==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-JUL-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TOXIN, HYDROLASE 17-APR-12 4EPI . COMPND 2 MOLECULE: PESTICIN, LYSOZYME CHIMERA; . SOURCE 2 ORGANISM_SCIENTIFIC: YERSINIA PESTIS, ENTEROBACTERIA PHAGE . AUTHOR N.SEDDIKI,J.W.FAIRMAN,N.NOINAJ,P.LUKACIK,T.BARNARD,S.K.BUCHA . 329 2 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18006.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 213 64.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 7 2.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 47 14.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.6 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 . 19 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 104 31.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.9 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 3 1 0 4 0 0 0 1 2 1 0 0 0 0 0 1 0 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 . 1 1 2 2 2 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 ANTIPARALLEL BRIDGES PER LADDER . 0 1 0 0 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 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 0 A S > 0 0 107 0, 0.0 3,-1.6 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 165.4 -3.5 -28.2 9.4 2 1 A M T 3 + 0 0 197 1,-0.3 0, 0.0 3,-0.0 0, 0.0 0.781 360.0 56.9 -65.7 -26.0 -4.0 -27.9 13.2 3 2 A S T 3 S+ 0 0 104 2,-0.1 -1,-0.3 3,-0.0 3,-0.0 0.461 77.5 128.5 -84.7 -2.5 -1.0 -25.6 13.6 4 3 A D < - 0 0 102 -3,-1.6 2,-0.6 1,-0.1 0, 0.0 -0.224 66.6-115.3 -54.4 140.8 -2.5 -23.1 11.1 5 4 A T + 0 0 117 1,-0.2 -1,-0.1 3,-0.0 3,-0.1 -0.720 42.4 164.8 -81.3 116.9 -2.6 -19.5 12.4 6 5 A M + 0 0 177 -2,-0.6 2,-0.5 1,-0.2 -1,-0.2 0.619 61.7 56.0-104.4 -19.8 -6.2 -18.4 12.8 7 6 A V - 0 0 121 2,-0.0 2,-0.4 0, 0.0 -1,-0.2 -0.963 62.0-176.2-119.0 130.0 -5.7 -15.3 15.0 8 7 A V + 0 0 129 -2,-0.5 2,-0.2 -3,-0.1 -3,-0.0 -0.989 10.4 159.7-122.8 130.8 -3.4 -12.4 14.2 9 8 A N - 0 0 117 -2,-0.4 -2,-0.0 2,-0.1 0, 0.0 -0.622 56.8 -77.8-128.4-163.1 -2.7 -9.4 16.3 10 9 A G S S+ 0 0 81 -2,-0.2 7,-0.2 7,-0.0 -2,-0.0 0.413 84.1 121.4 -80.4 3.2 0.1 -6.8 16.5 11 10 A S - 0 0 97 5,-0.1 -2,-0.1 6,-0.0 0, 0.0 -0.261 68.9 -4.1 -70.0 152.6 2.6 -9.1 18.2 12 11 A G S >S+ 0 0 60 1,-0.1 5,-0.5 5,-0.0 2,-0.1 -0.245 73.2 169.7 64.2-146.5 6.0 -9.7 16.6 13 12 A G T 5 - 0 0 40 3,-0.1 4,-0.1 4,-0.1 3,-0.1 0.053 43.8 -85.0 82.3 147.6 7.0 -8.4 13.1 14 13 A V T 5S+ 0 0 141 1,-0.5 2,-0.1 2,-0.1 87,-0.0 -0.709 120.9 17.4 86.7 52.3 9.0 -8.0 11.0 15 14 A P T > 5S- 0 0 17 0, 0.0 3,-0.9 0, 0.0 -1,-0.5 0.931 102.9-118.7 -66.3 161.2 10.4 -5.2 11.7 16 15 A A T 3 5S- 0 0 20 120,-0.4 -3,-0.1 1,-0.2 -2,-0.1 -0.371 85.0 -2.1 -75.7 142.4 9.3 -4.9 15.4 17 16 A F T > 0 0 122 0, 0.0 3,-1.3 0, 0.0 -2,-0.2 0.000 360.0 360.0 360.0 126.6 -10.4 12.0 2.1 35 34 A S G > + 0 0 109 1,-0.3 3,-1.5 2,-0.1 -3,-0.0 0.838 360.0 63.9 -63.4 -35.3 -9.3 11.9 5.7 36 35 A I G 3 S+ 0 0 148 1,-0.3 -1,-0.3 2,-0.1 3,-0.3 0.476 93.5 64.8 -74.4 -1.2 -10.4 8.3 6.4 37 36 A T G