REMARK SOURCE hebe.pdb HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 29-JUN-07 2QGV COMPND HYDROGENASE-1 OPERON PROTEIN HYAE; COMPND 3 CHAIN: A, B, C, D, E, F, G, H, I, J; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: SHIGELLA FLEXNERI 2A; SOURCE 3 ORGANISM_TAXID: 198214; SOURCE 4 STRAIN: 301; SOURCE 5 GENE: HYAE, SF0977, S_1044; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 7 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 8 EXPRESSION_SYSTEM_STRAIN: BL21(DE3)+MAGIC; SOURCE 9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 10 EXPRESSION_SYSTEM_VECTOR: BL21; SOURCE 11 EXPRESSION_SYSTEM_PLASMID: PET21 AUTHOR F.FOROUHAR,M.SU,J.SEETHARAMAN,J.BENACH,D.WANG,Y.FANG,K.CUNNINGHAM,L- AUTHOR 2 C.MA,R.XIAO,J.LIU,M.C.BARAN,T.B.ACTON,B.ROST,G.T.MONTELIONE, AUTHOR 3 J.F.HUNT,L.TONG,NORTHEAST STRUCTURAL GENOMICS CONSORTIUM (NESG) HET MSE A 14 8 HET MSE A 57 8 HET MSE A 120 8 HET MSE B 14 8 HET MSE B 57 8 HET MSE B 120 8 HET MSE C 14 8 HET MSE C 57 8 HET MSE C 120 8 HET MSE D 14 8 HET MSE D 57 8 HET MSE D 120 8 HET MSE E 14 8 HET MSE E 57 8 HET MSE E 120 8 HET MSE F 14 8 HET MSE F 57 8 HET MSE F 120 8 HET MSE G 14 8 HET MSE G 57 8 HET MSE G 120 8 HET MSE H 14 8 HET MSE H 57 8 HET MSE H 120 8 HET MSE I 14 8 HET MSE I 57 8 HET MSE I 120 8 HET MSE J 14 8 HET MSE J 57 8 HET MSE J 120 8 >THR~A 5 43.10 119.92 -6.31 41.56 118.34 -6.51 42.33 119.13 -6.41 2 0 1000.00 -999 ? >PRO~A 6 40.68 123.13 -4.35 42.36 121.75 -3.88 41.52 122.44 -4.12 3 0 1000.00 -999 ? >PHE~A 7 37.43 118.66 -1.36 35.83 117.18 0.39 36.63 117.92 -0.48 3 0 1000.00 -999 ? >ASP~A 8 42.54 116.21 -3.53 41.24 115.73 -5.12 41.89 115.97 -4.33 2 0 1000.00 -999 ? >ALA~A 9 44.37 118.30 -0.06 44.98 119.66 -0.31 44.67 118.98 -0.18 2 0 1000.00 -999 ? >LEU~A 10 40.57 119.90 2.44 39.46 120.87 4.01 40.01 120.39 3.23 3 0 1000.00 -999 ? >TRP~A 11 39.81 112.31 0.96 36.11 112.41 2.31 37.96 112.36 1.63 3 0 1000.00 -999 ? >GLN~A 12 44.98 113.34 0.68 44.67 111.25 1.05 44.82 112.30 0.87 2 0 1000.00 -999 ? >ARG~A 13 44.87 120.15 4.32 43.97 121.45 6.96 44.42 120.80 5.64 2 0 1000.00 -999 ? >MET?A 14 41.31 115.08 7.44 37.76 117.19 6.31 39.53 116.13 6.88 2 0 1000.00 -999 ? >LEU~A 15 42.34 110.89 5.22 40.97 109.90 3.87 41.66 110.39 4.55 3 0 1000.00 -999 ? >ALA~A 16 45.37 111.96 8.34 46.40 113.06 8.02 45.88 112.51 8.18 2 0 1000.00 -999 ? >ARG~A 17 42.55 116.38 12.75 42.79 119.00 11.15 42.67 117.69 11.95 2 0 1000.00 -999 ? >GLY.A 18 42.01 109.41 11.32 41.57 110.04 11.10 41.79 109.72 11.21 1 0 1000.00 -999 ? >TRP.A 19 38.91 112.71 12.64 38.83 116.51 11.62 38.87 114.61 12.13 3 0 1000.00 -999 ? >THR^A 20 36.29 108.20 8.71 35.70 106.86 10.28 35.99 107.53 9.49 2 0 1000.00 -999 ? >PRO^A 21 36.91 108.17 4.50 35.15 108.62 5.81 36.03 108.39 5.15 3 0 1000.00 -999 ? >VAL.A 22 30.98 108.43 5.10 29.59 109.37 6.49 30.28 108.90 5.80 3 0 1000.00 -999 ? >SER~A 23 28.27 108.38 2.41 27.92 106.08 1.68 28.09 107.23 2.05 2 0 1000.00 -999 ? >GLU~A 24 22.33 110.38 2.52 20.99 108.71 2.61 21.66 109.54 2.57 2 0 1000.00 -999 ? >SER~A 25 23.63 105.60 2.27 25.35 104.64 0.86 24.49 105.12 1.57 2 0 1000.00 -999 ? >ARG~A 26 28.05 101.75 4.04 28.19 99.94 6.49 28.12 100.85 5.27 2 0 1000.00 -999 ? >LEU~A 27 24.78 108.67 7.26 25.15 110.42 8.44 24.97 109.54 7.85 3 0 1000.00 -999 ? >ASP~A 28 21.40 105.00 9.21 20.08 106.58 8.78 20.74 105.79 9.00 2 0 1000.00 -999 ? >ASP~A 29 25.50 101.60 8.91 23.99 100.40 8.03 24.75 101.00 8.47 2 0 1000.00 -999 ? >TRP~A 30 30.99 105.88 11.04 30.27 109.36 12.73 30.63 107.62 11.88 3 0 1000.00 -999 ? >LEU~A 31 24.41 107.33 12.97 24.51 109.43 12.44 24.46 108.38 12.71 3 0 1000.00 -999 ? >THR~A 32 24.50 103.44 15.25 23.55 102.04 13.88 24.03 102.74 14.57 2 0 1000.00 -999 ? >GLN~A 33 29.55 102.40 13.87 31.25 103.53 14.38 30.40 102.96 14.13 2 0 1000.00 -999 ? >ALA.A 34 28.90 106.13 17.03 29.60 106.83 15.88 29.25 106.48 16.46 2 0 1000.00 -999 ? >PRO.A 35 27.43 106.21 21.05 26.77 107.09 19.11 27.10 106.65 20.08 3 0 1000.00 -999 ? >ASP.A 36 29.12 110.72 21.41 27.84 110.29 23.05 28.48 110.51 22.23 2 0 1000.00 -999 ? >GLY^A 37 29.73 111.81 16.78 29.18 112.33 17.01 29.45 112.07 16.89 1 0 1000.00 -999 ? >VAL^A 38 30.12 114.62 14.33 30.94 116.45 15.11 30.53 115.54 14.72 3 0 1000.00 -999 ? >VAL^A 39 29.73 114.72 10.56 28.30 113.44 9.53 29.02 114.08 10.04 3 0 1000.00 -999 ? >LEU^A 40 33.14 117.52 8.68 34.03 117.40 10.64 33.58 117.46 9.66 3 0 1000.00 -999 ? >LEU^A 41 28.43 119.12 5.61 26.89 117.73 6.08 27.66 118.42 5.85 3 0 1000.00 -999 ? >SER.A 42 32.13 120.65 3.12 34.26 120.11 4.19 33.20 120.38 3.65 2 0 1000.00 -999 ? >SER.A 43 31.92 122.82 -0.01 29.93 124.13 0.37 30.93 123.48 0.18 2 0 1000.00 -999 ? >ASP.A 44 34.24 123.71 -4.19 35.78 122.95 -5.42 35.01 123.33 -4.81 2 0 1000.00 -999 ? >PRO.A 45 38.12 123.09 -0.41 37.01 124.77 -1.32 37.57 123.93 -0.87 3 0 1000.00 -999 ? >LYS.A 46 37.93 127.26 -4.19 37.57 124.07 -9.00 37.75 125.67 -6.60 2 0 1000.00 -999 ? >ARG.A 47 31.83 129.85 -5.50 30.11 127.69 -6.85 30.97 128.77 -6.18 2 0 1000.00 -999 ? >THR.A 48 34.97 129.55 -0.27 33.48 128.67 1.06 34.23 129.11 0.40 2 0 1000.00 -999 ? >PRO.A 49 38.75 131.53 0.60 37.93 129.47 0.82 38.34 130.50 0.71 3 0 1000.00 -999 ? >GLU.A 50 35.75 131.44 4.51 37.35 132.54 5.36 36.55 131.99 4.94 2 0 1000.00 -999 ? >VAL.A 51 36.08 125.46 4.39 34.80 124.43 2.94 35.44 124.94 3.66 3 0 1000.00 -999 ? >SER~A 52 39.78 124.79 5.08 40.73 125.15 2.87 40.26 124.97 3.98 2 0 1000.00 -999 ? >ASP~A 53 39.57 127.80 8.80 40.98 128.94 7.79 40.27 128.37 8.30 2 0 1000.00 -999 ? >ASN~A 54 35.38 124.32 8.82 33.59 123.85 9.88 34.48 124.08 9.35 2 0 1000.00 -999 ? >PRO~A 55 38.23 121.12 7.80 37.96 121.84 9.88 38.10 121.48 8.84 3 0 1000.00 -999 ? >VAL~A 56 41.04 122.37 12.42 42.84 123.40 11.79 41.94 122.89 12.11 3 0 1000.00 -999 ? >MET?A 57 38.57 124.13 14.71 37.37 128.08 14.34 37.97 126.11 14.52 2 0 1000.00 -999 ? >ILE~A 58 35.50 120.51 13.90 34.38 120.05 13.19 34.94 120.28 13.55 3 0 1000.00 -999 ? >GLY~A 59 39.10 119.10 16.06 38.74 119.78 16.43 38.92 119.44 16.25 1 0 1000.00 -999 ? >GLU~A 60 41.62 122.80 18.02 43.22 121.69 18.85 42.42 122.25 18.44 2 0 1000.00 -999 ? >LEU~A 61 35.13 122.53 18.89 33.15 123.24 19.27 34.14 122.88 19.08 3 0 1000.00 -999 ? >LEU~A 62 36.10 117.27 19.46 34.66 116.44 18.11 35.38 116.85 18.78 3 0 1000.00 -999 ? >HIS~A 63 40.28 119.19 23.12 41.08 121.09 22.72 40.68 120.14 22.92 3 0 1000.00 -999 ? >GLU.A 64 36.87 122.88 24.02 37.60 123.83 25.76 37.24 123.36 24.89 2 0 1000.00 -999 ? >PHE.A 65 31.85 119.58 24.65 30.98 122.20 24.18 31.42 120.89 24.42 3 0 1000.00 -999 ? >PRO.A 66 36.90 116.61 27.97 35.12 115.67 27.03 36.01 116.14 27.50 3 0 1000.00 -999 ? >ASP.A 67 30.92 114.83 29.06 31.69 116.69 29.75 31.31 115.76 29.41 2 0 1000.00 -999 ? >TYR.A 68 29.63 114.13 24.77 27.67 115.80 25.84 28.65 114.96 25.31 3 0 1000.00 -999 ? >THR.A 69 32.91 109.55 23.18 32.07 107.59 22.78 32.49 108.57 22.98 2 0 1000.00 -999 ? >TRP.A 70 33.62 114.79 21.90 29.99 115.62 20.59 31.80 115.20 21.24 3 0 1000.00 -999 ? >GLN^A 71 33.94 107.58 16.43 32.85 105.78 16.02 33.40 106.68 16.22 2 0 1000.00 -999 ? >VAL^A 72 34.36 112.17 13.50 35.60 113.97 13.55 34.98 113.07 13.53 3 0 1000.00 -999 ? >ALA^A 73 32.95 111.50 10.05 31.56 110.90 9.98 32.25 111.20 10.02 2 0 1000.00 -999 ? >ILE^A 74 35.16 113.66 6.58 36.54 113.49 6.74 35.85 113.58 6.66 3 0 1000.00 -999 ? >ALA.A 75 31.75 113.59 3.62 30.26 113.94 3.71 31.01 113.76 3.66 2 0 1000.00 -999 ? >ASP~A 76 33.59 113.51 -0.87 31.96 112.47 -1.78 32.77 112.99 -1.32 2 0 1000.00 -999 ? >LEU~A 77 32.15 117.83 -3.15 33.65 119.37 -3.02 32.90 118.60 -3.09 3 0 1000.00 -999 ? >GLU~A 78 29.67 114.14 -5.69 31.65 114.88 -5.46 30.66 114.51 -5.58 2 0 1000.00 -999 ? >GLN~A 79 28.86 110.87 -0.27 26.92 110.30 -1.03 27.89 110.58 -0.65 2 0 1000.00 -999 ? >SER~A 80 28.00 116.48 1.78 30.26 117.09 2.32 29.13 116.79 2.05 2 0 1000.00 -999 ? >GLU~A 81 26.27 118.89 -2.40 26.28 119.12 -4.50 26.28 119.00 -3.45 2 0 1000.00 -999 ? >ALA~A 82 23.31 114.44 0.04 23.85 113.07 -0.28 23.58 113.75 -0.12 2 0 1000.00 -999 ? >ILE~A 83 24.91 114.12 4.56 25.71 113.40 5.47 25.31 113.76 5.02 3 0 1000.00 -999 ? >GLY~A 84 23.01 118.10 4.02 22.53 117.51 3.69 22.77 117.80 3.85 1 0 1000.00 -999 ? >ASP~A 85 19.67 117.33 0.60 20.49 118.63 -0.86 20.08 117.98 -0.13 2 0 1000.00 -999 ? >ARG~A 86 19.37 111.67 5.72 19.94 109.30 7.57 19.66 110.48 6.65 2 0 1000.00 -999 ? >PHE~A 87 20.69 115.78 8.72 21.04 113.16 9.65 20.86 114.47 9.18 3 0 1000.00 -999 ? >GLY.A 88 18.25 120.76 6.00 19.01 120.53 6.14 18.63 120.64 6.07 1 0 1000.00 -999 ? >ALA.A 89 21.80 122.06 6.16 23.01 121.30 6.69 22.41 121.68 6.43 2 0 1000.00 -999 ? >PHE.A 90 19.76 124.04 2.43 17.95 121.98 1.84 18.85 123.01 2.13 3 0 1000.00 -999 ? >ARG.A 91 25.64 129.64 6.08 25.47 131.36 8.68 25.55 130.50 7.38 2 0 1000.00 -999 ? >PHE.A 92 27.77 123.00 3.10 26.23 120.71 2.89 27.00 121.86 2.99 3 0 1000.00 -999 ? >PRO.A 93 32.78 125.71 5.67 30.64 125.12 5.63 31.71 125.42 5.65 3 0 1000.00 -999 ? >ALA^A 94 28.42 122.70 8.33 27.05 122.42 7.71 27.73 122.56 8.02 2 0 1000.00 -999 ? >THR^A 95 28.84 120.22 11.12 30.63 120.32 12.29 29.73 120.27 11.71 2 0 1000.00 -999 ? >LEU^A 96 25.56 116.70 11.31 24.32 117.11 9.59 24.94 116.90 10.45 3 0 1000.00 -999 ? >VAL^A 97 26.19 116.99 15.88 26.98 118.39 17.39 26.59 117.69 16.64 3 0 1000.00 -999 ? >PHE^A 98 24.55 112.71 15.09 23.56 113.18 12.52 24.06 112.95 13.80 3 0 1000.00 -999 ? >THR^A 99 24.83 112.80 21.06 25.15 114.18 22.69 24.99 113.49 21.87 2 0 1000.00 -999 ? >GLY.A 100 23.67 109.47 22.41 23.64 109.79 21.65 23.66 109.63 22.03 1 0 1000.00 -999 ? >GLY.A 101 22.60 108.43 18.92 22.43 109.14 19.28 22.51 108.79 19.10 1 0 1000.00 -999 ? >ASN^A 102 19.76 112.02 20.02 18.58 110.43 20.81 19.17 111.22 20.41 2 0 1000.00 -999 ? >TYR^A 103 20.29 115.80 14.20 20.72 118.17 12.77 20.50 116.99 13.48 3 0 1000.00 -999 ? >ARG^A 104 21.35 116.37 21.07 20.16 114.48 23.14 20.76 115.42 22.10 2 0 1000.00 -999 ? >GLY^A 105 21.68 120.20 15.54 22.30 119.65 15.46 21.99 119.92 15.50 1 0 1000.00 -999 ? >VAL^A 106 24.12 121.74 13.10 23.62 122.39 11.09 23.87 122.07 12.10 3 0 1000.00 -999 ? >LEU^A 107 28.31 123.84 14.23 28.58 123.41 16.31 28.45 123.63 15.27 3 0 1000.00 -999 ? >ASN^A 108 25.69 126.45 9.65 24.20 127.56 10.62 24.94 127.00 10.13 2 0 1000.00 -999 ? >GLY.A 109 28.83 129.56 9.61 29.23 128.88 9.93 29.03 129.22 9.77 1 0 1000.00 -999 ? >ILE.A 110 33.14 131.30 10.11 34.16 132.25 9.65 33.65 131.77 9.88 3 0 1000.00 -999 ? >HIS.A 111 29.92 131.45 14.81 28.37 130.53 13.74 29.14 130.99 14.27 3 0 1000.00 -999 ? >PRO~A 112 34.09 135.40 17.08 34.47 133.25 16.66 34.28 134.32 16.87 3 0 1000.00 -999 ? >TRP~A 113 38.43 127.64 18.94 37.20 126.49 22.51 37.82 127.07 20.72 3 0 1000.00 -999 ? >ALA~A 114 34.55 131.54 22.18 34.81 132.87 22.88 34.68 132.20 22.53 2 0 1000.00 -999 ? >GLU~A 115 30.21 133.98 19.14 28.32 133.38 18.39 29.26 133.68 18.77 2 0 1000.00 -999 ? >LEU~A 116 33.00 127.78 18.24 32.99 126.06 16.94 33.00 126.92 17.59 3 0 1000.00 -999 ? >ILE~A 117 33.22 126.74 23.36 33.66 127.06 24.68 33.44 126.90 24.02 3 0 1000.00 -999 ? >ASN~A 118 28.81 129.59 23.99 28.53 130.78 22.24 28.67 130.18 23.12 2 0 1000.00 -999 ? >LEU~A 119 27.51 127.63 19.06 26.61 129.14 17.82 27.06 128.39 18.44 3 0 1000.00 -999 ? >MET?A 120 28.02 123.61 21.01 28.90 120.55 19.67 28.46 122.08 20.34 2 0 1000.00 -999 ? >ARG~A 121 28.54 124.27 27.82 30.94 126.18 27.92 29.74 125.23 27.87 2 0 1000.00 -999 ? >GLY~A 122 23.49 124.78 23.31 23.92 124.12 23.02 23.71 124.45 23.17 1 0 1000.00 -999 ? >LEU~A 123 24.29 121.43 20.05 23.87 122.24 18.10 24.08 121.83 19.07 3 0 1000.00 -999 ? >VAL~A 124 24.79 118.97 23.66 26.91 118.97 23.28 25.85 118.97 23.47 3 0 1000.00 -999 ? >GLU~A 125 23.62 121.53 28.92 22.77 119.87 29.93 23.20 120.70 29.42 2 0 1000.00 -999 ? >THR~B 5 48.46 124.89 13.54 50.02 126.20 14.23 49.24 125.55 13.89 2 0 1000.00 -999 ? >PRO~B 6 49.01 121.70 16.51 47.47 123.20 15.99 48.24 122.45 16.25 3 0 1000.00 -999 ? >PHE~B 7 50.34 125.98 20.91 50.79 127.38 23.29 50.57 126.68 22.10 3 0 1000.00 -999 ? >ASP~B 8 47.53 128.73 16.28 49.53 129.07 15.72 48.53 128.90 16.00 2 0 1000.00 -999 ? >ALA~B 9 43.90 126.87 18.08 43.43 125.55 17.49 43.66 126.21 17.78 2 0 1000.00 -999 ? >LEU~B 10 45.53 125.05 22.24 45.50 124.06 24.16 45.51 124.56 23.20 3 0 1000.00 -999 ? >TRP~B 11 47.49 132.55 21.65 49.80 132.22 24.83 48.64 132.39 23.24 3 0 1000.00 -999 ? >GLN~B 12 43.35 131.88 18.46 43.58 133.94 19.00 43.46 132.91 18.73 2 0 1000.00 -999 ? >ARG~B 13 40.92 125.16 21.42 40.05 123.87 24.05 40.48 124.51 22.73 2 0 1000.00 -999 ? >MET?B 14 42.45 130.04 26.08 45.91 127.67 27.16 44.18 128.86 26.62 2 0 1000.00 -999 ? >LEU~B 15 43.14 134.25 23.75 45.10 135.10 23.43 44.12 134.68 23.59 3 0 1000.00 -999 ? >ALA~B 16 38.82 133.45 24.60 38.09 132.43 23.76 38.45 132.94 24.18 2 0 1000.00 -999 ? >ARG~B 17 38.38 128.97 29.74 38.82 126.38 28.17 38.60 127.68 28.95 2 0 1000.00 -999 ? >GLY.B 18 40.09 135.84 29.03 40.54 135.17 29.08 40.32 135.50 29.06 1 0 1000.00 -999 ? >TRP.B 19 41.69 132.34 31.82 42.03 128.52 30.92 41.86 130.43 31.37 3 0 1000.00 -999 ? >THR^B 20 46.37 136.54 30.11 46.03 