==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-SEP-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 24-APR-12 4ARJ . COMPND 2 MOLECULE: PESTICIN, LYSOZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: YERSINIA PESTIS, ENTEROBACTERIA PHAGE . AUTHOR K.ZETH,S.I.PATZER,R.ALBRECHT,V.BRAUN . 635 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 32449.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 431 67.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 2.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 98 15.4 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 . 6 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 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 . 31 4.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 56 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 226 35.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 0.8 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 3 1 5 1 0 0 2 2 1 0 0 0 0 0 1 2 0 0 0 1 1 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 4 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 4 5 4 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 ANTIPARALLEL BRIDGES PER LADDER . 0 2 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 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 V 0 0 163 0, 0.0 85,-0.1 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 117.0 99.1 49.5 17.4 2 14 A P - 0 0 25 0, 0.0 119,-0.1 0, 0.0 91,-0.1 -0.412 360.0-144.5 -59.9 141.4 95.6 50.5 18.3 3 15 A A S S+ 0 0 52 114,-0.2 3,-0.2 1,-0.1 114,-0.1 0.996 71.7 4.4 -82.2 -74.7 95.8 54.1 19.3 4 16 A F S > S+ 0 0 84 113,-0.2 3,-3.9 1,-0.2 113,-0.1 0.205 75.2 145.6 -95.2 9.8 93.4 55.3 22.1 5 17 A L T 3 + 0 0 28 1,-0.3 -1,-0.2 112,-0.1 -2,-0.1 0.578 69.4 48.9 -46.2 -32.7 91.8 52.1 23.1 6 18 A F T 3 S+ 0 0 81 -3,-0.2 -1,-0.3 38,-0.0 2,-0.1 0.541 95.7 97.0 -83.2 -1.0 91.4 52.6 26.8 7 19 A S S < S+ 0 0 36 -3,-3.9 107,-0.1 107,-0.1 106,-0.0 -0.360 74.6 11.5 -75.3 160.7 89.8 56.1 26.2 8 20 A G S S- 0 0 19 105,-0.1 2,-0.3 -2,-0.1 106,-0.1 0.111 89.7 -64.0 67.9-176.3 86.1 56.8 26.0 9 21 A S - 0 0 34 99,-0.2 2,-0.5 102,-0.1 102,-0.1 -0.751 32.7-140.6-113.8 154.2 83.2 54.6 27.0 10 22 A T - 0 0 24 -2,-0.3 2,-0.7 2,-0.1 87,-0.2 -0.965 10.2-147.0-116.2 125.8 81.8 51.3 25.7 11 23 A L E +a 97 0A 47 85,-2.3 87,-2.3 -2,-0.5 2,-0.3 -0.796 35.0 149.4 -93.3 112.8 78.0 50.6 25.4 12 24 A S E -a 98 0A 14 -2,-0.7 87,-0.1 85,-0.2 88,-0.1 -0.990 42.2-155.0-143.8 135.1 77.2 47.0 26.1 13 25 A S S S+ 0 0 109 85,-0.8 2,-0.3 -2,-0.3 -1,-0.1 0.873 79.1 88.9 -69.8 -36.6 74.1 45.3 27.6 14 26 A Y - 0 0 58 84,-0.3 84,-0.1 -3,-0.1 -2,-0.0 -0.446 57.9-172.4 -69.0 123.5 76.3 42.4 28.6 15 27 A R - 0 0 169 -2,-0.3 2,-0.1 0, 0.0 -1,-0.1 -0.938 15.6-144.8-116.0 108.8 77.8 42.8 32.0 16 28 A P 0 0 52 0, 0.0 12,-0.0 0, 0.0 0, 0.0 -0.444 360.0 360.0 -71.4 146.5 80.3 40.0 32.8 17 29 A N 0 0 217 -2,-0.1 0, 0.0 0, 0.0 0, 0.0 0.755 360.0 360.0 24.1 360.0 80.4 38.9 36.5 18 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 19 34 A S 0 0 169 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 88.5 88.5 47.7 43.7 20 35 A I > - 0 0 138 1,-0.0 3,-0.6 0, 0.0 0, 0.0 -0.874 360.0 -51.5-167.3-170.7 90.1 44.7 42.0 21 36 A T G > S+ 0 0 63 -2,-0.3 3,-3.1 1,-0.2 -1,-0.0 0.352 76.2 117.9 -65.0 -4.1 92.1 42.4 39.7 22 37 A I G 3 + 0 0 77 1,-0.3 20,-1.4 19,-0.1 21,-0.5 0.722 59.7 75.5 -49.9 -25.7 90.6 44.0 36.5 23 38 A A G < S+ 0 0 63 -3,-0.6 -1,-0.3 18,-0.2 -2,-0.1 0.881 86.3 80.9 -49.0 -40.4 94.2 45.2 35.6 24 39 A L S < S- 0 0 98 -3,-3.1 18,-0.3 1,-0.1 2,-0.2 -0.302 97.2 -99.3 -64.3 150.7 94.7 41.5 34.6 25 40 A P - 0 0 65 0, 0.0 2,-0.4 0, 0.0 16,-0.2 -0.553 37.4-167.7 -68.0 134.5 93.5 40.1 31.3 26 41 A H E -B 40 0A 78 14,-1.5 14,-2.9 -2,-0.2 2,-0.4 -0.982 4.5-156.3-129.7 120.2 90.2 38.2 31.5 27 42 A Y E +B 39 0A 100 -2,-0.4 2,-0.3 12,-0.2 12,-0.2 -0.766 17.8 169.1-102.1 139.5 89.0 36.1 28.5 28 43 A V E -B 38 0A 38 10,-2.4 10,-2.7 -2,-0.4 2,-0.4 -0.999 31.2-128.9-149.0 143.6 85.3 35.2 27.9 29 44 A D E -B 37 0A 104 -2,-0.3 8,-0.2 8,-0.2 5,-0.1 -0.768 39.7-108.6 -89.3 136.7 83.1 33.7 25.3 30 45 A L > - 0 0 5 6,-2.2 3,-0.9 -2,-0.4 6,-0.2 -0.472 29.2-125.1 -66.7 133.2 80.0 35.7 24.4 31 46 A P T 3 S+ 0 0 99 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.832 99.1 32.2 -50.9 -45.5 76.9 33.9 25.8 32 47 A G T 3 S+ 0 0 77 2,-0.0 2,-0.3 1,-0.0 -2,-0.0 0.544 109.5 61.6 -95.7 -7.4 74.9 33.6 22.6 33 48 A R X - 0 0 33 -3,-0.9 3,-0.6 3,-0.1 2,-0.3 -0.904 67.6-121.9-134.8 151.8 77.3 33.2 19.8 34 49 A S T 3 S+ 0 0 106 -2,-0.3 3,-0.1 1,-0.2 -2,-0.0 -0.687 91.7 13.9 -91.4 138.5 80.1 31.0 18.4 35 50 A N T 3 S+ 0 0 53 -2,-0.3 2,-0.5 1,-0.2 -1,-0.2 0.824 84.5 125.1 64.2 35.5 83.6 32.4 17.8 36 51 A F < + 0 0 1 -3,-0.6 -6,-2.2 -6,-0.2 2,-0.6 -0.913 31.8 