 A V E > S- D 0 264A 7 3,-2.9 3,-2.6 -2,-0.4 36,-0.1 -0.961 73.0 -53.6-124.8 113.5 -8.8 3.8 27.0 262 290 A G T 3 S- 0 0 69 -2,-0.4 36,-0.1 1,-0.3 23,-0.0 -0.341 124.3 -14.7 54.4-124.0 -12.0 3.7 25.0 263 291 A D T 3 S+ 0 0 57 18,-0.2 11,-0.5 -3,-0.1 2,-0.4 0.512 119.9 94.2 -84.3 -6.7 -11.5 1.2 22.2 264 292 A M E < -DE 261 273A 0 -3,-2.6 -3,-2.9 9,-0.1 2,-0.6 -0.754 56.8-159.9-100.0 131.4 -7.8 1.1 22.6 265 293 A T E -DE 260 272A 2 7,-3.3 7,-3.3 -2,-0.4 2,-0.6 -0.950 23.3-134.7-105.9 123.0 -5.9 -1.4 24.6 266 294 A Q E +DE 259 271A 0 -7,-2.7 -8,-3.0 -2,-0.6 -7,-0.6 -0.680 30.9 168.1 -87.3 119.1 -2.5 -0.1 25.5 267 295 A G - 0 0 0 3,-2.8 2,-0.9 -2,-0.6 -10,-0.2 -0.318 56.7 -64.4-101.2-165.2 0.4 -2.5 25.0 268 296 A L S S- 0 0 0 -15,-0.4 2,-2.4 -12,-0.3 -159,-0.1 -0.803 115.6 -29.1 -83.7 110.7 4.1 -1.7 25.1 269 297 A G S S+ 0 0 0 -2,-0.9 -203,-0.2 -161,-0.5 -1,-0.1 -0.424 126.9 90.1 79.0 -65.1 4.4 0.5 22.1 270 298 A W - 0 0 0 -2,-2.4 -3,-2.8 -16,-0.4 2,-0.4 -0.339 62.0-155.9 -67.5 142.9 1.5 -1.2 20.3 271 299 A E E -EF 266 313A 6 42,-2.2 42,-3.0 -5,-0.2 2,-0.4 -0.978 16.6-152.3-119.8 132.5 -2.0 0.0 20.8 272 300 A A E -EF 265 312A 0 -7,-3.3 -7,-3.3 -2,-0.4 2,-0.3 -0.825 15.4-176.3-117.6 145.6 -4.7 -2.5 20.1 273 301 A Y E -EF 264 311A 0 38,-2.6 38,-3.0 -2,-0.4 -9,-0.1 -0.951 38.2 -99.5-129.3 151.4 -8.2 -2.4 19.0 274 302 A D E - F 0 310A 91 -11,-0.5 36,-0.3 -2,-0.3 35,-0.0 -0.416 54.9-105.7 -61.0 146.5 -10.8 -5.1 18.6 275 303 A W S S+ 0 0 33 34,-2.4 2,-0.1 1,-0.1 3,-0.0 -0.993 100.1 35.2-132.9 126.0 -11.0 -6.0 15.0 276 304 A P S S+ 0 0 108 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.483 81.0 149.3 -77.7 159.3 -13.1 -5.3 13.2 277 305 A I - 0 0 20 -2,-0.1 -4,-0.0 -4,-0.1 33,-0.0 -0.941 52.4 -85.2-145.8 157.5 -13.9 -1.9 14.5 278 306 A S > - 0 0 50 -2,-0.3 4,-2.4 1,-0.1 5,-0.2 -0.267 31.3-121.3 -65.0 152.1 -15.1 1.1 12.6 279 307 A L H > S+ 0 0 40 1,-0.2 4,-3.2 2,-0.2 5,-0.2 0.929 114.4 55.9 -54.7 -45.3 -12.7 3.4 10.8 280 308 A K H > S+ 0 0 165 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.877 107.8 47.2 -60.5 -37.6 -14.0 6.3 12.9 281 309 A R H > S+ 0 0 