137.85 31.76 46.20 137.19 30.94 2 0 1000.00 -999 ? >PRO^B 21 48.21 136.51 26.28 48.89 135.99 28.34 48.55 136.25 27.31 3 0 1000.00 -999 ? >VAL.B 22 52.76 135.86 30.11 53.06 134.85 32.01 52.91 135.35 31.06 3 0 1000.00 -999 ? >SER~B 23 56.50 135.65 29.38 57.39 137.89 29.03 56.94 136.77 29.20 2 0 1000.00 -999 ? >GLU~B 24 61.14 133.25 32.80 62.30 134.78 33.65 61.72 134.01 33.22 2 0 1000.00 -999 ? >SER~B 25 60.59 138.09 31.93 59.99 139.19 29.88 60.29 138.64 30.91 2 0 1000.00 -999 ? >ARG~B 26 56.23 142.27 31.02 54.88 144.14 33.00 55.55 143.21 32.01 2 0 1000.00 -999 ? >LEU~B 27 56.67 135.21 35.36 55.58 133.50 36.05 56.13 134.35 35.71 3 0 1000.00 -999 ? >ASP~B 28 58.59 138.68 38.94 59.79 137.01 39.35 59.19 137.84 39.15 2 0 1000.00 -999 ? >ASP~B 29 55.62 142.33 36.50 57.44 143.38 36.61 56.53 142.85 36.56 2 0 1000.00 -999 ? >TRP~B 30 49.64 138.54 35.11 48.98 135.04 36.78 49.31 136.79 35.94 3 0 1000.00 -999 ? >LEU~B 31 53.82 136.65 40.35 53.87 134.56 39.76 53.85 135.60 40.06 3 0 1000.00 -999 ? >THR~B 32 52.76 140.57 42.27 54.42 141.85 41.69 53.59 141.21 41.98 2 0 1000.00 -999 ? >GLN~B 33 49.45 141.96 38.32 47.65 140.96 37.78 48.55 141.46 38.05 2 0 1000.00 -999 ? >ALA.B 34 47.97 138.27 41.20 47.99 137.59 39.84 47.97 137.93 40.52 2 0 1000.00 -999 ? >PRO.B 35 46.88 138.21 45.33 48.42 137.22 44.10 47.65 137.72 44.71 3 0 1000.00 -999 ? >ASP.B 36 44.90 133.83 44.57 45.02 134.18 46.66 44.96 134.00 45.61 2 0 1000.00 -999 ? >GLY^B 37 46.98 132.69 40.38 47.26 132.13 40.88 47.12 132.41 40.63 1 0 1000.00 -999 ? >VAL^B 38 47.82 129.85 38.08 46.58 128.08 38.24 47.20 128.97 38.16 3 0 1000.00 -999 ? >VAL^B 39 50.24 129.65 35.16 52.05 130.80 35.13 51.15 130.23 35.15 3 0 1000.00 -999 ? >LEU^B 40 48.29 127.06 31.62 46.47 127.24 32.75 47.38 127.15 32.18 3 0 1000.00 -999 ? >LEU^B 41 53.78 125.03 31.72 54.89 126.33 33.01 54.34 125.68 32.37 3 0 1000.00 -999 ? >SER.B 42 52.05 123.73 27.55 49.72 124.44 27.30 50.89 124.09 27.42 2 0 1000.00 -999 ? >SER.B 43 53.79 121.46 25.03 55.09 119.99 26.46 54.44 120.73 25.74 2 0 1000.00 -999 ? >ASP.B 44 54.16 120.63 20.26 53.66 121.47 18.39 53.91 121.05 19.33 2 0 1000.00 -999 ? >PRO.B 45 48.89 121.64 21.19 50.21 119.84 21.06 49.55 120.74 21.13 3 0 1000.00 -999 ? >LYS.B 46 50.85 117.36 18.10 54.12 120.44 14.40 52.49 118.90 16.25 2 0 1000.00 -999 ? >ARG.B 47 56.44 114.31 20.41 58.79 116.30 20.33 57.61 115.31 20.37 2 0 1000.00 -999 ? >THR.B 48 50.93 114.98 22.98 51.46 115.80 24.92 51.19 115.39 23.95 2 0 1000.00 -999 ? >PRO.B 49 47.16 113.31 21.57 47.90 115.31 22.22 47.53 114.31 21.89 3 0 1000.00 -999 ? >GLU.B 50 47.48 113.26 26.42 45.59 112.29 26.17 46.53 112.78 26.30 2 0 1000.00 -999 ? >VAL.B 51 47.69 119.24 26.27 49.63 120.15 25.80 48.66 119.69 26.04 3 0 1000.00 -999 ? >SER~B 52 44.32 120.18 24.77 44.76 119.83 22.41 44.54 120.01 23.59 2 0 1000.00 -999 ? >ASP~B 53 42.17 117.27 27.89 41.46 116.21 26.22 41.81 116.74 27.06 2 0 1000.00 -999 ? >ASN~B 54 45.88 120.45 30.35 46.80 120.80 32.24 46.34 120.63 31.30 2 0 1000.00 -999 ? >PRO~B 55 44.29 123.78 27.94 43.31 123.10 29.81 43.80 123.44 28.88 3 0 1000.00 -999 ? >VAL~B 56 39.32 122.86 30.16 38.11 121.92 28.65 38.72 122.39 29.40 3 0 1000.00 -999 ? >MET?B 57 39.94 120.99 33.42 40.78 116.99 33.72 40.36 118.99 33.57 2 0 1000.00 -999 ? >ILE~B 58 43.19 124.36 34.58 44.55 124.71 34.62 43.87 124.53 34.60 3 0 1000.00 -999 ? >GLY~B 59 39.13 126.07 34.37 39.15 125.38 34.85 39.14 125.72 34.61 1 0 1000.00 -999 ? >GLU~B 60 35.68 122.62 34.46 33.99 123.89 34.27 34.83 123.25 34.36 2 0 1000.00 -999 ? >LEU~B 61 40.53 122.44 38.84 41.90 121.59 40.27 41.21 122.01 39.55 3 0 1000.00 -999 ? >LEU~B 62 39.79 127.75 38.86 41.81 128.47 38.58 40.80 128.11 38.72 3 0 1000.00 -999 ? >HIS~B 63 34.14 126.24 39.53 33.59 124.39 38.72 33.87 125.31 39.12 3 0 1000.00 -999 ? >GLU.B 64 36.15 122.34 42.08 34.50 121.53 43.11 35.32 121.93 42.59 2 0 1000.00 -999 ? >PHE.B 65 40.20 125.26 45.50 40.96 122.58 45.56 40.58 123.92 45.53 3 0 1000.00 -999 ? >PRO.B 66 34.39 128.66 45.49 36.45 129.46 45.72 35.42 129.06 45.60 3 0 1000.00 -999 ? >ASP.B 67 38.83 130.04 49.81 37.68 128.25 49.90 38.25 129.15 49.85 2 0 1000.00 -999 ? >TYR.B 68 42.38 130.53 46.97 43.24 128.74 48.94 42.81 129.63 47.95 3 0 1000.00 -999 ? >THR.B 69 40.92 135.30 43.93 41.96 137.19 44.10 41.44 136.24 44.02 2 0 1000.00 -999 ? >TRP.B 70 40.66 130.10 42.34 44.31 128.96 43.31 42.48 129.53 42.82 3 0 1000.00 -999 ? >GLN^B 71 44.04 137.18 37.79 45.28 138.87 38.12 44.66 138.03 37.96 2 0 1000.00 -999 ? >VAL^B 72 44.97 132.54 35.06 43.78 130.85 34.37 44.37 131.70 34.72 3 0 1000.00 -999 ? >ALA^B 73 48.10 133.07 33.02 49.31 133.57 33.77 48.71 133.32 33.39 2 0 1000.00 -999 ? >ILE^B 74 48.12 130.99 28.85 46.88 131.25 28.25 47.50 131.12 28.55 3 0 1000.00 -999 ? >ALA.B 75 52.59 130.78 28.33 53.73 130.33 29.24 53.16 130.55 28.78 2 0 1000.00 -999 ? >ASP~B 76 53.62 130.85 23.59 55.53 131.76 23.78 54.57 131.31 23.68 2 0 1000.00 -999 ? >LEU~B 77 55.75 126.37 22.42 54.32 124.96 21.65 55.04 125.67 22.04 3 0 1000.00 -999 ? >GLU~B 78 59.51 129.80 21.83 57.69 129.20 20.88 58.60 129.50 21.35 2 0 1000.00 -999 ? >GLN~B 79 57.31 133.16 26.79 59.36 133.64 27.24 58.33 133.40 27.02 2 0 1000.00 -999 ? >SER~B 80 56.51 127.53 28.88 54.27 127.13 28.07 55.39 127.33 28.48 2 0 1000.00 -999 ? >GLU~B 81 60.07 124.86 26.36 61.24 124.56 24.62 60.66 124.71 25.49 2 0 1000.00 -999 ? >ALA~B 82 61.49 129.16 30.13 61.35 130.55 29.58 61.42 129.86 29.86 2 0 1000.00 -999 ? >ILE~B 83 57.62 129.71 32.97 56.51 130.51 33.25 57.06 130.11 33.11 3 0 1000.00 -999 ? >GLY~B 84 59.22 125.59 33.49 59.84 126.14 33.49 59.53 125.86 33.49 1 0 1000.00 -999 ? >ASP~B 85 63.96 126.03 32.59 63.98 124.79 30.88 63.97 125.41 31.73 2 0 1000.00 -999 ? >ARG~B 86 61.78 131.84 37.08 60.43 134.24 38.35 61.11 133.04 37.72 2 0 1000.00 -999 ? >PHE~B 87 58.63 127.85 38.72 57.98 130.50 39.35 58.30 129.17 39.04 3 0 1000.00 -999 ? >GLY~B 88 61.83 122.67 37.72 61.12 122.96 37.43 61.47 122.82 37.58 1 0 1000.00 -999 ? >ALA.B 89 58.69 121.64 35.86 57.46 122.51 35.62 58.07 122.07 35.74 2 0 1000.00 -999 ? >PHE.B 90 62.36 119.36 33.92 64.32 121.26 34.48 63.34 120.31 34.20 3 0 1000.00 -999 ? >ARG.B 91 55.06 114.33 33.49 53.56 112.69 35.64 54.31 113.51 34.56 2 0 1000.00 -999 ? >PHE.B 92 55.46 121.04 29.93 56.97 123.22 30.74 56.21 122.13 30.34 3 0 1000.00 -999 ? >PRO.B 93 49.70 118.77 29.19 51.53 119.19 30.36 50.62 118.98 29.78 3 0 1000.00 -999 ? >ALA^B 94 52.01 121.54 33.87 53.51 121.71 34.14 52.76 121.63 34.01 2 0 1000.00 -999 ? >THR^B 95 50.26 124.09 36.01 48.13 124.15 35.94 49.19 124.12 35.97 2 0 1000.00 -999 ? >LEU^B 96 53.11 127.34 38.12 55.05 126.82 37.42 54.08 127.08 37.76 3 0 1000.00 -999 ? >VAL^B 97 49.97 127.22 41.54 48.39 125.93 42.30 49.18 126.58 41.92 3 0 1000.00 -999 ? >PHE^B 98 52.09 131.32 41.88 54.33 130.75 40.33 53.21 131.04 41.11 3 0 1000.00 -999 ? >THR^B 99 48.49 131.40 46.69 47.24 130.07 47.82 47.87 130.73 47.25 2 0 1000.00 -999 ? >GLY.B 100 48.96 134.67 48.54 49.39 134.32 47.92 49.17 134.49 48.23 1 0 1000.00 -999 ? >GLY.B 101 51.86 135.55 46.26 51.75 134.84 46.65 51.80 135.19 46.45 1 0 1000.00 -999 ? >ASN^B 102 53.31 131.80 48.69 53.95 133.32 50.03 53.63 132.56 49.36 2 0 1000.00 -999 ? >TYR^B 103 55.90 127.93 43.49 56.16 125.56 42.02 56.03 126.75 42.75 3 0 1000.00 -999 ? >ARG^B 104 51.08 127.60 48.54 51.05 129.46 50.97 51.06 128.53 49.76 2 0 1000.00 -999 ? >GLY^B 105 53.68 123.72 43.70 53.23 124.28 43.31 53.46 124.00 43.50 1 0 1000.00 -999 ? >VAL^B 106 52.88 122.26 40.31 54.36 121.53 38.88 53.62 121.90 39.60 3 0 1000.00 -999 ? >LEU^B 107 48.66 120.52 38.82 47.30 121.02 40.39 47.98 120.77 39.61 3 0 1000.00 -999 ? >ASN^B 108 53.22 117.61 36.45 53.81 116.41 38.08 53.52 117.01 37.27 2 0 1000.00 -999 ? >GLY.B 109 50.42 114.75 34.58 49.97 115.46 34.63 50.20 115.11 34.60 1 0 1000.00 -999 ? >ILE.B 110 46.45 113.32 32.52 45.81 112.44 31.55 46.13 112.88 32.03 3 0 1000.00 -999 ? >HIS.B 111 46.45 113.05 38.20 48.40 113.82 38.19 47.42 113.43 38.20 3 0 1000.00 -999 ? >PRO~B 112 41.45 109.47 37.65 41.52 111.63 37.13 41.48 110.55 37.39 3 0 1000.00 -999 ? >TRP~B 113 37.38 117.61 36.93 36.43 118.72 40.58 36.90 118.16 38.75 3 0 1000.00 -999 ? >ALA~B 114 38.48 113.49 41.68 37.78 112.18 42.08 38.13 112.83 41.88 2 0 1000.00 -999 ? >GLU~B 115 43.59 110.65 41.56 45.61 111.11 42.02 44.60 110.88 41.79 2 0 1000.00 -999 ? >LEU~B 116 42.23 117.03 39.40 43.08 118.71 38.37 42.65 117.87 38.88 3 0 1000.00 -999 ? >ILE~B 117 39.25 118.19 43.53 38.14 117.93 44.36 38.69 118.06 43.95 3 0 1000.00 -999 ? >ASN~B 118 42.34 115.04 46.47 43.48 113.80 45.17 42.91 114.42 45.82 2 0 1000.00 -999 ? >LEU~B 119 46.30 116.78 43.16 47.64 115.19 42.61 46.97 115.98 42.88 3 0 1000.00 -999 ? >MET?B 120 45.10 120.88 44.58 45.30 123.97 43.05 45.20 122.43 43.82 2 0 1000.00 -999 ? >ARG~B 121 40.79 120.41 49.90 38.64 118.70 48.55 39.72 119.56 49.23 2 0 1000.00 -999 ? >GLY~B 122 47.45 119.44 49.03 47.31 120.11 48.56 47.38 119.78 48.79 1 0 1000.00 -999 ? >LEU~B 123 48.88 122.74 45.93 50.24 121.85 44.55 49.56 122.29 45.24 3 0 1000.00 -999 ? >VAL~B 124 46.62 125.32 48.70 45.07 125.47 47.20 45.84 125.39 47.95 3 0 1000.00 -999 ? >GLU~B 125 44.26 123.11 53.63 44.14 125.07 54.44 44.20 124.09 54.03 2 0 1000.00 -999 ? >THR~C 5 4.38 163.12 57.70 5.25 161.86 59.21 4.82 162.49 58.46 2 0 1000.00 -999 ? >PRO~C 6 7.50 166.09 57.00 6.48 164.51 55.83 6.99 165.30 56.42 3 0 1000.00 -999 ? >PHE~C 7 11.69 161.48 57.73 13.99 159.85 57.75 12.84 160.66 57.74 3 0 1000.00 -999 ? >ASP~C 8 6.28 159.02 56.47 6.22 158.95 58.59 6.25 158.98 57.53 2 0 1000.00 -999 ? >ALA~C 9 7.26 160.27 52.30 6.71 161.60 51.81 6.98 160.94 52.06 2 0 1000.00 -999 ? >LEU~C 10 11.87 161.76 52.62 13.78 162.53 52.02 12.83 162.14 52.32 3 0 1000.00 -999 ? >TRP~C 11 11.08 154.64 55.65 14.76 154.80 57.05 12.92 154.72 56.35 3 0 1000.00 -999 ? >GLN~C 12 7.03 155.24 52.29 7.41 153.17 52.65 7.22 154.21 52.47 2 0 1000.00 -999 ? >ARG~C 13 9.86 161.30 48.40 12.36 162.17 46.78 11.11 161.74 47.59 2 0 1000.00 -999 ? >MET?C 14 14.30 156.09 49.41 16.29 158.81 52.15 15.29 157.45 50.78 2 0 1000.00 -999 ? >LEU~C 15 11.84 152.26 51.14 11.98 151.66 53.20 11.91 151.96 52.17 3 0 1000.00 -999 ? >ALA~C 16 11.68 152.56 46.69 10.77 153.60 46.06 11.22 153.08 46.38 2 0 1000.00 -999 ? >ARG~C 17 16.92 156.32 44.43 15.79 159.14 44.94 16.35 157.73 44.69 2 0 1000.00 -999 ? >GLY.C 18 16.05 149.79 47.15 16.27 150.49 47.48 16.16 150.14 47.32 1 0 1000.00 -999 ? >TRP.C 19 19.44 153.07 47.60 19.00 156.96 47.65 19.22 155.01 47.63 3 0 1000.00 -999 ? >THR^C 20 18.59 149.55 53.02 20.02 148.02 52.46 19.30 148.78 52.74 2 0 1000.00 -999 ? >PRO^C 21 15.37 150.21 55.71 17.57 150.56 55.78 16.47 150.39 55.75 3 0 1000.00 -999 ? >VAL.C 22 20.25 150.87 59.07 22.27 151.62 58.75 21.26 151.24 58.91 3 0 1000.00 -999 ? >SER~C 23 20.50 151.52 62.80 20.21 149.42 64.02 20.35 150.47 63.41 2 0 1000.00 -999 ? >GLU~C 24 25.18 153.91 66.20 26.17 152.43 67.34 25.68 153.17 66.77 2 0 1000.00 -999 ? >SER~C 25 23.79 149.19 66.48 21.55 148.26 66.57 22.67 148.73 66.53 2 0 1000.00 -999 ? >ARG~C 26 21.40 144.75 62.95 22.82 142.51 61.42 22.11 143.63 62.18 2 0 1000.00 -999 ? >LEU~C 27 26.36 151.24 61.51 26.91 152.75 60.08 26.63 151.99 60.79 3 0 1000.00 -999 ? >ASP~C 28 30.00 147.57 62.91 30.79 149.31 63.80 30.39 148.44 63.36 2 0 1000.00 -999 ? >ASP~C 29 26.52 143.96 61.11 26.99 143.04 62.94 26.76 143.50 62.02 2 0 1000.00 -999 ? >TRP~C 30 24.01 147.33 55.19 25.85 150.49 53.74 24.93 148.91 54.47 3 0 1000.00 -999 ? >LEU~C 31 30.32 148.95 57.73 29.94 151.10 57.67 30.13 150.03 57.70 3 0 1000.00 -999 ? >THR~C 32 31.54 144.74 56.74 31.29 143.69 58.65 31.41 144.22 57.70 2 0 1000.00 -999 ? >GLN~C 33 26.76 143.53 54.69 25.89 144.41 52.96 26.33 143.97 53.83 2 0 1000.00 -999 ? >ALA.C 34 29.51 146.69 52.09 28.27 147.51 52.34 28.89 147.10 52.22 2 0 1000.00 -999 ? >PRO.C 35 33.25 146.18 50.06 32.52 147.44 51.75 32.88 146.81 50.90 3 0 1000.00 -999 ? >ASP.C 36 32.43 150.39 47.82 34.43 149.80 47.50 33.43 150.10 47.66 2 0 1000.00 -999 ? >GLY^C 37 29.01 152.25 50.62 29.60 152.76 50.72 29.31 152.50 50.67 1 0 1000.00 -999 ? >VAL^C 38 27.24 155.38 51.69 27.23 156.97 50.26 27.24 156.17 50.97 3 0 1000.00 -999 ? >VAL^C 39 25.07 156.19 54.70 25.41 155.23 56.62 25.24 155.71 55.66 3 0 1000.00 -999 ? >LEU^C 40 21.40 158.95 53.34 22.02 158.46 51.33 21.71 158.70 52.33 3 0 1000.00 -999 ? >LEU^C 41 23.06 161.48 58.34 24.47 160.17 59.26 23.76 160.82 58.80 3 0 1000.00 -999 ? >SER.C 42 18.70 163.05 57.51 17.76 162.17 55.45 18.23 162.61 56.48 2 0 1000.00 -999 ? >SER.C 43 16.95 165.78 59.53 18.78 167.18 60.24 17.86 166.48 59.88 2 0 1000.00 -999 ? >ASP.C 44 12.52 167.24 60.92 10.51 166.60 60.99 11.52 166.92 60.96 2 0 1000.00 -999 ? >PRO.C 45 12.02 165.62 55.74 12.38 167.51 56.81 12.20 166.56 56.27 3 0 1000.00 -999 ? >LYS.C 46 9.91 170.38 57.84 6.88 168.09 62.26 8.40 169.24 60.05 2 0 1000.00 -999 ? >ARG.C 47 13.78 173.65 62.30 14.09 171.92 64.82 13.94 172.79 63.56 2 0 1000.00 -999 ? >THR.C 48 14.83 172.17 56.46 16.75 171.19 56.61 15.79 171.68 56.53 2 0 1000.00 -999 ? >PRO.C 49 12.66 173.63 52.99 13.31 171.64 53.76 12.98 172.64 53.37 