170.9-114.3 106.4 83.2 35.6 19.8 37 52 A K E -B 29 0A 38 -2,-0.5 11,-0.7 -8,-0.2 2,-0.3 -0.942 12.6-164.5-119.6 112.6 86.0 35.6 22.3 38 53 A L E -BC 28 47A 1 -10,-2.7 -10,-2.4 -2,-0.6 2,-0.5 -0.695 9.4-153.3-101.0 145.0 86.5 38.8 24.2 39 54 A M E -BC 27 46A 29 7,-2.2 2,-0.7 -2,-0.3 7,-0.6 -0.976 10.2-157.9-120.6 120.6 89.5 40.0 26.2 40 55 A Y E +BC 26 45A 21 -14,-2.9 -14,-1.5 -2,-0.5 2,-0.4 -0.881 21.9 158.8-105.4 110.8 88.9 42.4 29.1 41 56 A I E > S+ C 0 44A 35 3,-1.2 3,-2.1 -2,-0.7 -18,-0.2 -0.988 79.1 4.8-120.3 138.3 91.7 44.5 30.4 42 57 A M T 3 S- 0 0 86 -20,-1.4 -19,-0.1 -2,-0.4 -1,-0.1 0.760 130.6 -66.4 62.7 24.7 90.8 47.7 32.3 43 58 A G T 3 S+ 0 0 49 -21,-0.5 -1,-0.3 1,-0.2 -20,-0.1 0.546 106.1 131.8 74.4 6.8 87.2 46.6 32.0 44 59 A F E < -C 41 0A 41 -3,-2.1 -3,-1.2 -35,-0.0 -1,-0.2 -0.825 58.4-125.7-101.3 126.4 87.4 47.1 28.2 45 60 A P E -C 40 0A 4 0, 0.0 50,-2.1 0, 0.0 2,-0.4 -0.458 29.1-169.9 -62.6 131.0 86.1 44.6 25.7 46 61 A I E -CD 39 94A 5 -7,-0.6 -7,-2.2 48,-0.2 2,-0.5 -0.987 12.2-158.2-132.4 124.7 88.7 43.6 23.1 47 62 A D E -CD 38 93A 0 46,-3.0 46,-2.9 -2,-0.4 2,-0.4 -0.886 16.3-174.3 -99.5 126.7 88.2 41.6 20.0 48 63 A T E - D 0 92A 28 -11,-0.7 10,-2.5 -2,-0.5 2,-0.4 -0.980 7.7-166.2-126.1 137.6 91.3 39.9 18.6 49 64 A E E -eD 58 91A 3 42,-2.5 42,-2.5 -2,-0.4 2,-0.4 -0.969 4.3-174.9-124.1 137.4 91.7 37.9 15.3 50 65 A M E -eD 59 90A 57 8,-2.2 10,-0.6 -2,-0.4 40,-0.2 -0.993 26.0-151.3-134.9 126.7 94.6 35.7 14.3 51 66 A E S S+ 0 0 120 38,-2.3 -1,-0.1 -2,-0.4 39,-0.1 0.855 92.2 57.7 -57.6 -35.7 95.3 33.9 11.0 52 67 A K S S- 0 0 125 37,-0.3 2,-0.3 1,-0.1 -2,-0.2 0.019 105.6 -82.2 -80.5-170.2 97.1 31.3 13.1 53 68 A D + 0 0 138 6,-0.1 2,-0.3 2,-0.0 -1,-0.1 -0.799 49.2 166.6-101.8 145.3 95.7 29.3 16.0 54 69 A S - 0 0 32 -2,-0.3 -4,-0.1 3,-0.3 5,-0.0 -0.985 38.2-138.0-151.5 153.0 95.3 30.6 19.6 55 70 A E S S+ 0 0 141 -2,-0.3 -1,-0.1 1,-0.1 -2,-0.0 0.872 109.2 31.5 -79.0 -40.2 93.5 29.6 22.8 56 71 A Y S S+ 0 0 116 2,-0.1 2,-0.3 -29,-0.0 -8,-0.2 0.373 108.6 83.4 -97.7 1.9 92.4 33.2 23.6 57 72 A S S S- 0 0 4 -10,-0.1 -3,-0.3 -21,-0.0 2,-0.2 -0.810 72.9-117.8-115.9 153.6 92.1 34.6 20.1 58 73 A N E -e 49 0A 0 -10,-2.5 -8,-2.2 -2,-0.3 3,-0.1 -0.563 31.3-107.1 -87.1 144.2 89.3 34.5 17.4 59 74 A K E -e 50 0A 72 -2,-0.2 -8,-0.2 -10,-0.2 -1,-0.1 -0.323 54.8 -80.2 -63.9 151.5 89.6 32.9 14.0 60 75 A I - 0 0 69 -10,-0.6 2,-0.5 -8,-0.2 -1,-0.1 -0.224 48.3-130.8 -55.3 142.4 89.8 35.3 11.1 61 76 A R - 0 0 10 -3,-0.1 2,-0.2 70,-0.0 70,-0.1 -0.849 11.3-130.3-103.9 131.5 86.5 36.8 10.0 62 77 A Q - 0 0 151 -2,-0.5 70,-1.2 68,-0.3 2,-0.3 -0.529 29.5-109.1 -79.4 145.0 85.3 37.0 6.4 63 78 A E B -f 132 0A 117 -2,-0.2 70,-0.2 68,-0.2 -1,-0.1 -0.540 29.7-122.4 -83.4 130.6 84.0 40.2 5.1 64 79 A S - 0 0 14 68,-2.6 70,-0.2 -2,-0.3 -1,-0.1 -0.239 14.5-124.2 -68.1 158.7 80.3 40.7 4.4 65 80 A K + 0 0 173 2,-0.1 2,-0.2 68,-0.1 -1,-0.1 0.401 69.1 122.5 -86.7 1.1 78.9 41.6 1.0 66 81 A I - 0 0 58 1,-0.1 2,-0.3 66,-0.1 -2,-0.1 -0.461 68.2-114.7 -72.8 132.1 77.0 44.7 2.2 67 82 A S > - 0 0 50 -2,-0.2 4,-2.0 1,-0.2 -1,-0.1 -0.484 14.2-154.2 -72.4 127.4 78.0 48.0 0.5 68 83 A K T 4 S+ 0 0 74 -2,-0.3 76,-0.2 1,-0.2 -1,-0.2 0.769 97.0 37.3 -69.7 -31.4 79.7 50.5 2.9 69 84 A T T 4 S+ 0 0 81 74,-0.1 -1,-0.2 75,-0.0 -2,-0.1 0.845 132.9 20.7 -81.7 -47.8 78.5 53.4 0.6 70 85 A E T 4 S+ 0 0 163 2,-0.0 -2,-0.2 77,-0.0 -4,-0.0 0.675 103.7 93.3 -96.2 -12.9 75.0 52.2 -0.5 71 86 A G < - 0 0 14 -4,-2.0 2,-0.3 1,-0.1 76,-0.1 0.060 51.3-137.3 -98.8-176.8 73.9 49.6 2.0 72 87 A T - 0 0 36 1,-0.1 3,-0.1 75,-0.1 73,-0.1 -0.983 23.3-164.0-144.8 148.9 72.0 48.9 5.2 73 88 A V > + 0 0 4 -2,-0.3 3,-1.9 71,-0.3 29,-0.1 0.064 56.7 131.5 -96.5 9.4 71.9 47.1 8.5 74 89 A S T 3 + 0 0 9 1,-0.3 -1,-0.1 28,-0.0 28,-0.1 0.750 67.3 37.4 -45.7 -47.1 68.1 47.8 8.6 75 90 A Y T 3 S+ 0 0 27 -3,-0.1 -1,-0.3 152,-0.0 2,-0.2 0.391 89.3 109.2 -97.9 4.0 66.6 44.4 9.5 76 91 A E < - 0 0 68 -3,-1.9 26,-0.2 1,-0.1 3,-0.1 -0.551 61.0-145.6 -67.4 142.9 69.3 43.2 11.9 77 92 A Q S S+ 0 0 85 1,-0.3 2,-0.3 -2,-0.2 25,-0.3 0.985 76.3 0.7 -77.2 -64.0 68.3 43.1 15.5 78 93 A K - 0 0 84 23,-0.1 50,-0.4 24,-0.1 2,-0.3 -0.884 68.1-165.6-120.2 157.4 71.5 44.0 17.2 79 94 A I E -G 100 0A 1 21,-2.5 21,-1.9 -2,-0.3 2,-0.4 -0.920 14.3-131.4-133.2 162.5 74.9 44.9 15.7 80 95 A T E - H 0 126A 0 46,-1.6 46,-2.3 -2,-0.3 2,-0.4 -0.942 15.6-160.4-116.8 145.1 78.5 45.2 17.1 81 96 A V E +GH 97 125A 0 16,-3.0 15,-2.0 -2,-0.4 16,-1.7 -0.977 13.2 175.2-125.6 133.2 80.8 48.2 16.5 82 97 A E E -GH 95 124A 0 42,-2.6 42,-2.6 -2,-0.4 2,-0.3 -0.978 17.2-160.0-136.9 147.6 84.6 48.1 16.9 83 98 A T E +GH 94 123A 2 11,-2.1 11,-1.5 -2,-0.3 2,-0.3 -0.902 40.7 98.4-116.2 155.7 87.6 50.4 16.3 84 99 A G E -GH 93 122A 2 38,-1.6 38,-1.9 -2,-0.3 2,-0.3 -0.987 57.7 -67.4 167.5-156.4 91.1 49.1 16.0 85 