129 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.908 112.7 48.8 -69.5 -40.3 -13.2 4.4 16.1 282 310 A L H X S+ 0 0 0 -4,-2.4 4,-0.8 2,-0.2 -2,-0.2 0.900 113.9 47.3 -65.0 -39.1 -9.8 3.5 14.9 283 311 A Q H >< S+ 0 0 34 -4,-3.2 3,-0.8 2,-0.2 -2,-0.2 0.923 110.2 52.0 -65.7 -43.6 -9.3 7.1 13.9 284 312 A A H >< S+ 0 0 53 -4,-2.9 3,-1.5 1,-0.3 6,-0.3 0.891 107.1 53.6 -58.1 -40.6 -10.6 8.3 17.2 285 313 A G H 3< S+ 0 0 9 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.728 116.6 38.8 -66.1 -21.9 -8.1 6.0 18.9 286 314 A N T << S+ 0 0 3 -3,-0.8 -1,-0.3 -4,-0.8 -2,-0.2 -0.036 96.7 122.4-116.0 28.6 -5.4 7.6 16.8 287 315 A S S <> S- 0 0 31 -3,-1.5 4,-1.9 58,-0.1 5,-0.2 -0.405 75.2-109.4 -93.3 166.3 -6.7 11.1 17.1 288 316 A T H > S+ 0 0 94 1,-0.2 4,-3.3 2,-0.2 5,-0.3 0.931 118.9 50.7 -59.1 -48.6 -5.1 14.3 18.4 289 317 A P H > S+ 0 0 59 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.868 108.7 53.8 -60.6 -34.4 -7.3 14.4 21.5 290 318 A M H 4 S+ 0 0 14 -6,-0.3 -141,-0.5 1,-0.2 -2,-0.2 0.914 117.2 36.8 -61.1 -44.1 -6.4 10.8 22.2 291 319 A A H < S+ 0 0 22 -4,-1.9 -142,-0.2 1,-0.2 -1,-0.2 0.853 124.1 39.7 -74.7 -38.0 -2.7 11.7 22.0 292 320 A L H < S+ 0 0 89 -4,-3.3 -2,-0.2 -5,-0.2 -1,-0.2 0.579 105.1 66.3 -97.6 -12.0 -2.9 15.1 23.6 293 321 A Q S < S- 0 0 105 -4,-1.8 -144,-0.4 -5,-0.3 2,-0.2 -0.866 82.5-112.1-116.0 144.5 -5.4 14.7 26.4 294 322 A P - 0 0 57 0, 0.0 2,-0.5 0, 0.0 -146,-0.2 -0.546 33.2-162.5 -71.1 137.6 -5.1 12.6 29.6 295 323 A H E -N 147 0E 51 -148,-2.6 -148,-3.6 -2,-0.2 2,-0.1 -0.992 22.5-118.7-124.8 128.2 -7.5 9.7 29.5 296 324 A R E -N 146 0E 73 -2,-0.5 -150,-0.2 -150,-0.3 2,-0.2 -0.416 38.0-133.0 -58.4 132.1 -8.5 7.8 32.6 297 325 A I - 0 0 27 -152,-2.4 2,-0.7 -36,-0.1 -36,-0.2 -0.626 6.8-140.8 -90.4 150.6 -7.4 4.2 32.0 298 326 A A E -C 260 0A 58 -38,-3.0 -38,-2.6 -2,-0.2 2,-0.1 -0.923 30.7-144.0-104.1 98.8 -9.5 1.1 32.6 299 327 A R E -C 259 0A 172 -2,-0.7 -40,-0.3 -40,-0.3 -41,-0.0 -0.411 11.1-125.2 -66.9 135.9 -6.8 -1.1 34.0 300 328 A L E - 0 0 27 -42,-2.4 -1,-0.1 1,-0.1 4,-0.0 -0.599 13.2-125.6 -80.6 145.5 -7.1 -4.7 33.0 301 329 A P E S+ 0 