3 0 1000.00 -999 ? >GLU.C 50 17.45 173.11 52.12 16.85 173.92 50.23 17.15 173.51 51.17 2 0 1000.00 -999 ? >VAL.C 51 16.80 167.24 53.09 16.77 166.59 55.18 16.78 166.92 54.13 3 0 1000.00 -999 ? >SER~C 52 14.43 166.14 50.31 12.30 166.87 51.23 13.37 166.51 50.77 2 0 1000.00 -999 ? >ASP~C 53 17.16 168.48 47.15 15.48 169.64 46.73 16.32 169.06 46.94 2 0 1000.00 -999 ? >ASN~C 54 20.19 165.43 50.50 22.20 164.95 50.97 21.19 165.19 50.73 2 0 1000.00 -999 ? >PRO~C 55 17.21 162.21 50.00 18.81 162.58 48.51 18.01 162.39 49.26 3 0 1000.00 -999 ? >VAL~C 56 18.15 162.41 44.55 16.46 163.38 43.63 17.30 162.90 44.09 3 0 1000.00 -999 ? >MET?C 57 21.60 163.92 44.12 22.43 167.97 44.38 22.02 165.94 44.25 2 0 1000.00 -999 ? >ILE~C 58 23.25 160.77 47.38 23.60 160.55 48.73 23.42 160.66 48.05 3 0 1000.00 -999 ? >GLY~C 59 21.84 158.70 43.74 22.38 159.32 43.55 22.11 159.01 43.64 1 0 1000.00 -999 ? >GLU~C 60 21.38 161.78 39.95 20.67 160.38 38.53 21.03 161.08 39.24 2 0 1000.00 -999 ? >LEU~C 61 26.84 161.89 43.57 28.64 162.69 44.44 27.74 162.29 44.01 3 0 1000.00 -999 ? >LEU~C 62 26.22 156.56 43.50 26.37 156.09 45.59 26.30 156.32 44.55 3 0 1000.00 -999 ? >HIS~C 63 25.54 157.46 37.73 24.77 159.32 37.14 25.15 158.39 37.44 3 0 1000.00 -999 ? >GLU.C 64 28.87 161.19 38.57 29.53 161.71 36.64 29.20 161.45 37.61 2 0 1000.00 -999 ? >PHE.C 65 32.94 158.28 42.01 33.43 161.01 42.44 33.18 159.64 42.23 3 0 1000.00 -999 ? >PRO.C 66 31.12 154.36 36.84 31.82 153.76 38.86 31.47 154.06 37.85 3 0 1000.00 -999 ? >ASP.C 67 36.28 152.91 40.23 36.22 154.57 38.89 36.25 153.74 39.56 2 0 1000.00 -999 ? >TYR.C 68 34.40 153.11 44.41 36.68 154.73 44.55 35.54 153.92 44.48 3 0 1000.00 -999 ? >THR.C 69 30.67 148.62 44.32 30.94 146.82 45.50 30.81 147.72 44.91 2 0 1000.00 -999 ? >TRP.C 70 29.55 153.94 43.78 31.49 155.26 46.95 30.52 154.60 45.37 3 0 1000.00 -999 ? >GLN^C 71 25.36 147.79 48.98 25.83 146.21 50.32 25.60 147.00 49.65 2 0 1000.00 -999 ? >VAL^C 72 23.38 152.79 49.98 22.56 154.42 48.79 22.97 153.60 49.38 3 0 1000.00 -999 ? >ALA^C 73 22.14 152.83 53.56 23.11 152.34 54.61 22.63 152.59 54.08 2 0 1000.00 -999 ? >ILE^C 74 18.33 155.41 54.32 17.40 155.12 53.29 17.86 155.26 53.80 3 0 1000.00 -999 ? >ALA^C 75 18.99 156.09 58.72 20.17 156.53 59.54 19.58 156.31 59.13 2 0 1000.00 -999 ? >ASP~C 76 14.67 156.62 60.84 15.24 155.91 62.77 14.96 156.26 61.80 2 0 1000.00 -999 ? >LEU~C 77 14.47 161.42 62.62 13.50 162.79 61.27 13.99 162.11 61.94 3 0 1000.00 -999 ? >GLU~C 78 14.51 158.49 66.81 13.19 159.02 65.21 13.85 158.75 66.01 2 0 1000.00 -999 ? >GLN~C 79 18.44 154.36 63.94 19.34 154.05 65.86 18.89 154.20 64.90 2 0 1000.00 -999 ? >SER~C 80 20.77 159.56 61.96 19.48 159.85 59.95 20.13 159.70 60.96 2 0 1000.00 -999 ? >GLU~C 81 19.46 162.84 65.67 18.12 163.48 67.20 18.79 163.16 66.44 2 0 1000.00 -999 ? >ALA~C 82 23.07 158.30 66.64 22.38 156.96 66.82 22.73 157.63 66.73 2 0 1000.00 -999 ? >ILE~C 83 24.80 157.04 62.33 24.74 156.09 61.26 24.77 156.56 61.79 3 0 1000.00 -999 ? >GLY~C 84 26.08 161.19 63.25 26.19 160.69 63.92 26.14 160.94 63.59 1 0 1000.00 -999 ? >ASP~C 85 26.37 161.33 68.09 24.87 162.76 68.41 25.62 162.05 68.25 2 0 1000.00 -999 ? >ARG~C 86 29.57 154.89 65.56 30.28 152.19 64.28 29.93 153.54 64.92 2 0 1000.00 -999 ? >PHE~C 87 30.77 158.30 61.71 30.95 155.54 61.24 30.86 156.92 61.47 3 0 1000.00 -999 ? >GLY.C 88 31.11 163.86 64.33 30.61 163.54 63.77 30.86 163.70 64.05 1 0 1000.00 -999 ? >ALA.C 89 28.59 164.79 61.66 27.98 163.84 60.66 28.28 164.32 61.16 2 0 1000.00 -999 ? >PHE.C 90 27.83 167.56 65.38 28.70 165.77 67.36 28.26 166.66 66.37 3 0 1000.00 -999 ? >ARG.C 91 26.06 171.95 57.83 27.90 173.16 55.67 26.98 172.55 56.75 2 0 1000.00 -999 ? >PHE.C 92 22.11 165.80 59.93 23.06 163.70 61.50 22.58 164.75 60.72 3 0 1000.00 -999 ? >PRO.C 93 20.15 167.52 54.28 21.70 167.16 55.82 20.92 167.34 55.05 3 0 1000.00 -999 ? >ALA^C 94 25.03 164.52 55.69 25.66 164.48 57.06 25.34 164.50 56.37 2 0 1000.00 -999 ? >THR^C 95 26.40 161.55 53.79 25.82 161.29 51.74 26.11 161.42 52.77 2 0 1000.00 -999 ? >LEU^C 96 28.82 158.37 56.46 28.66 159.14 58.44 28.74 158.76 57.45 3 0 1000.00 -999 ? >VAL^C 97 31.37 157.78 52.63 31.82 158.79 50.77 31.59 158.28 51.70 3 0 1000.00 -999 ? >PHE^C 98 31.84 153.86 55.07 30.95 154.83 57.54 31.39 154.35 56.30 3 0 1000.00 -999 ? >THR^C 99 35.55 152.88 50.47 36.45 153.93 48.82 36.00 153.40 49.65 2 0 1000.00 -999 ? >GLY.C 100 37.15 149.47 50.87 36.69 149.92 51.40 36.92 149.69 51.14 1 0 1000.00 -999 ? >GLY.C 101 35.65 149.15 54.34 36.03 149.80 54.05 35.84 149.48 54.19 1 0 1000.00 -999 ? >ASN^C 102 38.67 152.71 54.70 39.98 151.10 55.19 39.32 151.91 54.95 2 0 1000.00 -999 ? >TYR^C 103 34.66 157.40 57.93 33.52 159.93 58.24 34.09 158.66 58.08 3 0 1000.00 -999 ? >ARG^C 104 38.38 156.67 52.03 40.53 154.52 51.67 39.46 155.59 51.85 2 0 1000.00 -999 ? >GLY^C 105 34.71 161.33 55.24 34.17 160.76 54.98 34.44 161.04 55.11 1 0 1000.00 -999 ? >VAL^C 106 31.35 163.08 55.13 30.44 164.14 56.80 30.90 163.61 55.96 3 0 1000.00 -999 ? >LEU^C 107 29.05 164.60 51.18 30.11 163.79 49.53 29.58 164.20 50.36 3 0 1000.00 -999 ? >ASN^C 108 28.14 168.19 55.79 29.99 169.21 55.81 29.06 168.70 55.80 2 0 1000.00 -999 ? >GLY.C 109 25.88 170.94 53.18 25.76 170.19 52.82 25.82 170.56 53.00 1 0 1000.00 -999 ? >ILE.C 110 23.05 172.21 49.69 22.03 173.13 49.19 22.54 172.67 49.44 3 0 1000.00 -999 ? >HIS.C 111 28.57 171.80 48.29 28.99 171.23 50.26 28.78 171.51 49.27 3 0 1000.00 -999 ? >PRO~C 112 27.08 174.92 43.14 26.41 172.86 43.62 26.75 173.89 43.38 3 0 1000.00 -999 ? >TRP~C 113 24.64 166.61 40.39 27.82 164.98 38.76 26.23 165.79 39.57 3 0 1000.00 -999 ? >ALA~C 114 29.88 170.21 39.82 30.20 171.37 38.89 30.04 170.79 39.36 2 0 1000.00 -999 ? >GLU~C 115 31.31 173.51 44.44 32.21 173.22 46.33 31.76 173.36 45.39 2 0 1000.00 -999 ? >LEU~C 116 28.30 167.33 44.42 27.37 165.87 45.71 27.83 166.60 45.06 3 0 1000.00 -999 ? >ILE~C 117 31.43 165.40 40.71 31.99 165.45 39.39 31.71 165.43 40.05 3 0 1000.00 -999 ? >ASN~C 118 35.32 168.47 42.58 34.47 169.97 43.83 34.90 169.22 43.20 2 0 1000.00 -999 ? >LEU~C 119 32.99 167.53 47.42 32.92 169.30 48.64 32.95 168.41 48.03 3 0 1000.00 -999 ? >MET?C 120 33.67 163.20 46.40 32.00 160.35 47.33 32.84 161.77 46.87 2 0 1000.00 -999 ? >ARG~C 121 37.78 162.62 40.93 36.08 164.27 38.96 36.93 163.45 39.94 2 0 1000.00 -999 ? >GLY~C 122 38.63 164.33 47.44 38.09 163.70 47.49 38.36 164.01 47.47 1 0 1000.00 -999 ? >LEU.C 123 35.76 161.56 50.00 34.83 162.74 51.53 35.29 162.15 50.76 3 0 1000.00 -999 ? >VAL.C 124 37.61 158.47 47.44 35.76 158.35 46.32 36.68 158.41 46.88 3 0 1000.00 -999 ? >GLU.C 125 42.29 159.99 44.16 42.81 157.96 43.73 42.55 158.97 43.94 2 0 1000.00 -999 ? >THR~D 5 -0.36 166.37 50.79 -1.27 167.94 49.58 -0.81 167.15 50.18 2 0 1000.00 -999 ? >PRO~D 6 1.32 163.71 47.65 2.02 165.21 49.10 1.67 164.46 48.38 3 0 1000.00 -999 ? >PHE~D 7 1.66 168.60 43.76 2.24 170.41 41.70 1.95 169.51 42.73 3 0 1000.00 -999 ? >ASP~D 8 1.04 170.68 49.44 -1.01 170.64 48.85 0.01 170.66 49.15 2 0 1000.00 -999 ? >ALA~D 9 5.36 169.63 49.71 5.71 168.26 50.31 5.54 168.95 50.01 2 0 1000.00 -999 ? >LEU~D 10 6.56 168.50 45.18 7.76 167.90 43.50 7.16 168.20 44.34 3 0 1000.00 -999 ? >TRP~D 11 3.05 175.46 45.42 2.87 175.53 41.51 2.96 175.49 43.47 3 0 1000.00 -999 ? >GLN~D 12 5.03 174.61 50.29 4.69 176.70 49.94 4.86 175.65 50.11 2 0 1000.00 -999 ? >ARG~D 13 9.92 168.93 48.43 12.25 168.29 46.52 11.09 168.61 47.48 2 0 1000.00 -999 ? >MET?D 14 10.08 174.46 44.22 8.27 171.90 41.35 9.18 173.18 42.79 2 0 1000.00 -999 ? >LEU~D 15 7.45 178.02 46.26 5.49 178.58 45.52 6.47 178.30 45.89 3 0 1000.00 -999 ? >ALA~D 16 11.64 177.88 47.81 12.02 176.79 48.79 11.83 177.33 48.30 2 0 1000.00 -999 ? >ARG~D 17 15.61 174.59 43.28 14.92 171.69 44.00 15.26 173.14 43.64 2 0 1000.00 -999 ? >GLY.D 18 12.40 180.94 43.69 12.20 180.25 43.33 12.30 180.60 43.51 1 0 1000.00 -999 ? >TRP.D 19 13.21 177.92 40.17 13.22 174.01 40.29 13.22 175.96 40.23 3 0 1000.00 -999 ? >THR^D 20 7.58 181.19 39.46 8.46 182.85 38.38 8.02 182.02 38.92 2 0 1000.00 -999 ? >PRO^D 21 4.07 180.18 41.62 4.69 180.01 39.49 4.38 180.10 40.56 3 0 1000.00 -999 ? >VAL.D 22 2.42 179.84 35.90 3.40 179.20 34.06 2.91 179.52 34.98 3 0 1000.00 -999 ? >SER~D 23 -1.01 179.07 34.44 -2.39 181.10 34.49 -1.70 180.08 34.47 2 0 1000.00 -999 ? >GLU~D 24 -2.63 176.90 28.80 -3.49 178.42 27.63 -3.06 177.66 28.22 2 0 1000.00 -999 ? >SER~D 25 -3.58 181.52 30.36 -4.37 182.25 32.53 -3.98 181.89 31.44 2 0 1000.00 -999 ? >ARG~D 26 -1.29 185.86 33.96 0.53 188.24 33.28 -0.38 187.05 33.62 2 0 1000.00 -999 ? >LEU~D 27 2.02 179.82 29.34 3.66 178.42 29.15 2.84 179.12 29.25 3 0 1000.00 -999 ? >ASP~D 28 1.61 183.71 25.69 1.11 182.02 24.53 1.36 182.86 25.11 2 0 1000.00 -999 ? >ASP~D 29 2.07 187.13 29.75 0.40 187.97 28.77 1.23 187.55 29.26 2 0 1000.00 -999 ? >TRP~D 30 7.08 183.76 33.76 9.20 180.79 32.29 8.14 182.28 33.03 3 0 1000.00 -999 ? >LEU~D 31 6.68 182.53 26.91 6.76 180.37 27.14 6.72 181.45 27.03 3 0 1000.00 -999 ? >THR~D 32 7.80 186.85 26.34 5.86 187.83 26.06 6.83 187.34 26.20 2 0 1000.00 -999 ? >GLN~D 33 8.22 187.75 31.57 9.63 186.86 32.89 8.93 187.30 32.23 2 0 1000.00 -999 ? >ALA.D 34 11.69 184.92 29.58 11.12 183.99 30.63 11.41 184.46 30.11 2 0 1000.00 -999 ? >PRO.D 35 14.74 185.80 26.70 12.98 184.42 26.79 13.86 185.11 26.75 3 0 1000.00 -999 ? >ASP.D 36 16.84 181.57 27.91 17.76 182.32 26.15 17.30 181.95 27.03 2 0 1000.00 -999 ? >GLY^D 37 13.21 179.41 30.16 13.33 178.94 29.53 13.27 179.17 29.84 1 0 1000.00 -999 ? >VAL^D 38 11.86 176.09 31.30 13.33 174.57 31.66 12.60 175.33 31.48 3 0 1000.00 -999 ? >VAL^D 39 8.38 175.03 32.35 6.61 175.95 31.52 7.50 175.49 31.94 3 0 1000.00 -999 ? >LEU^D 40 8.68 172.03 36.10 10.77 172.62 36.16 9.73 172.33 36.13 3 0 1000.00 -999 ? >LEU^D 41 4.59 169.47 32.79 4.08 170.89 31.26 4.33 170.18 32.03 3 0 1000.00 -999 ? >SER.D 42 4.12 167.55 37.08 5.70 168.48 38.69 4.91 168.02 37.88 2 0 1000.00 -999 ? >SER.D 43 1.81 164.65 37.95 1.79 163.37 35.89 1.80 164.01 36.92 2 0 1000.00 -999 ? >ASP.D 44 -0.80 162.81 41.62 -1.51 163.32 43.55 -1.16 163.07 42.59 2 0 1000.00 -999 ? >PRO.D 45 3.85 164.58 43.79 3.06 162.67 43.01 3.45 163.63 43.40 3 0 1000.00 -999 ? >LYS.D 46 1.48 159.59 44.83 -3.77 161.46 46.50 -1.15 160.53 45.66 2 0 1000.00 -999 ? >ARG.D 47 -1.37 156.48 39.58 -3.78 158.14 38.59 -2.57 157.31 39.08 2 0 1000.00 -999 ? >THR.D 48 4.42 158.24 40.51 4.82 159.37 38.69 4.62 158.80 39.60 2 0 1000.00 -999 ? >PRO.D 49 7.14 156.73 43.53 6.48 158.73 42.82 6.81 157.73 43.17 3 0 1000.00 -999 ? >GLU.D 50 9.40 157.64 39.32 11.06 156.85 40.43 10.23 157.25 39.87 2 0 1000.00 -999 ? >VAL.D 51 7.96 163.41 39.99 5.93 163.98 39.43 6.94 163.69 39.71 3 0 1000.00 -999 ? >SER~D 52 9.81 164.42 43.18 8.29 163.53 44.85 9.05 163.97 44.02 2 0 1000.00 -999 ? >ASP~D 53 13.77 162.41 41.43 13.71 161.13 43.07 13.74 161.77 42.25 2 0 1000.00 -999 ? >ASN~D 54 11.34 165.57 37.72 11.48 166.20 35.69 11.41 165.89 36.71 2 0 1000.00 -999 ? >PRO~D 55 10.73 168.56 40.90 12.66 168.36 39.82 11.70 168.46 40.36 3 0 1000.00 -999 ? >VAL~D 56 16.21 168.62 41.70 16.61 167.55 43.53 16.41 168.09 42.62 3 0 1000.00 -999 ? >MET?D 57 17.77 167.40 38.46 17.99 163.44 37.38 17.88 165.42 37.92 2 0 1000.00 -999 ? >ILE~D 58 15.01 170.54 36.06 13.83 170.73 35.32 14.42 170.63 35.69 3 0 1000.00 -999 ? >GLY~D 59 17.91 172.62 38.67 18.29 172.04 38.18 18.10 172.33 38.43 1 0 1000.00 -999 ? >GLU~D 60 21.53 169.64 40.10 22.58 171.04 41.31 22.06 170.34 40.71 2 0 1000.00 -999 ? >LEU~D 61 19.81 169.81 33.80 19.58 169.13 31.77 19.69 169.47 32.78 3 0 1000.00 -999 ? >LEU~D 62 19.36 175.09 34.75 17.40 175.50 33.97 18.38 175.30 34.36 3 0 1000.00 -999 ? >HIS~D 63 24.69 174.34 37.13 25.10 172.44 37.91 24.90 173.39 37.52 3 0 1000.00 -999 ? >GLU.D 64 25.14 170.84 33.45 27.20 170.43 33.41 26.17 170.63 33.43 2 0 1000.00 -999 ? >PHE.D 65 22.95 173.96 28.74 22.84 171.27 27.98 22.90 172.62 28.36 3 0 1000.00 -999 ? >PRO.D 66 27.11 177.90 32.31 25.36 178.48 31.07 26.24 178.19 31.69 3 0 1000.00 -999 ? >ASP.D 67 25.38 179.62 26.46 26.72 178.02 26.82 26.05 178.82 26.64 2 0 1000.00 -999 ? >TYR.D 68 20.85 179.15 26.93 21.49 177.71 24.63 21.17 178.43 25.78 3 0 1000.00 -999 ? >THR.D 69 19.53 183.33 30.78 18.38 185.10 30.29 18.95 184.22 30.53 2 0 1000.00 -999 ? >TRP.D 70 19.98 177.96 31.68 17.68 176.67 28.76 18.83 177.31 30.22 3 0 1000.00 -999 ? >GLN^D 71 13.44 183.62 34.42 12.23 185.21 33.65 12.84 184.42 34.04 2 0 1000.00 -999 ? >VAL^D 72 12.13 178.45 35.67 13.09 176.77 36.69 12.61 177.61 36.18 3 0 1000.00 -999 ? >ALA^D 73 8.36 178.16 35.69 7.63 178.65 34.44 8.00 178.40 35.07 2 0 1000.00 -999 ? >ILE^D 74 6.62 175.30 38.95 7.27 175.56 40.15 6.94 175.43 39.55 3 0 1000.00 -999 ? >ALA^D 75 2.67 174.52 36.90 2.28 174.15 35.47 2.47 174.33 36.19 2 0 1000.00 -999 ? >ASP~D 76 -0.66 173.50 40.30 -2.35 174.21 39.22 -1.50 173.86 39.76 2 0 1000.00 -999 ? >LEU~D 77 -2.14 168.69 39.58 -1.09 167.31 40.85 -1.62 168.00 40.22 3 0 1000.00 -999 ? >GLU~D 78 -6.26 171.47 38.45 -5.10 170.93 40.18 -5.68 171.20 39.31 2 0 1000.00 -999 ? >GLN~D 79 -2.57 176.01 35.87 -4.14 176.31 34.41 -3.36 176.16 35.14 2 0 1000.00 -999 ? >SER~D 