100 A Q E -G 92 0A 59 7,-2.5 7,-2.8 -2,-0.3 2,-0.4 -0.924 25.8-161.3-136.7 157.9 94.0 48.2 13.8 86 101 A E E +G 91 0A 81 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.999 14.0 163.5-142.8 131.4 94.9 45.4 11.3 87 102 A K E > -G 90 0A 167 3,-2.6 3,-2.7 -2,-0.4 -2,-0.0 -0.965 61.7 -55.5-150.9 150.1 98.2 44.2 9.9 88 103 A D T 3 S- 0 0 150 -2,-0.3 3,-0.0 1,-0.3 -2,-0.0 0.285 122.4 -4.2 -49.3 128.3 98.7 40.9 8.1 89 104 A G T 3 S+ 0 0 17 1,-0.1 -38,-2.3 -39,-0.1 2,-0.4 0.019 121.4 81.2 88.8 -23.5 97.5 37.9 10.2 90 105 A V E < +DG 50 87A 71 -3,-2.7 -3,-2.6 -40,-0.2 2,-0.4 -0.953 49.3 176.0-126.7 125.5 96.7 40.1 13.2 91 106 A K E -DG 49 86A 27 -42,-2.5 -42,-2.5 -2,-0.4 2,-0.4 -0.993 3.5-176.4-127.3 132.7 93.7 42.2 14.0 92 107 A V E +DG 48 85A 41 -7,-2.8 -7,-2.5 -2,-0.4 2,-0.4 -0.952 9.8 170.1-132.3 115.9 93.0 44.1 17.3 93 108 A Y E -DG 47 84A 1 -46,-2.9 -46,-3.0 -2,-0.4 -9,-0.3 -0.964 27.1-141.7-131.9 117.5 89.7 46.0 17.8 94 109 A R E -DG 46 83A 2 -11,-1.5 -11,-2.1 -2,-0.4 2,-0.7 -0.488 30.4-122.2 -62.5 143.4 88.3 47.6 20.9 95 110 A V E + G 0 82A 0 -50,-2.1 -13,-0.3 -13,-0.2 3,-0.2 -0.841 32.9 175.1 -93.5 112.4 84.5 47.0 21.1 96 111 A M E S+ 0 0 0 -15,-2.0 -85,-2.3 -2,-0.7 2,-0.4 0.869 76.4 17.3 -81.7 -42.8 82.7 50.4 21.2 97 112 A V E S-aG 11 81A 0 -16,-1.7 -16,-3.0 -87,-0.2 2,-0.6 -0.996 71.0-159.0-132.5 127.2 79.2 48.9 21.1 98 113 A L E S-a 12 0A 2 -87,-2.3 -85,-0.8 -2,-0.4 -84,-0.3 -0.920 72.7 -30.5-111.3 111.7 78.4 45.3 21.8 99 114 A E E S+ 0 0 66 -2,-0.6 -19,-0.2 27,-0.2 2,-0.2 0.905 94.1 150.7 48.6 52.4 75.2 43.9 20.4 100 115 A G E - G 0 79A 2 -21,-1.9 -21,-2.5 1,-0.1 -1,-0.2 -0.649 48.6 -96.1-103.5 168.9 73.3 47.2 20.5 101 116 A T > - 0 0 42 -2,-0.2 4,-2.2 -23,-0.2 5,-0.2 -0.308 36.1-108.5 -73.8 161.6 70.5 48.6 18.4 102 117 A I H > S+ 0 0 12 -25,-0.3 4,-2.6 -26,-0.2 5,-0.2 0.951 120.0 49.9 -56.4 -51.1 71.2 51.0 15.5 103 118 A A H > S+ 0 0 57 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.943 111.2 49.9 -52.8 -50.8 69.7 54.0 17.4 104 119 A E H > S+ 0 0 80 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.893 112.1 46.9 -50.1 -49.8 71.9 53.2 20.4 105 120 A S H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.886 108.9 56.2 -64.7 -40.3 75.0 52.9 18.3 106 121 A I H < S+ 0 0 25 -4,-2.6 4,-0.3 1,-0.2 -2,-0.2 0.952 113.4 38.9 -57.4 -52.4 74.2 56.2 16.5 107 122 A E H >< S+ 0 0 122 -4,-2.5 3,-1.0 1,-0.2 4,-0.3 0.880 114.4 54.6 -65.8 -37.1 74.0 58.1 19.8 108 123 A H H >< S+ 0 0 5 -4,-2.4 3,-1.1 1,-0.3 6,-0.2 0.883 105.6 51.2 -68.5 -38.3 77.0 56.3 21.4 109 124 A L T 3< S+ 0 0 3 -4,-2.5 -1,-0.3 1,-0.2 -2,-0.2 0.504 102.2 64.1 -74.7 -6.2 79.4 57.1 18.5 110 125 A D T < S+ 0 0 66 -3,-1.0 2,-0.3 -4,-0.3 -1,-0.2 0.485 72.6 113.6 -95.9 -3.7 78.4 60.8 18.8 111 126 A K X> - 0 0 75 -3,-1.1 3,-1.3 -4,-0.3 4,-1.2 -0.542 68.3-137.3 -70.4 126.9 79.8 61.2 22.3 112 127 A K H 3> S+ 0 0 178 -2,-0.3 4,-0.7 1,-0.3 -1,-0.1 0.800 101.1 62.1 -57.3 -31.3 82.8 63.6 22.1 113 128 A E H 34 S+ 0 0 106 1,-0.2 4,-0.4 2,-0.2 3,-0.3 0.809 106.1 45.0 -65.2 -32.1 84.8 61.3 24.5 114 129 A N H <> S+ 0 0 0 -3,-1.3 4,-1.7 -6,-0.2 -1,-0.2 0.705 93.1 87.8 -79.0 -19.9 84.7 58.5 22.0 115 130 A E H X S+ 0 0 106 -4,-1.2 4,-1.4 1,-0.2 5,-0.2 0.868 84.4 52.2 -47.7 -46.3 85.5 61.1 19.3 116 131 A D H >X S+ 0 0 85 -4,-0.7 4,-0.9 -3,-0.3 3,-0.5 0.951 109.2 45.6 -58.0 -52.5 89.3 60.6 19.9 117 132 A I H 34 S+ 0 0 2 -4,-0.4 4,-0.2 1,-0.2 -1,-0.2 0.788 112.3 53.2 -67.5 -25.7 89.4 56.8 19.5 118 133 A L H 3< S+ 0 0 4 -4,-1.7 20,-0.4 -3,-0.2 3,-0.3 0.756 105.2 48.7 -80.0 -32.7 87.2 56.8 16.4 119 134 A N H << S+ 0 0 97 -4,-1.4 -1,-0.2 -3,-0.5 -2,-0.2 0.635 112.1 51.6 -84.6 -15.9 89.1 59.3 14.1 120 135 A N S < S+ 0 0 74 -4,-0.9 2,-0.3 -5,-0.2 -1,-0.2 0.427 108.6 50.0 -99.2 -1.5 92.4 57.6 14.8 121 136 A N S S- 0 0 14 -3,-0.3 2,-0.3 -4,-0.2 17,-0.2 -0.921 86.8 -93.0-137.2 161.3 91.5 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0.755 127.6 -3.3-100.9 -78.7 49.4 48.0 14.4 182 197 A G S S+ 0 0 25 -4,-0.1 -2,-0.1 2,-0.0 37,-0.1 0.995 93.0 132.0 -63.1 -51.5 49.9 44.3 14.2 183 198 A H - 0 0 30 -5,-0.2 -4,-2.5 32,-0.2 2,-0.4 0.379 36.3-165.7 -61.4 122.8 50.0 43.3 17.8 184 199 A L E -K 178 0B 72 -6,-0.2 -6,-0.2 1,-0.2 -1,-0.1 -0.664 3.7-175.4 -85.5 126.4 48.1 40.4 19.3 185 200 A L E - 0 0 19 -8,-2.0 2,-0.3 -2,-0.4 -1,-0.2 0.910 63.6 -19.8 -82.5 -59.6 47.9 40.5 23.1 186 201 A T E -K 177 0B 10 -9,-0.9 -9,-0.6 2,-0.1 -1,-0.3 -0.994 39.7-138.2-152.8 148.8 46.2 37.2 23.9 187 202 A K S S+ 0 0 85 -2,-0.3 341,-0.1 -11,-0.1 340,-0.1 0.473 75.0 111.3 -88.3 -0.2 43.9 34.6 22.2 188 203 A S S S- 0 0 5 2,-0.1 -11,-0.3 1,-0.1 6,-0.1 -0.520 75.3-129.2 -74.2 138.2 41.9 34.5 25.5 189 204 A P S S+ 0 0 71 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 0.550 78.2 103.9 -57.2 -13.6 38.3 35.9 25.6 190 205 A S > - 0 0 28 1,-0.1 