REMARK SOURCE hebe.pdb HEADER STRUCTURE GENOMICS, UNKNOWN FUNCTION 23-DEC-09 3L6I COMPND UNCHARACTERIZED LIPOPROTEIN YCEB; COMPND 3 CHAIN: A, B; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; SOURCE 3 ORGANISM_TAXID: 83333; SOURCE 4 STRAIN: K12; SOURCE 5 GENE: YCEB, B1063, JW1050; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 7 EXPRESSION_SYSTEM_TAXID: 469008; SOURCE 8 EXPRESSION_SYSTEM_STRAIN: BL21(DE3) + MAGIC AUTHOR A.P.KUZIN,H.NEELY,J.SEETHARAMAN,C.X.CHEN,H.JANJUA,K.CUNNINGHAM,L- AUTHOR 2 .C.MA,R.XIAO,J.LIU,M.C.BARAN,T.B.ACTON,B.ROST,G.T.MONTELIONE,L.TONG, AUTHOR 3 J.F.HUNT,NORTHEAST STRUCTURAL GENOMICS CONSORTIUM (NESG) HET MSE A 11 8 HET MSE A 75 8 HET MSE A 86 8 HET MSE A 108 8 HET MSE A 120 8 HET MSE A 124 8 HET MSE A 157 8 HET MSE B 11 8 HET MSE B 75 8 HET MSE B 86 8 HET MSE B 108 8 HET MSE B 120 8 HET MSE B 124 8 HET MSE B 157 8 HET NA A 1 1 HET NA B 2 1 SITE 1 AC1 3 GLN A 133 ALA A 134 ASN A 137 SITE 1 AC2 2 GLN B 133 ASN B 137 >HIS.A 7 25.32 94.64 25.58 26.64 96.17 25.02 25.98 95.41 25.30 3 0 31.98 -999 ? NA NA B 2 >HIS.A 8 29.35 92.52 23.89 29.25 94.39 22.94 29.30 93.45 23.41 3 0 35.68 -999 ? NA NA B 2 >SER.A 9 28.75 93.10 28.73 26.93 94.66 29.04 27.84 93.88 28.88 2 0 33.78 -999 ? NA NA B 2 >HIS.A 10 24.74 91.88 30.97 24.08 93.84 31.30 24.41 92.86 31.13 3 0 33.43 -999 ? NA NA B 2 >MET?A 11 28.26 87.07 31.64 31.19 87.19 34.72 29.73 87.13 33.18 2 0 40.30 -999 ? NA NA A 1 >ASN.A 12 26.16 83.37 29.41 24.53 82.07 28.98 25.35 82.72 29.19 2 0 39.76 -999 ? NA NA A 1 >GLN.A 13 25.89 80.13 32.65 26.30 78.03 32.75 26.10 79.08 32.70 2 0 36.87 -999 ? NA NA A 1 >LEU.A 14 26.78 84.76 37.76 26.12 86.77 37.28 26.45 85.76 37.52 3 0 41.56 -999 ? NA NA B 2 >THR.A 15 28.61 80.73 38.94 26.64 80.14 39.53 27.63 80.43 39.23 2 0 40.33 -999 ? NA NA A 1 >GLN^A 16 28.08 77.21 35.67 26.93 75.42 35.75 27.51 76.32 35.71 2 0 35.98 -999 ? NA NA A 1 >TYR^A 17 33.07 78.94 31.11 33.57 79.30 28.39 33.32 79.12 29.75 3 0 31.68 -999 ? NA NA A 1 >THR^A 18 30.24 75.62 30.31 28.23 74.83 30.40 29.24 75.23 30.36 2 0 32.92 -999 ? NA NA A 1 >ILE^A 19 33.59 73.54 27.68 34.94 73.64 27.62 34.27 73.59 27.65 3 0 26.85 -999 ? NA NA A 1 >THR^A 20 29.98 72.04 24.98 29.05 73.63 23.87 29.51 72.83 24.42 2 0 30.52 -999 ? NA NA A 1 >GLU~A 21 29.78 66.66 23.31 27.90 65.68 23.42 28.84 66.17 23.36 2 0 28.07 -999 ? NA NA A 1 >GLN~A 22 29.94 72.89 18.06 28.14 73.66 17.15 29.04 73.28 17.60 2 0 31.60 -999 ? NA NA A 1 >GLU~A 23 32.19 75.53 22.85 31.71 76.34 24.76 31.95 75.93 23.81 2 0 30.09 -999 ? NA NA A 1 >ILE~A 24 35.30 69.41 23.28 36.42 69.28 24.23 35.86 69.35 23.75 3 0 22.49 -999 ? NA NA A 1 >ASN~A 25 34.05 69.08 18.09 33.04 67.40 18.95 33.55 68.24 18.52 2 0 24.08 -999 ? NA NA A 1 >GLN~A 26 34.31 73.91 16.53 33.00 75.60 16.70 33.66 74.75 16.62 2 0 28.95 -999 ? NA NA A 1 >SER~A 27 39.34 72.97 19.78 40.46 73.29 21.88 39.90 73.13 20.83 2 0 21.57 -999 ? NA NA A 1 >LEU~A 28 39.64 68.13 19.18 39.84 66.76 20.85 39.74 67.44 20.01 3 0 18.24 -999 ? NA NA A 1 >ALA~A 29 40.19 70.34 15.34 38.96 70.95 14.64 39.58 70.65 14.99 2 0 22.16 -999 ? NA NA A 1 >LYS~A 30 42.80 73.03 16.09 38.73 75.53 14.92 40.77 74.28 15.50 2 0 25.38 -999 ? NA NA A 1 >HIS~A 31 44.60 72.62 20.63 44.18 74.49 21.48 44.39 73.56 21.05 3 0 19.48 -999 ? NA NA A 1 >ASN~A 32 43.56 66.82 17.01 43.85 65.16 15.70 43.70 65.99 16.35 2 0 14.83 -999 ? NA NA A 1 >ASN.A 33 48.75 68.31 14.69 47.75 70.18 14.41 48.25 69.24 14.55 2 0 16.65 -999 ? NA NA A 1 >PHE.A 34 47.75 61.24 16.96 48.63 58.69 17.70 48.19 59.96 17.33 3 0 8.38 -999 ? NA NA A 1 >SER^A 35 50.80 62.03 13.35 51.88 62.51 11.23 51.34 62.27 12.29 2 0 12.33 -999 ? NA NA A 1 >LYS^A 36 52.86 59.29 14.97 54.19 63.17 18.46 53.52 61.23 16.71 2 0 7.13 -999 ? NA NA A 1 >ASP^A 37 56.27 56.12 13.95 56.63 57.39 12.30 56.45 56.75 13.12 2 0 9.84 -999 ? NA NA A 1 >ILE^A 38 52.04 52.81 16.09 50.66 53.13 15.74 51.35 52.97 15.92 3 0 7.85 -999 ? NA NA A 1 >GLY^A 39 54.98 49.51 16.16 55.54 50.06 16.30 55.26 49.78 16.23 1 0 9.40 -999 ? NA NA A 1 >LEU^A 40 58.01 46.17 15.58 57.45 45.21 17.46 57.73 45.69 16.52 3 0 12.87 -999 ? NA NA A 