80 0.34 171.07 33.94 1.89 170.76 35.76 1.12 170.92 34.85 2 0 1000.00 -999 ? >GLU~D 81 -3.41 167.60 33.82 -5.24 166.77 34.58 -4.32 167.18 34.20 2 0 1000.00 -999 ? >ALA~D 82 -3.48 172.35 30.38 -3.94 173.65 31.08 -3.71 173.00 30.73 2 0 1000.00 -999 ? >ILE~D 83 1.09 173.90 30.19 2.02 174.86 30.65 1.55 174.38 30.42 3 0 1000.00 -999 ? >GLY~D 84 0.87 169.84 28.40 0.23 170.31 28.12 0.55 170.08 28.26 1 0 1000.00 -999 ? >ASP~D 85 -3.65 169.57 26.65 -4.30 168.01 27.90 -3.97 168.79 27.28 2 0 1000.00 -999 ? >ARG~D 86 -0.64 176.32 24.74 0.66 179.10 24.70 0.01 177.71 24.72 2 0 1000.00 -999 ? >PHE~D 87 3.59 173.14 24.64 3.95 175.92 24.81 3.77 174.53 24.72 3 0 1000.00 -999 ? >GLY~D 88 1.51 167.55 23.16 1.87 167.84 23.82 1.69 167.70 23.49 1 0 1000.00 -999 ? >ALA.D 89 3.32 166.49 26.31 4.06 167.40 27.26 3.69 166.94 26.78 2 0 1000.00 -999 ? >PHE.D 90 -0.30 163.54 25.69 -2.03 165.30 24.35 -1.16 164.42 25.02 3 0 1000.00 -999 ? >ARG.D 91 6.55 159.26 29.41 9.24 158.26 28.24 7.89 158.76 28.83 2 0 1000.00 -999 ? >PHE.D 92 3.03 165.04 32.92 1.73 167.19 31.70 2.38 166.11 32.31 3 0 1000.00 -999 ? >PRO.D 93 7.83 163.35 36.47 6.87 163.77 34.51 7.35 163.56 35.49 3 0 1000.00 -999 ? >ALA^D 94 7.88 166.68 31.57 6.75 166.74 30.56 7.31 166.71 31.06 2 0 1000.00 -999 ? >THR^D 95 9.93 169.82 31.05 11.69 170.10 32.23 10.81 169.96 31.64 2 0 1000.00 -999 ? >LEU^D 96 7.99 173.09 28.10 6.06 172.25 27.58 7.03 172.67 27.84 3 0 1000.00 -999 ? >VAL^D 97 12.38 174.02 26.96 14.35 173.09 27.04 13.36 173.56 27.00 3 0 1000.00 -999 ? >PHE^D 98 9.98 177.85 25.98 7.40 176.70 26.00 8.69 177.28 25.99 3 0 1000.00 -999 ? >THR^D 99 15.43 179.28 23.98 17.33 178.37 23.58 16.38 178.83 23.78 2 0 1000.00 -999 ? >GLY.D 100 15.35 182.78 22.54 14.73 182.27 22.79 15.04 182.53 22.67 1 0 1000.00 -999 ? >GLY.D 101 11.57 182.86 22.94 12.00 182.26 22.60 11.79 182.56 22.77 1 0 1000.00 -999 ? >ASN^D 102 12.38 179.55 19.70 12.24 181.25 18.41 12.31 180.40 19.05 2 0 1000.00 -999 ? >TYR^D 103 8.34 174.44 22.19 7.82 171.82 23.02 8.08 173.13 22.61 3 0 1000.00 -999 ? >ARG^D 104 15.02 175.66 20.55 15.93 177.97 18.77 15.47 176.81 19.66 2 0 1000.00 -999 ? >GLY^D 105 11.15 170.61 22.75 11.19 171.14 23.38 11.17 170.88 23.07 1 0 1000.00 -999 ? >VAL^D 106 10.29 168.63 25.84 8.45 167.47 26.11 9.37 168.05 25.98 3 0 1000.00 -999 ? >LEU^D 107 13.39 167.06 29.17 15.24 168.01 28.67 14.32 167.54 28.92 3 0 1000.00 -999 ? >ASN^D 108 8.95 163.26 28.35 9.54 162.39 26.52 9.25 162.82 27.43 2 0 1000.00 -999 ? >GLY.D 109 10.88 160.40 31.10 11.14 161.15 31.38 11.01 160.78 31.24 1 0 1000.00 -999 ? >ILE.D 110 13.40 159.06 34.81 13.62 158.07 35.88 13.51 158.56 35.34 3 0 1000.00 -999 ? >HIS.D 111 16.40 159.93 30.05 14.63 160.48 29.07 15.51 160.21 29.56 3 0 1000.00 -999 ? >PRO~D 112 21.00 156.87 32.86 20.22 158.87 33.48 20.61 157.87 33.17 3 0 1000.00 -999 ? >TRP~D 113 22.38 165.07 36.55 24.84 166.99 34.17 23.61 166.03 35.36 3 0 1000.00 -999 ? >ALA~D 114 24.75 161.91 31.55 25.79 160.79 31.46 25.27 161.35 31.51 2 0 1000.00 -999 ? >GLU~D 115 21.00 158.58 28.54 19.47 158.88 27.12 20.24 158.73 27.83 2 0 1000.00 -999 ? >LEU~D 116 19.74 164.49 31.80 18.15 165.84 32.37 18.95 165.16 32.08 3 0 1000.00 -999 ? >ILE~D 117 24.11 166.78 30.11 25.54 166.82 29.99 24.82 166.80 30.05 3 0 1000.00 -999 ? >ASN~D 118 23.71 163.97 25.64 22.33 162.39 25.95 23.02 163.18 25.80 2 0 1000.00 -999 ? >LEU~D 119 18.36 164.57 26.42 17.27 162.75 25.97 17.81 163.66 26.19 3 0 1000.00 -999 ? >MET?D 120 19.27 168.97 26.35 17.69 171.61 27.87 18.48 170.29 27.11 2 0 1000.00 -999 ? >ARG~D 121 25.72 170.04 24.21 27.17 168.33 26.32 26.44 169.19 25.26 2 0 1000.00 -999 ? >GLY~D 122 19.89 168.20 21.25 19.64 168.77 21.79 19.77 168.48 21.52 1 0 1000.00 -999 ? >LEU~D 123 16.45 170.66 23.39 14.77 169.37 23.70 15.61 170.01 23.54 3 0 1000.00 -999 ? >VAL~D 124 19.26 173.95 22.60 19.74 173.97 24.72 19.50 173.96 23.66 3 0 1000.00 -999 ? >GLU~D 125 24.04 173.98 19.44 23.23 175.53 18.23 23.63 174.76 18.84 2 0 1000.00 -999 ? >THR~E 5 19.44 148.11 25.43 18.29 149.15 26.90 18.87 148.63 26.17 2 0 1000.00 -999 ? >PRO~E 6 16.58 144.88 24.67 17.43 146.58 23.54 17.00 145.73 24.10 3 0 1000.00 -999 ? >PHE~E 7 11.88 148.95 25.45 9.41 150.30 25.49 10.64 149.63 25.47 3 0 1000.00 -999 ? >ASP~E 8 16.98 152.04 24.30 17.03 152.08 26.42 17.01 152.06 25.36 2 0 1000.00 -999 ? >ALA~E 9 16.21 150.76 20.13 16.92 149.51 19.63 16.56 150.13 19.88 2 0 1000.00 -999 ? >LEU~E 10 11.81 148.77 20.36 10.02 147.79 19.71 10.91 148.28 20.04 3 0 1000.00 -999 ? >TRP~E 11 11.72 155.87 23.51 8.08 155.24 24.86 9.90 155.56 24.19 3 0 1000.00 -999 ? >GLN~E 12 15.85 155.79 20.22 15.23 157.81 20.61 15.54 156.80 20.41 2 0 1000.00 -999 ? >ARG~E 13 13.79 149.55 16.15 11.44 148.42 14.50 12.61 148.98 15.32 2 0 1000.00 -999 ? >MET?E 14 8.74 154.19 17.19 7.06 151.23 19.84 7.90 152.71 18.52 2 0 1000.00 -999 ? >LEU~E 15 10.73 158.23 19.05 10.50 158.78 21.13 10.62 158.50 20.09 3 0 1000.00 -999 ? >ALA~E 16 10.99 158.08 14.57 12.01 157.16 13.94 11.50 157.62 14.26 2 0 1000.00 -999 ? >ARG~E 17 6.27 153.78 12.18 7.67 151.08 12.66 6.97 152.43 12.42 2 0 1000.00 -999 ? >GLY.E 18 6.31 160.29 15.02 6.17 159.57 15.33 6.24 159.93 15.18 1 0 1000.00 -999 ? >TRP.E 19 3.37 156.64 15.34 4.27 152.83 15.33 3.82 154.73 15.34 3 0 1000.00 -999 ? >THR^E 20 3.70 160.11 20.87 2.12 161.49 20.35 2.91 160.80 20.61 2 0 1000.00 -999 ? >PRO^E 21 6.93 159.78 23.59 4.78 159.17 23.65 5.86 159.48 23.62 3 0 1000.00 -999 ? >VAL.E 22 2.12 158.49 26.88 0.20 157.47 26.54 1.16 157.98 26.71 3 0 1000.00 -999 ? >SER~E 23 1.90 157.73 30.61 2.00 159.84 31.85 1.95 158.78 31.23 2 0 1000.00 -999 ? >GLU~E 24 -2.50 154.72 33.87 -3.65 156.10 35.00 -3.07 155.41 34.44 2 0 1000.00 -999 ? >SER~E 25 -1.67 159.59 34.25 0.48 160.71 34.39 -0.60 160.15 34.32 2 0 1000.00 -999 ? >ARG~E 26 0.21 164.32 30.85 -1.42 166.40 29.37 -0.61 165.36 30.11 2 0 1000.00 -999 ? >LEU~E 27 -3.91 157.36 29.22 -4.28 155.84 27.77 -4.10 156.60 28.49 3 0 1000.00 -999 ? >ASP~E 28 -7.98 160.53 30.64 -8.59 158.71 31.47 -8.29 159.62 31.06 2 0 1000.00 -999 ? >ASP~E 29 -4.93 164.57 28.97 -5.53 165.37 30.82 -5.23 164.97 29.90 2 0 1000.00 -999 ? >TRP~E 30 -1.98 161.65 23.04 -3.37 158.31 21.51 -2.68 159.98 22.27 3 0 1000.00 -999 ? >LEU~E 31 -8.06 159.23 25.44 -7.48 157.13 25.33 -7.77 158.18 25.39 3 0 1000.00 -999 ? >THR~E 32 -9.74 163.31 24.52 -9.65 164.35 26.44 -9.70 163.83 25.48 2 0 1000.00 -999 ? >GLN~E 33 -5.16 165.11 22.56 -4.15 164.36 20.83 -4.66 164.73 21.70 2 0 1000.00 -999 ? >ALA.E 34 -7.47 161.72 19.84 -6.13 161.04 20.08 -6.80 161.38 19.96 2 0 1000.00 -999 ? >PRO.E 35 -11.23 161.85 17.81 -10.37 160.62 19.47 -10.80 161.23 18.64 3 0 1000.00 -999 ? >ASP.E 36 -9.89 157.79 15.48 -11.98 158.15 15.17 -10.93 157.97 15.32 2 0 1000.00 -999 ? >GLY^E 37 -6.32 156.31 18.32 -6.85 155.73 18.39 -6.58 156.02 18.36 1 0 1000.00 -999 ? >VAL^E 38 -4.22 153.35 19.31 -4.00 151.83 17.83 -4.11 152.59 18.57 3 0 1000.00 -999 ? >VAL^E 39 -2.00 152.75 22.32 -2.45 153.63 24.23 -2.23 153.19 23.28 3 0 1000.00 -999 ? >LEU^E 40 2.01 150.45 20.97 1.35 150.91 18.97 1.68 150.68 19.97 3 0 1000.00 -999 ? >LEU^E 41 0.57 147.61 25.89 -1.00 148.75 26.81 -0.21 148.18 26.35 3 0 1000.00 -999 ? >SER.E 42 5.10 146.57 25.08 5.93 147.68 23.08 5.52 147.12 24.08 2 0 1000.00 -999 ? >SER.E 43 7.16 144.03 27.06 5.50 142.37 27.75 6.33 143.20 27.40 2 0 1000.00 -999 ? >ASP.E 44 11.69 143.10 28.51 13.63 143.96 28.62 12.66 143.53 28.56 2 0 1000.00 -999 ? >PRO.E 45 12.05 144.87 23.36 11.92 142.91 24.39 11.99 143.89 23.87 3 0 1000.00 -999 ? >LYS.E 46 14.68 140.33 25.41 17.41 142.84 29.88 16.04 141.58 27.65 2 0 1000.00 -999 ? >ARG.E 47 11.16 136.53 29.73 10.60 138.17 32.28 10.88 137.35 31.01 2 0 1000.00 -999 ? >THR.E 48 10.02 138.01 23.91 8.00 138.77 24.05 9.01 138.39 23.98 2 0 1000.00 -999 ? >PRO.E 49 12.36 136.89 20.44 11.50 138.77 21.25 11.93 137.83 20.84 3 0 1000.00 -999 ? >GLU.E 50 7.59 136.86 19.52 8.30 136.18 17.64 7.94 136.52 18.58 2 0 1000.00 -999 ? >VAL.E 51 7.52 142.73 20.61 7.45 143.34 22.71 7.49 143.04 21.66 3 0 1000.00 -999 ? >SER~E 52 9.79 144.15 17.88 11.97 143.67 18.82 10.88 143.91 18.35 2 0 1000.00 -999 ? >ASP~E 53 7.37 141.61 14.65 9.20 140.65 14.22 8.29 141.13 14.43 2 0 1000.00 -999 ? >ASN~E 54 3.98 144.22 18.01 1.91 144.46 18.47 2.95 144.34 18.24 2 0 1000.00 -999 ? >PRO~E 55 6.58 147.75 17.63 5.05 147.23 16.10 5.81 147.49 16.86 3 0 1000.00 -999 ? >VAL~E 56 5.73 147.58 12.15 7.55 146.83 11.25 6.64 147.21 11.70 3 0 1000.00 -999 ? >MET?E 57 2.48 145.68 11.64 2.21 141.57 11.85 2.35 143.63 11.74 2 0 1000.00 -999 ? >ILE~E 58 0.47 148.57 14.96 0.07 148.72 16.30 0.27 148.64 15.63 3 0 1000.00 -999 ? >GLY~E 59 1.64 150.88 11.37 1.19 150.19 11.16 1.41 150.53 11.27 1 0 1000.00 -999 ? >GLU~E 60 2.49 147.96 7.55 3.05 149.48 6.18 2.77 148.72 6.87 2 0 1000.00 -999 ? >LEU~E 61 -2.98 147.11 11.05 -4.67 146.10 11.90 -3.82 146.61 11.48 3 0 1000.00 -999 ? >LEU~E 62 -2.95 152.48 11.12 -3.20 152.90 13.22 -3.08 152.69 12.17 3 0 1000.00 -999 ? >HIS~E 63 -2.13 151.78 5.34 -1.14 150.03 4.74 -1.64 150.91 5.04 3 0 1000.00 -999 ? >GLU.E 64 -5.02 147.69 6.05 -5.58 147.14 4.09 -5.30 147.41 5.07 2 0 1000.00 -999 ? >PHE.E 65 -9.44 150.02 9.50 -9.59 147.26 9.86 -9.51 148.64 9.68 3 0 1000.00 -999 ? >PRO.E 66 -8.03 154.23 4.41 -8.81 154.71 6.45 -8.42 154.47 5.43 3 0 1000.00 -999 ? >ASP.E 67 -13.36 155.02 7.80 -13.10 153.40 6.44 -13.23 154.21 7.12 2 0 1000.00 -999 ? >TYR.E 68 -11.50 154.95 11.99 -13.57 153.08 12.10 -12.53 154.02 12.04 3 0 1000.00 -999 ? >THR.E 69 -8.31 159.86 12.02 -8.79 161.57 13.26 -8.55 160.71 12.64 2 0 1000.00 -999 ? >TRP.E 70 -6.63 154.75 11.41 -8.38 153.08 14.50 -7.51 153.91 12.96 3 0 1000.00 -999 ? >GLN^E 71 -3.18 161.16 16.78 -3.87 162.63 18.16 -3.53 161.90 17.47 2 0 1000.00 -999 ? >VAL^E 72 -0.64 156.43 17.70 0.37 154.92 16.51 -0.13 155.68 17.11 3 0 1000.00 -999 ? >ALA^E 73 0.52 156.42 21.31 -0.52 156.72 22.38 0.00 156.57 21.84 2 0 1000.00 -999 ? >ILE^E 74 4.64 154.32 22.06 5.54 154.74 21.08 5.09 154.53 21.57 3 0 1000.00 -999 ? >ALA^E 75 3.99 153.44 26.42 2.85 152.85 27.22 3.42 153.15 26.82 2 0 1000.00 -999 ? >ASP~E 76 8.34 153.35 28.60 7.67 153.96 30.52 8.01 153.66 29.56 2 0 1000.00 -999 ? >LEU~E 77 9.04 148.60 30.29 10.18 147.37 28.95 9.61 147.99 29.62 3 0 1000.00 -999 ? >GLU~E 78 8.64 151.43 34.53 10.01 151.08 32.92 9.33 151.25 33.73 2 0 1000.00 -999 ? >GLN~E 79 4.25 155.11 31.69 3.30 155.24 33.61 3.77 155.18 32.65 2 0 1000.00 -999 ? >SER~E 80 2.57 149.71 29.58 3.94 149.61 27.59 3.25 149.66 28.59 2 0 1000.00 -999 ? >GLU~E 81 4.22 146.53 33.22 5.63 146.05 34.74 4.92 146.29 33.98 2 0 1000.00 -999 ? >ALA~E 82 0.09 150.59 34.26 0.60 152.00 34.48 0.34 151.29 34.37 2 0 1000.00 -999 ? >ILE~E 83 -1.68 151.73 29.94 -1.71 152.71 28.91 -1.70 152.22 29.43 3 0 1000.00 -999 ? >GLY~E 84 -2.51 147.45 30.72 -2.68 147.90 31.40 -2.60 147.68 31.06 1 0 1000.00 -999 ? >ASP~E 85 -2.81 147.21 35.56 -1.14 145.95 35.86 -1.97 146.58 35.71 2 0 1000.00 -999 ? >ARG~E 86 -6.72 153.27 33.15 -7.72 155.90 31.92 -7.22 154.58 32.54 2 0 1000.00 -999 ? >PHE~E 87 -7.48 149.82 29.21 -7.97 152.54 28.83 -7.72 151.18 29.02 3 0 1000.00 -999 ? >GLY~E 88 -7.22 144.21 31.74 -6.75 144.60 31.19 -6.98 144.40 31.46 1 0 1000.00 -999 ? >ALA.E 89 -4.58 143.63 29.08 -4.08 144.65 28.10 -4.33 144.14 28.59 2 0 1000.00 -999 ? >PHE.E 90 -3.56 140.86 32.74 -4.61 142.46 34.76 -4.09 141.66 33.75 3 0 1000.00 -999 ? >ARG.E 91 -1.19 136.88 25.14 -2.86 135.50 22.94 -2.03 136.19 24.04 2 0 1000.00 -999 ? >PHE.E 92 1.99 143.44 27.37 0.80 145.38 29.03 1.39 144.41 28.20 3 0 1000.00 -999 ? >PRO.E 93 4.22 142.02 21.74 2.61 142.18 23.26 3.42 142.10 22.50 3 0 1000.00 -999 ? >ALA^E 94 -0.99 144.46 23.15 -1.62 144.42 24.53 -1.30 144.44 23.84 2 0 1000.00 -999 ? >THR^E 95 -2.68 147.27 21.29 -2.13 147.63 19.27 -2.41 147.45 20.28 2 0 1000.00 -999 ? >LEU^E 96 -5.49 150.10 24.01 -5.27 149.31 25.96 -5.38 149.70 24.98 3 0 1000.00 -999 ? >VAL^E 97 -8.03 150.50 20.15 -8.33 149.46 18.25 -8.18 149.98 19.20 3 0 1000.00 -999 ? >PHE^E 98 -9.00 154.22 22.67 -8.02 153.33 25.11 -8.51 153.78 23.89 3 0 1000.00 -999 ? >THR^E 99 -12.73 154.92 18.05 -13.50 153.79 16.37 -13.12 154.35 17.21 2 0 1000.00 -999 ? >GLY.E 100 -14.72 158.11 18.49 -14.22 157.70 19.02 -14.47 157.90 18.75 1 0 1000.00 -999 ? >GLY.E 101 -13.30 158.53 21.98 -13.60 157.85 21.68 -13.45 158.19 21.83 1 0 1000.00 -999 ? >ASN^E 102 -15.90 154.63 22.21 -17.40 156.04 22.73 -16.65 155.34 22.47 2 0 1000.00 -999 ? >TYR^E 103 -11.39 150.35 25.42 -9.95 147.97 25.70 -10.67 149.16 25.56 3 0 1000.00 -999 ? >ARG^E 104 -15.11 150.77 19.51 -17.49 152.66 19.13 -16.30 151.72 19.32 2 0 1000.00 -999 ? >GLY^E 105 -10.95 146.50 22.61 -10.48 147.14 22.38 -10.72 146.82 22.50 1 0 1000.00 -999 ? >VAL^E 106 -7.42 145.16 22.53 -6.43 144.16 24.19 -6.92 144.66 23.36 3 0 1000.00 -999 ? >LEU^E 107 -4.90 144.01 18.60 -6.09 144.73 16.96 -5.49 144.37 17.78 3 0 1000.00 -999 ? >ASN^E 108 -3.66 140.42 23.12 -5.38 139.20 23.11 -4.52 139.81 23.11 2 0 1000.00 -999 ? >GLY.E 109 -1.09 138.01 20.49 -1.05 138.77 20.16 -1.07 138.39 20.33 1 0 1000.00 -999 ? >ILE.E 110 1.92 137.17 17.01 3.05 136.38 16.52 2.49 136.78 