X + 0 0 32 -3,-1.3 3,-1.4 1,-0.2 -1,-0.3 0.213 64.0 105.8-104.6 11.4 -7.9 7.0 3.9 38 37 A I T < S+ 0 0 96 -3,-1.5 20,-1.8 1,-0.3 21,-0.5 0.849 77.6 57.7 -59.4 -33.0 -4.7 8.1 5.8 39 38 A A T 3 S+ 0 0 54 -3,-0.3 -1,-0.3 18,-0.2 -2,-0.1 0.639 90.3 89.2 -73.2 -12.1 -4.2 4.4 6.8 40 39 A L S < S- 0 0 101 -3,-1.4 18,-0.2 1,-0.1 16,-0.1 -0.618 95.9 -94.3 -80.0 146.7 -4.1 3.4 3.1 41 40 A P - 0 0 65 0, 0.0 2,-0.4 0, 0.0 16,-0.2 -0.360 42.0-175.3 -64.3 135.6 -0.6 3.6 1.5 42 41 A H E -B 56 0A 45 14,-1.6 14,-3.4 -4,-0.1 2,-0.4 -0.997 11.6-148.9-130.1 133.7 0.3 6.8 -0.3 43 42 A Y E +B 55 0A 93 -2,-0.4 2,-0.3 12,-0.2 12,-0.2 -0.852 20.0 169.0-107.5 138.8 3.5 7.2 -2.3 44 43 A V E -B 54 0A 31 10,-2.3 10,-3.1 -2,-0.4 2,-0.5 -0.995 33.5-128.0-145.4 147.0 5.5 10.3 -2.7 45 44 A D E -B 53 0A 96 -2,-0.3 8,-0.2 8,-0.2 3,-0.1 -0.863 41.3-112.7 -90.1 125.1 8.9 11.3 -4.0 46 45 A L > - 0 0 2 6,-2.8 3,-1.8 -2,-0.5 6,-0.1 -0.431 40.6-104.1 -60.5 125.0 10.6 13.5 -1.4 47 46 A P T 3 S+ 0 0 78 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.251 101.2 13.1 -55.0 133.3 10.9 17.0 -2.9 48 47 A G T 3 S+ 0 0 88 1,-0.2 2,-0.4 -3,-0.1 -2,-0.1 0.478 108.2 101.2 85.0 5.8 14.5 17.9 -4.0 49 48 A R < - 0 0 45 -3,-1.8 3,-0.4 3,-0.1 2,-0.3 -0.945 58.9-143.3-127.6 144.7 15.8 14.3 -3.9 50 49 A S S S+ 0 0 94 -2,-0.4 -4,-0.0 1,-0.2 0, 0.0 -0.711 86.6 13.1 -95.5 156.4 16.5 11.5 -6.4 51 50 A N S S+ 0 0 50 -2,-0.3 -1,-0.2 1,-0.1 23,-0.1 0.888 93.7 121.3 43.3 51.2 15.9 7.8 -5.5 52 51 A F + 0 0 3 -3,-0.4 -6,-2.8 -6,-0.1 2,-0.3 -0.441 28.6 158.8-143.1 62.9 13.9 8.9 -2.4 53 52 A K E -B 45 0A 42 -8,-0.2 11,-0.4 11,-0.2 2,-0.4 -0.691 20.2-162.7 -83.7 139.0 10.4 7.5 -2.6 54 53 A L E -B 44 0A 1 -10,-3.1 -10,-2.3 -2,-0.3 2,-0.6 -0.953 12.6-147.1-123.8 143.9 8.4 7.2 0.6 55 54 A M E -BC 43 62A 36 7,-2.6 7,-2.8 -2,-0.4 2,-0.5 -0.959 18.7-152.9-109.1 122.1 5.4 5.2 1.4 56 55 A Y E +BC 42 61A 11 -14,-3.4 -14,-1.6 -2,-0.6 2,-0.4 -0.862 19.1 170.9 -99.0 130.7 3.1 6.9 4.0 57 56 A I E > S- C 0 60A 33 3,-2.0 3,-2.6 -2,-0.5 -18,-0.2 -0.996 75.5 -11.7-135.3 125.5 0.8 4.9 6.3 58 57 A M T 3 S- 0 0 85 -20,-1.8 -19,-0.2 -2,-0.4 -20,-0.1 0.781 128.4 -57.4 53.3 30.6 -1.0 6.5 9.2 59 58 A G T 3 S+ 0 0 44 -21,-0.5 -1,-0.3 1,-0.3 -20,-0.1 0.358 113.8 118.0 86.3 -5.7 1.1 9.6 8.7 60 59 A F E < -C 57 0A 40 -3,-2.6 -3,-2.0 -38,-0.0 2,-0.4 -0.749 60.9-129.9 -94.2 139.7 4.4 7.6 9.2 61 60 A P E -C 56 0A 2 0, 0.0 50,-3.0 0, 0.0 2,-0.5 -0.768 16.9-163.1 -94.6 136.1 7.0 7.4 6.3 62 61 A I E -CD 55 110A 4 -7,-2.8 -7,-2.6 -2,-0.4 2,-0.7 -0.966 5.3-156.1-114.4 126.1 8.4 4.0 5.3 63 62 A D E - D 0 109A 0 46,-3.1 46,-2.3 -2,-0.5 2,-0.4 -0.920 17.8-176.9-104.6 108.1 11.6 3.9 3.2 64 63 A T E - D 0 108A 28 -2,-0.7 10,-2.9 -11,-0.4 2,-0.4 -0.900 7.9-172.0-107.6 140.6 11.8 0.6 1.2 65 64 A E E +eD 74 107A 0 42,-2.2 42,-2.9 -2,-0.4 2,-0.3 -0.976 7.1 177.5-126.0 141.2 14.7 -0.4 -1.1 66 65 A M E - D 0 106A 47 8,-2.4 10,-0.4 -2,-0.4 40,-0.2 -0.996 34.0-143.5-141.3 145.5 14.7 -3.5 -3.4 67 66 A E S S+ 0 0 137 38,-2.1 -1,-0.1 -2,-0.3 39,-0.1 0.917 