1 >PRO.A 41 61.05 50.77 14.26 60.15 48.95 13.30 60.60 49.86 13.78 3 0 12.37 -999 ? NA NA A 1 >GLY.A 42 61.22 46.58 9.91 60.54 46.53 10.34 60.88 46.55 10.13 1 0 17.20 -999 ? NA NA A 1 >VAL.A 43 58.55 44.17 11.13 59.08 42.85 12.78 58.81 43.51 11.96 3 0 17.25 -999 ? NA NA A 1 >ALA^A 44 55.24 46.01 11.45 54.17 45.09 12.05 54.70 45.55 11.75 2 0 15.41 -999 ? NA NA A 1 >ASP^A 45 57.16 50.01 11.33 57.79 52.01 11.62 57.48 51.01 11.48 2 0 11.86 -999 ? NA NA A 1 >ALA^A 46 52.87 52.17 10.83 51.44 51.69 11.13 52.15 51.93 10.98 2 0 12.37 -999 ? NA NA A 1 >HIS^A 47 53.51 58.22 9.95 53.58 60.14 10.78 53.55 59.18 10.37 3 0 11.79 -999 ? NA NA A 1 >ILE^A 48 48.60 56.11 12.58 47.80 55.89 13.72 48.20 56.00 13.15 3 0 10.84 -999 ? NA NA A 1 >VAL^A 49 47.48 60.31 11.08 48.16 61.81 9.64 47.82 61.06 10.36 3 0 13.97 -999 ? NA NA A 1 >LEU^A 50 44.32 60.82 14.51 42.97 59.91 15.91 43.65 60.36 15.21 3 0 13.22 -999 ? NA NA A 1 >THR^A 51 41.62 63.37 11.73 42.13 63.27 9.63 41.88 63.32 10.68 2 0 18.56 -999 ? NA NA A 1 >ASN^A 52 37.42 63.61 11.20 37.88 64.30 9.24 37.65 63.96 10.22 2 0 22.17 -999 ? NA NA A 1 >LEU^A 53 39.01 64.11 17.07 40.52 62.70 17.68 39.76 63.41 17.37 3 0 16.74 -999 ? NA NA A 1 >THR^A 54 34.34 64.27 17.29 32.70 64.36 15.91 33.52 64.31 16.60 2 0 23.81 -999 ? NA NA A 1 >SER^A 55 33.51 63.93 20.94 33.24 66.06 22.03 33.37 64.99 21.49 2 0 23.16 -999 ? NA NA A 1 >GLN^A 56 29.47 61.17 21.24 27.61 62.20 21.08 28.54 61.69 21.16 2 0 27.44 -999 ? NA NA A 1 >ILE^A 57 30.82 65.39 26.81 31.57 66.53 27.12 31.20 65.96 26.96 3 0 25.52 -999 ? NA NA A 1 >GLY.A 58 29.63 61.85 29.61 29.28 61.77 28.93 29.45 61.81 29.27 1 0 26.52 -999 ? NA NA A 1 >ARG.A 59 25.77 61.47 24.96 25.49 63.37 22.59 25.63 62.42 23.77 2 0 29.74 -999 ? NA NA A 1 >GLU.A 60 28.98 55.42 26.62 30.01 53.89 25.58 29.50 54.66 26.10 2 0 24.97 -999 ? NA NA A 1 >GLU.A 61 32.26 54.44 32.45 32.92 53.37 30.74 32.59 53.90 31.60 2 0 23.62 -999 ? NA NA A 1 >PRO.A 62 28.33 57.99 35.30 29.45 58.82 33.54 28.89 58.40 34.42 3 0 28.56 -999 ? NA NA A 1 >ASN.A 63 33.56 60.64 35.32 34.40 58.68 35.48 33.98 59.66 35.40 2 0 24.34 -999 ? NA NA A 1 >LYS.A 64 34.28 59.86 30.68 37.60 56.45 33.20 35.94 58.15 31.94 2 0 20.35 -999 ? NA NA A 1 >VAL^A 65 34.39 61.15 27.13 34.94 63.17 26.61 34.67 62.16 26.87 3 0 21.13 -999 ? NA NA A 1 >THR^A 66 34.15 59.30 23.86 32.80 57.74 23.22 33.48 58.52 23.54 2 0 21.78 -999 ? NA NA A 1 >LEU^A 67 37.10 60.69 20.57 38.08 62.46 21.43 37.59 61.57 21.00 3 0 17.58 -999 ? NA NA A 1 >THR^A 68 35.21 59.04 16.93 33.10 59.12 16.48 34.16 59.08 16.70 2 0 22.20 -999 ? NA NA A 1 >GLY^A 69 37.86 59.71 14.31 37.58 58.93 14.20 37.72 59.32 14.26 1 0 18.52 -999 ? NA NA A 1 >ASP^A 70 38.98 59.29 9.73 36.89 59.37 9.47 37.93 59.33 9.60 2 0 21.71 -999 ? NA NA A 1 >ALA^A 71 42.96 57.48 10.56 43.58 56.57 11.62 43.27 57.03 11.09 2 0 15.02 -999 ? NA NA A 1 >ASN^A 72 45.32 58.19 6.53 43.47 58.82 5.71 44.40 58.50 6.12 2 0 19.69 -999 ? NA NA A 1 >LEU^A 73 47.73 53.37 8.62 46.46 52.98 10.31 47.09 53.18 9.46 3 0 14.97 -999 ? NA NA A 1 >ASP^A 74 52.19 54.63 5.44 51.42 56.17 4.22 51.80 55.40 4.83 2 0 17.97 -999 ? NA NA A 1 >MET?A 75 52.04 50.21 7.20 51.92 48.06 9.78 51.98 49.14 8.49 2 0 15.25 -999 ? NA NA A 1 >ASN^A 76 56.60 50.47 6.91 55.72 52.28 6.23 56.16 51.38 6.57 2 0 16.39 -999 ? NA NA A 1 >SER^A 77 57.83 46.16 6.82 57.38 43.88 7.45 57.60 45.02 7.14 2 0 19.68 -999 ? NA NA A 1 >LEU.A 78 62.32 44.32 6.07 62.20 42.18 6.27 62.26 43.25 6.17 3 0 22.24 -999 ? NA NA A 1 >PHE.A 79 60.20 41.56 2.50 62.10 39.62 3.11 61.15 40.59 2.81 3 0 25.99 -999 ? NA NA A 1 >GLY^A 80 57.38 46.92 1.50 57.35 46.81 2.33 57.36 46.87 1.91 1 0 22.91 -999 ? NA NA A 1 >SER^A 81 54.41 48.95 2.68 55.03 50.95 1.46 54.72 49.95 2.07 2 0 21.31 -999 ? NA NA A 1 >GLN^A 82 48.52 47.78 1.97 48.31 47.72 -0.14 48.41 47.75 0.91 2 0 24.69 -999 ? NA NA A 1 >LYS^A 83 48.24 52.06 2.78 50.63 56.42 1.00 49.44 54.24 1.89 2 0 21.26 -999 ? NA NA A 1 >ALA^A 84 45.35 51.51 5.19 45.72 50.58 6.33 45.54 51.04 5.76 2 0 18.98 -999 ? NA NA A 1 >THR^A 85 42.39 53.47 6.46 41.19 53.77 4.70 41.79 53.62 5.58 2 0 22.00 -999 ? NA NA A 1 >MET?A 