16.77 3 0 1000.00 -999 ? >HIS.E 111 -3.56 136.96 15.55 -4.06 137.42 17.53 -3.81 137.19 16.54 3 0 1000.00 -999 ? >PRO~E 112 -1.70 134.14 10.37 -1.27 136.26 10.90 -1.49 135.20 10.63 3 0 1000.00 -999 ? >TRP~E 113 -0.18 142.76 7.82 -3.52 144.04 6.18 -1.85 143.40 7.00 3 0 1000.00 -999 ? >ALA~E 114 -4.96 138.58 7.11 -5.12 137.39 6.17 -5.04 137.98 6.64 2 0 1000.00 -999 ? >GLU~E 115 -6.07 135.04 11.63 -7.02 135.19 13.52 -6.54 135.12 12.57 2 0 1000.00 -999 ? >LEU~E 116 -3.77 141.51 11.78 -3.05 143.04 13.10 -3.41 142.28 12.44 3 0 1000.00 -999 ? >ILE~E 117 -7.06 143.17 8.09 -7.61 143.09 6.75 -7.34 143.13 7.42 3 0 1000.00 -999 ? >ASN~E 118 -10.59 139.61 9.82 -9.60 138.20 11.06 -10.09 138.90 10.44 2 0 1000.00 -999 ? >LEU~E 119 -8.42 140.73 14.70 -8.18 138.95 15.88 -8.30 139.84 15.29 3 0 1000.00 -999 ? >MET?E 120 -9.61 144.96 13.79 -8.34 147.98 14.77 -8.97 146.47 14.28 2 0 1000.00 -999 ? >ARG~E 121 -13.71 145.17 8.26 -11.83 143.77 6.26 -12.77 144.47 7.26 2 0 1000.00 -999 ? >GLY~E 122 -14.44 143.24 14.73 -13.98 143.93 14.81 -14.21 143.59 14.77 1 0 1000.00 -999 ? >LEU.E 123 -11.92 146.27 17.36 -10.89 145.17 18.90 -11.41 145.72 18.13 3 0 1000.00 -999 ? >VAL.E 124 -14.09 149.19 14.87 -12.26 149.55 13.77 -13.17 149.37 14.32 3 0 1000.00 -999 ? >GLU.E 125 -18.68 146.89 11.89 -20.32 148.19 12.23 -19.50 147.54 12.06 2 0 1000.00 -999 ? >THR~F 5 25.45 142.03 18.98 26.49 140.59 17.65 25.97 141.31 18.32 2 0 1000.00 -999 ? >PRO~F 6 24.34 144.93 15.77 23.36 143.44 17.13 23.85 144.18 16.45 3 0 1000.00 -999 ? >PHE~F 7 23.65 140.30 11.63 22.99 138.66 9.46 23.32 139.48 10.54 3 0 1000.00 -999 ? >ASP~F 8 23.75 137.90 17.22 25.80 137.72 16.71 24.78 137.81 16.96 2 0 1000.00 -999 ? >ALA~F 9 19.57 139.43 17.36 19.35 140.79 18.00 19.46 140.11 17.68 2 0 1000.00 -999 ? >LEU~F 10 18.73 140.89 12.85 17.69 141.71 11.15 18.21 141.30 12.00 3 0 1000.00 -999 ? >TRP~F 11 21.42 133.58 12.87 21.76 133.67 8.95 21.59 133.63 10.91 3 0 1000.00 -999 ? >GLN~F 12 19.34 134.39 17.65 19.45 132.29 17.23 19.39 133.34 17.44 2 0 1000.00 -999 ? >ARG~F 13 15.19 140.66 15.90 13.02 141.65 13.94 14.10 141.16 14.92 2 0 1000.00 -999 ? >MET?F 14 14.62 135.41 11.41 16.81 137.91 8.61 15.71 136.66 10.01 2 0 1000.00 -999 ? >LEU~F 15 16.76 131.50 13.38 18.68 130.75 12.70 17.72 131.13 13.04 3 0 1000.00 -999 ? >ALA~F 16 12.53 132.03 14.74 12.22 133.11 15.76 12.37 132.57 15.25 2 0 1000.00 -999 ? >ARG~F 17 9.17 135.94 10.23 10.17 138.72 11.15 9.67 137.33 10.69 2 0 1000.00 -999 ? >GLY.F 18 11.64 129.26 10.46 11.95 129.94 10.15 11.80 129.60 10.30 1 0 1000.00 -999 ? >TRP.F 19 11.32 132.51 7.03 11.75 136.39 7.38 11.54 134.45 7.20 3 0 1000.00 -999 ? >THR^F 20 16.58 128.67 6.43 15.57 127.18 5.24 16.08 127.92 5.83 2 0 1000.00 -999 ? >PRO^F 21 20.07 129.17 8.80 19.59 129.52 6.65 19.83 129.35 7.73 3 0 1000.00 -999 ? >VAL.F 22 22.05 129.61 3.17 21.25 130.44 1.29 21.65 130.03 2.23 3 0 1000.00 -999 ? >SER~F 23 25.61 130.04 1.91 26.73 127.89 1.91 26.17 128.96 1.91 2 0 1000.00 -999 ? >GLU~F 24 27.74 132.26 -3.53 28.48 130.68 -4.76 28.11 131.47 -4.15 2 0 1000.00 -999 ? >SER~F 25 28.11 127.50 -2.21 28.74 126.64 -0.02 28.42 127.07 -1.11 2 0 1000.00 -999 ? >ARG~F 26 25.11 123.28 1.08 23.10 121.13 0.20 24.11 122.20 0.64 2 0 1000.00 -999 ? >LEU~F 27 22.76 129.87 -3.37 21.33 131.45 -3.52 22.05 130.66 -3.44 3 0 1000.00 -999 ? >ASP~F 28 22.92 126.12 -7.19 23.63 127.79 -8.26 23.28 126.96 -7.72 2 0 1000.00 -999 ? >ASP~F 29 21.91 122.63 -3.32 23.53 121.64 -4.27 22.72 122.13 -3.79 2 0 1000.00 -999 ? >TRP~F 30 17.09 126.32 0.65 15.38 129.58 -0.75 16.24 127.95 -0.05 3 0 1000.00 -999 ? >LEU~F 31 17.96 127.80 -6.15 18.11 129.94 -5.79 18.03 128.87 -5.97 3 0 1000.00 -999 ? >THR~F 32 16.41 123.66 -6.97 18.25 122.49 -7.23 17.33 123.08 -7.10 2 0 1000.00 -999 ? >GLN~F 33 15.62 122.58 -1.81 14.29 123.57 -0.50 14.95 123.07 -1.16 2 0 1000.00 -999 ? >ALA.F 34 12.59 125.89 -3.81 13.22 126.69 -2.68 12.90 126.29 -3.24 2 0 1000.00 -999 ? >PRO.F 35 9.62 125.49 -6.85 11.49 126.66 -6.63 10.56 126.08 -6.74 3 0 1000.00 -999 ? >ASP.F 36 7.93 129.88 -5.54 7.04 129.30 -7.37 7.49 129.59 -6.45 2 0 1000.00 -999 ? >GLY^F 37 11.68 131.50 -3.02 11.64 132.01 -3.63 11.66 131.76 -3.32 1 0 1000.00 -999 ? >VAL^F 38 13.31 134.59 -1.64 12.02 136.27 -1.25 12.67 135.43 -1.45 3 0 1000.00 -999 ? >VAL^F 39 16.84 135.19 -0.36 18.52 134.09 -1.19 17.68 134.64 -0.77 3 0 1000.00 -999 ? >LEU^F 40 16.67 138.05 3.49 14.55 137.65 3.43 15.61 137.85 3.46 3 0 1000.00 -999 ? >LEU^F 41 21.22 140.24 0.49 21.62 138.87 -1.08 21.42 139.56 -0.30 3 0 1000.00 -999 ? >SER.F 42 21.67 141.91 4.88 19.84 141.13 6.29 20.76 141.52 5.58 2 0 1000.00 -999 ? >SER.F 43 24.21 144.50 6.03 24.56 145.86 4.05 24.38 145.18 5.04 2 0 1000.00 -999 ? >ASP.F 44 26.85 145.85 9.91 27.42 145.19 11.84 27.14 145.52 10.88 2 0 1000.00 -999 ? >PRO.F 45 21.90 144.52 11.80 22.95 146.37 11.15 22.42 145.44 11.47 3 0 1000.00 -999 ? >LYS.F 46 24.78 149.16 13.18 29.70 146.61 14.97 27.24 147.88 14.07 2 0 1000.00 -999 ? >ARG.F 47 28.21 152.16 8.20 30.45 150.26 7.24 29.33 151.21 7.72 2 0 1000.00 -999 ? >THR.F 48 22.23 151.06 8.80 21.80 150.06 6.91 22.01 150.56 7.85 2 0 1000.00 -999 ? >PRO.F 49 19.54 152.71 11.79 20.00 150.69 11.00 19.77 151.70 11.40 3 0 1000.00 -999 ? >GLU.F 50 17.37 152.24 7.43 15.80 153.14 8.52 16.59 152.69 7.98 2 0 1000.00 -999 ? >VAL.F 51 18.15 146.34 7.86 20.14 145.56 7.34 19.15 145.95 7.60 3 0 1000.00 -999 ? >SER~F 52 16.04 145.44 10.93 17.55 146.11 12.72 16.79 145.78 11.83 2 0 1000.00 -999 ? >ASP~F 53 12.39 147.91 9.09 12.52 149.11 10.79 12.46 148.51 9.94 2 0 1000.00 -999 ? >ASN~F 54 14.66 144.69 5.34 14.58 144.18 3.28 14.62 144.43 4.31 2 0 1000.00 -999 ? >PRO~F 55 14.78 141.51 8.41 12.95 141.97 7.26 13.87 141.74 7.84 3 0 1000.00 -999 ? >VAL~F 56 9.30 142.00 8.94 8.94 143.03 10.81 9.12 142.52 9.88 3 0 1000.00 -999 ? >MET?F 57 8.05 143.56 5.70 8.30 147.53 4.78 8.18 145.54 5.24 2 0 1000.00 -999 ? >ILE~F 58 10.58 140.24 3.30 11.76 139.93 2.60 11.17 140.08 2.95 3 0 1000.00 -999 ? >GLY~F 59 7.33 138.38 5.65 7.05 139.02 5.17 7.19 138.70 5.41 1 0 1000.00 -999 ? >GLU~F 60 3.99 141.67 7.05 2.73 140.35 8.14 3.36 141.01 7.60 2 0 1000.00 -999 ? >LEU~F 61 6.00 141.60 0.83 6.42 142.34 -1.14 6.21 141.97 -0.15 3 0 1000.00 -999 ? >LEU~F 62 5.80 136.27 1.55 7.75 135.68 0.83 6.78 135.97 1.19 3 0 1000.00 -999 ? >HIS~F 63 0.49 137.51 3.71 0.25 139.41 4.56 0.37 138.46 4.14 3 0 1000.00 -999 ? >GLU.F 64 0.62 141.20 0.22 -1.39 141.83 0.11 -0.39 141.51 0.17 2 0 1000.00 -999 ? >PHE.F 65 2.65 138.10 -4.58 3.09 140.78 -5.18 2.87 139.44 -4.88 3 0 1000.00 -999 ? >PRO.F 66 -2.07 134.48 -1.39 -0.33 133.76 -2.59 -1.20 134.12 -1.99 3 0 1000.00 -999 ? >ASP.F 67 -0.27 132.85 -7.24 -1.45 134.56 -6.88 -0.86 133.70 -7.06 2 0 1000.00 -999 ? >TYR.F 68 4.27 132.78 -6.54 3.89 134.38 -8.81 4.08 133.58 -7.68 3 0 1000.00 -999 ? >THR.F 69 4.93 128.31 -2.87 5.90 126.45 -3.40 5.42 127.38 -3.14 2 0 1000.00 -999 ? >TRP.F 70 5.01 133.60 -1.74 7.61 134.79 -4.44 6.31 134.20 -3.09 3 0 1000.00 -999 ? >GLN^F 71 10.79 127.17 1.01 11.84 125.48 0.23 11.31 126.32 0.62 2 0 1000.00 -999 ? >VAL^F 72 12.57 132.07 2.59 11.77 133.79 3.66 12.17 132.93 3.12 3 0 1000.00 -999 ? >ALA^F 73 16.35 131.93 2.81 17.09 131.38 1.57 16.72 131.65 2.19 2 0 1000.00 -999 ? >ILE^F 74 18.26 134.43 6.26 17.53 134.20 7.43 17.89 134.32 6.84 3 0 1000.00 -999 ? >ALA^F 75 22.34 134.88 4.43 22.82 135.28 3.05 22.58 135.08 3.74 2 0 1000.00 -999 ? >ASP~F 76 25.57 135.32 8.03 27.23 134.47 6.97 26.40 134.89 7.50 2 0 1000.00 -999 ? >LEU~F 77 27.62 139.95 7.63 26.68 141.38 8.92 27.15 140.66 8.28 3 0 1000.00 -999 ? >GLU~F 78 31.47 136.74 6.54 30.29 137.36 8.25 30.88 137.05 7.39 2 0 1000.00 -999 ? >GLN~F 79 27.43 132.82 3.55 28.99 132.43 2.15 28.21 132.63 2.85 2 0 1000.00 -999 ? >SER~F 80 25.16 138.14 1.77 23.60 138.52 3.55 24.38 138.33 2.66 2 0 1000.00 -999 ? >GLU~F 81 29.30 141.17 2.02 31.16 141.70 2.91 30.23 141.43 2.47 2 0 1000.00 -999 ? >ALA~F 82 29.02 136.60 -1.68 29.33 135.25 -1.05 29.18 135.93 -1.36 2 0 1000.00 -999 ? >ILE~F 83 24.32 135.57 -2.16 23.27 134.70 -1.80 23.79 135.14 -1.98 3 0 1000.00 -999 ? >GLY~F 84 25.06 139.68 -3.72 25.65 139.15 -4.00 25.35 139.41 -3.86 1 0 1000.00 -999 ? >ASP~F 85 29.66 139.53 -5.26 30.41 140.95 -3.90 30.03 140.24 -4.58 2 0 1000.00 -999 ? >ARG~F 86 26.01 133.26 -7.61 24.45 130.64 -7.89 25.23 131.95 -7.75 2 0 1000.00 -999 ? >PHE~F 87 22.17 136.92 -7.73 21.51 134.18 -7.76 21.84 135.55 -7.74 3 0 1000.00 -999 ? >GLY~F 88 24.93 142.30 -8.89 24.51 142.02 -8.25 24.72 142.16 -8.57 1 0 1000.00 -999 ? >ALA.F 89 23.12 143.38 -5.74 22.26 142.49 -4.88 22.69 142.93 -5.31 2 0 1000.00 -999 ? >PHE.F 90 27.06 145.91 -6.05 28.64 144.02 -7.38 27.85 144.96 -6.72 3 0 1000.00 -999 ? >ARG.F 91 20.55 150.79 -2.43 18.04 152.12 -3.63 19.30 151.45 -3.03 2 0 1000.00 -999 ? >PHE.F 92 23.20 144.45 0.95 24.38 142.28 -0.38 23.79 143.36 0.29 3 0 1000.00 -999 ? >PRO.F 93 18.42 146.53 4.33 19.43 146.11 2.40 18.92 146.32 3.36 3 0 1000.00 -999 ? >ALA^F 94 18.33 143.44 -0.73 19.50 143.30 -1.67 18.92 143.37 -1.20 2 0 1000.00 -999 ? >THR^F 95 15.96 140.60 -1.50 14.14 140.47 -0.38 15.05 140.54 -0.94 2 0 1000.00 -999 ? >LEU^F 96 17.66 137.27 -4.51 19.67 137.92 -4.92 18.66 137.59 -4.71 3 0 1000.00 -999 ? >VAL^F 97 13.25 136.91 -5.88 11.39 138.04 -5.82 12.32 137.48 -5.85 3 0 1000.00 -999 ? >PHE^F 98 15.25 132.89 -6.98 17.91 133.72 -6.78 16.58 133.30 -6.88 3 0 1000.00 -999 ? >THR^F 99 9.78 132.19 -9.30 8.03 133.34 -9.76 8.91 132.76 -9.53 2 0 1000.00 -999 ? >GLY.F 100 9.53 128.76 -10.86 10.18 129.18 -10.58 9.86 128.97 -10.72 1 0 1000.00 -999 ? >GLY.F 101 13.25 128.23 -10.34 12.90 128.89 -10.66 13.08 128.56 -10.50 1 0 1000.00 -999 ? >ASN^F 102 13.00 131.77 -13.43 13.00 130.14 -14.80 13.00 130.95 -14.11 2 0 1000.00 -999 ? >TYR^F 103 17.48 136.23 -10.49 18.21 138.74 -9.51 17.84 137.49 -10.00 3 0 1000.00 -999 ? >ARG^F 104 10.77 135.87 -12.47 9.69 133.78 -14.42 10.23 134.82 -13.44 2 0 1000.00 -999 ? >GLY^F 105 15.06 140.34 -9.85 14.93 139.78 -9.25 14.99 140.06 -9.55 1 0 1000.00 -999 ? >VAL^F 106 15.98 142.05 -6.61 17.92 142.98 -6.22 16.95 142.51 -6.42 3 0 1000.00 -999 ? >LEU^F 107 12.93 143.78 -3.34 11.01 143.10 -3.99 11.97 143.44 -3.66 3 0 1000.00 -999 ? >ASN^F 108 17.77 147.11 -3.80 17.37 148.16 -5.60 17.57 147.63 -4.70 2 0 1000.00 -999 ? >GLY.F 109 16.06 150.04 -0.96 15.70 149.31 -0.73 15.88 149.68 -0.84 1 0 1000.00 -999 ? >ILE.F 110 13.52 151.48 2.70 13.37 152.45 3.80 13.44 151.96 3.25 3 0 1000.00 -999 ? >HIS.F 111 10.67 151.18 -2.22 12.42 150.49 -3.15 11.55 150.84 -2.68 3 0 1000.00 -999 ? >PRO~F 112 6.32 154.63 0.54 6.83 152.53 1.08 6.58 153.58 0.81 3 0 1000.00 -999 ? >TRP~F 113 3.83 146.47 3.73 1.29 144.96 1.14 2.56 145.72 2.43 3 0 1000.00 -999 ? >ALA~F 114 2.09 150.11 -1.21 1.18 151.33 -1.29 1.64 150.72 -1.25 2 0 1000.00 -999 ? >GLU~F 115 6.31 153.12 -3.89 7.88 152.73 -5.26 7.10 152.92 -4.58 2 0 1000.00 -999 ? >LEU~F 116 6.77 146.97 -0.88 8.14 145.43 -0.32 7.46 146.20 -0.60 3 0 1000.00 -999 ? >ILE~F 117 2.24 145.28 -2.86 0.83 145.40 -3.05 1.53 145.34 -2.96 3 0 1000.00 -999 ? >ASN~F 118 3.18 148.24 -7.15 4.69 149.63 -6.71 3.94 148.94 -6.93 2 0 1000.00 -999 ? >LEU~F 119 8.41 146.98 -6.17 9.72 148.67 -6.48 9.06 147.83 -6.33 3 0 1000.00 -999 ? >MET?F 120 6.99 142.73 -6.51 8.23 139.90 -5.02 7.61 141.31 -5.77 2 0 1000.00 -999 ? >ARG~F 121 0.60 142.49 -8.99 -0.77 144.24 -6.85 -0.09 143.37 -7.92 2 0 1000.00 -999 ? >GLY~F 122 6.72 143.82 -11.60 6.88 143.19 -11.08 6.80 143.50 -11.34 1 0 1000.00 -999 ? >LEU~F 123 9.76 140.88 -9.46 11.55 141.97 -9.00 10.65 141.43 -9.23 3 0 1000.00 -999 ? >VAL~F 124 6.63 137.95 -10.52 6.07 137.89 -8.43 6.35 137.92 -9.48 3 0 1000.00 -999 ? >GLU~F 125 1.81 140.11 -13.36 0.95 138.33 -14.15 1.38 139.22 -13.75 2 0 1000.00 -999 ? >THR~G 5 -9.90 102.85 43.34 -9.99 104.00 41.47 -9.94 103.42 42.40 2 0 1000.00 -999 ? >PRO~G 6 -7.40 99.65 41.88 -7.28 101.11 43.55 -7.34 100.38 42.71 3 0 1000.00 -999 ? >PHE~G 7 -3.73 103.93 39.12 -1.67 105.34 37.85 -2.70 104.63 38.48 3 0 1000.00 -999 ? >ASP~G 8 -6.93 106.65 43.52 -8.21 107.04 41.87 -7.57 106.84 42.69 2 0 1000.00 -999 ? >ALA~G 9 -3.95 104.67 46.17 -4.34 103.33 46.78 -4.14 104.00 46.47 2 0 1000.00 -999 ? >LEU~G 10 -0.71 102.85 43.08 1.04 101.84 42.38 0.16 102.34 42.73 3 0 1000.00 -999 ? >TRP~G 11 -1.91 110.40 41.62 0.19 110.12 38.31 -0.86 110.26 39.96 3 0 1000.00 -999 ? >GLN~G 12 -3.31 109.65 46.67 -2.86 111.70 46.31 -3.09 110.67 46.49 2 0 1000.00 -999 ? >ARG~G 13 0.22 102.85 47.68 2.98 101.50 47.44 1.60 102.18 47.56 2 0 1000.00 -999 ? >MET?G 14 4.06 107.74 44.60 3.73 105.45 41.03 3.89 106.59 42.82 2 0 1000.00 -999 ? >LEU~G 15 1.71 111.97 44.94 0.71 112.89 43.25 1.21 112.43 44.09 3 0 1000.00 -999 ? >ALA~G 16 4.10 111.04 48.60 3.57 110.00 49.56 3.84 110.52 49.08 2 0 1000.00 -999 ? >ARG~G 17 8.98 106.51 47.03 7.31 103.91 47.07 8.14 105.21 47.05 2 0 1000.00 -999 ? >GLY.G 18 7.77 113.42 45.82 7.64 112.77 45.38 7.71 113.10 45.60 1 0 1000.00 -999 ? >TRP.G 19 9.68 109.96 43.26 8.66 106.17 43.17 9.17 108.06 43.21 3 0 1000.00 -999 ? >THR^G 20 6.45 114.32 39.61 8.15 115.62 39.32 7.30 114.97 39.47 2 0 1000.00 -999 ? >PRO^G 21 2.21 