4,-1.9 2,-0.0 3,-0.3 -0.649 57.9-159.0 -85.4 127.3 39.1 38.0 28.7 191 206 A L H > S+ 0 0 71 -2,-0.5 4,-2.8 1,-0.2 5,-0.2 0.848 98.9 54.5 -65.2 -31.4 39.7 41.7 28.5 192 207 A N H > S+ 0 0 124 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.782 105.5 53.2 -69.8 -25.5 41.6 41.6 31.8 193 208 A A H > S+ 0 0 23 -3,-0.3 4,-2.4 2,-0.2 -2,-0.2 0.890 110.9 46.5 -74.5 -39.9 43.8 38.9 30.2 194 209 A A H X S+ 0 0 0 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.948 114.5 46.7 -61.2 -51.7 44.5 41.3 27.4 195 210 A K H X S+ 0 0 71 -4,-2.8 4,-2.3 1,-0.2 11,-0.2 0.891 113.0 49.0 -60.7 -42.6 45.2 44.3 29.7 196 211 A S H X S+ 0 0 72 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.930 110.8 49.9 -66.4 -44.1 47.4 42.2 31.9 197 212 A E H X S+ 0 0 49 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.896 111.6 50.3 -55.3 -44.2 49.4 40.9 28.8 198 213 A L H X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 5,-0.3 0.878 108.8 50.4 -63.2 -41.9 49.8 44.5 27.6 199 214 A D H X>S+ 0 0 44 -4,-2.3 4,-3.1 2,-0.2 5,-0.7 0.914 110.9 50.4 -63.3 -42.3 51.0 45.7 31.0 200 215 A K H <5S+ 0 0 167 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.901 113.0 45.3 -61.1 -42.4 53.6 42.8 31.0 201 216 A A H <5S+ 0 0 37 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.873 123.5 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-63.5 -37.4 56.3 55.1 21.0 214 229 A E H > S+ 0 0 30 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.949 109.7 52.3 -66.8 -47.9 55.2 51.9 22.8 215 230 A A H X S+ 0 0 1 -4,-1.9 4,-2.0 1,-0.3 -34,-0.3 0.817 108.6 53.4 -53.7 -33.3 53.2 50.8 19.7 216 231 A E H X S+ 0 0 36 -4,-1.8 4,-2.2 2,-0.2 -1,-0.3 0.893 106.1 50.9 -72.4 -39.7 56.4 51.4 17.8 217 232 A K H X S+ 0 0 107 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.975 112.8 46.2 -56.0 -54.8 58.3 49.2 20.1 218 233 A L H X S+ 0 0 2 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.870 109.9 54.8 -53.7 -42.9 55.7 46.4 19.7 219 234 A F H X S+ 0 0 2 -4,-2.0 4,-2.4 -5,-0.2 -1,-0.2 0.911 104.1 54.5 -63.7 -39.2 55.7 46.9 16.0 220 235 A N H X S+ 0 0 43 -4,-2.2 4,-2.2 1,-0.3 -1,-0.2 0.921 105.1 52.1 -66.4 -37.0 59.5 46.4 15.8 221 236 A Q H X S+ 0 0 87 -4,-2.0 4,-2.0 1,-0.2 -1,-0.3 0.938 110.4 51.3 -56.4 -43.2 59.2 43.1 17.6 222 237 A D H X S+ 0 0 36 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.879 104.7 53.8 -63.1 -40.1 56.6 42.2 14.9 223 238 A V H X S+ 0 0 9 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.908 110.3 50.1 -61.5 -38.0 58.9 43.2 12.0 224 239 A D H X S+ 0 0 21 -4,-2.2 4,-2.4 -5,-0.2 -2,-0.2 0.896 107.9 50.0 -68.8 -38.4 61.5 40.8 13.5 225 240 A A H X S+ 0 0 45 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.938 113.2 48.9 -64.3 -40.1 59.1 37.9 13.8 226 241 A A H X S+ 0 0 10 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.927 111.1 47.6 -63.0 -47.1 58.1 38.5 10.1 227 242 A V H X S+ 0 0 11 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.887 110.3 53.9 -62.2 -35.3 61.7 38.7 8.9 228 243 A R H X S+ 0 0 139 -4,-2.4 4,-0.6 -5,-0.2 -1,-0.2 0.885 113.1 43.0 -66.9 -34.3 62.5 35.5 10.8 229 244 A G H X S+ 0 0 2 -4,-1.9 4,-0.5 2,-0.2 -2,-0.2 0.833 109.7 56.4 -79.4 -32.4 59.6 33.8 9.1 230 245 A I H >< S+ 0 0 0 -4,-2.5 3,-1.3 1,-0.2 7,-0.5 0.935 107.8 48.0 -61.9 -45.8 60.3 35.1 5.7 231 246 A L H 3< S+ 0 0 65 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.687 107.7 56.8 -74.6 -15.1 63.9 33.7 5.7 232 247 A R H 3< S+ 0 0 192 -4,-0.6 2,-0.6 -5,-0.2 -1,-0.3 0.608 91.1 85.5 -81.6 -11.3 62.5 30.4 6.9 233 248 A N XX - 0 0 41 -3,-1.3 4,-2.9 -4,-0.5 3,-0.6 -0.816 68.8-151.0-104.7 116.1 60.3 30.1 3.9 234 249 A A T 34 S+ 0 0 81 -2,-0.6 -1,-0.1 1,-0.2 -4,-0.0 0.691 97.6 51.1 -58.9 -22.4 61.9 28.6 0.8 235 250 A K T 34 S+ 0 0 143 2,-0.1 4,-0.4 3,-0.1 -1,-0.2 0.786 118.2 33.6 -81.9 -37.1 59.5 30.6 -1.4 236 251 A L T <> S+ 0 0 0 -3,-0.6 4,-2.7 -6,-0.3 3,-0.3 0.842 103.3 72.2 -84.9 -41.3 60.0 34.0 0.2 237 252 A K H X S+ 0 0 86 -4,-2.9 4,-3.3 -7,-0.5 5,-0.3 0.889 95.3 48.8 -49.7 -53.7 63.7 33.9 1.2 238 253 A P H > S+ 0 0 53 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.916 115.9 45.6 -56.3 -41.2 65.3 34.1 -2.3 239 254 A V H > S+ 0 0 3 -4,-0.4 4,-1.0 -3,-0.3 -2,-0.2 0.921 114.7 46.3 -63.6 -45.9 63.1 37.2 -3.2 240 255 A Y H >< S+ 0 0 7 -4,-2.7 3,-0.9 1,-0.2 -1,-0.2 0.942 110.5 53.6 -66.4 -44.5 63.7 38.9 0.1 241 256 A D H 3< S+ 0 0 74 -4,-3.3 -1,-0.2 -5,-0.3 -2,-0.2 0.907 110.1 48.8 -53.8 -43.4 67.5 38.2 -0.1 242 257 A S H 3< S+ 0 0 38 -4,-2.0 -1,-0.2 -5,-0.3 -2,-0.2 0.665 94.6 92.1 -73.2 -19.4 67.5 39.9 -3.6 243 258 A L S << S- 0 0 6 -4,-1.0 31,-0.0 -3,-0.9 2,-0.0 -0.511 72.5-125.5 -83.7 147.3 65.6 43.0 -2.6 244 259 A D > - 0 0 62 -2,-0.2 4,-2.4 1,-0.0 5,-0.2 -0.213 43.7 -89.5 -72.5 176.9 67.1 46.4 -1.4 245 260 A A H > S+ 0 0 10 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.894 