88.1 83.0 -67.3 -44.0 17.1 -5.0 -5.8 68 67 A K S S- 0 0 164 37,-0.3 2,-0.2 1,-0.1 -2,-0.1 -0.355 98.6-106.7 -58.5 135.6 14.1 -5.9 -8.0 69 68 A D + 0 0 152 2,-0.0 2,-0.3 6,-0.0 -1,-0.1 -0.459 52.3 167.2 -68.0 137.4 13.1 -2.9 -10.1 70 69 A S - 0 0 42 3,-0.3 3,-0.4 -2,-0.2 -4,-0.1 -0.997 47.1-141.5-154.1 144.8 9.9 -1.4 -8.8 71 70 A E S S+ 0 0 149 -2,-0.3 -1,-0.1 1,-0.2 -2,-0.0 0.566 107.2 49.1 -79.4 -7.4 7.8 1.7 -9.2 72 71 A Y S S+ 0 0 148 2,-0.1 2,-0.3 -19,-0.0 -1,-0.2 0.325 107.2 49.7-117.0 2.4 7.1 1.5 -5.4 73 72 A S S S- 0 0 15 -3,-0.4 -3,-0.3 -5,-0.1 -8,-0.2 -0.962 79.5-107.4-138.2 159.6 10.5 1.1 -3.9 74 73 A N B -e 65 0A 6 -10,-2.9 -8,-2.4 -2,-0.3 2,-0.1 -0.391 36.5-101.3 -79.4 160.8 13.9 2.7 -4.1 75 74 A K - 0 0 157 -10,-0.2 2,-0.2 1,-0.1 -8,-0.2 -0.460 58.2 -80.8 -70.0 153.6 17.0 1.3 -5.7 76 75 A I - 0 0 57 -10,-0.4 2,-0.2 -2,-0.1 -1,-0.1 -0.423 54.1-130.3 -57.6 125.4 19.5 -0.1 -3.2 77 76 A R - 0 0 11 -2,-0.2 2,-0.2 1,-0.1 70,-0.1 -0.506 18.4-108.8 -82.1 149.4 21.4 2.9 -1.8 78 77 A Q - 0 0 144 68,-0.3 70,-2.0 -2,-0.2 2,-0.3 -0.476 31.5-113.9 -72.9 143.1 25.2 2.9 -1.6 79 78 A E B -f 148 0A 113 68,-0.2 70,-0.2 -2,-0.2 -1,-0.1 -0.608 31.2-120.4 -75.6 133.4 26.9 2.6 1.7 80 79 A S - 0 0 20 68,-3.0 70,-0.2 -2,-0.3 -1,-0.1 -0.322 6.7-135.7 -63.9 151.7 28.8 5.8 2.9 81 80 A K + 0 0 203 2,-0.1 -1,-0.1 68,-0.1 2,-0.1 0.516 69.0 118.3 -82.5 -10.6 32.6 5.5 3.6 82 81 A I S S- 0 0 61 1,-0.1 2,-0.2 66,-0.1 -2,-0.1 -0.404 75.9-108.1 -63.5 132.3 32.1 7.6 6.8 83 82 A S > - 0 0 49 1,-0.2 4,-1.8 -2,-0.1 -1,-0.1 -0.408 18.1-155.2 -64.3 124.0 33.2 5.5 9.8 84 83 A K T 4 S+ 0 0 50 -2,-0.2 -1,-0.2 1,-0.2 76,-0.1 0.752 95.8 44.8 -69.0 -22.9 30.3 4.4 12.0 85 84 A T T 4 S+ 0 0 76 66,-0.0 -1,-0.2 74,-0.0 -2,-0.0 0.808 135.1 5.4 -87.9 -34.4 32.7 4.2 15.0 86 85 A E T 4 S+ 0 0 75 2,-0.1 -2,-0.2 77,-0.0 -1,-0.0 0.395 102.0 103.8-135.7 -2.6 34.7 7.4 14.7 87 86 A G < - 0 0 13 -4,-1.8 2,-0.3 -5,-0.0 77,-0.1 -0.111 45.8-155.7 -80.4 177.4 33.2 9.5 11.9 88 87 A T - 0 0 49 75,-0.1 2,-0.4 76,-0.1 73,-0.1 -0.950 15.7-129.1-143.5 166.4 31.0 12.6 11.8 89 88 A V - 0 0 4 -2,-0.3 6,-0.0 71,-0.3 29,-0.0 -0.958 50.0 -91.3-112.5 137.5 28.5 14.3 9.5 90 89 A S > - 0 0 58 -2,-0.4 3,-2.1 1,-0.1 75,-0.1 -0.264 41.2-122.4 -51.0 133.8 29.2 18.0 8.9 91 90 A Y T 3 S+ 0 0 106 1,-0.3 27,-0.4 73,-0.3 28,-0.2 0.599 105.2 51.2 -69.2 -14.1 27.2 19.8 11.7 92 91 A E T 3 S+ 0 0 117 25,-0.1 -1,-0.3 26,-0.1 2,-0.2 0.520 86.4 103.2 -96.0 -8.8 25.0 21.9 9.4 93 92 A Q S < S- 0 0 74 -3,-2.1 25,-0.4 1,-0.1 2,-0.2 -0.501 71.2-124.8 -75.7 145.0 23.8 19.1 7.1 94 93 A K - 0 0 106 -2,-0.2 50,-0.4 23,-0.1 2,-0.3 -0.608 31.2-163.1 -80.2 150.2 20.3 17.7 7.4 95 94 A I E -G 116 0A 1 21,-3.0 21,-2.5 -2,-0.2 2,-0.5 -0.917 18.4-136.0-133.9 158.7 20.0 13.9 8.0 96 95 A T E - H 0 142A 0 46,-1.8 46,-2.8 -2,-0.3 2,-0.5 -0.975 19.1-159.1-116.2 125.0 17.4 11.2 7.8 97 96 A V E +GH 113 141A 0 16,-2.2 15,-3.0 -2,-0.5 16,-1.8 -0.915 16.5 176.7-107.5 129.7 17.4 8.7 10.6 98 97 A E E -GH 111 140A 0 42,-2.9 42,-2.5 -2,-0.5 2,-0.4 -0.927 17.7-162.4-133.2 157.1 15.7 5.3 10.0 99 98 A T E +GH 110 139A 1 11,-2.4 11,-3.3 -2,-0.3 2,-0.3 -1.000 40.4 87.7-141.1 135.4 15.2 2.1 11.8 100 99 A G E -GH 109 138A 0 38,-2.6 38,-3.1 -2,-0.4 2,-0.3 -0.895 60.0 -72.2 175.4-147.0 14.2 -1.3 10.3 101 100 A Q E -G 108 0A 72 7,-2.2 7,-2.7 -2,-0.3 2,-0.3 -0.953 26.5-167.0-145.2 160.2 15.5 -4.5 8.8 102 101 A E E +G 107 0A 39 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.993 14.9 149.2-152.5 143.8 17.1 -5.8 5.6 103 102 A K E > +G 106 0A 163 3,-2.6 3,-1.1 -2,-0.3 -2,-0.0 -0.889 61.6 10.1-171.0 145.7 17.8 -9.1 4.0 104 103 A D T 3 S- 0 0 144 -2,-0.3 -37,-0.1 1,-0.3 3,-0.1 0.867 129.3 -49.1 54.8 45.4 18.1 -10.8 0.6 105 104 A G T 3 S+ 0 0 19 1,-0.2 -38,-2.1 -39,-0.1 2,-0.4 0.677 117.0 105.2 70.1 20.3 18.0 -7.5 -1.3 106 105 A V E < -DG 66 103A 64 -3,-1.1 -3,-2.6 -40,-0.2 2,-0.4 -1.000 45.3-174.6-128.6 135.5 15.0 -6.0 0.4 107 106 A K E -DG 65 102A 30 -42,-2.9 -42,-2.2 -2,-0.4 2,-0.5 -0.997 5.9-174.0-132.4 133.0 15.1 -3.3 3.0 108 107 A V E +DG 64 101A 44 -7,-2.7 -7,-2.2 -2,-0.4 2,-0.4 -0.961 13.8 174.2-131.3 112.4 12.2 -1.9 5.0 109 108 A Y E -DG 63 100A 1 -46,-2.3 -46,-3.1 -2,-0.5 2,-0.4 -0.970 27.6-138.8-126.4 131.5 12.9 1.1 7.2 110 109 A R E -DG 62 99A 0 -11,-3.3 -11,-2.4 -2,-0.4 2,-0.6 -0.727 28.1-127.7 -78.9 130.0 10.7 3.3 9.3 111 110 A V E + G 0 98A 0 -50,-3.0 -13,-0.2 -2,-0.4 3,-0.2 -0.735 32.3 172.6 -80.7 122.6 11.7 7.0 9.0 112 111 A M E S+ 0 0 0 -15,-3.0 -88,-2.6 -2,-0.6 2,-0.4 0.751 74.8 18.1 -97.9 -38.4 12.2 8.4 12.5 113 112 A V E S-aG 24 97A 0 -16,-1.8 -16,-2.2 -90,-0.2 2,-0.7 -0.976 72.9-155.0-134.9 124.4 13.7 11.8 11.5 114 113 A L E S-a 25 0A 3 -90,-2.6 -88,-0.7 -2,-0.4 -87,-0.4 -0.883 73.9 -32.4-106.2 110.7 13.1 13.1 7.9 115 114 A E E S+ 0 0 59 -2,-0.7 -19,-0.2 27,-0.2 -1,-0.2 0.914 97.3 153.7 46.4 53.2 15.8 15.6 6.8 116 115 A G E - G 0 95A 4 -21,-2.5 -21,-3.0 -3,-0.2 -1,-0.1 -0.544 47.6 -94.7-102.3 171.3 16.2 17.0 10.3 117 116 A T > - 0 0 44 -23,-0.2 4,-2.2 -2,-0.2 -23,-0.1 -0.396 34.4-111.7 -79.6 164.2 19.2 18.7 12.0 118 117 A I H > S+ 0 0 1 -27,-0.4 4,-2.4 -25,-0.4 5,-0.1 0.923 118.7 50.2 -60.9 -43.9 21.6 16.7 14.0 119 118 A A H > S+ 0 0 65 -28,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.896 109.9 49.6 -64.1 -40.6 20.5 18.4 17.2 120 119 A E H > S+ 0 0 89 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.901 110.5 52.6 -60.0 -39.7 16.8 17.7 16.5 121 120 A S H X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.906 105.6 53.0 -65.4 -43.9 17.8 14.1 15.8 122 121 A I H X S+ 0 0 36 -4,-2.4 4,-0.8 2,-0.2 -1,-0.2 0.934 113.4 42.5 -54.7 -50.8 19.5 13.8 19.2 123 122 A E H >< S+ 0 0 116 -4,-1.9 3,-0.7 1,-0.2 4,-0.4 0.922 114.5 51.5 -63.8 -44.5 16.5 15.0 21.1 124 123 A H H >< S+ 0 0 1 -4,-2.6 3,-1.3 1,-0.2 -2,-0.2 0.891 107.3 50.9 -60.5 -44.5 14.0 13.0 19.0 125 124 A L H 3< S+ 0 0 2 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.625 104.1 60.8 -73.7 -13.8 15.9 9.7 19.5 126 125 A D T << S+ 0 0 94 -4,-0.8 -1,-0.3 -3,-0.7 -2,-0.2 0.525 76.0 118.2 -85.1 -6.2 16.0 10.2 