86 40.71 53.06 9.78 43.44 51.88 12.86 42.07 52.47 11.32 2 0 15.17 -999 ? NA NA A 1 >LYS^A 87 37.61 54.18 11.61 34.09 53.00 8.94 35.85 53.59 10.27 2 0 24.52 -999 ? NA NA A 1 >LEU^A 88 39.58 55.12 15.78 41.66 54.41 15.62 40.62 54.76 15.70 3 0 15.38 -999 ? NA NA A 1 >LYS^A 89 36.21 54.88 18.52 31.06 54.00 22.11 33.63 54.44 20.32 2 0 23.65 -999 ? NA NA A 1 >LEU^A 90 39.22 57.15 21.13 40.83 57.10 19.63 40.02 57.13 20.38 3 0 14.58 -999 ? NA NA A 1 >LYS^A 91 37.53 56.78 25.14 37.31 54.57 29.28 37.42 55.67 27.21 2 0 18.88 -999 ? NA NA A 1 >ALA^A 92 39.32 59.06 27.56 39.83 60.21 26.71 39.58 59.64 27.14 2 0 15.80 -999 ? NA NA A 1 >LEU^A 93 39.86 59.94 32.16 39.37 60.04 34.29 39.61 59.99 33.22 3 0 18.97 -999 ? NA NA A 1 >PRO^A 94 36.54 64.12 30.47 38.71 63.76 30.98 37.63 63.94 30.72 3 0 20.31 -999 ? NA NA A 1 >VAL^A 95 41.11 66.00 33.63 42.88 64.74 33.71 42.00 65.37 33.67 3 0 19.15 -999 ? NA NA A 1 >PHE^A 96 40.55 71.88 35.16 40.81 74.65 35.03 40.68 73.27 35.10 3 0 25.15 -999 ? NA NA A 1 >ASP^A 97 46.09 70.89 34.11 47.98 71.36 34.91 47.04 71.13 34.51 2 0 20.49 -999 ? NA NA A 1 >LYS.A 98 44.51 74.26 37.18 42.87 70.97 41.19 43.69 72.62 39.18 2 0 26.55 -999 ? NA NA A 1 >GLU.A 99 49.31 73.48 37.83 50.78 71.96 37.64 50.05 72.72 37.73 2 0 22.08 -999 ? NA NA A 1 >LYS.A 100 47.69 75.38 32.79 51.05 71.02 32.43 49.37 73.20 32.61 2 0 17.92 -999 ? NA NA A 1 >GLY.A 101 43.97 76.11 32.95 44.44 75.57 32.49 44.21 75.84 32.72 1 0 24.51 -999 ? NA NA A 1 >ALA^A 102 43.50 73.29 30.47 44.79 73.13 29.66 44.14 73.21 30.07 2 0 20.42 -999 ? NA NA A 1 >ILE^A 103 39.97 70.18 29.52 38.58 70.04 29.82 39.27 70.11 29.67 3 0 21.60 -999 ? NA NA A 1 >PHE^A 104 45.64 67.72 29.59 47.62 69.66 29.49 46.63 68.69 29.54 3 0 16.08 -999 ? NA NA A 1 >LEU^A 105 41.14 63.70 26.13 39.27 64.62 25.57 40.21 64.16 25.85 3 0 16.51 -999 ? NA NA A 1 >LYS^A 106 43.82 61.43 29.51 47.62 64.16 31.53 45.72 62.79 30.52 2 0 13.88 -999 ? NA NA A 1 >GLU^A 107 44.03 57.82 31.85 42.83 57.21 33.50 43.43 57.52 32.67 2 0 16.47 -999 ? NA NA A 1 >MET?A 108 43.00 57.66 25.76 42.41 59.91 22.23 42.71 58.79 23.99 2 0 12.48 -999 ? NA NA A 1 >GLU^A 109 41.03 52.91 25.95 40.91 51.45 27.47 40.97 52.18 26.71 2 0 15.70 -999 ? NA NA A 1 >VAL^A 110 40.85 52.54 21.34 41.61 51.92 19.42 41.23 52.23 20.38 3 0 14.19 -999 ? NA NA A 1 >VAL^A 111 37.36 51.19 22.09 35.62 51.98 23.09 36.49 51.59 22.59 3 0 18.82 -999 ? NA NA A 1 >ASP^A 112 35.34 49.24 18.37 35.33 47.43 17.25 35.33 48.33 17.81 2 0 21.93 -999 ? NA NA A 1 >ALA^A 113 38.41 49.98 15.29 39.90 49.92 15.51 39.15 49.95 15.40 2 0 17.44 -999 ? NA NA A 1 >THR^A 114 37.66 48.85 11.76 35.60 49.39 11.46 36.63 49.12 11.61 2 0 22.90 -999 ? NA NA A 1 >VAL^A 115 40.46 48.59 9.22 42.50 48.39 9.95 41.48 48.49 9.59 3 0 19.83 -999 ? NA NA A 1 >GLN^A 116 38.10 48.77 5.07 37.18 46.99 4.33 37.64 47.88 4.70 2 0 26.62 -999 ? NA NA A 1 >PRO.A 117 44.22 46.87 2.73 42.33 47.11 3.89 43.28 46.99 3.31 3 0 23.90 -999 ? NA NA A 1 >GLU~A 118 39.96 40.97 5.15 38.68 39.91 3.85 39.32 40.44 4.50 2 0 29.44 -999 ? NA NA A 1 >LYS~A 119 45.08 41.76 5.48 47.87 39.90 7.62 46.47 40.83 6.55 2 0 23.20 -999 ? NA NA A 1 >MET?A 120 45.85 44.91 7.44 48.67 46.12 6.01 47.26 45.51 6.72 2 0 20.10 -999 ? NA NA A 1 >GLN~A 121 40.69 43.97 9.33 39.05 42.96 8.34 39.87 43.46 8.84 2 0 24.87 -999 ? NA NA A 1 >THR~A 122 45.38 41.33 11.76 45.52 39.21 11.62 45.45 40.27 11.69 2 0 22.39 -999 ? NA NA A 1 >VAL~A 123 48.44 43.60 11.72 49.88 44.20 10.17 49.16 43.90 10.95 3 0 17.85 -999 ? NA NA A 1 >MET?A 124 46.48 46.42 13.31 47.25 49.46 12.84 46.87 47.94 13.07 2 0 13.82 -999 ? NA NA A 1 >GLN~A 125 43.69 42.21 16.99 42.25 43.50 17.90 42.97 42.86 17.45 2 0 18.63 -999 ? NA NA A 1 >THR~A 126 48.69 43.28 16.88 50.29 41.96 16.25 49.49 42.62 16.57 2 0 16.56 -999 ? NA NA A 1 >LEU~A 127 49.91 47.74 15.54 51.81 47.51 14.53 50.86 47.63 15.04 3 0 12.13 -999 ? NA NA A 1 >LEU~A 128 45.53 47.18 19.40 44.03 48.65 18.84 44.78 47.91 19.12 3 0 13.57 -999 ? NA NA A 1 >PRO~A 129 48.72 45.93 22.30 48.45 48.07 21.63 48.59 47.00 21.96 3 0 11.58 -999 ? NA NA A 1 >TYR~A 130 53.14 48.90 19.51 54.90 46.86 20.16 