122.6 47.1 -68.7 -43.7 65.8 47.8 1.9 246 261 A V H > S+ 0 0 16 62,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.953 114.1 48.9 -58.3 -49.6 62.8 49.9 0.7 247 262 A R H > S+ 0 0 27 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.932 106.8 55.3 -59.6 -39.8 61.6 47.1 -1.4 248 263 A R H X S+ 0 0 56 -4,-2.4 4,-2.9 1,-0.2 5,-0.2 0.910 102.6 58.7 -57.5 -39.5 61.9 44.6 1.5 249 264 A A H X S+ 0 0 0 -4,-1.9 4,-2.6 1,-0.2 -1,-0.2 0.929 105.7 47.6 -55.2 -45.8 59.7 47.0 3.4 250 265 A A H X S+ 0 0 0 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.900 111.3 51.3 -62.3 -36.3 57.0 46.5 0.7 251 266 A L H X S+ 0 0 0 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.927 111.5 46.3 -64.9 -44.8 57.5 42.8 0.9 252 267 A I H X S+ 0 0 0 -4,-2.9 4,-2.7 2,-0.2 -2,-0.2 0.882 107.2 58.6 -60.9 -42.1 57.1 42.8 4.7 253 268 A N H X S+ 0 0 0 -4,-2.6 4,-2.2 -5,-0.2 -2,-0.2 0.957 107.9 46.9 -50.6 -53.4 54.0 45.1 4.4 254 269 A M H X S+ 0 0 3 -4,-2.3 4,-2.6 1,-0.2 5,-0.3 0.865 111.1 50.9 -61.4 -38.7 52.4 42.3 2.2 255 270 A V H X S+ 0 0 11 -4,-1.9 4,-2.2 1,-0.2 -1,-0.2 0.895 108.0 52.8 -64.5 -39.3 53.4 39.7 4.7 256 271 A F H < S+ 0 0 39 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.894 116.8 39.9 -61.7 -41.8 51.9 41.7 7.6 257 272 A Q H < S+ 0 0 51 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.870 133.0 16.2 -75.2 -48.5 48.6 42.0 5.6 258 273 A M H < S- 0 0 58 -4,-2.6 4,-0.5 -5,-0.2 -3,-0.2 0.440 102.7-110.9-104.4 -5.7 48.2 38.5 4.1 259 274 A G >X - 0 0 32 -4,-2.2 4,-2.6 -5,-0.3 3,-0.5 0.105 36.3 -79.5 86.1 152.7 50.6 36.1 5.9 260 275 A E H 3> S+ 0 0 51 1,-0.2 4,-1.7 2,-0.2 -1,-0.1 0.909 132.8 52.4 -48.5 -43.4 53.7 34.3 4.8 261 276 A T H 3> S+ 0 0 123 2,-0.2 4,-0.8 1,-0.2 -1,-0.2 0.771 107.6 49.8 -71.1 -30.7 51.5 31.8 3.0 262 277 A G H X4 S+ 0 0 25 -3,-0.5 3,-0.7 -4,-0.5 4,-0.3 0.913 111.4 47.8 -74.8 -45.2 49.5 34.4 1.2 263 278 A V H >< S+ 0 0 0 -4,-2.6 3,-1.8 1,-0.3 -2,-0.2 0.857 104.4 61.1 -67.0 -27.1 52.5 36.2 -0.1 264 279 A A H 3< S+ 0 0 18 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.817 93.3 67.9 -73.0 -26.4 54.1 32.9 -1.2 265 280 A G T << S+ 0 0 57 -4,-0.8 2,-1.6 -3,-0.7 -1,-0.3 0.600 77.0 80.9 -63.3 -11.7 51.1 32.4 -3.5 266 281 A F <> + 0 0 36 -3,-1.8 4,-1.8 -4,-0.3 -1,-0.2 -0.523 59.4 160.3 -97.4 93.2 52.1 35.2 -5.8 267 282 A T H > + 0 0 84 -2,-1.6 4,-2.3 1,-0.2 -1,-0.2 0.933 65.9 40.7 -81.1 -48.1 54.5 33.1 -7.5 268 283 A N H > S+ 0 0 76 -3,-0.3 4,-2.4 1,-0.2 -1,-0.2 0.833 113.0 53.8 -70.2 -34.8 55.0 34.9 -10.8 269 284 A S H > S+ 0 0 3 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.870 110.8 48.3 -69.2 -37.5 55.1 38.4 -9.2 270 285 A L H X S+ 0 0 11 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.898 110.2 49.9 -67.8 -44.9 57.8 37.2 -6.9 271 286 A R H X S+ 0 0 97 -4,-2.3 4,-1.6 1,-0.2 -2,-0.2 0.940 111.7 50.4 -59.1 -42.4 59.9 35.7 -9.7 272 287 A M H <>S+ 0 0 20 -4,-2.4 5,-2.4 1,-0.2 -2,-0.2 0.889 110.1 49.7 -60.7 -40.6 59.5 39.0 -11.5 273 288 A L H ><5S+ 0 0 3 -4,-1.9 3,-1.2 1,-0.2 -1,-0.2 0.895 109.4 51.0 -63.4 -41.3 60.6 40.9 -8.5 274 289 A Q H 3<5S+ 0 0 82 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.752 108.7 51.4 -69.5 -26.4 63.7 38.7 -8.1 275 290 A Q T 3<5S- 0 0 101 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.338 115.3-119.7 -89.6 5.7 64.6 39.2 -11.7 276 291 A K T < 5 + 0 0 109 -3,-1.2 2,-1.3 1,-0.2 -3,-0.2 0.701 66.5 143.2 62.6 24.6 64.3 43.0 -11.1 277 292 A R >< + 0 0 82 -5,-2.4 4,-2.0 -6,-0.2 -1,-0.2 -0.702 21.0 170.7 -93.6 99.3 61.5 43.4 -13.6 278 293 A W H > + 0 0 49 -2,-1.3 4,-2.7 1,-0.2 -1,-0.2 0.839 66.8 50.0 -82.8 -39.2 59.6 45.9 -11.7 279 294 A D H > S+ 0 0 111 2,-0.2 4,-2.5 -3,-0.2 -1,-0.2 0.874 113.6 47.2 -72.2 -35.1 57.0 47.1 -14.1 280 295 A E H > S+ 0 0 92 2,-0.2 4,-3.1 1,-0.2 5,-0.3 0.975 111.3 50.4 -66.9 -54.1 55.9 43.5 -15.0 281 296 A A H X S+ 0 0 0 -4,-2.0 4,-2.9 1,-0.2 5,-0.2 0.928 112.1 50.0 -46.7 -51.9 55.8 42.6 -11.3 282 297 A A H X S+ 0 0 8 -4,-2.7 4,-2.1 2,-0.2 -1,-0.2 0.914 111.7 46.1 -51.9 -52.4 53.6 45.7 -10.8 283 298 A V H < S+ 0 0 106 -4,-2.5 4,-0.4 2,-0.2 -2,-0.2 0.956 115.3 47.0 -57.2 -51.7 51.2 44.8 -13.7 284 299 A N H >< S+ 0 0 30 -4,-3.1 3,-1.2 1,-0.2 4,-0.3 0.875 109.8 52.9 -55.6 -46.5 50.9 41.2 -12.5 285 300 A L H >< S+ 0 0 3 -4,-2.9 3,-1.4 -5,-0.3 6,-0.4 0.855 101.1 61.9 -59.2 -38.1 50.4 42.2 -8.9 286 301 A A T 3< S+ 0 0 35 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.636 90.6 70.8 -66.5 -11.1 47.5 44.5 -10.0 287 302 A K T < S+ 0 0 150 -3,-1.2 -1,-0.2 -4,-0.4 -2,-0.2 0.743 81.0 96.9 -72.4 -20.6 45.7 41.4 -11.4 288 303 A S S <> S- 0 0 29 -3,-1.4 4,-0.9 -4,-0.3 3,-0.4 -0.203 83.6-120.3 -77.1 157.0 44.8 40.0 -7.9 289 304 A R H >> S+ 0 0 182 1,-0.2 4,-1.9 2,-0.2 3,-0.7 0.863 113.9 70.9 -57.8 -28.6 41.7 40.2 -5.8 290 305 A W H >> S+ 0 0 19 1,-0.2 