23.2 127 126 A K X - 0 0 60 -3,-1.3 3,-1.8 -4,-0.4 4,-0.3 -0.377 68.1-133.4 -64.1 135.4 12.2 10.2 23.5 128 127 A K G > S+ 0 0 153 1,-0.3 3,-1.6 2,-0.2 4,-0.4 0.851 103.8 62.1 -58.1 -36.5 10.9 7.4 25.7 129 128 A E G 3 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3 S- 0 0 112 1,-0.3 3,-0.1 -12,-0.1 -2,-0.1 0.756 73.0 -59.7 56.5 22.5 48.3 0.8 28.2 222 221 A G T 3 S+ 0 0 6 1,-0.2 -39,-1.6 -13,-0.2 2,-0.4 0.570 117.9 104.8 84.3 8.5 48.2 4.6 28.6 223 222 A V B < -L 182 0C 66 -3,-1.8 2,-0.3 -41,-0.2 -41,-0.2 -0.986 45.1-177.7-125.2 129.0 48.2 5.4 24.9 224 223 A I - 0 0 6 -43,-2.6 2,-0.1 -2,-0.4 -30,-0.1 -0.786 24.9-115.0-120.1 164.3 45.2 6.5 22.9 225 224 A T > - 0 0 64 -2,-0.3 4,-1.7 1,-0.1 3,-0.2 -0.466 35.4-104.5 -88.5 167.0 44.6 7.3 19.2 226 225 A K H > S+ 0 0 85 1,-0.2 4,-1.7 2,-0.2 3,-0.4 0.936 124.2 52.4 -56.3 -44.3 43.7 10.8 17.9 227 226 A D H > S+ 0 0 57 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.834 104.7 55.6 -65.4 -29.5 40.1 9.7 17.5 228 227 A E H > S+ 0 0 20 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.826 101.7 56.6 -70.2 -31.8 40.0 8.5 21.1 229 228 A A H X S+ 0 0 0 -4,-1.7 4,-2.3 -3,-0.4 -34,-0.4 0.901 108.2 49.5 -59.3 -38.7 41.1 12.0 22.2 230 229 A E H X S+ 0 0 18 -4,-1.7 4,-2.5 2,-0.2 -2,-0.2 0.841 107.3 54.3 -67.1 -35.5 38.0 13.1 20.4 231 230 A K H X S+ 0 0 60 -4,-1.5 4,-2.2 2,-0.2 -2,-0.2 0.934 110.2 45.2 -63.3 -45.8 36.0 10.4 22.2 232 231 A L H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.913 112.5 52.3 -62.6 -43.2 37.1 11.7 25.6 233 232 A F H X S+ 0 0 3 -4,-2.3 4,-3.2 1,-0.2 5,-0.2 0.922 108.4 50.6 -58.0 -44.9 36.4 15.2 24.5 234 233 A N H X S+ 0 0 3 -4,-2.5 4,-2.8 1,-0.2 -1,-0.2 0.904 110.9 49.3 -59.7 -45.0 32.9 14.2 23.4 235 234 A Q H X S+ 0 0 60 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.909 113.1 47.3 -59.9 -42.7 32.3 12.6 26.9 236 235 A D H X S+ 0 0 38 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.899 113.0 46.8 -68.7 -42.5 33.6 15.8 28.6 237 236 A V H X S+ 0 0 0 -4,-3.2 4,-2.7 2,-0.2 5,-0.3 0.944 112.1 52.2 -62.9 -46.2 31.5 18.1 26.4 238 237 A D H X S+ 0 0 27 -4,-2.8 4,-2.6 -5,-0.2 -2,-0.2 0.903 111.4 46.5 -54.1 -46.9 28.4 15.9 27.0 239 238 A A H X S+ 0 0 42 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.902 111.9 50.7 -64.0 -42.7 29.0 16.0 30.8 240 239 A A H X S+ 0 0 11 -4,-2.3 4,-2.8 2,-0.2 -2,-0.2 0.911 112.8 45.6 -61.2 -44.2 29.5 19.8 30.8 241 240 A V H X S+ 0 0 23 -4,-2.7 4,-2.7 2,-0.2 5,-0.2 0.921 110.4 53.3 -69.1 -45.0 26.3 20.3 28.8 242 241 A R H X S+ 0 0 120 -4,-2.6 4,-1.0 -5,-0.3 -1,-0.2 0.930 113.0 44.8 -55.3 -43.0 24.3 17.9 31.0 243 242 A G H >< S+ 0 0 13 -4,-2.5 3,-0.6 1,-0.2 4,-0.5 0.921 110.2 54.0 -66.3 -47.1 25.6 19.9 34.1 244 243 A I H >< S+ 0 0 0 -4,-2.8 3,-1.4 1,-0.2 7,-0.4 0.916 107.3 51.7 -49.9 -45.6 24.8 23.3 32.5 245 244 A L H 3< S+ 0 0 72 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.736 108.9 50.6 -71.8 -19.4 21.2 22.2 31.8 246 245 A R T << S+ 0 0 196 -4,-1.0 2,-0.7 -3,-0.6 -1,-0.3 0.461 95.0 86.3 -90.0 -2.9 20.7 21.2 35.5 247 