54.02 47.88 19.84 3 0 9.30 -999 ? NA NA A 1 >LEU~A 131 47.42 52.29 18.19 46.21 53.76 17.09 46.81 53.02 17.64 3 0 9.64 -999 ? NA NA A 1 >ASN~A 132 46.69 51.85 23.44 44.73 51.15 22.95 45.71 51.50 23.20 2 0 11.42 -999 ? NA NA A 1 >GLN~A 133 53.06 54.17 24.36 54.93 53.16 24.16 53.99 53.67 24.26 2 0 -4.42 -999 ? NA NA A 1s >ALA~A 134 51.01 56.73 21.13 51.10 56.49 19.62 51.05 56.61 20.37 2 0 -4.14 -999 ? NA NA A 1s >LEU~A 135 46.22 57.20 21.67 45.19 56.95 19.68 45.70 57.08 20.67 3 0 8.91 -999 ? NA NA A 1 >ARG~A 136 48.31 55.43 28.01 49.86 52.89 27.20 49.09 54.16 27.61 2 0 8.14 -999 ? NA NA A 1 >ASN~A 137 52.60 59.33 24.67 53.57 57.94 26.00 53.09 58.64 25.33 2 0 -4.33 -999 ? NA NA A 1s >TYR~A 138 49.33 63.52 20.53 48.98 65.92 19.13 49.15 64.72 19.83 3 0 9.68 -999 ? NA NA A 1 >PHE~A 139 45.06 63.02 22.69 44.47 63.34 20.00 44.76 63.18 21.34 3 0 11.60 -999 ? NA NA A 1 >ASN~A 140 49.07 62.22 28.63 47.86 60.55 29.20 48.46 61.38 28.91 2 0 10.52 -999 ? NA NA A 1 >GLN~A 141 52.55 65.02 27.58 54.17 65.79 28.71 53.36 65.40 28.15 2 0 11.17 -999 ? NA NA A 1 >GLN~A 142 47.53 68.47 21.86 47.99 70.55 21.78 47.76 69.51 21.82 2 0 15.10 -999 ? NA NA A 1 >PRO.A 143 46.49 71.71 25.90 46.09 69.54 25.61 46.29 70.63 25.75 3 0 16.43 -999 ? NA NA A 1 >ALA.A 144 42.05 69.23 24.24 41.05 68.15 24.64 41.55 68.69 24.44 2 0 17.75 -999 ? NA NA A 1 >TYR^A 145 38.66 73.81 25.75 37.27 76.19 25.32 37.96 75.00 25.53 3 0 24.77 -999 ? NA NA A 1 >VAL^A 146 42.75 75.64 26.95 44.85 75.91 26.57 43.80 75.78 26.76 3 0 22.21 -999 ? NA NA A 1 >LEU.A 147 40.65 78.48 30.26 39.14 77.33 31.30 39.90 77.91 30.78 3 0 27.07 -999 ? NA NA A 1 >ARG.A 148 41.64 81.38 23.47 44.07 82.68 22.14 42.85 82.03 22.81 2 0 27.79 -999 ? NA NA A 1 >GLU.A 149 43.94 84.86 30.66 45.63 85.77 31.56 44.79 85.32 31.11 2 0 31.68 -999 ? NA NA A 1 >ASP.A 150 42.14 87.62 25.03 43.16 85.98 24.15 42.65 86.80 24.59 2 0 31.27 -999 ? NA NA A 1 >GLY.A 151 37.78 85.34 25.08 37.82 85.86 25.77 37.80 85.60 25.42 1 0 33.12 -999 ? NA NA A 1 >SER~A 152 34.45 85.60 26.87 33.79 83.38 27.57 34.12 84.49 27.22 2 0 34.08 -999 ? NA NA A 1 >GLN~A 153 34.17 88.66 32.34 33.18 90.41 33.07 33.68 89.54 32.71 2 0 41.24 -999 ? NA NA A 1 >GLY~A 154 33.10 83.76 31.59 33.83 83.91 31.21 33.47 83.83 31.40 1 0 35.67 -999 ? NA NA A 1 >GLU~A 155 37.57 80.75 28.49 37.81 80.27 26.44 37.69 80.51 27.46 2 0 29.06 -999 ? NA NA A 1 >ALA~A 156 38.43 84.40 31.76 38.37 85.91 31.58 38.40 85.15 31.67 2 0 34.55 -999 ? NA NA A 1 >MET?A 157 36.70 83.74 35.09 36.39 86.60 36.76 36.55 85.17 35.93 2 0 37.81 -999 ? NA NA A 1 >ALA~A 158 36.92 79.97 34.77 36.44 79.12 33.60 36.68 79.55 34.18 2 0 30.92 -999 ? NA NA A 1 >LYS~A 159 40.67 80.30 34.31 45.65 80.57 32.48 43.16 80.44 33.39 2 0 27.38 -999 ? NA NA A 1 >LYS~A 160 40.91 82.39 37.46 39.75 87.99 40.23 40.33 85.19 38.85 2 0 38.97 -999 ? NA NA A 1 >LEU~A 161 37.01 81.09 39.78 36.46 83.08 40.44 36.73 82.09 40.11 3 0 35.79 -999 ? NA NA A 1 >ALA~A 162 38.15 76.97 38.26 38.83 76.42 37.01 38.49 76.70 37.64 2 0 29.23 -999 ? NA NA A 1 >LYS.A 163 37.33 74.50 41.03 38.94 77.29 45.36 38.14 75.89 43.20 2 0 34.75 -999 ? NA NA A 1 >GLY.A 164 37.99 71.41 38.91 37.51 72.07 38.72 37.75 71.74 38.81 1 0 27.78 -999 ? NA NA A 1 >ILE.A 165 35.99 69.87 34.89 37.05 69.49 33.97 36.52 69.68 34.43 3 0 25.37 -999 ? NA NA A 1 >GLU^A 166 30.22 67.82 37.71 28.72 68.71 38.89 29.47 68.27 38.30 2 0 33.06 -999 ? NA NA A 1 >VAL^A 167 31.28 66.12 33.37 32.54 64.83 32.16 31.91 65.47 32.77 3 0 26.51 -999 ? NA NA A 1 >LYS^A 168 27.54 66.21 32.66 23.32 68.78 35.27 25.43 67.50 33.97 2 0 35.96 -999 ? NA NA A 1 >PRO.A 169 24.07 63.86 31.38 25.80 64.91 30.42 24.93 64.39 30.90 3 0 31.81 -999 ? NA NA A 1 >GLY.A 170 26.53 66.78 26.68 26.98 66.84 27.26 26.75 66.81 26.97 1 0 30.06 -999 ? NA NA A 1 >GLU^A 171 27.05 70.37 29.44 25.73 72.04 29.55 26.39 71.20 29.49 2 0 33.40 -999 ? NA NA A 1 >ILE^A 172 33.33 69.78 30.19 34.59 68.98 30.34 33.96 69.38 30.26 3 0 25.45 -999 ? NA NA A 1 >VAL^A 173 31.12 72.29 33.49 29.19 72.69 34.38 30.15 72.49 33.94 3 0 31.32 -999 ? NA NA A 1 >ILE^A 174 34.81 75.07 34.49 36.12 75.23 33.93 35.47 