4,-2.2 2,-0.2 3,-0.7 0.935 94.3 50.1 -48.1 -55.8 44.1 41.9 -3.3 291 306 A Y H 34 S+ 0 0 64 -6,-0.4 -1,-0.2 -3,-0.4 -2,-0.2 0.743 113.5 47.5 -55.6 -30.6 44.4 45.0 -5.6 292 307 A N H << S+ 0 0 119 -4,-0.9 -1,-0.3 -3,-0.7 -2,-0.2 0.771 111.9 47.4 -80.9 -34.5 40.6 45.2 -5.7 293 308 A Q H << S+ 0 0 102 -4,-1.9 -2,-0.2 -3,-0.7 -3,-0.1 0.845 129.3 18.1 -81.6 -43.8 39.9 44.8 -2.0 294 309 A T S X S+ 0 0 50 -4,-2.2 4,-2.5 -5,-0.2 -1,-0.2 -0.634 77.7 164.7-123.2 75.2 42.4 47.2 -0.5 295 310 A P H > + 0 0 48 0, 0.0 4,-2.4 0, 0.0 5,-0.1 0.807 69.7 51.3 -67.4 -33.3 43.2 49.3 -3.6 296 311 A N H > S+ 0 0 110 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.943 115.5 42.2 -68.0 -47.0 44.9 52.3 -1.9 297 312 A R H > S+ 0 0 22 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.875 115.1 49.2 -67.3 -41.5 47.2 50.2 0.1 298 313 A A H X S+ 0 0 0 -4,-2.5 4,-3.3 2,-0.2 5,-0.2 0.944 110.1 53.0 -65.6 -42.9 47.9 47.9 -2.9 299 314 A K H X S+ 0 0 100 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.926 112.6 43.1 -59.1 -48.0 48.6 50.9 -5.1 300 315 A R H X S+ 0 0 56 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.906 114.5 49.9 -62.8 -41.6 51.1 52.4 -2.7 301 316 A V H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 3,-0.2 0.976 114.0 46.0 -62.8 -48.2 52.8 49.0 -2.1 302 317 A I H X S+ 0 0 10 -4,-3.3 4,-2.4 1,-0.2 -2,-0.2 0.877 109.4 53.0 -59.8 -42.4 53.0 48.4 -5.8 303 318 A T H X S+ 0 0 34 -4,-2.5 4,-2.5 -5,-0.2 6,-0.3 0.868 110.2 51.0 -59.1 -37.2 54.4 51.9 -6.5 304 319 A T H X S+ 0 0 0 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.923 109.8 47.8 -67.7 -46.8 57.0 51.1 -3.8 305 320 A F H < S+ 0 0 0 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.890 115.2 48.5 -56.4 -39.0 57.9 47.8 -5.5 306 321 A R H < S+ 0 0 99 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.889 122.4 26.6 -74.9 -44.7 58.1 49.7 -8.8 307 322 A T H < S- 0 0 51 -4,-2.5 -2,-0.2 2,-0.2 -1,-0.2 0.596 85.0-134.7 -94.1 -14.9 60.3 52.7 -7.8 308 323 A G S < S+ 0 0 15 -4,-2.0 -62,-0.2 1,-0.3 2,-0.2 0.571 74.8 101.8 63.7 8.8 62.4 51.5 -4.9 309 324 A T S S- 0 0 50 -6,-0.3 3,-0.3 -5,-0.2 -1,-0.3 -0.678 83.9-116.1-117.0 177.4 61.5 54.8 -3.2 310 325 A W S >> S+ 0 0 23 -2,-0.2 3,-2.2 1,-0.2 4,-2.1 0.251 70.0 124.8 -90.7 8.8 59.2 56.2 -0.6 311 326 A D T 34 + 0 0 102 1,-0.3 4,-0.4 2,-0.2 -1,-0.2 0.723 68.8 53.1 -47.8 -33.5 57.2 58.4 -3.0 312 327 A A T 34 S+ 0 0 25 -3,-0.3 -1,-0.3 -12,-0.2 -2,-0.1 0.767 122.5 30.7 -74.8 -28.3 53.8 56.9 -2.2 313 328 A Y T X> S+ 0 0 0 -3,-2.2 3,-2.1 -13,-0.1 4,-0.7 0.684 91.6 96.9 -98.8 -14.5 54.3 57.6 1.4 314 329 A K G >< S+ 0 0 129 -4,-2.1 3,-0.9 1,-0.3 -3,-0.1 0.790 86.4 44.0 -50.2 -49.5 56.6 60.7 1.5 315 330 A N G 34 S+ 0 0 170 -4,-0.4 -1,-0.3 1,-0.2 -2,-0.1 0.699 112.8 54.8 -70.9 -16.9 54.0 63.5 2.0 316 331 A L G X4 S+ 0 0 72 -3,-2.1 3,-0.7 -4,-0.1 -1,-0.2 0.543 82.7 119.8 -93.7 -10.2 52.1 61.4 4.6 317 332 A F T << + 0 0 38 -3,-0.9 -163,-0.1 -4,-0.7 -3,-0.0 -0.039 69.8 16.9 -66.4 159.1 55.0 60.8 7.0 318 333 A E T 3 0 0 174 1,-0.2 -1,-0.2 -164,-0.1 -164,-0.0 0.665 360.0 360.0 57.7 24.1 55.3 61.8 10.6 319 334 A H < 0 0 172 -3,-0.7 -1,-0.2 -162,-0.0 -2,-0.1 -0.312 360.0 360.0 -79.5 360.0 51.6 62.3 10.7 320 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 321 11 B G 0 0 82 0, 0.0 84,-0.3 0, 0.0 4,-0.0 0.000 360.0 360.0 360.0 -14.1 -3.8 25.3 46.5 322 12 B G + 0 0 57 1,-0.2 84,-0.1 82,-0.1 82,-0.1 0.870 360.0 29.8 -79.7 -41.7 -5.2 22.6 44.2 323 13 B V S S- 0 0 117 82,-0.1 -1,-0.2 80,-0.1 2,-0.1 -0.964 84.7-113.0-124.4 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0.856 106.1 53.0 -67.0 -33.2 36.5 27.6 38.1 536 232 B K H X S+ 0 0 100 -4,-1.7 4,-2.0 2,-0.2 -2,-0.2 0.950 111.1 47.3 -64.9 -48.3 34.3 25.2 36.1 537 233 B L H X S+ 0 0 1 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.946 110.4 52.5 -50.9 -53.8 37.2 22.7 35.9 538 234 B F H X S+ 0 0 4 -4,-2.8 4,-2.8 1,-0.2 -2,-0.2 0.869 106.1 53.1 -57.1 -41.5 37.8 23.1 39.7 539 235 B N H X S+ 0 0 41 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.902 106.6 53.1 -61.6 -38.9 34.2 22.4 40.5 540 236 B Q H X S+ 0 0 86 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.981 112.0 45.4 -56.0 -51.7 34.5 19.2 38.5 541 237 B D H X S+ 0 0 47 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.868 111.2 51.7 -56.9 -42.9 37.6 18.3 40.6 542 238 B V H X S+ 0 0 3 -4,-2.8 4,-2.5 2,-0.2 -1,-0.2 0.902 109.2 51.7 -61.5 -43.2 35.9 19.3 44.0 543 239 B D H X S+ 0 0 36 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.916 108.6 50.2 -61.5 -44.8 32.9 17.1 43.1 544 240 B A H X S+ 0 0 43 -4,-2.3 4,-2.2 -5,-0.2 -2,-0.2 0.963 110.6 50.9 -53.0 -49.6 35.3 14.2 42.3 545 241 B A H X S+ 0 0 12 -4,-2.5 4,-2.9 1,-0.2 -2,-0.2 0.896 109.4 49.1 -58.8 -44.8 36.9 14.7 45.7 546 242 B V H X S+ 0 0 8 -4,-2.5 4,-2.8 2,-0.2 -1,-0.2 0.920 108.2 