246 A N X> - 0 0 31 -3,-1.4 4,-2.9 -4,-0.5 3,-2.2 -0.880 64.9-156.5-110.3 110.8 22.0 24.5 36.7 248 247 A A T 34 S+ 0 0 90 -2,-0.7 -1,-0.1 1,-0.3 -4,-0.0 0.692 95.7 55.7 -58.1 -20.3 19.4 27.2 37.0 249 248 A K T 34 S+ 0 0 146 2,-0.1 -1,-0.3 1,-0.1 4,-0.2 0.659 119.0 29.6 -86.1 -17.1 22.2 29.8 36.7 250 249 A L T <> S+ 0 0 0 -3,-2.2 4,-2.7 -6,-0.4 5,-0.2 0.701 101.3 74.6-114.1 -30.5 23.6 28.5 33.4 251 250 A K H X S+ 0 0 87 -4,-2.9 4,-3.2 -7,-0.4 5,-0.3 0.907 95.0 51.2 -55.7 -48.5 20.6 26.9 31.5 252 251 A P H > S+ 0 0 50 0, 0.0 4,-1.5 0, 0.0 -1,-0.2 0.917 114.0 43.4 -61.4 -41.8 19.0 30.2 30.4 253 252 A V H > S+ 0 0 2 1,-0.2 4,-1.1 2,-0.2 3,-0.3 0.954 115.8 48.7 -66.8 -45.1 22.2 31.6 29.0 254 253 A Y H >< S+ 0 0 24 -4,-2.7 3,-0.8 1,-0.2 -1,-0.2 0.911 109.3 52.4 -57.6 -46.3 23.1 28.3 27.3 255 254 A D H 3< S+ 0 0 75 -4,-3.2 -1,-0.2 1,-0.2 -2,-0.2 0.840 110.7 49.6 -58.8 -35.3 19.6 27.9 25.8 256 255 A S H 3< S+ 0 0 33 -4,-1.5 -1,-0.2 -3,-0.3 -2,-0.2 0.688 94.2 93.8 -78.6 -21.4 19.8 31.4 24.3 257 256 A L << - 0 0 7 -4,-1.1 2,-0.1 -3,-0.8 31,-0.0 -0.464 69.7-126.1 -82.5 146.8 23.3 31.0 22.7 258 257 A D > - 0 0 57 -2,-0.2 4,-2.5 1,-0.1 5,-0.2 -0.273 42.2 -91.0 -71.7 169.7 24.2 29.9 19.1 259 258 A A H > S+ 0 0 46 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.856 123.9 47.3 -53.4 -47.5 26.6 27.0 18.5 260 259 A V H > S+ 0 0 15 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.935 114.2 46.7 -66.2 -47.5 29.8 29.0 18.4 261 260 A R H > S+ 0 0 25 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.854 107.1 58.8 -64.5 -30.9 29.0 31.0 21.5 262 261 A R H X S+ 0 0 73 -4,-2.5 4,-2.8 1,-0.2 -1,-0.2 0.903 101.8 55.2 -59.9 -40.1 28.0 27.7 23.3 263 262 A a H X S+ 0 0 2 -4,-1.7 4,-2.4 1,-0.2 -1,-0.2 0.896 104.9 52.7 -60.0 -38.5 31.5 26.5 22.6 264 263 A A H X S+ 0 0 0 -4,-1.4 4,-2.0 2,-0.2 -1,-0.2 0.901 110.4 46.9 -67.2 -38.9 32.9 29.6 24.4 265 264 A L H X S+ 0 0 0 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.928 112.6 49.4 -64.8 -43.8 30.7 28.8 27.5 266 265 A I H X S+ 0 0 5 -4,-2.8 4,-2.6 1,-0.2 -2,-0.2 0.889 106.6 57.3 -61.3 -37.6 31.8 25.2 27.4 267 266 A N H X S+ 0 0 0 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.930 105.7 50.0 -58.0 -48.7 35.4 26.4 27.1 268 267 A M H X S+ 0 0 3 -4,-2.0 4,-2.8 1,-0.2 5,-0.4 0.907 109.7 50.3 -57.1 -43.5 34.9 28.4 30.4 269 268 A V H X S+ 0 0 17 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.917 108.8 52.3 -62.3 -44.2 33.5 25.3 32.2 270 269 A F H < S+ 0 0 42 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.902 115.6 42.8 -54.8 -42.4 36.5 23.1 31.0 271 270 A Q H < S+ 0 0 55 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.941 134.8 8.1 -72.4 -46.1 38.8 25.7 32.4 272 271 A M H < S- 0 0 57 -4,-2.8 4,-0.5 1,-0.2 -3,-0.2 0.407 101.8-109.9-125.8 0.2 37.3 26.6 35.8 273 272 A G X - 0 0 31 -4,-2.4 4,-2.0 -5,-0.4 5,-0.2 0.127 38.4 -75.3 83.6 161.0 34.4 24.2 36.4 274 273 A E H > S+ 0 0 62 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.909 127.3 51.2 -60.8 -47.2 30.7 24.7 36.5 275 274 A