114.36 39.33 3.86 113.85 37.92 3.04 114.11 38.63 3 0 1000.00 -999 ? >VAL.G 22 4.05 113.82 33.68 5.72 112.81 32.68 4.88 113.31 33.18 3 0 1000.00 -999 ? >SER~G 23 1.99 113.72 30.48 1.38 116.00 29.83 1.68 114.86 30.16 2 0 1000.00 -999 ? >GLU~G 24 3.37 111.43 24.84 3.76 113.00 23.44 3.56 112.22 24.14 2 0 1000.00 -999 ? >SER~G 25 2.88 116.25 25.78 1.16 117.33 27.10 2.02 116.79 26.44 2 0 1000.00 -999 ? >ARG~G 26 3.73 120.31 30.28 6.11 122.15 30.84 4.92 121.23 30.56 2 0 1000.00 -999 ? >LEU~G 27 7.46 113.25 28.08 8.50 111.50 28.79 7.98 112.37 28.44 3 0 1000.00 -999 ? >ASP~G 28 10.15 116.72 25.05 10.02 115.09 23.75 10.09 115.91 24.40 2 0 1000.00 -999 ? >ASP~G 29 9.02 120.34 28.81 8.49 121.45 27.11 8.76 120.89 27.96 2 0 1000.00 -999 ? >TRP~G 30 9.89 116.35 34.80 11.65 112.84 34.67 10.77 114.60 34.74 3 0 1000.00 -999 ? >LEU~G 31 13.16 114.55 28.91 12.58 112.47 29.02 12.87 113.51 28.97 3 0 1000.00 -999 ? >THR~G 32 15.41 118.45 29.27 14.29 119.79 27.97 14.85 119.12 28.62 2 0 1000.00 -999 ? >GLN~G 33 13.00 119.76 33.84 13.14 118.71 35.69 13.07 119.23 34.77 2 0 1000.00 -999 ? >ALA.G 34 16.18 116.00 34.08 14.91 115.34 34.55 15.54 115.67 34.31 2 0 1000.00 -999 ? >PRO.G 35 20.41 115.86 33.51 18.66 114.94 32.51 19.53 115.40 33.01 3 0 1000.00 -999 ? >ASP.G 36 20.37 111.43 35.49 22.25 111.79 34.59 21.31 111.61 35.04 2 0 1000.00 -999 ? >GLY^G 37 15.70 110.38 35.15 16.05 109.83 34.68 15.87 110.10 34.91 1 0 1000.00 -999 ? >VAL^G 38 13.19 107.59 35.14 13.75 105.81 36.19 13.47 106.70 35.67 3 0 1000.00 -999 ? >VAL^G 39 9.58 107.47 33.95 8.90 108.68 32.30 9.24 108.08 33.13 3 0 1000.00 -999 ? >LEU^G 40 6.97 104.87 37.04 8.72 105.00 38.32 7.84 104.94 37.68 3 0 1000.00 -999 ? >LEU^G 41 4.98 102.98 31.86 5.79 104.31 30.39 5.39 103.65 31.12 3 0 1000.00 -999 ? >SER.G 42 1.73 101.68 35.01 2.34 102.35 37.30 2.04 102.02 36.15 2 0 1000.00 -999 ? >SER.G 43 -1.30 99.49 34.27 -0.49 98.06 32.51 -0.89 98.77 33.39 2 0 1000.00 -999 ? >ASP.G 44 -5.87 98.69 35.68 -7.41 99.53 36.87 -6.64 99.11 36.27 2 0 1000.00 -999 ? >PRO.G 45 -3.00 99.54 40.23 -3.66 97.80 39.03 -3.33 98.67 39.63 3 0 1000.00 -999 ? >LYS.G 46 -6.69 95.36 39.46 -11.30 98.54 37.91 -9.00 96.95 38.69 2 0 1000.00 -999 ? >ARG.G 47 -6.70 92.45 33.36 -7.63 94.53 31.27 -7.17 93.49 32.32 2 0 1000.00 -999 ? >THR.G 48 -2.26 92.92 37.53 -0.63 93.75 36.33 -1.45 93.34 36.93 2 0 1000.00 -999 ? >PRO.G 49 -2.21 91.15 41.50 -1.82 93.17 40.64 -2.02 92.16 41.07 3 0 1000.00 -999 ? >GLU.G 50 2.21 91.10 39.39 2.68 90.08 41.20 2.44 90.59 40.30 2 0 1000.00 -999 ? >VAL.G 51 2.09 97.08 39.39 0.96 98.04 37.79 1.52 97.56 38.59 3 0 1000.00 -999 ? >SER~G 52 1.98 97.94 43.12 -0.38 97.59 43.60 0.80 97.76 43.36 2 0 1000.00 -999 ? >ASP~G 53 5.62 94.93 43.86 4.32 93.86 45.11 4.97 94.40 44.48 2 0 1000.00 -999 ? >ASN~G 54 6.58 98.18 39.59 7.99 98.55 38.04 7.28 98.36 38.82 2 0 1000.00 -999 ? >PRO~G 55 5.01 101.52 41.99 7.09 100.79 42.20 6.05 101.15 42.10 3 0 1000.00 -999 ? >VAL~G 56 8.89 100.43 45.78 7.90 99.48 47.46 8.40 99.96 46.62 3 0 1000.00 -999 ? >MET?G 57 11.65 98.55 43.96 11.50 94.55 42.97 11.58 96.55 43.46 2 0 1000.00 -999 ? >ILE~G 58 11.58 101.99 40.59 11.12 102.39 39.32 11.35 102.19 39.95 3 0 1000.00 -999 ? >GLY~G 59 12.92 103.60 44.49 13.35 102.91 44.26 13.13 103.26 44.38 1 0 1000.00 -999 ? >GLU~G 60 14.24 100.05 47.57 14.72 101.26 49.24 14.48 100.66 48.41 2 0 1000.00 -999 ? >LEU~G 61 16.49 99.96 41.43 17.28 99.15 39.61 16.88 99.56 40.52 3 0 1000.00 -999 ? >LEU~G 62 16.89 105.27 42.23 15.89 106.03 40.48 16.39 105.65 41.35 3 0 1000.00 -999 ? >HIS~G 63 19.56 103.58 47.18 18.98 101.72 47.97 19.27 102.65 47.57 3 0 1000.00 -999 ? >GLU.G 64 21.12 99.72 44.26 22.68 98.84 45.38 21.90 99.28 44.82 2 0 1000.00 -999 ? >PHE.G 65 22.85 102.74 39.29 22.55 100.07 38.49 22.70 101.41 38.89 3 0 1000.00 -999 ? >PRO.G 66 25.05 105.97 44.78 24.52 106.81 42.80 24.79 106.39 43.79 3 0 1000.00 -999 ? >ASP.G 67 27.43 107.44 39.10 27.90 105.63 40.08 27.66 106.54 39.59 2 0 1000.00 -999 ? >TYR.G 68 23.47 108.07 36.87 24.95 106.30 35.27 24.21 107.18 36.07 3 0 1000.00 -999 ? >THR.G 69 21.29 112.81 39.48 21.10 114.73 38.49 21.20 113.77 38.98 2 0 1000.00 -999 ? >TRP.G 70 19.84 107.62 40.19 19.33 106.59 36.43 19.59 107.10 38.31 3 0 1000.00 -999 ? >GLN^G 71 14.49 114.83 38.95 14.36 116.56 37.72 14.43 115.70 38.33 2 0 1000.00 -999 ? >VAL^G 72 11.50 110.24 38.98 11.27 108.53 40.30 11.38 109.38 39.64 3 0 1000.00 -999 ? >ALA^G 73 8.43 110.86 36.83 8.67 111.38 35.43 8.55 111.12 36.13 2 0 1000.00 -999 ? >ILE^G 74 4.54 108.81 38.35 4.43 109.04 39.72 4.48 108.92 39.03 3 0 1000.00 -999 ? >ALA^G 75 2.39 108.71 34.38 2.80 108.28 32.97 2.59 108.50 33.68 2 0 1000.00 -999 ? >ASP~G 76 -2.38 108.89 35.21 -2.91 109.83 33.38 -2.64 109.36 34.29 2 0 1000.00 -999 ? >LEU~G 77 -4.36 104.48 33.53 -4.57 103.03 35.11 -4.46 103.75 34.32 3 0 1000.00 -999 ? >GLU~G 78 -6.26 108.01 30.39 -6.45 107.37 32.42 -6.36 107.69 31.40 2 0 1000.00 -999 ? >GLN~G 79 -0.78 111.27 30.61 -1.10 111.76 28.54 -0.94 111.51 29.57 2 0 1000.00 -999 ? >SER~G 80 1.38 105.62 30.47 1.44 105.15 32.82 1.41 105.39 31.64 2 0 1000.00 -999 ? >GLU~G 81 -2.35 103.10 28.03 -4.41 102.83 27.59 -3.38 102.96 27.81 2 0 1000.00 -999 ? >ALA~G 82 0.70 107.38 25.42 0.26 108.80 25.78 0.48 108.09 25.60 2 0 1000.00 -999 ? >ILE~G 83 4.79 107.81 27.95 5.50 108.59 28.91 5.15 108.20 28.43 3 0 1000.00 -999 ? >GLY~G 84 4.61 103.73 26.18 4.40 104.30 25.61 4.50 104.02 25.89 1 0 1000.00 -999 ? >ASP~G 85 2.01 104.33 22.14 0.38 103.09 22.70 1.19 103.71 22.42 2 0 1000.00 -999 ? >ARG~G 86 7.10 109.98 22.65 8.82 112.38 23.47 7.96 111.18 23.06 2 0 1000.00 -999 ? >PHE~G 87 9.71 105.93 24.82 10.58 108.55 25.26 10.15 107.24 25.04 3 0 1000.00 -999 ? >GLY~G 88 7.54 100.83 22.11 7.52 101.10 22.88 7.53 100.97 22.50 1 0 1000.00 -999 ? >ALA.G 89 6.93 99.72 25.68 7.19 100.56 26.92 7.06 100.14 26.30 2 0 1000.00 -999 ? >PHE.G 90 3.71 97.61 22.96 3.53 99.57 20.97 3.62 98.59 21.97 3 0 1000.00 -999 ? >ARG.G 91 5.95 92.34 29.77 8.48 90.63 30.30 7.22 91.48 30.04 2 0 1000.00 -999 ? >PHE.G 92 2.61 99.08 30.88 2.79 101.30 29.19 2.70 100.19 30.04 3 0 1000.00 -999 ? >PRO.G 93 4.01 96.67 36.45 4.45 97.13 34.31 4.23 96.90 35.38 3 0 1000.00 -999 ? >ALA^G 94 7.60 99.43 32.61 7.29 99.65 31.14 7.44 99.54 31.88 2 0 1000.00 -999 ? >THR^G 95 10.27 101.93 33.51 11.02 101.92 35.51 10.65 101.92 34.51 2 0 1000.00 -999 ? >LEU^G 96 11.19 105.24 30.17 9.79 104.79 28.60 10.49 105.02 29.39 3 0 1000.00 -999 ? >VAL^G 97 15.53 105.02 31.77 16.81 103.69 32.92 16.17 104.36 32.35 3 0 1000.00 -999 ? >PHE^G 98 15.13 109.20 29.79 12.85 108.66 28.29 13.99 108.93 29.04 3 0 1000.00 -999 ? >THR^G 99 20.93 109.13 31.34 22.44 107.76 32.05 21.68 108.44 31.69 2 0 1000.00 -999 ? >GLY.G 100 22.53 112.39 30.31 21.78 112.06 30.13 22.16 112.22 30.22 1 0 1000.00 -999 ? >GLY.G 101 19.35 113.37 28.46 19.73 112.65 28.41 19.54 113.01 28.43 1 0 1000.00 -999 ? >ASN^G 102 21.00 109.65 26.13 22.03 111.17 25.07 21.52 110.41 25.60 2 0 1000.00 -999 ? >TYR^G 103 15.15 105.89 25.58 13.65 103.54 25.83 14.40 104.71 25.70 3 0 1000.00 -999 ? >ARG^G 104 21.64 105.38 28.13 23.93 107.22 27.31 22.78 106.30 27.72 2 0 1000.00 -999 ? >GLY^G 105 16.11 101.60 27.46 15.91 102.16 28.02 16.01 101.88 27.74 1 0 1000.00 -999 ? >VAL^G 106 13.21 100.18 29.42 11.34 99.48 28.53 12.27 99.83 28.97 3 0 1000.00 -999 ? >LEU^G 107 13.37 98.31 33.84 15.36 98.75 34.53 14.37 98.53 34.19 3 0 1000.00 -999 ? >ASN^G 108 9.43 95.53 30.44 10.71 94.36 29.24 10.07 94.95 29.84 2 0 1000.00 -999 ? >GLY.G 109 8.69 92.62 33.66 8.91 93.31 34.07 8.80 92.96 33.86 1 0 1000.00 -999 ? >ILE.G 110 8.24 91.11 38.06 7.56 90.21 39.01 7.90 90.66 38.53 3 0 1000.00 -999 ? >HIS.G 111 13.51 90.79 35.94 12.80 91.62 34.15 13.16 91.21 35.04 3 0 1000.00 -999 ? >PRO~G 112 14.80 87.07 40.71 14.32 89.23 40.87 14.56 88.15 40.79 3 0 1000.00 -999 ? >TRP~G 113 15.78 95.06 44.93 19.55 96.13 44.47 17.67 95.59 44.70 3 0 1000.00 -999 ? >ALA~G 114 19.72 90.94 42.03 20.32 89.62 42.50 20.02 90.28 42.27 2 0 1000.00 -999 ? >GLU~G 115 17.66 88.28 37.26 17.33 88.77 35.23 17.50 88.52 36.25 2 0 1000.00 -999 ? >LEU~G 116 16.26 94.61 39.49 15.02 96.33 39.12 15.64 95.47 39.30 3 0 1000.00 -999 ? >ILE~G 117 21.23 95.66 40.74 22.43 95.37 41.46 21.83 95.52 41.10 3 0 1000.00 -999 ? >ASN~G 118 22.74 92.58 36.72 21.10 91.38 36.11 21.92 91.98 36.41 2 0 1000.00 -999 ? >LEU~G 119 18.23 94.47 34.31 17.19 92.92 33.23 17.71 93.69 33.77 3 0 1000.00 -999 ? >MET?G 120 20.08 98.51 35.00 18.61 101.62 35.40 19.34 100.06 35.20 2 0 1000.00 -999 ? >ARG~G 121 26.63 97.87 36.99 26.16 96.10 39.46 26.39 96.98 38.22 2 0 1000.00 -999 ? >GLY~G 122 23.28 97.11 31.13 22.91 97.78 31.45 23.09 97.44 31.29 1 0 1000.00 -999 ? >LEU.G 123 19.95 100.48 31.02 18.13 99.64 30.25 19.04 100.06 30.64 3 0 1000.00 -999 ? >VAL.G 124 23.40 102.96 32.17 22.59 103.08 34.16 22.99 103.02 33.17 3 0 1000.00 -999 ? >GLU.G 125 28.87 101.96 31.92 28.84 103.81 30.87 28.86 102.88 31.39 2 0 1000.00 -999 ? >THR~H 5 14.88 79.28 36.02 13.26 80.63 36.62 14.07 79.95 36.32 2 0 1000.00 -999 ? >PRO~H 6 12.44 76.29 33.81 14.19 77.61 33.40 13.32 76.95 33.61 3 0 1000.00 -999 ? >PHE~H 7 9.31 80.66 30.92 7.40 81.64 29.14 8.36 81.15 30.03 3 0 1000.00 -999 ? >ASP~H 8 14.96 82.89 32.97 13.82 83.01 34.78 14.39 82.95 33.87 2 0 1000.00 -999 ? >ALA~H 9 16.47 80.77 29.31 16.94 79.31 29.47 16.70 80.04 29.39 2 0 1000.00 -999 ? >LEU~H 10 12.29 79.73 27.08 10.94 79.14 25.49 11.61 79.44 26.29 3 0 1000.00 -999 ? >TRP~H 11 11.98 87.25 29.37 8.31 87.39 27.95 10.14 87.32 28.66 3 0 1000.00 -999 ? >GLN~H 12 17.23 85.61 29.14 16.87 87.71 29.02 17.05 86.66 29.08 2 0 1000.00 -999 ? >ARG~H 13 17.62 79.94 23.35 15.81 77.93 24.88 16.71 78.93 24.11 2 0 1000.00 -999 ? >MET?H 14 13.00 84.78 22.43 9.46 82.72 23.75 11.23 83.75 23.09 2 0 1000.00 -999 ? >LEU~H 15 14.59 88.73 24.75 13.48 89.93 26.13 14.03 89.33 25.44 3 0 1000.00 -999 ? >ALA~H 16 17.29 87.63 21.38 18.21 86.46 21.63 17.75 87.04 21.50 2 0 1000.00 -999 ? >ARG~H 17 13.79 83.35 17.37 13.31 81.17 19.53 13.55 82.26 18.45 2 0 1000.00 -999 ? >GLY~H 18 13.76 90.35 18.62 13.32 89.74 18.91 13.54 90.04 18.77 1 0 1000.00 -999 ? >TRP.H 19 10.69 87.32 17.62 9.98 83.52 18.29 10.33 85.42 17.96 3 0 1000.00 -999 ? >THR^H 20 8.57 91.96 21.89 7.86 93.36 20.40 8.22 92.66 21.14 2 0 1000.00 -999 ? >PRO^H 21 9.40 92.02 26.06 7.59 91.45 24.85 8.49 91.74 25.45 3 0 1000.00 -999 ? >VAL.H 22 3.53 92.02 25.73 1.97 91.27 24.37 2.75 91.64 25.05 3 0 1000.00 -999 ? >SER~H 23 1.27 92.37 28.79 1.91 94.68 29.32 1.59 93.52 29.05 2 0 1000.00 -999 ? >GLU~H 24 -4.65 90.50 29.04 -6.05 92.04 29.32 -5.35 91.27 29.18 2 0 1000.00 -999 ? >SER~H 25 -3.35 95.22 29.37 -3.30 97.19 30.78 -3.32 96.20 30.08 2 0 1000.00 -999 ? >ARG~H 26 1.14 98.68 27.63 1.29 100.71 25.31 1.22 99.69 26.47 2 0 1000.00 -999 ? >LEU~H 27 -2.67 92.45 23.93 -2.56 90.63 22.81 -2.62 91.54 23.37 3 0 1000.00 -999 ? >ASP~H 28 -5.87 96.49 22.38 -6.90 95.11 23.58 -6.38 95.80 22.98 2 0 1000.00 -999 ? >ASP~H 29 -1.63 99.54 22.29 -2.91 100.99 23.22 -2.27 100.27 22.76 2 0 1000.00 -999 ? >TRP~H 30 3.43 94.97 19.91 2.47 91.53 18.32 2.95 93.25 19.11 3 0 1000.00 -999 ? >LEU~H 31 -3.42 94.01 18.47 -3.43 91.91 18.92 -3.43 92.96 18.70 3 0 1000.00 -999 ? >THR~H 32 -2.96 97.90 16.33 -3.91 99.77 16.92 -3.43 98.84 16.63 2 0 1000.00 -999 ? >GLN~H 33 2.20 98.61 17.08 3.62 97.03 16.90 2.91 97.82 16.99 2 0 1000.00 -999 ? >ALA~H 34 0.92 94.69 14.25 1.38 93.76 15.36 1.15 94.23 14.81 2 0 1000.00 -999 ? >PRO.H 35 -0.25 95.39 10.12 -1.10 94.35 11.92 -0.67 94.87 11.02 3 0 1000.00 -999 ? >ASP.H 36 0.96 90.71 9.53 -0.38 90.64 7.93 0.29 90.68 8.73 2 0 1000.00 -999 ? >GLY^H 37 1.49 89.07 13.97 0.79 88.74 13.84 1.14 88.91 13.91 1 0 1000.00 -999 ? >VAL^H 38 1.38 86.20 16.47 2.42 84.67 15.29 1.90 85.44 15.88 3 0 1000.00 -999 ? >VAL^H 39 1.31 86.22 20.24 0.17 87.62 21.45 0.74 86.92 20.84 3 0 1000.00 -999 ? >LEU^H 40 4.44 83.05 21.82 5.23 83.20 19.83 4.83 83.13 20.83 3 0 1000.00 -999 ? >LEU^H 41 -0.45 81.83 24.95 -1.71 83.57 25.05 -1.08 82.70 25.00 3 0 1000.00 -999 ? >SER.H 42 3.35 79.87 27.04 5.47 79.57 25.89 4.41 79.72 26.46 2 0 1000.00 -999 ? >SER.H 43 2.97 77.68 30.12 1.39 76.21 31.17 2.18 76.95 30.65 2 0 1000.00 -999 ? >ASP.H 44 5.21 76.60 34.31 6.94 76.17 35.46 6.07 76.38 34.89 2 0 1000.00 -999 ? >PRO.H 45 8.93 76.60 30.15 7.69 75.13 31.29 8.31 75.86 30.72 3 0 1000.00 -999 ? >LYS.H 46 8.32 72.46 34.17 8.05 75.20 39.27 8.19 73.83 36.72 2 0 1000.00 -999 ? >ARG.H 47 2.15 69.88 34.32 1.60 72.49 35.85 1.87 71.18 35.08 2 0 1000.00 -999 ? >THR.H 48 6.12 69.03 30.32 4.67 68.91 28.70 5.39 68.97 29.51 2 0 1000.00 -999 ? >PRO.H 49 9.86 67.39 28.95 8.89 69.39 28.81 9.37 68.39 28.88 3 0 1000.00 -999 ? >GLU.H 50 6.04 68.41 24.75 6.56 67.97 22.76 6.30 68.19 23.76 2 0 1000.00 -999 ? >VAL.H 51 6.90 74.24 25.62 5.65 75.40 27.05 6.28 74.82 26.34 3 0 1000.00 -999 ? >SER.H 52 10.71 74.42 25.28 11.34 72.09 25.62 11.02 73.26 25.45 2 0 1000.00 -999 ? >ASP~H 53 10.77 72.23 21.20 9.95 70.86 22.63 10.36 71.55 21.92 2 0 1000.00 -999 ? >ASN~H 54 6.09 75.56 21.84 4.23 76.16 20.99 5.16 75.86 21.42 2 0 1000.00 -999 ? >PRO~H 55 8.66 78.87 22.60 8.41 78.18 20.52 