53.0 -64.4 -40.7 33.6 14.7 47.6 547 243 B R H X S+ 0 0 125 -4,-2.4 4,-1.7 2,-0.2 -1,-0.2 0.901 112.4 47.4 -59.5 -38.4 32.4 11.5 45.9 548 244 B G H X S+ 0 0 2 -4,-2.2 4,-1.1 -5,-0.2 3,-0.5 0.972 109.7 51.2 -61.3 -56.0 35.8 10.0 47.1 549 245 B I H >< S+ 0 0 0 -4,-2.9 3,-1.1 1,-0.3 7,-0.3 0.911 111.3 49.2 -49.6 -45.7 35.4 11.3 50.6 550 246 B L H 3< S+ 0 0 67 -4,-2.8 -1,-0.3 1,-0.3 -2,-0.2 0.832 109.4 50.5 -69.3 -32.8 31.9 9.8 50.8 551 247 B R H 3< S+ 0 0 187 -4,-1.7 2,-0.5 -3,-0.5 -1,-0.3 0.565 94.9 88.4 -78.1 -7.2 33.1 6.4 49.5 552 248 B N S+ 0 0 0 -3,-0.4 4,-2.8 -6,-0.3 3,-0.3 0.722 100.5 74.2 -88.2 -34.8 36.6 10.3 55.9 556 252 B K H X S+ 0 0 86 -4,-2.1 4,-3.1 -7,-0.3 5,-0.2 0.880 94.3 49.5 -61.8 -44.6 32.9 10.0 55.5 557 253 B P H > S+ 0 0 49 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.876 114.3 46.8 -57.8 -40.4 31.9 10.4 59.2 558 254 B V H > S+ 0 0 3 -3,-0.3 4,-1.2 2,-0.2 3,-0.3 0.971 112.8 47.9 -68.4 -50.8 34.0 13.4 59.7 559 255 B Y H >< S+ 0 0 10 -4,-2.8 3,-1.1 1,-0.2 -1,-0.2 0.944 111.4 51.5 -54.4 -49.9 32.8 15.0 56.5 560 256 B D H 3< S+ 0 0 78 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.871 111.6 48.2 -52.6 -38.2 29.2 14.3 57.5 561 257 B S H 3< S+ 0 0 36 -4,-1.7 -1,-0.3 -3,-0.3 2,-0.2 0.666 97.3 90.9 -80.2 -17.3 29.8 15.9 60.9 562 258 B L S << S- 0 0 6 -4,-1.2 2,-0.1 -3,-1.1 31,-0.0 -0.541 71.8-125.7 -89.2 143.5 31.5 19.0 59.5 563 259 B D > - 0 0 64 -2,-0.2 4,-2.3 1,-0.1 5,-0.2 -0.250 42.4 -91.2 -72.6 174.6 29.9 22.4 58.6 564 260 B A H > S+ 0 0 16 1,-0.2 4,-1.5 2,-0.2 5,-0.1 0.843 121.9 46.6 -67.1 -41.8 30.6 23.9 55.1 565 261 B V H > S+ 0 0 19 2,-0.2 4,-1.7 62,-0.2 3,-0.4 0.953 113.9 48.9 -63.4 -49.1 33.7 26.0 55.8 566 262 B R H > S+ 0 0 29 1,-0.3 4,-2.1 2,-0.2 -2,-0.2 0.878 107.8 55.0 -61.1 -33.9 35.3 23.2 57.7 567 263 B R H X S+ 0 0 56 -4,-2.3 4,-2.4 1,-0.2 -1,-0.3 0.864 101.9 59.3 -63.6 -34.1 34.5 20.8 54.8 568 264 B A H X S+ 0 0 0 -4,-1.5 4,-2.5 -3,-0.4 -1,-0.2 0.909 106.7 45.8 -62.4 -38.8 36.3 23.2 52.6 569 265 B A H X S+ 0 0 0 -4,-1.7 4,-2.3 2,-0.2 -1,-0.2 0.899 110.2 52.9 -72.7 -34.2 39.5 22.7 54.7 570 266 B L H X S+ 0 0 0 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.931 111.5 47.2 -61.6 -40.6 39.0 18.9 54.7 571 267 B I H X S+ 0 0 0 -4,-2.4 4,-2.9 2,-0.2 -2,-0.2 0.885 106.3 57.5 -68.3 -41.8 38.8 19.1 50.9 572 268 B N H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.961 107.9 48.9 -48.5 -53.6 41.9 21.3 50.7 573 269 B M H X S+ 0 0 2 -4,-2.3 4,-3.1 1,-0.2 5,-0.4 0.923 110.1 49.8 -56.6 -47.4 43.7 18.6 52.5 574 270 B V H X S+ 0 0 14 -4,-2.1 4,-2.9 1,-0.2 -1,-0.2 0.940 107.3 54.5 -57.8 -45.8 42.5 15.9 50.1 575 271 B F H < S+ 0 0 50 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.917 116.9 38.7 -52.4 -44.1 43.5 17.9 47.1 576 272 B Q H < S+ 0 0 54 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.919 133.0 18.0 -76.2 -49.7 47.0 18.1 48.5 577 273 B M H X S- 0 0 66 -4,-3.1 4,-0.5 -5,-0.2 -3,-0.2 0.486 102.1-115.8-102.7 -3.5 47.6 14.7 50.0 578 274 B G H X - 0 0 30 -4,-2.9 4,-2.3 -5,-0.4 5,-0.3 0.075 40.2 -74.3 79.7 160.3 45.0 12.4 48.4 579 275 B E H > S+ 0 0 59 1,-0.2 4,-1.8 2,-0.2 -1,-0.1 0.823 132.4 48.9 -69.8 -24.4 42.2 10.6 50.2 580 276 B T H > S+ 0 0 120 2,-0.2 4,-1.3 3,-0.2 -1,-0.2 0.805 107.0 56.8 -82.1 -28.5 44.5 8.0 51.8 581 277 B G H >< S+ 0 0 24 -4,-0.5 3,-0.5 -3,-0.2 -2,-0.2 0.971 113.2 39.7 -57.3 -54.0 46.9 10.7 53.0 582 278 B V H >< S+ 0 0 0 -4,-2.3 3,-2.3 1,-0.3 -2,-0.2 0.890 108.5 61.1 -69.2 -33.2 44.1 12.4 54.8 583 279 B A H 3< S+ 0 0 19 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.832 97.3 66.0 -60.7 -29.6 42.6 9.0 56.0 584 280 B G T << S+ 0 0 53 -4,-1.3 2,-1.4 -3,-0.5 -1,-0.3 0.500 74.3 84.5 -69.8 -6.8 45.9 8.6 57.7 585 281 B F <> + 0 0 31 -3,-2.3 4,-2.3 1,-0.2 5,-0.3 -0.529 57.7 165.1 -94.5 86.1 45.6 11.5 60.2 586 282 B T H > + 0 0 92 -2,-1.4 4,-2.0 1,-0.2 -1,-0.2 0.897 67.0 39.2 -74.8 -49.3 43.7 9.3 62.6 587 283 B N H > S+ 0 0 78 -3,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.918 115.7 52.6 -65.9 -45.2 43.8 11.2 65.9 588 284 B S H > S+ 0 0 3 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.926 110.7 47.4 -55.0 -44.7 43.3 14.6 64.2 589 285 B L H X S+ 0 0 9 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.896 110.0 53.1 -69.8 -35.5 40.2 13.4 62.4 590 286 B R H X S+ 0 0 106 -4,-2.0 4,-1.2 -5,-0.3 -1,-0.2 0.965 109.3 49.5 -62.1 -48.4 38.8 11.9 65.6 591 287 B M H <>S+ 0 0 16 -4,-2.7 5,-2.9 1,-0.2 -1,-0.2 0.828 109.9 51.7 -56.6 -34.9 39.3 15.3 67.3 592 288 B L H ><5S+ 0 0 1 -4,-2.0 3,-1.8 3,-0.2 -1,-0.2 0.925 105.3 54.2 -67.8 -42.3 37.5 17.0 64.4 593 289 B Q H 3<5S+ 0 0 87 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.759 111.3 45.8 -66.5 -23.0 34.5 14.7 64.6 594 290 B Q T 3<5S- 0 0 106 -4,-1.2 -1,-0.3 -5,-0.2 -2,-0.2 0.266 115.0-118.4 -98.7 3.9 34.1 15.5 68.3 595 