T H > S+ 0 0 124 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.901 109.7 52.4 -60.4 -40.5 30.4 26.4 39.9 276 275 A G H >4 S+ 0 0 33 -4,-0.5 3,-1.0 1,-0.2 4,-0.3 0.929 111.2 45.2 -60.7 -47.4 33.1 28.9 38.8 277 276 A V H >< S+ 0 0 0 -4,-2.0 3,-2.0 1,-0.2 -2,-0.2 0.901 105.6 61.8 -66.4 -39.2 31.3 29.8 35.6 278 277 A A H 3< S+ 0 0 6 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.685 91.9 69.4 -59.0 -17.6 28.0 30.1 37.4 279 278 A G T << S+ 0 0 56 -3,-1.0 2,-1.8 -4,-0.7 3,-0.3 0.656 74.1 86.1 -74.8 -15.1 29.6 32.9 39.5 280 279 A F <> + 0 0 36 -3,-2.0 4,-2.9 -4,-0.3 5,-0.3 -0.272 53.2 156.1 -84.4 54.8 29.7 35.3 36.5 281 280 A T H > + 0 0 93 -2,-1.8 4,-2.3 1,-0.2 -1,-0.2 0.876 68.4 41.4 -51.1 -50.8 26.1 36.5 37.1 282 281 A N H > S+ 0 0 82 -3,-0.3 4,-2.4 1,-0.2 -1,-0.2 0.926 116.8 46.3 -68.3 -46.2 26.3 39.9 35.4 283 282 A S H > S+ 0 0 4 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.894 112.5 51.9 -64.2 -39.5 28.3 38.8 32.3 284 283 A L H X S+ 0 0 12 -4,-2.9 4,-2.9 2,-0.2 -2,-0.2 0.933 109.0 50.9 -63.2 -40.8 26.0 35.8 31.9 285 284 A R H X S+ 0 0 99 -4,-2.3 4,-2.0 -5,-0.3 -2,-0.2 0.934 108.9 50.6 -61.7 -45.6 23.0 38.0 32.0 286 285 A M H <>S+ 0 0 32 -4,-2.4 5,-2.8 1,-0.2 -1,-0.2 0.912 111.7 48.6 -58.5 -42.3 24.5 40.3 29.3 287 286 A L H ><5S+ 0 0 2 -4,-2.4 3,-1.7 1,-0.2 -2,-0.2 0.916 108.6 52.8 -61.9 -44.7 25.2 37.2 27.1 288 287 A Q H 3<5S+ 0 0 89 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.865 110.4 48.0 -59.8 -34.8 21.6 36.0 27.6 289 288 A Q T 3<5S- 0 0 88 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.347 114.8-119.2 -87.5 4.7 20.3 39.4 26.5 290 289 A K T < 5 + 0 0 108 -3,-1.7 2,-1.5 1,-0.2 -3,-0.2 0.784 63.8 147.7 61.3 31.5 22.7 39.3 23.4 291 290 A R >< + 0 0 113 -5,-2.8 4,-2.8 1,-0.2 5,-0.2 -0.646 19.1 170.2 -92.9 76.4 24.5 42.5 24.6 292 291 A W H > + 0 0 51 -2,-1.5 4,-2.4 1,-0.2 -1,-0.2 0.887 68.8 46.2 -65.1 -45.9 27.8 41.1 23.1 293 292 A D H > S+ 0 0 111 -3,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.927 115.4 47.4 -63.0 -43.6 30.0 44.2 23.4 294 293 A E H > S+ 0 0 98 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.921 112.4 49.3 -64.0 -46.1 28.8 44.8 27.1 295 294 A A H X S+ 0 0 0 -4,-2.8 4,-2.8 2,-0.2 5,-0.2 0.915 111.4 49.3 -56.0 -46.7 29.4 41.1 28.0 296 295 A A H X S+ 0 0 10 -4,-2.4 4,-1.5 1,-0.2 -2,-0.2 0.925 111.8 48.8 -64.2 -42.3 32.9 41.2 26.5 297 296 A V H < S+ 0 0 85 -4,-2.5 4,-0.3 1,-0.2 -1,-0.2 0.937 114.0 46.1 -61.6 -44.2 33.8 44.4 28.3 298 297 A N H >< S+ 0 0 46 -4,-2.6 3,-1.6 1,-0.2 -2,-0.2 0.894 107.5 55.8 -68.3 -39.1 32.5 43.0 31.6 299 298 A L H >< S+ 0 0 3 -4,-2.8 3,-1.4 1,-0.3 6,-0.5 0.846 100.5 61.0 -62.1 -31.9 34.2 39.6 31.2 300 299 A A T 3< S+ 0 0 38 -4,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.578 95.1 62.5 -73.1 -7.3 37.6 41.3 30.8 301 300 A K T < S+ 0 0 159 -3,-1.6 -1,-0.3 -4,-0.3 -2,-0.2 0.363 87.5 104.0 -96.3 5.2 37.2 42.9 34.3 302 301 A S S <> S- 0 0 24 -3,-1.4 4,-2.0 -4,-0.1 5,-0.1 -0.400 82.7-118.6 -90.6 161.9 37.3 39.5 36.0 303 302 A R H > S+ 0 0 188 