8.54 78.53 21.56 3 0 1000.00 -999 ? >VAL~H 56 11.33 77.82 17.79 13.26 76.94 17.95 12.30 77.38 17.87 3 0 1000.00 -999 ? >MET?H 57 8.72 75.98 15.75 7.10 72.00 16.15 7.91 73.99 15.95 2 0 1000.00 -999 ? >ILE~H 58 5.69 79.63 16.67 4.58 79.85 17.49 5.14 79.74 17.08 3 0 1000.00 -999 ? >GLY~H 59 9.29 81.11 14.42 8.98 80.41 14.08 9.13 80.76 14.25 1 0 1000.00 -999 ? >GLU~H 60 12.07 77.29 12.09 13.24 78.16 10.59 12.65 77.73 11.34 2 0 1000.00 -999 ? >LEU~H 61 5.33 77.85 11.68 3.24 77.53 11.28 4.28 77.69 11.48 3 0 1000.00 -999 ? >LEU~H 62 6.66 83.00 10.85 5.29 83.90 12.26 5.97 83.45 11.56 3 0 1000.00 -999 ? >HIS~H 63 10.31 79.94 6.98 10.83 77.91 6.99 10.57 78.93 6.99 3 0 1000.00 -999 ? >GLU.H 64 6.14 76.92 6.15 5.96 75.85 4.34 6.05 76.39 5.25 2 0 1000.00 -999 ? >PHE.H 65 2.15 81.18 5.75 1.03 78.69 6.36 1.59 79.93 6.05 3 0 1000.00 -999 ? >PRO.H 66 7.59 83.13 2.40 6.08 84.42 3.37 6.83 83.77 2.88 3 0 1000.00 -999 ? >ASP.H 67 2.42 86.78 1.38 1.30 85.51 2.65 1.86 86.14 2.02 2 0 1000.00 -999 ? >TYR.H 68 0.80 86.85 6.07 -1.19 85.25 4.93 -0.20 86.05 5.50 3 0 1000.00 -999 ? >THR.H 69 4.92 90.85 7.38 4.61 92.96 7.60 4.77 91.91 7.49 2 0 1000.00 -999 ? >TRP.H 70 4.60 85.82 8.82 0.95 85.54 10.23 2.77 85.68 9.53 3 0 1000.00 -999 ? >GLN^H 71 5.75 93.00 14.56 4.72 94.83 15.07 5.24 93.91 14.82 2 0 1000.00 -999 ? >VAL^H 72 6.01 88.27 17.08 7.21 86.44 17.00 6.61 87.36 17.04 3 0 1000.00 -999 ? >ALA^H 73 4.78 89.00 20.67 3.49 89.73 20.85 4.14 89.36 20.76 2 0 1000.00 -999 ? >ILE^H 74 7.09 86.51 23.93 8.51 86.53 23.51 7.80 86.52 23.72 3 0 1000.00 -999 ? >ALA^H 75 3.83 86.80 27.07 2.32 86.64 27.02 3.07 86.72 27.04 2 0 1000.00 -999 ? >ASP~H 76 6.19 86.35 31.28 4.96 87.69 32.38 5.57 87.02 31.83 2 0 1000.00 -999 ? >LEU~H 77 4.51 82.05 33.45 5.91 80.48 32.94 5.21 81.27 33.19 3 0 1000.00 -999 ? >GLU~H 78 2.92 86.35 36.19 4.26 84.66 36.16 3.59 85.50 36.18 2 0 1000.00 -999 ? >GLN~H 79 1.08 89.71 30.52 0.22 90.12 32.43 0.65 89.92 31.48 2 0 1000.00 -999 ? >SER~H 80 0.04 84.17 28.87 2.23 83.29 28.29 1.13 83.73 28.58 2 0 1000.00 -999 ? >GLU~H 81 -2.00 81.59 33.06 -2.48 80.93 35.01 -2.24 81.26 34.04 2 0 1000.00 -999 ? >ALA~H 82 -4.54 86.60 31.31 -3.92 87.92 31.73 -4.23 87.26 31.52 2 0 1000.00 -999 ? >ILE~H 83 -3.21 87.11 26.68 -2.39 87.78 25.70 -2.80 87.45 26.19 3 0 1000.00 -999 ? >GLY~H 84 -5.53 83.38 26.93 -5.86 83.93 27.46 -5.69 83.66 27.20 1 0 1000.00 -999 ? >ASP~H 85 -8.21 84.20 30.90 -7.81 82.69 32.29 -8.01 83.45 31.59 2 0 1000.00 -999 ? >ARG~H 86 -8.65 90.05 26.11 -7.62 92.19 24.18 -8.14 91.12 25.14 2 0 1000.00 -999 ? >PHE~H 87 -7.51 85.94 22.81 -6.95 88.44 21.70 -7.23 87.19 22.26 3 0 1000.00 -999 ? >GLY~H 88 -10.39 81.20 25.48 -9.63 81.32 25.32 -10.01 81.26 25.40 1 0 1000.00 -999 ? >ALA.H 89 -7.01 79.52 25.01 -5.75 80.25 24.63 -6.38 79.89 24.82 2 0 1000.00 -999 ? >PHE.H 90 -9.45 77.64 28.72 -10.89 79.74 29.88 -10.17 78.69 29.30 3 0 1000.00 -999 ? >ARG.H 91 -4.78 71.79 23.39 -3.95 69.60 21.39 -4.37 70.69 22.39 2 0 1000.00 -999 ? >PHE.H 92 -1.19 77.82 27.60 -2.52 80.24 28.09 -1.85 79.03 27.85 3 0 1000.00 -999 ? >PRO.H 93 3.15 74.58 24.34 1.09 75.41 24.66 2.12 75.00 24.50 3 0 1000.00 -999 ? >ALA^H 94 -1.02 78.32 22.25 -2.25 78.84 23.01 -1.63 78.58 22.63 2 0 1000.00 -999 ? >THR^H 95 -0.35 81.04 19.66 1.44 80.78 18.44 0.54 80.91 19.05 2 0 1000.00 -999 ? >LEU^H 96 -3.17 85.02 19.57 -4.43 84.66 21.27 -3.80 84.84 20.42 3 0 1000.00 -999 ? >VAL^H 97 -2.75 84.49 14.99 -2.35 82.85 13.57 -2.55 83.67 14.28 3 0 1000.00 -999 ? >PHE^H 98 -4.07 88.95 15.72 -5.12 88.66 18.30 -4.60 88.81 17.01 3 0 1000.00 -999 ? >THR^H 99 -3.78 88.99 9.87 -3.49 87.60 8.26 -3.63 88.29 9.06 2 0 1000.00 -999 ? >GLY.H 100 -4.62 92.26 8.21 -4.68 92.01 8.98 -4.65 92.14 8.60 1 0 1000.00 -999 ? >GLY.H 101 -5.66 93.46 11.63 -5.93 92.75 11.30 -5.79 93.11 11.46 1 0 1000.00 -999 ? >ASN^H 102 -8.91 90.16 10.77 -10.59 91.46 10.50 -9.75 90.81 10.64 2 0 1000.00 -999 ? >TYR^H 103 -8.75 86.47 16.65 -8.33 84.24 18.31 -8.54 85.35 17.48 3 0 1000.00 -999 ? >ARG^H 104 -7.45 85.85 10.14 -8.18 87.97 8.05 -7.82 86.91 9.09 2 0 1000.00 -999 ? >GLY^H 105 -7.55 81.66 15.35 -6.87 82.14 15.35 -7.21 81.90 15.35 1 0 1000.00 -999 ? >VAL^H 106 -5.23 80.02 17.81 -5.66 79.65 19.90 -5.45 79.83 18.85 3 0 1000.00 -999 ? >LEU.H 107 -1.47 77.22 16.66 -1.02 77.54 14.58 -1.25 77.38 15.62 3 0 1000.00 -999 ? >ASN.H 108 -4.63 74.89 21.23 -6.02 73.65 20.21 -5.32 74.27 20.72 2 0 1000.00 -999 ? >GLY.H 109 -1.12 72.03 21.31 -0.84 72.64 20.86 -0.98 72.33 21.08 1 0 1000.00 -999 ? >ILE.H 110 3.26 70.58 20.46 4.42 70.10 20.79 3.84 70.34 20.63 3 0 1000.00 -999 ? >HIS.H 111 -0.48 69.92 16.22 -1.75 71.32 17.12 -1.12 70.62 16.67 3 0 1000.00 -999 ? >PRO~H 112 3.21 65.37 14.10 3.64 67.54 14.23 3.43 66.46 14.16 3 0 1000.00 -999 ? >TRP~H 113 8.88 70.34 11.69 8.05 74.17 11.54 8.47 72.26 11.61 3 0 1000.00 -999 ? >ALA~H 114 2.79 68.76 8.49 2.71 67.39 7.85 2.75 68.07 8.17 2 0 1000.00 -999 ? >GLU~H 115 -1.18 66.66 12.19 -3.13 67.44 12.45 -2.15 67.05 12.32 2 0 1000.00 -999 ? >LEU~H 116 2.12 72.46 13.06 2.94 74.25 13.92 2.53 73.35 13.49 3 0 1000.00 -999 ? >ILE~H 117 2.84 73.36 7.94 3.35 73.01 6.65 3.09 73.18 7.29 3 0 1000.00 -999 ? >ASN~H 118 -1.99 71.35 6.94 -2.49 70.04 8.55 -2.24 70.70 7.74 2 0 1000.00 -999 ? >LEU~H 119 -2.96 73.75 11.96 -4.11 72.51 13.28 -3.53 73.13 12.62 3 0 1000.00 -999 ? >MET?H 120 -1.84 77.53 10.02 -0.61 80.52 11.29 -1.22 79.02 10.65 2 0 1000.00 -999 ? >ARG~H 121 -1.47 77.61 3.23 1.03 76.81 1.61 -0.22 77.21 2.42 2 0 1000.00 -999 ? >GLY~H 122 -6.40 77.01 7.64 -5.90 77.62 7.88 -6.15 77.31 7.76 1 0 1000.00 -999 ? >LEU~H 123 -5.36 80.13 11.14 -5.84 79.32 13.07 -5.60 79.73 12.10 3 0 1000.00 -999 ? >VAL~H 124 -4.65 82.35 7.23 -2.52 82.32 7.62 -3.59 82.33 7.43 3 0 1000.00 -999 ? >GLU.H 125 -6.57 80.39 2.07 -6.90 82.25 1.06 -6.74 81.32 1.56 2 0 1000.00 -999 ? >THR~I 5 12.74 75.51 81.57 14.65 74.66 80.91 13.69 75.09 81.24 2 0 1000.00 -999 ? >PRO~I 6 12.21 79.06 79.08 11.35 77.01 79.24 11.78 78.03 79.16 3 0 1000.00 -999 ? >PHE~I 7 14.92 74.58 74.82 15.76 72.87 72.81 15.34 73.72 73.81 3 0 1000.00 -999 ? >ASP~I 8 12.17 71.53 78.45 14.16 71.71 79.21 13.17 71.62 78.83 2 0 1000.00 -999 ? >ALA~I 9 8.44 73.40 76.75 7.81 74.57 77.48 8.13 73.99 77.11 2 0 1000.00 -999 ? >LEU~I 10 10.12 75.55 72.72 10.57 76.19 70.72 10.34 75.87 71.72 3 0 1000.00 -999 ? >TRP~I 11 11.92 67.99 73.37 14.38 67.98 70.31 13.15 67.99 71.84 3 0 1000.00 -999 ? >GLN~I 12 7.96 68.71 76.36 8.88 66.85 75.86 8.42 67.78 76.11 2 0 1000.00 -999 ? >ARG~I 13 4.66 75.10 72.64 3.45 75.31 69.84 4.05 75.20 71.24 2 0 1000.00 -999 ? >MET?I 14 7.12 70.19 68.75 10.35 72.81 67.54 8.74 71.50 68.15 2 0 1000.00 -999 ? >LEU~I 15 7.68 66.02 71.18 9.69 65.30 71.47 8.68 65.66 71.32 3 0 1000.00 -999 ? >ALA~I 16 3.41 66.85 70.45 2.71 67.76 71.45 3.06 67.31 70.95 2 0 1000.00 -999 ? >ARG.I 17 3.84 71.49 65.65 1.97 73.70 66.67 2.90 72.59 66.16 2 0 1000.00 -999 ? >GLY.I 18 4.68 64.42 65.74 5.19 65.07 65.82 4.94 64.74 65.78 1 0 1000.00 -999 ? >TRP.I 19 6.29 67.87 63.03 6.64 71.70 63.76 6.47 69.78 63.39 3 0 1000.00 -999 ? >THR^I 20 11.06 63.93 64.91 10.84 62.43 63.33 10.95 63.18 64.12 2 0 1000.00 -999 ? >PRO^I 21 12.85 63.97 68.75 13.52 64.55 66.69 13.18 64.26 67.72 3 0 1000.00 -999 ? >VAL.I 22 17.48 64.71 65.00 17.87 65.78 63.12 17.67 65.24 64.06 3 0 1000.00 -999 ? >SER~I 23 21.20 64.79 65.89 21.33 62.36 66.35 21.27 63.58 66.12 2 0 1000.00 -999 ? >GLU~I 24 25.70 67.69 62.70 26.73 66.45 61.31 26.21 67.07 62.00 2 0 1000.00 -999 ? >SER~I 25 25.62 62.68 63.04 25.71 61.45 65.17 25.66 62.07 64.11 2 0 1000.00 -999 ? >ARG~I 26 21.37 58.64 63.94 20.23 56.45 62.14 20.80 57.54 63.04 2 0 1000.00 -999 ? >LEU~I 27 21.27 65.46 59.55 20.19 67.06 58.71 20.73 66.26 59.13 3 0 1000.00 -999 ? >ASP~I 28 23.34 61.73 56.24 24.77 63.27 56.12 24.06 62.50 56.18 2 0 1000.00 -999 ? >ASP~I 29 20.43 58.06 58.29 22.37 57.28 58.16 21.40 57.67 58.22 2 0 1000.00 -999 ? >TRP~I 30 14.53 61.99 59.89 13.72 65.37 58.04 14.13 63.68 58.96 3 0 1000.00 -999 ? >LEU~I 31 18.52 63.75 54.48 18.66 65.78 55.29 18.59 64.76 54.89 3 0 1000.00 -999 ? >THR~I 32 17.40 59.80 52.87 19.15 58.72 52.56 18.28 59.26 52.71 2 0 1000.00 -999 ? >GLN~I 33 14.41 58.25 56.93 12.78 59.44 57.69 13.60 58.84 57.31 2 0 1000.00 -999 ? >ALA.I 34 12.78 62.00 54.19 12.97 62.73 55.50 12.88 62.36 54.84 2 0 1000.00 -999 ? >PRO.I 35 12.02 61.38 50.06 13.28 62.81 51.20 12.65 62.09 50.63 3 0 1000.00 -999 ? >ASP.I 36 9.34 65.41 50.61 9.34 65.99 48.59 9.34 65.70 49.60 2 0 1000.00 -999 ? >GLY^I 37 11.11 67.50 54.58 11.55 67.91 54.08 11.33 67.71 54.33 1 0 1000.00 -999 ? >VAL^I 38 12.27 70.42 56.66 10.49 71.63 56.43 11.38 71.03 56.54 3 0 1000.00 -999 ? >VAL^I 39 14.52 70.75 59.72 16.32 69.65 59.76 15.42 70.20 59.74 3 0 1000.00 -999 ? >LEU^I 40 12.64 73.42 63.27 10.60 73.19 62.57 11.62 73.30 62.92 3 0 1000.00 -999 ? >LEU^I 41 18.02 75.60 63.13 19.09 74.20 61.88 18.56 74.90 62.51 3 0 1000.00 -999 ? >SER.I 42 16.34 76.86 67.27 14.76 75.06 67.60 15.55 75.96 67.43 2 0 1000.00 -999 ? >SER.I 43 18.05 79.01 69.85 19.48 80.45 68.58 18.77 79.73 69.22 2 0 1000.00 -999 ? >ASP.I 44 18.34 80.00 74.49 17.68 79.69 76.42 18.01 79.84 75.46 2 0 1000.00 -999 ? >PRO.I 45 13.18 78.58 73.40 14.24 80.50 73.69 13.71 79.54 73.55 3 0 1000.00 -999 ? >LYS.I 46 14.61 82.99 76.65 15.24 77.43 78.25 14.93 80.21 77.45 2 0 1000.00 -999 ? >ARG.I 47 20.22 86.21 74.75 22.94 84.82 74.96 21.58 85.51 74.85 2 0 1000.00 -999 ? >THR~I 48 14.80 85.31 72.01 15.73 84.61 70.23 15.26 84.96 71.12 2 0 1000.00 -999 ? >PRO~I 49 10.73 86.47 72.87 11.77 84.61 72.26 11.25 85.54 72.57 3 0 1000.00 -999 ? >GLU~I 50 11.89 87.20 68.49 10.00 88.05 69.01 10.95 87.62 68.75 2 0 1000.00 -999 ? >VAL~I 51 12.21 81.26 68.29 14.10 80.40 68.91 13.15 80.83 68.60 3 0 1000.00 -999 ? >SER~I 52 9.03 79.85 69.74 9.36 79.54 72.12 9.19 79.70 70.93 2 0 1000.00 -999 ? >ASP~I 53 7.12 82.75 66.43 6.23 83.98 67.87 6.67 83.36 67.15 2 0 1000.00 -999 ? >ASN~I 54 10.05 78.41 64.34 11.10 78.58 62.49 10.58 78.49 63.41 2 0 1000.00 -999 ? >PRO~I 55 7.50 75.89 67.27 6.92 76.46 65.22 7.21 76.17 66.25 3 0 1000.00 -999 ? >VAL~I 56 3.21 77.53 64.19 1.77 78.80 65.19 2.49 78.17 64.69 3 0 1000.00 -999 ? >MET?I 57 4.67 79.21 61.08 4.74 82.68 61.29 4.70 80.94 61.19 2 0 1000.00 -999 ? >ILE~I 58 7.61 75.57 59.95 8.94 75.33 59.86 8.27 75.45 59.91 3 0 1000.00 -999 ? >GLY~I 59 3.33 74.17 60.72 3.36 74.77 60.14 3.35 74.47 60.43 1 0 1000.00 -999 ? >GLU~I 60 0.35 78.09 60.17 -1.10 77.04 61.28 -0.38 77.57 60.72 2 0 1000.00 -999 ? >LEU~I 61 4.77 77.12 55.88 5.72 78.36 54.40 5.24 77.74 55.14 3 0 1000.00 -999 ? >LEU~I 62 4.06 71.90 55.92 6.15 71.48 56.16 5.11 71.69 56.04 3 0 1000.00 -999 ? >HIS~I 63 -2.62 72.56 55.57 -4.62 72.16 55.08 -3.62 72.36 55.32 3 0 1000.00 -999 ? >GLU~I 64 -0.25 77.14 53.33 -2.35 77.15 53.46 -1.30 77.15 53.40 2 0 1000.00 -999 ? >PHE.I 65 4.04 74.48 49.84 4.59 77.18 49.33 4.31 75.83 49.59 3 0 1000.00 -999 ? >PRO.I 66 -1.47 70.47 49.78 0.68 69.93 49.66 -0.40 70.20 49.72 3 0 1000.00 -999 ? >ASP.I 67 3.09 69.23 45.53 2.11 69.25 43.70 2.60 69.24 44.62 2 0 1000.00 -999 ? >TYR.I 68 6.64 69.07 48.11 7.20 70.95 46.10 6.92 70.01 47.11 3 0 1000.00 -999 ? >THR.I 69 5.12 64.39 51.49 6.14 62.53 51.44 5.63 63.46 51.47 2 0 1000.00 -999 ? >TRP.I 70 5.04 69.92 52.81 8.72 70.83 51.79 6.88 70.37 52.30 3 0 1000.00 -999 ? >GLN^I 71 8.72 62.62 57.40 10.36 61.33 58.01 9.54 61.98 57.71 2 0 1000.00 -999 ? >VAL^I 72 9.48 67.51 59.93 8.16 69.10 60.59 8.82 68.30 60.26 3 0 1000.00 -999 ? >ALA^I 73 12.77 67.17 61.78 14.02 66.78 61.03 13.39 66.97 61.40 2 0 1000.00 -999 ? >ILE^I 74 12.63 69.25 66.03 11.47 68.98 66.71 12.05 69.12 66.37 3 0 1000.00 -999 ? >ALA.I 75 17.01 69.94 66.45 17.94 70.55 65.45 17.47 70.24 65.95 2 0 1000.00 -999 ? >ASP~I 76 17.91 69.84 71.23 19.80 68.91 71.27 18.86 69.38 71.25 2 0 1000.00 -999 ? >LEU~I 77 20.13 74.22 72.57 18.62 75.45 73.48 19.37 74.84 73.03 3 0 1000.00 -999 ? >GLU~I 78 24.22 71.27 73.07 22.51 71.76 74.25 23.36 71.51 73.66 2 0 1000.00 -999 ? >GLN~I 79 22.21 67.45 67.48 24.15 67.20 68.35 23.18 67.32 67.92 2 0 1000.00 -999 ? >SER~I 80 20.93 73.15 66.08 18.59 73.57 66.53 19.76 73.36 66.31 2 0 1000.00 -999 ? >GLU~I 81 24.57 76.20 68.27 25.92 76.74 69.89 25.24 76.47 69.08 2 0 1000.00 -999 ? >ALA~I 82 26.15 71.89 64.51 26.34 70.50 65.13 26.24 71.19 64.82 2 0 1000.00 -999 ? >ILE~I 83 22.08 71.02 61.85 21.03 70.10 61.57 21.55 70.56 61.71 3 0 1000.00 -999 ? >GLY~I 84 23.40 75.21 61.27 24.04 74.71 61.23 23.72 74.96 61.25 1 0 1000.00 -999 ? >ASP~I 85 28.23 75.22 61.80 27.96 76.37 63.56 28.10 75.80 62.68 2 0 1000.00 -999 ? >ARG~I 86 26.43 69.01 57.73 25.14 66.30 56.97 25.79 67.65 57.35 2 0 1000.00 -999 ? >PHE~I 87 22.95 72.84 55.94 22.59 70.12 55.39 22.77 71.48 55.67 3 0 1000.00 -999 ? >GLY.I 88 25.51 78.42 56.76 24.89 78.05 57.07 25.20 78.23 56.92 1 0 1000.00 -999 ? >ALA.I 89 22.37 79.03 58.85 21.34 78.00 59.22 21.86 78.51 59.03 2 0 1000.00 -999 ? >PHE.I 90 26.12 81.51 60.48 28.20 79.67 60.17 27.16 80.59 60.32 3 0 1000.00 -999 ? >ARG.I 91 18.41 86.10 61.49 16.74 87.29 63.76 17.57 86.70 62.62 2 0 1000.00 -999 ? >PHE.I 92 19.36 79.60 64.83 21.07 77.52 64.20 20.21 78.56 