291 B K T < 5 + 0 0 112 -3,-1.8 2,-1.0 1,-0.2 -3,-0.2 0.824 63.3 147.5 64.2 35.7 34.5 19.2 67.6 596 292 B R >< + 0 0 79 -5,-2.9 4,-1.7 1,-0.2 -1,-0.2 -0.763 18.9 171.6 -98.2 93.0 37.7 19.6 69.7 597 293 B W H > + 0 0 50 -2,-1.0 4,-2.4 1,-0.2 -1,-0.2 0.888 66.5 49.5 -81.0 -42.1 39.1 22.2 67.4 598 294 B D H > S+ 0 0 114 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.874 112.7 48.8 -62.7 -40.7 42.1 23.4 69.4 599 295 B E H > S+ 0 0 92 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.818 109.6 50.8 -73.3 -35.6 43.3 19.9 70.0 600 296 B A H X S+ 0 0 0 -4,-1.7 4,-2.9 2,-0.2 5,-0.2 0.901 111.2 50.5 -63.0 -45.0 43.0 18.9 66.3 601 297 B A H X S+ 0 0 11 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.972 110.4 48.3 -55.4 -54.0 45.0 22.0 65.5 602 298 B V H < S+ 0 0 96 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.903 115.6 46.7 -51.2 -41.5 47.7 21.0 68.0 603 299 B N H >< S+ 0 0 34 -4,-2.0 3,-1.5 1,-0.2 4,-0.2 0.898 106.9 53.0 -74.9 -42.9 47.7 17.6 66.5 604 300 B L H >< S+ 0 0 3 -4,-2.9 3,-1.9 1,-0.3 6,-0.4 0.876 100.5 65.5 -56.5 -37.1 47.8 18.5 62.8 605 301 B A T 3< S+ 0 0 36 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.499 87.2 69.5 -72.7 -1.1 50.8 20.6 63.5 606 302 B K T < S+ 0 0 156 -3,-1.5 -1,-0.3 -4,-0.1 -2,-0.2 0.690 81.8 102.0 -79.0 -16.4 52.9 17.6 64.4 607 303 B S S <> S- 0 0 27 -3,-1.9 4,-1.0 -4,-0.2 3,-0.3 -0.178 81.5-125.0 -79.5 158.4 53.0 16.3 60.8 608 304 B R H > S+ 0 0 188 1,-0.2 4,-2.0 2,-0.2 3,-0.5 0.869 113.9 67.9 -62.5 -29.8 55.7 16.5 58.2 609 305 B W H > S+ 0 0 19 1,-0.3 4,-2.2 2,-0.2 3,-0.4 0.929 95.5 51.0 -46.9 -53.2 52.9 18.2 56.3 610 306 B Y H 4 S+ 0 0 66 -6,-0.4 -1,-0.3 -3,-0.3 -2,-0.2 0.819 114.4 45.3 -60.7 -31.8 52.9 21.2 58.6 611 307 B N H < S+ 0 0 115 -4,-1.0 -1,-0.3 -3,-0.5 -2,-0.2 0.774 111.7 50.1 -80.2 -31.4 56.7 21.4 58.1 612 308 B Q H < S+ 0 0 104 -4,-2.0 -2,-0.2 -3,-0.4 -3,-0.2 0.853 127.5 17.8 -83.2 -43.1 56.7 21.0 54.3 613 309 B T S X S+ 0 0 48 -4,-2.2 4,-2.3 -5,-0.2 -1,-0.2 -0.621 76.1 169.5-127.4 76.6 54.1 23.5 53.2 614 310 B P H > S+ 0 0 55 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.822 71.6 49.1 -57.4 -43.4 53.9 25.7 56.4 615 311 B N H > S+ 0 0 111 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.975 114.4 42.8 -66.6 -53.1 51.8 28.6 55.0 616 312 B R H > S+ 0 0 21 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.905 116.7 51.0 -56.8 -37.6 49.1 26.4 53.4 617 313 B A H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.911 108.4 48.3 -71.8 -42.5 49.1 24.3 56.5 618 314 B K H X S+ 0 0 107 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.858 113.6 49.6 -64.3 -32.7 48.7 27.1 59.0 619 315 B R H X S+ 0 0 58 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.926 111.8 45.8 -72.6 -45.8 45.9 28.5 56.9 620 316 B V H X S+ 0 0 0 -4,-2.5 4,-2.4 -5,-0.2 -2,-0.2 0.924 113.1 51.9 -60.5 -44.2 44.0 25.3 56.6 621 317 B I H X S+ 0 0 14 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.912 107.7 50.4 -62.0 -43.6 44.6 24.7 60.4 622 318 B T H X S+ 0 0 39 -4,-2.3 4,-2.8 2,-0.2 5,-0.5 0.906 109.6 53.3 -57.4 -43.0 43.1 28.2 61.3 623 319 B T H X S+ 0 0 0 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.942 110.6 45.2 -56.3 -47.8 40.1 27.3 59.1 624 320 B F H < S+ 0 0 1 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.910 116.3 48.7 -60.5 -40.6 39.7 24.0 61.1 625 321 B R H < S+ 0 0 105 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.909 125.3 21.4 -68.8 -51.9 40.1 25.9 64.4 626 322 B T H < S- 0 0 45 -4,-2.8 -1,-0.2 2,-0.2 -3,-0.2 0.658 86.3-137.1 -84.9 -27.2 37.8 28.9 63.9 627 323 B G S < S+ 0 0 14 -4,-1.9 -62,-0.2 -5,-0.5 2,-0.2 0.559 70.5 108.4 66.9 10.0 35.4 27.6 61.2 628 324 B T S S- 0 0 47 -6,-0.4 3,-0.3 -63,-0.1 -1,-0.3 -0.585 81.3-118.4-103.2 176.6 35.6 31.0 59.5 629 325 B W S >> S+ 0 0 30 -2,-0.2 3,-2.3 1,-0.2 4,-1.6 0.201 74.2 122.8 -91.2 9.9 37.4 32.2 56.3 630 326 B D T 34 + 0 0 86 1,-0.3 4,-0.3 2,-0.2 -1,-0.2 0.633 64.8 57.0 -53.8 -21.6 39.6 34.6 58.4 631 327 B A T 34 S+ 0 0 27 -3,-0.3 -1,-0.3 -12,-0.2 -2,-0.1 0.704 119.7 30.3 -82.4 -21.2 42.9 33.1 57.1 632 328 B Y T X> S+ 0 0 1 -3,-2.3 3,-1.8 -13,-0.1 4,-0.6 0.625 91.0 94.6-104.7 -17.7 42.0 33.8 53.5 633 329 B K G >< S+ 0 0 115 -4,-1.6 3,-1.6 1,-0.3 -3,-0.1 0.836 82.9 50.7 -59.9 -52.0 39.7 36.9 53.5 634 330 B N G 34 S+ 0 0 162 -4,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.717 113.0 50.3 -53.5 -22.2 42.2 39.7 52.9 635 331 B L G <4 S+ 0 0 89 -3,-1.8 -1,-0.3 2,-0.0 -2,-0.2 0.517 78.9 123.1 -94.4 -5.9 43.5 37.7 49.9 636 332 B F << - 0 0 50 -3,-1.6 -163,-0.0 -4,-0.6 -3,-0.0 -0.329 45.7-163.2 -59.1 131.4 40.1 37.1 48.3 637 333 B E 0 0 130 1,-0.3 -1,-0.2 0, 0.0 -3,-0.0 0.234 360.0 360.0 -98.0 7.0 40.2 38.5 44.7 638 334 B H 0 0 178 -165,-0.0 -1,-0.3 -166,-0.0 -162,-0.1 -0.781 360.0 360.0 160.7 360.0 36.4 38.5 44.4