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.852 115.7 62.1 -62.0 -35.8 39.9 37.6 38.0 304 303 A W H > S+ 0 0 16 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.958 105.1 45.5 -51.1 -52.6 39.6 34.9 35.3 305 304 A Y H 4 S+ 0 0 55 -6,-0.5 -2,-0.2 1,-0.2 -1,-0.2 0.909 112.1 52.1 -61.0 -42.3 40.8 37.5 32.7 306 305 A N H < S+ 0 0 126 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.886 112.9 44.4 -62.0 -38.6 43.6 38.6 35.0 307 306 A Q H < S+ 0 0 133 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.889 133.2 14.5 -74.8 -42.2 44.9 35.1 35.6 308 307 A T S X S+ 0 0 48 -4,-2.4 4,-2.6 -5,-0.2 -1,-0.2 -0.606 71.5 162.3-133.9 70.5 44.8 33.8 32.0 309 308 A P H > S+ 0 0 42 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.820 71.5 55.0 -65.9 -31.8 44.4 36.9 29.8 310 309 A N H > S+ 0 0 110 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.963 115.3 37.2 -69.6 -48.1 45.5 35.3 26.5 311 310 A R H > S+ 0 0 32 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.920 117.2 53.2 -66.3 -44.1 43.0 32.4 26.6 312 311 A A H X S+ 0 0 0 -4,-2.6 4,-3.1 1,-0.2 5,-0.2 0.911 105.4 54.1 -58.8 -41.3 40.4 34.8 28.1 313 312 A K H X S+ 0 0 111 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.917 110.4 47.7 -57.6 -40.4 40.9 37.3 25.2 314 313 A R H X S+ 0 0 68 -4,-1.6 4,-1.7 2,-0.2 12,-0.2 0.929 113.9 45.1 -67.6 -45.8 40.3 34.4 22.7 315 314 A V H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.917 113.3 51.6 -62.9 -42.9 37.1 33.2 24.5 316 315 A I H X S+ 0 0 14 -4,-3.1 4,-3.2 1,-0.2 -2,-0.2 0.912 106.8 52.2 -63.6 -42.5 35.8 36.8 24.9 317 316 A T H X S+ 0 0 37 -4,-2.3 4,-2.5 2,-0.2 6,-0.4 0.883 108.0 53.8 -58.6 -39.6 36.3 37.5 21.2 318 317 A T H X S+ 0 0 0 -4,-1.7 4,-2.1 1,-0.2 -2,-0.2 0.932 112.2 42.9 -61.9 -46.2 34.3 34.3 20.5 319 318 A F H < S+ 0 0 0 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.900 116.0 49.7 -64.0 -40.3 31.4 35.6 22.8 320 319 A R H < S+ 0 0 112 -4,-3.2 -2,-0.2 -5,-0.2 -1,-0.2 0.936 127.5 19.5 -63.4 -43.3 31.7 39.2 21.3 321 320 A T H < S- 0 0 37 -4,-2.5 -3,-0.2 2,-0.2 -2,-0.2 0.645 85.4-133.6-105.7 -22.4 31.6 38.2 17.6 322 321 A G S < S+ 0 0 17 -4,-2.1 2,-0.2 -5,-0.4 -62,-0.2 0.719 73.6 108.5 64.4 22.7 30.1 34.6 17.4 323 322 A T S S- 0 0 48 -6,-0.4 3,-0.4 -5,-0.2 -1,-0.3 -0.760 81.1-119.2-122.2 169.1 33.0 33.8 15.0 324 323 A W S >> S+ 0 0 77 -2,-0.2 3,-2.0 1,-0.2 4,-0.6 0.088 70.9 123.9 -90.5 22.6 36.2 31.8 15.2 325 324 A D G >4 S+ 0 0 117 1,-0.3 3,-0.7 2,-0.2 -1,-0.2 0.805 70.8 51.9 -54.8 -37.0 38.4 34.8 14.5 326 325 A A G 34 S+ 0 0 31 -3,-0.4 -1,-0.3 -12,-0.2 -2,-0.1 0.585 113.0 46.2 -76.6 -11.6 40.5 34.3 17.6 327 326 A Y G X4 S+ 0 0 22 -3,-2.0 3,-1.4 -13,-0.1 -1,-0.2 0.288 76.7 123.9-116.3 3.6 41.2 30.7 16.7 328 327 A K T << S+ 0 0 64 -3,-0.7 -3,-0.0 -4,-0.6 0, 0.0 -0.433 88.4 2.6 -62.5 137.8 42.1 31.0 13.0 329 328 A N T 3 0 0 170 1,-0.2 -1,-0.3 -2,-0.1 -2,-0.0 0.660 360.0 360.0 58.2 19.7 45.6 29.5 12.5 330 329 A b < 0 0 118 -3,-1.4 -1,-0.2 -159,-0.0 -3,-0.1 -0.361 360.0 360.0 -61.8 360.0 46.0 28.4 16.1