64.51 3 0 1000.00 -999 ? >PRO.I 93 13.48 81.39 65.29 15.32 81.07 64.16 14.40 81.23 64.72 3 0 1000.00 -999 ? >ALA^I 94 15.91 78.87 60.60 17.39 78.85 60.29 16.65 78.86 60.45 2 0 1000.00 -999 ? >THR^I 95 14.31 76.12 58.59 12.19 76.10 58.79 13.25 76.11 58.69 2 0 1000.00 -999 ? >LEU^I 96 17.26 72.78 56.65 19.22 73.45 57.18 18.24 73.12 56.91 3 0 1000.00 -999 ? >VAL^I 97 14.23 72.93 53.26 12.59 74.26 52.63 13.41 73.60 52.94 3 0 1000.00 -999 ? >PHE^I 98 16.44 68.87 52.88 18.75 69.54 54.35 17.59 69.21 53.62 3 0 1000.00 -999 ? >THR^I 99 12.75 68.47 48.23 11.33 69.72 47.25 12.04 69.10 47.74 2 0 1000.00 -999 ? >GLY.I 100 13.24 65.34 46.20 13.68 65.72 46.82 13.46 65.53 46.51 1 0 1000.00 -999 ? >GLY.I 101 16.28 64.71 48.40 16.13 65.36 47.96 16.20 65.04 48.18 1 0 1000.00 -999 ? >ASN^I 102 17.62 68.46 46.16 18.58 67.09 44.83 18.10 67.78 45.49 2 0 1000.00 -999 ? >TYR^I 103 20.26 72.46 51.31 20.39 74.80 52.86 20.33 73.63 52.09 3 0 1000.00 -999 ? >ARG^I 104 15.06 72.19 46.05 14.64 70.01 43.91 14.85 71.10 44.98 2 0 1000.00 -999 ? >GLY^I 105 17.79 76.43 50.86 17.40 75.81 51.22 17.59 76.12 51.04 1 0 1000.00 -999 ? >VAL^I 106 16.74 77.75 54.28 18.23 78.36 55.79 17.48 78.06 55.04 3 0 1000.00 -999 ? >LEU^I 107 12.50 79.52 55.92 11.10 79.42 54.31 11.80 79.47 55.11 3 0 1000.00 -999 ? >ASN^I 108 17.00 82.58 58.22 17.33 84.16 56.83 17.16 83.37 57.53 2 0 1000.00 -999 ? >GLY.I 109 13.78 84.71 60.58 13.39 84.03 60.32 13.59 84.37 60.45 1 0 1000.00 -999 ? >ILE.I 110 9.69 85.57 62.66 9.03 86.41 63.68 9.36 85.99 63.17 3 0 1000.00 -999 ? >HIS.I 111 10.02 86.37 56.97 11.92 85.50 56.76 10.97 85.93 56.87 3 0 1000.00 -999 ? >PRO~I 112 4.96 89.95 57.66 5.08 87.74 57.94 5.02 88.84 57.80 3 0 1000.00 -999 ? >TRP~I 113 0.65 81.81 56.74 -1.45 82.47 53.47 -0.40 82.14 55.10 3 0 1000.00 -999 ? >ALA~I 114 2.18 86.37 53.27 1.78 87.81 53.04 1.98 87.09 53.16 2 0 1000.00 -999 ? >GLU~I 115 7.66 88.60 52.37 8.95 87.45 51.17 8.30 88.02 51.77 2 0 1000.00 -999 ? >LEU~I 116 5.75 82.94 55.65 6.62 81.17 56.53 6.18 82.06 56.09 3 0 1000.00 -999 ? >ILE~I 117 3.17 81.33 51.55 2.01 81.24 50.87 2.59 81.28 51.21 3 0 1000.00 -999 ? >ASN~I 118 6.17 85.11 49.06 7.05 86.04 47.35 6.61 85.57 48.21 2 0 1000.00 -999 ? >LEU~I 119 10.27 82.82 51.58 10.90 84.71 52.37 10.59 83.76 51.98 3 0 1000.00 -999 ? >MET?I 120 8.62 78.99 49.97 9.32 76.06 51.63 8.97 77.52 50.80 2 0 1000.00 -999 ? >ARG~I 121 4.11 78.71 44.91 1.93 77.46 46.70 3.02 78.09 45.81 2 0 1000.00 -999 ? >GLY~I 122 10.30 80.52 45.59 10.27 79.90 46.11 10.28 80.21 45.85 1 0 1000.00 -999 ? >LEU.I 123 12.48 77.65 48.81 14.06 78.24 50.15 13.27 77.94 49.48 3 0 1000.00 -999 ? >VAL.I 124 10.79 74.64 46.06 9.30 74.06 47.58 10.04 74.35 46.82 3 0 1000.00 -999 ? >GLU.I 125 8.80 78.14 41.31 6.74 77.72 41.68 7.77 77.93 41.50 2 0 1000.00 -999 ? >THR~J 5 8.56 98.73 54.08 8.71 97.75 56.01 8.63 98.24 55.04 2 0 1000.00 -999 ? >PRO~J 6 11.72 101.73 54.44 11.26 99.99 53.13 11.49 100.86 53.78 3 0 1000.00 -999 ? >PHE~J 7 14.80 96.92 57.33 16.75 95.25 58.44 15.78 96.09 57.88 3 0 1000.00 -999 ? >ASP~J 8 11.20 94.43 53.14 10.04 94.27 54.93 10.62 94.35 54.03 2 0 1000.00 -999 ? >ALA~J 9 13.90 96.26 50.13 13.45 97.60 49.59 13.68 96.93 49.86 2 0 1000.00 -999 ? >LEU~J 10 17.43 98.22 52.76 19.32 98.84 53.55 18.37 98.53 53.15 3 0 1000.00 -999 ? >TRP~J 11 16.33 90.75 54.27 19.10 90.30 57.02 17.72 90.53 55.65 3 0 1000.00 -999 ? >GLN~J 12 14.62 90.78 49.60 15.65 88.97 49.08 15.13 89.88 49.34 2 0 1000.00 -999 ? >ARG~J 13 17.69 97.99 48.33 20.51 98.93 47.63 19.10 98.46 47.98 2 0 1000.00 -999 ? >MET?J 14 21.82 92.79 50.50 22.37 95.11 53.97 22.09 93.95 52.24 2 0 1000.00 -999 ? >LEU~J 15 19.56 88.47 50.17 18.83 87.71 52.06 19.20 88.09 51.12 3 0 1000.00 -999 ? >ALA~J 16 21.53 89.72 46.24 20.96 90.90 45.44 21.25 90.31 45.84 2 0 1000.00 -999 ? >ARG.J 17 25.70 93.89 48.05 23.78 95.45 46.21 24.74 94.67 47.13 2 0 1000.00 -999 ? >GLY.J 18 25.36 86.88 48.93 25.31 87.56 49.38 25.33 87.22 49.16 1 0 1000.00 -999 ? >TRP.J 19 27.58 90.35 51.25 26.82 94.20 51.25 27.20 92.27 51.25 3 0 1000.00 -999 ? >THR^J 20 24.74 86.03 55.11 26.45 84.71 55.16 25.60 85.37 55.13 2 0 1000.00 -999 ? >PRO^J 21 20.51 86.11 55.96 22.39 86.54 57.10 21.45 86.32 56.53 3 0 1000.00 -999 ? >VAL.J 22 23.11 86.66 61.28 24.91 87.56 62.10 24.01 87.11 61.69 3 0 1000.00 -999 ? >SER~J 23 21.68 87.01 64.79 20.81 84.79 65.35 21.24 85.90 65.07 2 0 1000.00 -999 ? >GLU~J 24 24.01 89.20 70.20 24.66 87.64 71.49 24.33 88.42 70.84 2 0 1000.00 -999 ? >SER~J 25 23.06 84.37 69.23 21.39 83.42 70.64 22.23 83.89 69.93 2 0 1000.00 -999 ? >ARG~J 26 22.90 80.24 65.04 25.31 78.57 64.16 24.10 79.40 64.60 2 0 1000.00 -999 ? >LEU~J 27 27.31 87.24 66.46 28.60 88.75 65.51 27.95 87.99 65.98 3 0 1000.00 -999 ? >ASP~J 28 30.37 83.72 69.18 29.56 85.17 70.48 29.97 84.45 69.83 2 0 1000.00 -999 ? >ASP~J 29 28.43 80.16 65.76 28.68 78.25 66.72 28.55 79.21 66.24 2 0 1000.00 -999 ? >TRP~J 30 28.66 83.89 59.44 30.81 87.13 58.86 29.73 85.51 59.15 3 0 1000.00 -999 ? >LEU~J 31 32.91 85.79 64.84 32.29 87.85 64.60 32.60 86.82 64.72 3 0 1000.00 -999 ? >THR~J 32 34.84 81.83 64.62 33.76 80.89 66.23 34.30 81.36 65.42 2 0 1000.00 -999 ? >GLN.J 33 31.99 80.46 60.31 31.70 81.33 58.35 31.85 80.89 59.33 2 0 1000.00 -999 ? >ALA.J 34 35.20 84.00 59.42 33.92 84.79 59.25 34.56 84.40 59.33 2 0 1000.00 -999 ? >PRO.J 35 39.29 84.18 58.19 38.12 84.87 59.98 38.70 84.52 59.08 3 0 1000.00 -999 ? >ASP.J 36 38.87 88.62 56.94 40.91 88.24 57.13 39.89 88.43 57.03 2 0 1000.00 -999 ? >GLY^J 37 34.58 89.56 58.63 35.06 90.16 58.81 34.82 89.86 58.72 1 0 1000.00 -999 ? >VAL^J 38 32.32 92.52 58.32 32.75 93.93 56.80 32.54 93.22 57.56 3 0 1000.00 -999 ? >VAL^J 39 29.08 92.72 60.22 28.82 91.56 62.02 28.95 92.14 61.12 3 0 1000.00 -999 ? >LEU^J 40 26.09 95.37 57.61 27.46 95.19 55.96 26.77 95.28 56.78 3 0 1000.00 -999 ? >LEU^J 41 24.77 97.08 63.13 25.85 95.57 64.23 25.31 96.32 63.68 3 0 1000.00 -999 ? >SER.J 42 21.54 98.89 60.23 22.02 98.24 57.95 21.78 98.57 59.09 2 0 1000.00 -999 ? >SER.J 43 18.78 101.28 61.12 19.56 102.46 63.01 19.17 101.87 62.07 2 0 1000.00 -999 ? >ASP.J 44 14.04 101.99 60.58 12.24 101.78 59.47 13.14 101.89 60.02 2 0 1000.00 -999 ? >PRO.J 45 16.23 101.29 55.62 15.79 102.99 56.97 16.01 102.14 56.29 3 0 1000.00 -999 ? >LYS.J 46 12.84 105.54 57.13 9.21 101.65 58.27 11.02 103.60 57.70 2 0 1000.00 -999 ? >ARG.J 47 13.37 107.95 63.06 12.49 105.76 65.02 12.93 106.85 64.04 2 0 1000.00 -999 ? >THR~J 48 17.73 107.38 58.25 19.33 106.20 59.01 18.53 106.79 58.63 2 0 1000.00 -999 ? >PRO~J 49 17.76 109.37 54.40 17.78 107.28 55.14 17.77 108.32 54.77 3 0 1000.00 -999 ? >GLU~J 50 22.14 109.27 55.21 22.30 110.15 53.28 22.22 109.71 54.24 2 0 1000.00 -999 ? >VAL~J 51 21.34 103.34 55.24 20.38 102.34 56.91 20.86 102.84 56.07 3 0 1000.00 -999 ? >SER~J 52 20.24 102.52 51.70 17.99 103.40 51.86 19.12 102.96 51.78 2 0 1000.00 -999 ? >ASP~J 53 24.16 105.00 50.29 23.25 106.15 48.75 23.71 105.58 49.52 2 0 1000.00 -999 ? >ASN~J 54 25.19 100.83 54.05 26.40 101.67 55.59 25.79 101.25 54.82 2 0 1000.00 -999 ? >PRO~J 55 23.02 98.24 50.89 25.15 98.84 50.82 24.08 98.54 50.85 3 0 1000.00 -999 ? >VAL~J 56 26.93 100.05 47.50 26.04 101.25 45.98 26.49 100.65 46.74 3 0 1000.00 -999 ? >MET?J 57 29.52 101.67 49.80 29.99 105.41 50.65 29.75 103.54 50.22 2 0 1000.00 -999 ? >ILE~J 58 29.79 98.11 53.03 29.55 97.59 54.36 29.67 97.85 53.69 3 0 1000.00 -999 ? >GLY~J 59 31.05 96.75 48.90 31.45 97.46 49.06 31.25 97.11 48.98 1 0 1000.00 -999 ? >GLU~J 60 31.67 100.86 46.06 31.63 100.30 44.01 31.65 100.58 45.03 2 0 1000.00 -999 ? >LEU~J 61 34.71 99.76 51.68 35.92 100.57 53.23 35.32 100.17 52.46 3 0 1000.00 -999 ? >LEU~J 62 34.99 94.56 50.99 34.23 94.12 52.95 34.61 94.34 51.97 3 0 1000.00 -999 ? >HIS~J 63 36.95 95.83 44.61 37.86 95.64 42.73 37.40 95.73 43.67 3 0 1000.00 -999 ? >GLU~J 64 38.88 100.25 47.51 39.90 100.69 45.68 39.39 100.47 46.59 2 0 1000.00 -999 ? >PHE.J 65 41.02 97.06 52.35 41.04 99.74 53.19 41.03 98.40 52.77 3 0 1000.00 -999 ? >PRO.J 66 41.86 93.61 46.63 41.83 92.85 48.71 41.84 93.23 47.67 3 0 1000.00 -999 ? >ASP.J 67 44.98 92.19 52.15 45.56 94.00 51.17 45.27 93.09 51.66 2 0 1000.00 -999 ? >TYR.J 68 42.10 91.33 55.02 43.80 93.32 56.06 42.95 92.33 55.54 3 0 1000.00 -999 ? >THR.J 69 39.11 86.71 53.02 38.89 84.95 54.22 39.00 85.83 53.62 2 0 1000.00 -999 ? >TRP.J 70 37.66 92.30 52.36 37.94 92.91 56.24 37.80 92.61 54.30 3 0 1000.00 -999 ? >GLN^J 71 32.83 85.09 54.92 32.58 83.55 56.34 32.71 84.32 55.63 2 0 1000.00 -999 ? >VAL^J 72 29.99 89.86 55.29 29.79 91.69 54.11 29.89 90.78 54.70 3 0 1000.00 -999 ? >ALA^J 73 27.22 89.56 57.86 27.63 89.05 59.24 27.43 89.31 58.55 2 0 1000.00 -999 ? >ILE^J 74 23.18 91.63 56.75 23.14 91.35 55.27 23.16 91.49 56.01 3 0 1000.00 -999 ? >ALA^J 75 21.60 91.86 61.11 22.20 92.25 62.47 21.90 92.05 61.79 2 0 1000.00 -999 ? >ASP~J 76 16.74 92.18 60.59 16.23 90.98 62.28 16.48 91.58 61.44 2 0 1000.00 -999 ? >LEU~J 77 15.28 96.67 62.77 15.01 98.37 61.45 15.15 97.52 62.11 3 0 1000.00 -999 ? >GLU~J 78 13.68 93.65 66.54 13.06 94.26 64.55 13.37 93.96 65.54 2 0 1000.00 -999 ? >GLN~J 79 19.74 89.49 65.44 18.62 88.95 67.16 19.18 89.22 66.30 2 0 1000.00 -999 ? >SER~J 80 21.42 94.85 64.84 21.21 95.34 62.47 21.31 95.10 63.65 2 0 1000.00 -999 ? >GLU~J 81 18.30 97.73 68.08 16.39 98.07 68.98 17.35 97.90 68.53 2 0 1000.00 -999 ? >ALA~J 82 21.51 93.34 70.12 20.93 91.95 69.95 21.22 92.64 70.03 2 0 1000.00 -999 ? >ILE~J 83 25.03 92.83 66.82 25.67 92.00 65.82 25.35 92.41 66.32 3 0 1000.00 -999 ? >GLY~J 84 25.50 96.87 68.67 25.40 96.32 69.21 25.45 96.59 68.94 1 0 1000.00 -999 ? >ASP~J 85 23.93 96.28 73.16 22.22 97.37 72.62 23.08 96.82 72.89 2 0 1000.00 -999 ? >ARG~J 86 26.85 90.31 72.48 28.70 88.11 71.39 27.78 89.21 71.93 2 0 1000.00 -999 ? >PHE~J 87 30.80 94.40 69.26 31.06 91.73 68.39 30.93 93.06 68.83 3 0 1000.00 -999 ? >GLY.J 88 28.95 99.34 72.41 28.90 99.10 71.67 28.93 99.22 72.04 1 0 1000.00 -999 ? >ALA.J 89 28.27 100.66 68.87 28.32 99.87 67.58 28.29 100.27 68.23 2 0 1000.00 -999 ? >PHE.J 90 25.32 103.32 71.80 24.59 101.54 73.86 24.96 102.43 72.83 3 0 1000.00 -999 ? >ARG.J 91 26.15 107.84 64.58 26.39 109.15 61.79 26.27 108.50 63.19 2 0 1000.00 -999 ? >PHE.J 92 23.00 101.16 64.61 23.67 98.82 65.93 23.33 99.99 65.27 3 0 1000.00 -999 ? >PRO.J 93 23.20 103.46 58.91 24.07 103.07 60.91 23.63 103.26 59.91 3 0 1000.00 -999 ? >ALA^J 94 27.62 100.84 61.97 27.67 100.64 63.48 27.65 100.74 62.72 2 0 1000.00 -999 ? >THR^J 95 29.99 98.21 60.43 30.63 98.24 58.35 30.31 98.22 59.39 2 0 1000.00 -999 ? >LEU^J 96 31.41 94.79 63.51 30.54 95.36 65.43 30.97 95.07 64.47 3 0 1000.00 -999 ? >VAL^J 97 35.42 95.06 61.19 36.53 96.41 59.93 35.97 95.73 60.56 3 0 1000.00 -999 ? >PHE^J 98 35.35 90.74 63.50 33.86 90.99 65.83 34.60 90.87 64.66 3 0 1000.00 -999 ? >THR^J 99 40.45 90.88 60.75 42.14 92.08 60.17 41.30 91.48 60.46 2 0 1000.00 -999 ? >GLY.J 100 42.53 87.79 61.42 41.80 88.08 61.76 42.16 87.94 61.59 1 0 1000.00 -999 ? >GLY.J 101 39.82 86.71 63.81 40.19 87.42 63.81 40.00 87.07 63.81 1 0 1000.00 -999 ? >ASN^J 102 41.56 90.46 66.00 42.64 89.13 67.20 42.10 89.79 66.60 2 0 1000.00 -999 ? >TYR^J 103 36.03 94.27 67.51 34.46 96.62 67.57 35.24 95.44 67.54 3 0 1000.00 -999 ? >ARG^J 104 42.39 94.56 64.11 44.13 92.34 65.34 43.26 93.45 64.72 2 0 1000.00 -999 ? >GLY^J 105 36.92 98.33 65.49 36.64 97.78 64.97 36.78 98.06 65.23 1 0 1000.00 -999 ? >VAL^J 106 33.90 99.99 63.78 32.09 100.51 64.88 32.99 100.25 64.33 3 0 1000.00 -999 ? >LEU^J 107 33.55 101.86 59.31 35.36 101.09 58.42 34.46 101.47 58.87 3 0 1000.00 -999 ? >ASN^J 108 30.13 104.57 63.39 31.28 106.03 64.43 30.70 105.30 63.91 2 0 1000.00 -999 ? >GLY.J 109 29.40 107.81 60.58 29.27 107.11 60.09 29.34 107.46 60.33 1 0 1000.00 -999 ? >ILE.J 110 27.59 109.48 56.70 26.65 110.37 56.09 27.12 109.92 56.39 3 0 1000.00 -999 ? >HIS.J 111 33.20 109.74 57.24 32.98 109.24 59.26 33.09 109.49 58.25 3 0 1000.00 -999 ? >PRO.J 112 32.90 112.71 51.63 32.84 110.51 52.00 32.87 111.61 51.82 3 0 1000.00 -999 ? >TRP~J 113 35.08 104.57 48.06 38.84 105.03 46.96 36.96 104.80 47.51 3 0 1000.00 -999 ? >ALA~J 114 38.08 108.99 50.35 38.60 110.30 49.78 38.34 109.64 50.06 2 0 1000.00 -999 ? >GLU~J 115 36.57 112.30 54.94 36.99 111.93 56.99 36.78 112.11 55.97 2 0 1000.00 -999 ? >LEU~J 116 35.11 105.72 53.59 34.04 103.89 53.99 34.58 104.81 53.79 3 0 1000.00 -999 ? >ILE~J 117 39.48 104.04 51.62 40.47 104.14 50.63 39.97 104.09 51.13 3 0 1000.00 -999 ? >ASN~J 118 41.56 107.44 55.32 39.88 108.45 56.19 40.72 107.94 55.75 2 0 1000.00 -999 ? >LEU~J 119 37.95 105.10 58.56 37.36 107.03 59.32 37.65 106.06 58.94 3 0 1000.00 -999 ? >MET?J 120 39.55 101.13 57.20 37.83 98.29 57.24 38.69 99.71 57.22 2 0 1000.00 -999 ? >ARG~J 121 45.20 101.13 53.32 44.35 104.07 53.38 44.78 102.60 53.35 2 0 1000.00 -999 ? >GLY.J 122 43.36 102.50 60.24 42.92 101.79 60.12 43.14 102.15 60.18 1 0 1000.00 -999 ? >LEU.J 123 40.28 99.32 61.66 38.86 100.82 62.33 39.57 100.07 62.00 3 0 1000.00 -999 ? >VAL.J 124 43.49 96.76 59.60 42.05 96.69 57.98 42.77 96.73 58.79 3 0 1000.00 -999 ? >GLU.J 125 48.54 99.82 58.42 49.97 98.35 57.84 49.25 99.08 58.13 2 0 1000.00 -999 ?