0 141 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.796 95.6 1.7 -59.8 -29.0 -7.2 -7.4 35.8 302 330 A A E S- 0 0 58 -45,-0.1 -45,-0.1 0, 0.0 0, 0.0 -0.967 101.3 -73.6-151.3 156.4 -4.3 -9.0 34.0 303 331 A P E - 0 0 76 0, 0.0 2,-0.5 0, 0.0 -45,-0.2 -0.311 52.4-137.1 -53.1 135.2 -2.2 -8.3 30.9 304 332 A Q E -C 257 0A 58 -47,-2.7 -47,-3.8 -45,-0.0 2,-0.3 -0.863 14.3-116.9-102.6 129.7 -4.3 -9.1 27.9 305 333 A A E -C 256 0A 43 -2,-0.5 2,-1.4 -49,-0.2 -49,-0.3 -0.502 21.8-145.7 -63.6 122.0 -2.8 -11.0 25.0 306 334 A L + 0 0 1 -51,-3.8 2,-0.2 -2,-0.3 -1,-0.1 -0.699 62.3 94.6 -93.7 83.3 -2.9 -8.6 22.1 307 335 A E + 0 0 114 -2,-1.4 2,-0.1 22,-0.1 4,-0.1 -0.815 52.8 43.5-154.1-174.1 -3.5 -11.1 19.4 308 336 A G S S+ 0 0 28 -2,-0.2 22,-2.7 1,-0.2 2,-2.6 -0.381 118.0 8.7 64.0-136.1 -6.3 -12.8 17.5 309 337 A Q S S+ 0 0 74 21,-0.2 -34,-2.4 20,-0.2 2,-0.3 -0.391 105.0 111.1 -82.6 67.2 -9.0 -10.5 16.2 310 338 A R E -F 274 0A 43 -2,-2.6 2,-0.6 -36,-0.3 20,-0.3 -0.964 61.0-138.1-136.4 149.9 -7.3 -7.3 17.1 311 339 A L E -F 273 0A 0 -38,-3.0 -38,-2.6 -2,-0.3 2,-0.5 -0.968 19.8-164.6-108.7 121.1 -5.7 -4.6 15.2 312 340 A L E +FG 272 327A 0 15,-3.6 15,-2.9 -2,-0.6 2,-0.3 -0.900 22.2 160.6-101.9 134.8 -2.4 -3.5 16.7 313 341 A N E -FG 271 326A 0 -42,-3.0 -42,-2.2 -2,-0.5 2,-0.3 -0.948 28.7-163.4-146.7 166.8 -1.2 -0.2 15.5 314 342 A K E - G 0 325A 1 11,-2.2 11,-2.2 -2,-0.3 2,-0.3 -0.895 9.7-154.6-153.2 131.6 1.0 2.7 16.0 315 343 A T E + G 0 324A 13 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.703 19.2 179.5 -90.5 152.5 1.0 6.1 14.5 316 344 A G E + G 0 323A 2 7,-2.3 7,-3.9 -2,-0.3 2,-0.4 -0.957 3.7 177.4-155.5 140.2 4.3 8.0 14.4 317 345 A S E - G 0 322A 34 -2,-0.3 -255,-0.4 5,-0.2 2,-0.3 -0.990 13.5-172.8-140.1 148.1 5.2 11.3 13.1 318 346 A T - 0 0 10 3,-1.9 3,-0.4 -2,-0.4 -2,-0.0 -0.675 55.8 -86.5-116.4-174.4 8.1 13.6 12.8 319 347 A N S S+ 0 0 122 -2,-0.3 23,-0.5 1,-0.2 -109,-0.1 0.853 129.8 27.0 -60.9 -31.3 7.8 17.1 11.5 320 348 A G S S+ 0 0 0 21,-0.2 -118,-1.9 -111,-0.1 2,-0.3 0.408 118.0 59.0-111.4 0.3 8.3 15.8 8.0 321 349 A F - 0 0 0 -3,-0.4 -3,-1.9 20,-0.2 2,-0.4 -0.942 50.6-163.3-137.7 153.1 7.0 12.3 8.2 322 350 A G E +GH 317 339A 0 17,-2.2 17,-2.1 -2,-0.3 2,-0.3 -0.964 17.5 179.0-139.5 118.3 3.9 10.4 9.0 323 351 A A E -GH 316 338A 0 -7,-3.9 -7,-2.3 -2,-0.4 2,-0.3 -0.848 7.0-179.4-118.6 151.9 4.0 6.7 9.6 324 352 A Y E -GH 315 337A 0 13,-1.9 13,-3.0 -2,-0.3 2,-0.4 -0.956 2.9-174.6-150.9 135.3 1.4 4.2 10.5 325 353 A V E +GH 314 336A 0 -11,-2.2 -11,-2.2 -2,-0.3 2,-0.4 -0.995 8.9 170.4-128.3 134.9 1.7 0.6 11.2 326 354 A A E +GH 313 335A 0 9,-2.5 9,-3.1 -2,-0.4 2,-0.3 -0.996 2.5 174.5-140.5 140.1 -1.2 -1.7 11.7 327 355 A F E -GH 312 334A 0 -15,-2.9 -15,-3.6 -2,-0.4 7,-0.3 -0.993 25.6-145.1-145.1 154.6 -1.4 -5.4 11.9 328 356 A V E >>> - H 0 333A 0 5,-3.3 3,-1.9 -2,-0.3 5,-1.7 -0.919 12.1-164.8-117.7 97.4 -4.0 -8.0 12.7 329 357 A P G >45S+ 0 0 26 0, 0.0 3,-1.4 0, 0.0 -1,-0.2 0.898 88.9 51.9 -49.9 -47.4 -2.2 -10.8 14.6 330 358 A G G 345S+ 0 0 33 -22,-2.7 -21,-0.2 -20,-0.3 -19,-0.1 0.577 113.6 44.6 -69.2 -10.4 -5.2 -13.2 14.1 331 359 A R G <45S- 0 0 133 -3,-1.9 -298,-0.4 -23,-0.3 -1,-0.3 0.360 102.4-126.4-111.9 -0.2 -5.2 -12.5 10.3 332 360 A D T <<5 + 0 0 40 -3,-1.4 -298,-0.6 -4,-0.7 -299,-0.5 0.930 67.6 140.3 50.8 45.3 -1.5 -12.7 9.7 333 361 A L E < + H 0 328A 21 -5,-1.7 -5,-3.3 -301,-0.1 2,-0.3 -0.977 25.0 165.8-126.0 129.3 -2.0 -9.3 8.2 334 362 A G E -BH 31 327A 1 -303,-2.3 -303,-3.2 -2,-0.4 2,-0.3 -0.992 9.9-173.1-142.7 147.9 0.2 -6.4 8.5 335 363 A L E -BH 30 326A 1 -9,-3.1 -9,-2.5 -2,-0.3 2,-0.4 -0.999 8.6-163.3-145.1 150.1 0.6 -3.1 6.9 336 364 A V E -BH 29 325A 0 -307,-2.9 -307,-2.1 -2,-0.3 2,-0.5 -0.987 3.6-172.5-124.6 133.8 3.0 -0.2 6.9 337 365 A I E +BH 28 324A 0 -13,-3.0 -13,-1.9 -2,-0.4 2,-0.5 -0.952 10.4 178.9-130.9 108.9 2.2 3.2 5.6 338 366 A L E +BH 27 323A 0 -311,-3.1 -311,-3.1 -2,-0.5 2,-0.3 -0.952 3.3 175.4-115.7 127.3 5.2 5.5 5.5 339 367 A A E -BH 26 322A 0 -17,-2.1 -17,-2.2 -2,-0.5 -313,-0.2 -0.944 36.0-133.9-130.9 151.3 4.9 8.9 4.2 340 368 A N S S+ 0 0 0 -315,-2.1 -138,-1.0 -2,-0.3 2,-0.3 -0.198 88.7 69.3 -99.8 39.6 7.2 11.9 4.0 341 369 A R B S-p 202 0F 27 -19,-0.2 2,-1.6 -140,-0.2 -20,-0.2 -0.952 