75.15 34.21 3 0 29.09 -999 ? NA NA A 1 >PRO^A 175 32.56 73.14 39.20 32.69 75.13 38.13 32.63 74.14 38.66 3 0 32.50 -999 ? NA NA A 1 >PHE.A 176 32.95 80.52 38.34 32.93 81.12 35.64 32.94 80.82 36.99 3 0 35.55 -999 ? NA NA A 1 >THR.A 177 32.40 77.54 43.49 30.41 77.45 44.30 31.40 77.50 43.89 2 0 38.78 -999 ? NA NA A 1 >HIS.B 6 39.10 93.86 30.25 40.28 93.10 28.70 39.69 93.48 29.47 3 0 40.16 -999 ? NA NA A 1 >HIS.B 7 32.31 98.43 30.68 31.76 100.45 30.81 32.04 99.44 30.74 3 0 36.19 -999 ? NA NA B 2 >HIS.B 8 29.92 96.36 33.99 29.15 98.19 33.30 29.54 97.27 33.64 3 0 35.80 -999 ? NA NA B 2 >SER~B 9 33.92 92.90 37.06 33.77 93.86 39.29 33.84 93.38 38.18 2 0 42.88 -999 ? NA NA B 2 >HIS~B 10 32.82 86.98 38.56 31.71 85.21 38.79 32.27 86.10 38.67 3 0 40.34 -999 ? NA NA A 1 >MET?B 11 31.99 90.92 41.51 32.30 90.93 44.90 32.14 90.92 43.21 2 0 45.75 -999 ? NA NA B 2 >ASN~B 12 30.55 94.80 39.04 29.48 96.63 38.98 30.01 95.72 39.01 2 0 38.13 -999 ? NA NA B 2 >GLN~B 13 28.74 91.59 35.72 29.23 90.59 33.91 28.99 91.09 34.82 2 0 39.18 -999 ? NA NA B 2 >LEU~B 14 28.35 88.55 41.98 29.41 86.69 41.57 28.88 87.62 41.77 3 0 43.73 -999 ? NA NA B 2 >THR~B 15 25.69 92.14 42.99 27.51 92.78 43.89 26.60 92.46 43.44 2 0 40.99 -999 ? NA NA B 2 >GLN^B 16 25.70 96.18 40.12 26.60 97.94 40.90 26.15 97.06 40.51 2 0 36.31 -999 ? NA NA B 2 >TYR^B 17 21.06 93.64 35.12 20.63 93.18 32.41 20.84 93.41 33.77 3 0 31.45 -999 ? NA NA B 2 >THR^B 18 24.02 97.37 34.85 25.87 98.30 35.39 24.94 97.84 35.12 2 0 33.01 -999 ? NA NA B 2 >ILE^B 19 20.86 99.06 31.69 19.53 98.77 31.52 20.19 98.91 31.61 3 0 26.88 -999 ? NA NA B 2 >THR^B 20 24.73 100.82 29.54 26.28 99.44 28.97 25.50 100.13 29.25 2 0 30.74 -999 ? NA NA B 2 >GLU~B 21 25.01 105.70 27.75 26.66 106.99 27.74 25.83 106.34 27.74 2 0 28.12 -999 ? NA NA B 2 >GLN~B 22 25.63 99.37 22.46 27.44 98.32 22.01 26.53 98.84 22.24 2 0 31.49 -999 ? NA NA B 2 >GLU~B 23 23.28 96.98 27.07 23.80 96.45 29.05 23.54 96.72 28.06 2 0 30.28 -999 ? NA NA B 2 >ILE~B 24 19.51 102.85 26.67 18.31 102.82 27.48 18.91 102.83 27.07 3 0 22.44 -999 ? NA NA B 2 >ASN~B 25 21.58 102.66 21.74 22.40 104.44 22.60 21.99 103.55 22.17 2 0 24.27 -999 ? NA NA B 2 >GLN~B 26 21.88 97.60 20.95 23.14 96.01 21.61 22.51 96.81 21.28 2 0 29.16 -999 ? NA NA B 2 >SER~B 27 16.42 98.44 23.14 15.01 98.21 25.09 15.72 98.32 24.12 2 0 21.84 -999 ? NA NA B 2 >LEU~B 28 15.44 103.13 22.12 14.97 104.43 23.82 15.20 103.78 22.97 3 0 18.21 -999 ? NA NA B 2 >ALA~B 29 15.72 100.69 18.31 17.07 100.27 17.77 16.40 100.48 18.04 2 0 22.15 -999 ? NA NA B 2 >LYS~B 30 13.57 97.59 18.81 16.45 93.00 17.85 15.01 95.29 18.33 2 0 26.79 -999 ? NA NA B 2 >HIS.B 31 10.54 100.15 21.58 11.15 99.62 23.51 10.85 99.88 22.54 3 0 17.62 -999 ? NA NA B 2 >ASN.B 32 6.51 100.58 16.29 6.06 99.14 14.77 6.28 99.86 15.53 2 0 17.35 -999 ? NA NA B 2 >ASN.B 33 9.61 104.91 14.24 11.22 103.78 13.42 10.42 104.34 13.83 2 0 17.24 -999 ? NA NA B 2 >PHE^B 34 7.81 109.65 18.46 6.58 112.11 18.92 7.19 110.88 18.69 3 0 8.39 -999 ? NA NA B 2 >SER^B 35 5.31 108.56 14.59 4.43 107.92 12.40 4.87 108.24 13.49 2 0 12.00 -999 ? NA NA B 2 >LYS^B 36 2.89 111.35 15.46 1.20 107.73 19.29 2.04 109.54 17.37 2 0 6.67 -999 ? NA NA B 2 >ASP^B 37 -0.43 114.49 13.95 -0.92 113.41 12.23 -0.67 113.95 13.09 2 0 9.72 -999 ? NA NA B 2 >ILE^B 38 3.47 117.71 16.58 4.85 117.46 16.54 4.16 117.58 16.56 3 0 7.78 -999 ? NA NA B 2 >GLY^B 39 0.59 121.11 16.14 0.04 120.54 16.17 0.32 120.83 16.15 1 0 9.36 -999 ? NA NA B 2 >LEU^B 40 -2.46 124.40 15.23 -1.93 124.80 17.34 -2.19 124.60 16.28 3 0 12.41 -999 ? NA NA B 2 >PRO.B 41 -4.89 119.85 13.11 -3.94 121.74 12.38 -4.42 120.79 12.74 3 0 12.36 -999 ? NA NA B 2 >GLY.B 42 -4.90 124.53 9.34 -4.26 124.55 9.84 -4.58 124.54 9.59 1 0 17.26 -999 ? NA NA B 2 >VAL.B 43 -2.27 126.76 10.91 -2.68 128.03 12.63 -2.48 127.40 11.77 3 0 17.17 -999 ? NA NA B 2 >ALA^B 44 1.03 125.00 11.43 2.01 125.99 12.08 1.52 125.50 11.75 2 0 15.82 -999 ? NA NA B 2 >ASP^B 45 -0.01 120.68 11.98 -0.77 120.12 10.09 -0.39 120.40 11.03 2 0 13.44 -999 ? NA NA B 2 >ALA^B 46 3.58 118.37 10.98 5.00 118.77 11.35 4.29 118.57 11.17 2 0 12.71 -999 ? NA NA B 2 >HIS^B 47 3.29 112.25 10.40 3.32 110.32 11.21 3.31 111.28 10.80 3 0 11.84 -999 ? NA NA B 2 >ILE^B 48 7.60 114.58 13.73 8.25 114.86 14.95 7.93 114.72 14.34 3 0 11.00 -999 ? NA NA B 2 >VAL^B 49 8.89 110.36 12.55 8.54 108.77 11.09 8.71 109.56 11.82 3 0 13.97 -999 ? NA NA B 2 >LEU^B 50 11.43 110.15 16.42 12.79 111.13 17.74 12.11 110.64 17.08 3 0 13.40 -999 ? NA NA B 2 >THR^B 51 14.49 107.37 14.26 14.23 107.29 12.12 14.36 107.33 13.19 2 0 18.43 -999 ? NA NA B 2 >ASN^B 52 18.66 107.58 14.23 20.72 107.24 13.86 19.69 107.41 14.04 2 0 23.16 -999 ? NA NA B 2 >LEU^B 53 16.61 107.12 19.94 14.77 108.26 20.05 15.69 107.69 19.99 3 0 16.93 -999 ? NA NA B 2 >THR^B 54 21.15 107.60 20.79 22.98 107.71 19.72 22.07 107.65 20.25 2 0 23.86 -999 ? NA NA B 2 >SER^B 55 21.39 107.81 24.58 21.59 105.75 25.90 21.49 106.78 25.24 2 0 23.37 -999 ? NA NA B 2 >GLN^B 56 24.53 111.18 25.30 23.06 111.68 23.82 23.80 111.43 24.56 2 0 23.23 -999 ? NA NA B 2 >ILE^B 57 23.12 106.94 31.05 22.48 105.70 31.38 22.80 106.32 31.22 3 0 25.72 -999 ? NA NA B 2 >GLY.B 58 23.86 110.71 33.65 24.21 110.77 32.92 24.03 110.74 33.28 1 0 26.77 -999 ? NA NA B 2 >ARG.B 59 28.07 110.49 30.19 29.91 108.08 29.87 28.99 109.28 30.03 2 0 31.47 -999 ? NA NA B 2 >GLU.B 60 24.90 116.58 30.11 24.17 117.89 28.63 24.54 117.24 29.37 2 0 25.43 -999 ? NA NA B 2 >GLU.B 61 20.96 118.01 34.86 18.92 118.56 34.82 19.94 118.29 34.84 2 0 23.41 -999 ? NA NA B 2 >PRO.B 62 24.28 114.63 38.99 23.39 113.70 37.16 23.83 114.16 38.07 3 0 28.81 -999 ? NA NA B 2 >ASN.B 63 19.11 112.01 38.66 18.35 114.01 38.56 18.73 113.01 38.61 2 0 24.79 -999 ? NA NA B 2 >LYS.B 64 18.87 112.29 33.94 16.02 115.92 36.37 17.44 114.11 35.16 2 0 21.70 -999 ? NA NA B 2 >VAL^B 65 19.26 110.75 30.51 18.87 108.63 30.11 19.06 109.69 30.31 3 0 21.23 -999 ? NA NA B 2 >THR^B 66 19.54 112.56 27.21 21.09 114.03 27.43 20.32 113.30 27.32 2 0 21.81 -999 ? NA NA B 2 >LEU^B 67 17.29 110.66 23.62 16.57 108.89 24.68 16.93 109.78 24.15 3 0 17.53 -999 ? NA NA B 2 >THR^B 68 19.89 112.37 20.39 21.70 113.38 19.90 20.80 112.88 20.15 2 0 21.80 -999 ? NA NA B 2 >GLY^B 69 17.78 111.53 17.36 18.08 112.24 17.20 17.93 111.88 17.28 1 0 18.48 -999 ? NA NA B 2 >ASP^B 70 17.55 111.23 12.60 19.64 111.51 12.39 18.60 111.37 12.49 2 0 21.94 -999 ? NA NA B 2 >ALA^B 71 13.54 113.37 12.72 12.92 114.43 13.62 13.23 113.90 13.17 2 0 15.36 -999 ? NA NA B 2 >ASN^B 72 11.65 112.21 8.49 13.55 111.43 7.95 12.60 111.82 8.22 2 0 19.59 -999 ? NA NA B 2 >LEU^B 73 9.20 117.23 9.82 10.15 117.74 11.68 9.68 117.49 10.75 3 0 15.23 -999 ? NA NA B 2 >ASP^B 74 5.22 115.68 6.04 4.31 116.25 4.21 4.76 115.97 5.13 2 0 18.37 -999 ? NA NA B 2 >MET?B 75 5.43 120.29 7.60 9.19 121.75 9.27 7.31 121.02 8.44 2 0 17.54 -999 ? NA NA B 2 >ASN^B 76 0.99 121.64 6.70 1.10 119.61 6.08 1.05 120.62 6.39 2 0 16.91 -999 ? NA NA B 2 >SER^B 77 2.19 126.10 7.00 4.44 126.46 7.85 3.31 126.28 7.43 2 0 19.46 -999 ? NA NA B 2 >LEU.B 78 -0.61 130.03 6.23 -2.13 130.44 7.71 -1.37 130.23 6.97 3 0 22.28 -999 ? NA NA B 2 >PHE.B 79 -0.18 131.32 2.41 -1.97 133.04 3.65 -1.07 132.18 3.03 3 0 26.39 -999 ? NA NA B 2 >GLY^B 80 3.00 126.08 1.74 2.66 125.96 2.45 2.83 126.02 2.10 1 0 23.82 -999 ? NA NA B 2 >SER^B 81 4.16 122.64 2.81 1.95 121.67 2.68 3.05 122.15 2.74 2 0 20.88 -999 ? NA NA B 2 >GLN^B 82 9.95 122.70 3.89 10.97 122.94 2.04 10.46 122.82 2.96 2 0 24.48 -999 ? NA NA B 2 >LYS^B 83 9.77 118.39 3.83 7.51 114.06 1.61 8.64 116.23 2.72 2 0 21.64 -999 ? NA NA B 2 >ALA^B 84 12.35 118.93 6.54 11.90 120.05 7.46 12.12 119.49 7.00 2 0 19.75 -999 ? NA NA B 2 >THR^B 85 14.81 117.06 8.69 16.39 116.48 7.34 15.60 116.77 8.02 2 0 22.09 -999 ? NA NA B 2 >MET?B 86 15.82 117.84 12.22 12.69 119.29 14.66 14.25 118.56 13.44 2 0 15.62 -999 ? NA NA B 2 >LYS^B 87 18.54 116.89 14.66 22.07 114.23 11.91 20.31 115.56 13.29 2 0 24.23 -999 ? NA NA B 2 >LEU^B 88 15.77 115.91 18.36 13.78 116.58 17.98 14.78 116.24 18.17 3 0 15.44 -999 ? NA NA B 2 >LYS^B 89 18.34 116.46 21.73 23.21 117.65 25.55 20.77 117.05 23.64 2 0 23.82 -999 ? NA NA B 2 >LEU^B 90 14.96 114.15 23.90 13.74 114.26 22.12 14.35 114.21 