84.1-125.4-140.4 143.8 4.6 14.3 5.2 342 370 A N + 0 0 73 -140,-0.8 -20,-0.2 -23,-0.5 -25,-0.1 -0.726 48.3 169.6 -78.9 90.1 3.2 14.4 8.7 343 371 A Y - 0 0 3 -2,-1.6 5,-0.2 1,-0.1 -2,-0.1 -0.725 45.8 -66.7-104.8 158.5 -0.3 14.1 7.5 344 372 A P >> - 0 0 74 0, 0.0 3,-1.4 0, 0.0 4,-1.4 -0.070 37.5-130.4 -52.4 136.7 -3.2 13.6 9.9 345 373 A N H 3> S+ 0 0 32 1,-0.3 4,-2.9 2,-0.2 5,-0.3 0.861 108.2 63.1 -49.1 -40.0 -3.2 10.2 11.6 346 374 A A H 3> S+ 0 0 33 1,-0.3 4,-2.2 2,-0.2 -1,-0.3 0.827 102.0 50.9 -56.7 -33.5 -6.9 9.8 10.6 347 375 A E H <> S+ 0 0 34 -3,-1.4 4,-2.1 2,-0.2 -1,-0.3 0.855 109.3 49.0 -74.9 -36.7 -5.7 9.9 7.0 348 376 A R H X S+ 0 0 0 -4,-1.4 4,-2.6 -3,-0.2 -2,-0.2 0.933 113.5 46.7 -65.8 -45.1 -3.1 7.2 7.6 349 377 A V H X S+ 0 0 0 -4,-2.9 4,-3.6 1,-0.2 5,-0.2 0.886 108.3 57.4 -64.9 -38.1 -5.7 5.1 9.4 350 378 A K H X S+ 0 0 86 -4,-2.2 4,-2.5 -5,-0.3 -1,-0.2 0.914 109.0 45.2 -57.3 -45.4 -8.1 5.8 6.5 351 379 A I H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.966 115.8 46.2 -61.9 -51.9 -5.5 4.3 4.1 352 380 A A H X S+ 0 0 0 -4,-2.6 4,-3.4 1,-0.2 -2,-0.2 0.920 114.2 48.5 -56.9 -45.4 -4.9 1.3 6.3 353 381 A Y H X S+ 0 0 41 -4,-3.6 4,-3.4 1,-0.2 5,-0.2 0.890 109.2 51.6 -65.4 -42.1 -8.5 0.8 6.9 354 382 A A H X S+ 0 0 37 -4,-2.5 4,-2.1 -5,-0.2 -1,-0.2 0.911 114.2 45.4 -60.0 -41.7 -9.4 1.0 3.2 355 383 A I H X S+ 0 0 0 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.957 115.5 44.9 -66.0 -51.4 -6.7 -1.6 2.6 356 384 A L H X S+ 0 0 7 -4,-3.4 4,-1.8 1,-0.2 -2,-0.2 0.905 115.0 49.0 -59.7 -42.9 -7.7 -3.8 5.4 357 385 A S H X S+ 0 0 47 -4,-3.4 4,-2.8 1,-0.2 -1,-0.2 0.872 111.5 49.3 -63.3 -40.1 -11.4 -3.5 4.4 358 386 A G H < S+ 0 0 25 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.819 109.0 52.4 -70.1 -32.5 -10.6 -4.2 0.8 359 387 A L H < S+ 0 0 46 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.831 113.2 45.0 -70.0 -33.7 -8.6 -7.3 1.9 360 388 A E H < 0 0 92 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.894 360.0 360.0 -71.4 -43.6 -11.7 -8.4 3.8 361 389 A Q < 0 0 116 -4,-2.8 -3,-0.1 -5,-0.1 -4,-0.0 0.285 360.0 360.0 -92.9 360.0 -14.0 -7.6 0.9