23.01 3 0 14.40 -999 ? NA NA B 2 >LYS^B 91 16.09 114.94 28.10 17.75 119.56 31.41 16.92 117.25 29.76 2 0 20.96 -999 ? NA NA B 2 >ALA^B 92 14.17 112.69 30.48 13.64 111.55 29.62 13.90 112.12 30.05 2 0 15.82 -999 ? NA NA B 2 >LEU^B 93 13.14 111.86 35.03 13.37 111.80 37.20 13.25 111.83 36.11 3 0 19.53 -999 ? NA NA B 2 >PRO^B 94 16.81 107.84 33.81 14.58 108.14 34.02 15.69 107.99 33.92 3 0 20.59 -999 ? NA NA B 2 >VAL^B 95 12.03 105.85 36.49 10.24 107.05 36.21 11.14 106.45 36.35 3 0 19.65 -999 ? NA NA B 2 >PHE^B 96 12.64 100.03 38.33 12.54 97.25 38.15 12.59 98.64 38.24 3 0 25.58 -999 ? NA NA B 2 >ASP^B 97 7.38 100.52 36.21 5.45 99.78 36.66 6.42 100.15 36.43 2 0 21.04 -999 ? NA NA B 2 >LYS.B 98 8.43 97.86 40.09 9.28 100.75 45.71 8.86 99.31 42.90 2 0 28.67 -999 ? NA NA B 2 >GLU.B 99 3.17 96.79 40.11 1.14 97.34 39.95 2.16 97.06 40.03 2 0 24.42 -999 ? NA NA B 2 >LYS.B 100 6.58 95.89 35.29 2.92 100.18 32.43 4.75 98.04 33.86 2 0 17.43 -999 ? NA NA B 2 >GLY.B 101 10.31 95.41 35.83 9.86 95.92 35.29 10.08 95.67 35.56 1 0 25.23 -999 ? NA NA B 2 >ALA^B 102 10.75 98.18 33.28 9.52 98.30 32.38 10.14 98.24 32.83 2 0 20.96 -999 ? NA NA B 2 >ILE^B 103 14.00 101.64 32.83 15.30 101.90 33.17 14.65 101.77 33.00 3 0 21.94 -999 ? NA NA B 2 >PHE^B 104 8.16 103.54 31.75 6.43 101.41 31.38 7.30 102.47 31.57 3 0 16.55 -999 ? NA NA B 2 >LEU^B 105 12.76 107.79 28.97 14.78 106.99 28.81 13.77 107.39 28.89 3 0 16.70 -999 ? NA NA B 2 >LYS^B 106 9.52 110.14 31.85 5.08 107.79 33.96 7.30 108.96 32.90 2 0 14.38 -999 ? NA NA B 2 >GLU^B 107 9.01 114.12 33.92 10.12 114.88 35.57 9.57 114.50 34.75 2 0 17.05 -999 ? NA NA B 2 >MET?B 108 10.63 113.65 27.92 12.82 111.82 25.76 11.73 112.73 26.84 2 0 13.53 -999 ? NA NA B 2 >GLU^B 109 12.40 118.44 28.44 12.18 120.09 29.73 12.29 119.27 29.08 2 0 15.81 -999 ? NA NA B 2 >VAL^B 110 13.27 118.83 23.76 12.81 119.29 21.69 13.04 119.06 22.73 3 0 14.10 -999 ? NA NA B 2 >VAL^B 111 16.50 120.47 24.87 17.96 119.81 26.34 17.23 120.14 25.60 3 0 18.75 -999 ? NA NA B 2 >ASP^B 112 19.45 121.15 21.33 20.55 122.40 22.65 20.00 121.78 21.99 2 0 22.31 -999 ? NA NA B 2 >ALA^B 113 16.58 121.24 17.92 15.06 121.23 17.95 15.82 121.24 17.93 2 0 17.28 -999 ? NA NA B 2 >THR^B 114 17.90 122.36 14.54 20.02 122.29 14.97 18.96 122.32 14.76 2 0 22.84 -999 ? NA NA B 2 >VAL^B 115 15.87 122.05 11.37 13.69 122.20 11.47 14.78 122.13 11.42 3 0 19.96 -999 ? NA NA B 2 >GLN^B 116 19.28 121.29 8.00 19.97 123.32 7.88 19.62 122.30 7.94 2 0 26.21 -999 ? NA NA B 2 >PRO~B 117 14.36 123.18 3.87 15.59 123.18 5.75 14.97 123.18 4.81 3 0 24.60 -999 ? NA NA B 2 >GLU~B 118 18.48 127.79 9.57 20.41 128.66 9.66 19.44 128.23 9.62 2 0 28.08 -999 ? NA NA B 2 >LYS~B 119 13.97 128.63 6.86 12.34 127.22 0.91 13.15 127.93 3.89 2 0 27.83 -999 ? NA NA B 2 >MET?B 120 11.57 126.34 8.80 9.50 125.63 6.38 10.54 125.99 7.59 2 0 21.73 -999 ? NA NA B 2 >GLN.B 121 15.04 127.48 13.86 15.51 125.46 14.35 15.27 126.47 14.11 2 0 20.84 -999 ? NA NA B 2 >THR.B 122 10.58 129.59 13.23 10.46 131.66 12.75 10.52 130.62 12.99 2 0 22.66 -999 ? NA NA B 2 >VAL.B 123 7.66 127.27 12.56 6.62 126.66 10.73 7.14 126.97 11.65 3 0 18.18 -999 ? NA NA B 2 >MET?B 124 9.49 124.48 14.33 9.86 121.28 14.69 9.67 122.88 14.51 2 0 14.35 -999 ? NA NA B 2 >GLN.B 125 10.73 128.74 18.71 12.18 127.85 19.98 11.46 128.30 19.35 2 0 18.73 -999 ? NA NA B 2 >THR.B 126 6.21 127.17 17.55 4.72 128.49 16.69 5.47 127.83 17.12 2 0 16.33 -999 ? NA NA B 2 >LEU.B 127 5.92 122.65 16.01 4.50 122.71 14.37 5.21 122.68 15.19 3 0 12.32 -999 ? NA NA B 2 >LEU.B 128 9.34 123.33 20.58 11.32 122.97 19.72 10.33 123.15 20.15 3 0 14.07 -999 ? NA NA B 2 >PRO.B 129 5.28 124.89 22.56 5.94 122.74 22.40 5.61 123.81 22.48 3 0 11.53 -999 ? NA NA B 2 >TYR.B 130 1.75 121.69 19.62 -0.05 123.76 20.03 0.85 122.73 19.82 3 0 9.25 -999 ? NA NA B 2 >LEU.B 131 7.59 118.30 19.35 8.92 116.82 18.55 8.25 117.56 18.95 3 0 9.55 -999 ? NA NA B 2 >ASN.B 132 7.27 119.02 24.77 9.22 119.87 24.69 8.24 119.44 24.73 2 0 11.41 -999 ? NA NA B 2 >GLN.B 133 0.98 116.43 24.47 -0.89 117.40 24.08 0.05 116.92 24.27 2 0 -4.34 -999 ? NA NA B 2s >ALA.B 134 3.70 113.92 21.92 3.86 114.14 20.45 3.78 114.03 21.19 2 0 4.14 -999 ? NA NA B 2 >LEU.B 135 8.35 113.61 23.36 9.81 113.86 21.75 9.08 113.74 22.55 3 0 9.10 -999 ? NA NA B 2 >ARG.B 136 4.97 115.46 29.12 3.56 117.93 27.94 4.26 116.69 28.53 2 0 8.16 -999 ? NA NA B 2 >ASN.B 137 1.54 111.21 25.20 0.33 112.57 26.29 0.93 111.89 25.75 2 0 -4.56 -999 ? NA NA B 2s >TYR.B 138 6.17 107.33 22.02 7.65 105.24 20.91 6.91 106.28 21.47 3 0 10.19 -999 ? NA NA B 2 >PHE.B 139 9.73 108.25 25.14 11.27 107.96 22.83 10.50 108.11 23.98 3 0 12.10 -999 ? NA NA B 2 >ASN.B 140 4.30 108.47 29.79 5.07 110.26 30.66 4.69 109.36 30.23 2 0 10.71 -999 ? NA NA B 2 >GLN.B 141 2.64 104.50 25.56 1.48 102.91 24.73 2.06 103.71 25.14 2 0 11.30 -999 ? NA NA B 2 >GLN.B 142 7.95 102.44 23.76 7.41 100.39 23.55 7.68 101.41 23.65 2 0 15.37 -999 ? NA NA B 2 >PRO.B 143 8.30 99.43 28.20 8.78 101.59 27.84 8.54 100.51 28.02 3 0 16.91 -999 ? NA NA B 2 >ALA.B 144 13.00 102.08 27.22 13.90 103.15 27.79 13.45 102.62 27.50 2 0 18.44 -999 ? NA NA B 2 >TYR^B 145 16.25 97.80 29.44 17.94 95.57 29.45 17.10 96.69 29.45 3 0 25.31 -999 ? NA NA B 2 >VAL^B 146 12.15 95.73 30.23 10.08 95.46 29.64 11.12 95.60 29.94 3 0 22.76 -999 ? NA NA B 2 >LEU.B 147 13.94 93.14 33.92 15.35 94.32 35.03 14.65 93.73 34.47 3 0 27.81 -999 ? NA NA B 2 >ARG.B 148 13.48 90.32 27.21 11.29 88.57 25.96 12.38 89.44 26.59 2 0 27.90 -999 ? NA NA B 2 >GLU.B 149 11.71 85.38 33.77 10.11 83.98 33.91 10.91 84.68 33.84 2 0 33.66 -999 ? NA NA B 2 >ASP.B 150 14.49 84.05 28.26 13.85 85.70 27.11 14.17 84.88 27.68 2 0 31.71 -999 ? NA NA B 2 >GLY.B 151 18.74 86.36 29.13 18.64 85.86 29.79 18.69 86.11 29.46 1 0 33.97 -999 ? NA NA B 2 >SER~B 152 21.84 86.44 31.32 22.18 88.74 32.05 22.01 87.59 31.69 2 0 34.94 -999 ? NA NA B 2 >GLN~B 153 22.13 82.69 35.19 23.51 81.28 35.98 22.82 81.98 35.59 2 0 41.86 -999 ? NA NA A 1 >GLY~B 154 22.19 88.64 36.05 21.55 88.35 35.61 21.87 88.49 35.83 1 0 36.38 -999 ? NA NA B 2 >GLU~B 155 17.69 90.93 32.36 17.26 90.87 30.30 17.48 90.90 31.33 2 0 29.87 -999 ? NA NA B 2 >ALA~B 156 16.98 87.25 35.61 17.09 85.76 35.34 17.03 86.51 35.48 2 0 35.45 -999 ? NA NA B 2 >MET?B 157 18.16 88.04 39.16 21.87 86.36 40.38 20.01 87.20 39.77 2 0 39.63 -999 ? NA NA B 2 >ALA~B 158 17.41 91.74 38.62 17.97 92.61 37.50 17.69 92.18 38.06 2 0 31.83 -999 ? NA NA B 2 >LYS~B 159 13.92 90.89 37.43 9.56 89.75 34.59 11.74 90.32 36.01 2 0 28.78 -999 ? NA NA B 2 >LYS~B 160 13.24 89.09 40.74 11.75 83.15 40.22 12.49 86.12 40.48 2 0 37.56 -999 ? NA NA B 2 >LEU~B 161 16.71 90.96 43.38 17.54 89.11 44.14 17.13 90.03 43.76 3 0 36.52 -999 ? NA NA B 2 >ALA~B 162 14.95 94.78 41.65 14.79 95.11 40.16 14.87 94.95 40.90 2 0 29.99 -999 ? NA NA B 2 >LYS.B 163 13.65 97.48 44.01 13.61 95.04 48.86 13.63 96.26 46.43 2 0 35.53 -999 ? NA NA B 2 >GLY.B 164 14.78 100.58 42.13 15.36 99.98 42.02 15.07 100.28 42.08 1 0 28.30 -999 ? NA NA B 2 >ILE.B 165 17.13 102.46 38.49 16.15 102.71 37.42 16.64 102.58 37.95 3 0 25.68 -999 ? NA NA B 2 >GLU^B 166 22.61 104.46 41.86 23.99 103.42 43.07 23.30 103.94 42.46 2 0 33.62 -999 ? NA NA B 2 >VAL^B 167 21.85 106.41 37.51 20.59 107.65 36.21 21.22 107.03 36.86 3 0 26.82 -999 ? NA NA B 2 >LYS^B 168 25.64 106.72 37.08 25.15 107.54 41.51 25.39 107.13 39.30 2 0 32.49 -999 ? NA NA B 2 >PRO.B 169 28.95 109.39 35.89 27.46 108.01 34.93 28.21 108.70 35.41 3 0 31.68 -999 ? NA NA B 2 >GLY.B 170 27.13 105.89 31.29 26.62 105.83 31.90 26.87 105.86 31.60 1 0 29.76 -999 ? NA NA B 2 >GLU^B 171 26.74 102.73 34.56 28.35 101.38 34.91 27.55 102.06 34.74 2 0 33.56 -999 ? NA NA B 2 >ILE^B 172 20.31 102.62 34.29 19.01 103.14 34.03 19.66 102.88 34.16 3 0 25.60 -999 ? NA NA B 2 >VAL^B 173 22.29 100.26 37.83 24.21 100.10 38.82 23.25 100.18 38.32 3 0 31.54 -999 ? NA NA B 2 >ILE^B 174 18.89 96.99 38.48 17.61 96.63 37.91 18.25 96.81 38.20 3 0 29.76 -999 ? NA NA B 2 >PRO^B 175 20.83 98.94 43.33 20.77 97.00 42.22 20.80 97.97 42.77 3 0 33.43 -999 ? NA NA B 2 >PHE.B 176 21.56 91.53 42.12 22.03 91.04 39.42 21.80 91.28 40.77 3 0 36.55 -999 ? NA NA B 2 >THR.B 177 20.96 94.25 47.40 22.63 93.98 48.77 21.79 94.12 48.09 2 0 40.31 -999 ? NA NA B 2