REMARK SOURCE hebe.pdb HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 07-AUG-09 3ILM COMPND ALR3790 PROTEIN; COMPND 3 CHAIN: A, B, C, D; COMPND 4 FRAGMENT: SEQUENCE DATABASE RESIDUES 20-151; COMPND 5 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: NOSTOC SP.; SOURCE 3 ORGANISM_TAXID: 103690; SOURCE 4 STRAIN: PCC 7120; SOURCE 5 GENE: ALR3790; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 7 EXPRESSION_SYSTEM_TAXID: 469008; SOURCE 8 EXPRESSION_SYSTEM_STRAIN: BL21 (DE3) +MAGIC; SOURCE 9 EXPRESSION_SYSTEM_VECTOR: PET 21-23C AUTHOR S.VOROBIEV,Y.CHEN,M.MAGLAQUI,C.CICCOSANTI,L.MAO,R.XIAO,T.B.ACTON, AUTHOR 2 G.T.MONTELIONE,L.TONG,J.F.HUNT,NORTHEAST STRUCTURAL GENOMICS AUTHOR 3 CONSORTIUM (NESG) HET MSE A 53 8 HET MSE A 56 8 HET MSE A 58 8 HET MSE A 140 8 HET MSE B 53 8 HET MSE B 56 8 HET MSE B 58 8 HET MSE B 140 8 HET MSE C 53 8 HET MSE C 56 8 HET MSE C 58 8 HET MSE C 140 8 HET MSE D 53 8 HET MSE D 56 8 HET MSE D 58 8 HET MSE D 140 8 HET MN A 204 1 HET MN B 202 1 HET MN C 201 1 HET MN C 205 1 HET MN D 203 1 SITE 1 AC1 4 HIS A 51 GLU A 120 HOH B 352 HOH B 412 SITE 1 AC2 2 GLU B 61 HOH B 333 SITE 1 AC3 5 HIS C 51 GLU C 120 HOH C 351 GLU D 120 SITE 1 AC4 3 ASP B 76 HIS C 101 HOH C 360 SITE 1 AC5 2 HIS D 51 GLU D 120 >SER.A 20 27.75 33.87 85.75 28.73 33.85 83.55 28.24 33.86 84.65 2 0 19.15 -999 ? MN MN A 204 >ASP~A 21 23.93 36.69 86.29 21.84 36.93 86.34 22.88 36.81 86.32 2 0 22.03 -999 ? MN MN A 204 >ALA~A 22 22.43 35.85 82.10 21.08 35.21 81.84 21.75 35.53 81.97 2 0 17.40 -999 ? MN MN A 204 >HIS~A 23 20.02 39.94 84.26 17.99 39.63 84.69 19.01 39.78 84.48 3 0 21.67 -999 ? MN MN A 204 >VAL~A 24 25.68 40.13 82.53 27.29 39.87 83.97 26.48 40.00 83.25 3 0 20.16 -999 ? MN MN A 204 >LEU~A 25 25.99 36.74 79.02 26.81 35.70 77.32 26.40 36.22 78.17 3 0 14.07 -999 ? MN MN A 204 >LYS~A 26 23.31 40.11 77.69 18.31 42.86 77.89 20.81 41.48 77.79 2 0 18.05 -999 ? MN MN A 204 >SER~A 27 24.99 43.38 78.63 24.08 44.16 80.71 24.54 43.77 79.67 2 0 20.08 -999 ? MN MN A 204 >ARG~A 28 31.08 41.92 78.71 33.53 40.07 78.48 32.30 40.99 78.59 2 0 18.45 -999 ? MN MN A 204 >LEU~A 29 25.60 40.20 73.71 25.99 38.42 72.54 25.80 39.31 73.13 3 0 11.31 -999 ? MN MN A 204 >GLU~A 30 22.27 44.36 74.42 20.73 45.14 75.63 21.50 44.75 75.03 2 0 17.54 -999 ? MN MN A 204 >TRP~A 31 24.56 47.27 76.95 23.41 50.49 75.01 23.99 48.88 75.98 3 0 20.49 -999 ? MN MN A 204 >GLY~A 32 30.64 45.21 75.85 30.48 45.30 75.17 30.56 45.26 75.51 1 0 18.58 -999 ? MN MN A 204 >PRO.A 34 35.00 44.21 70.49 34.11 42.83 72.03 34.55 43.52 71.26 3 0 17.06 -999 ? MN MN A 204 >ALA.A 35 36.53 39.93 73.23 37.88 40.38 73.70 37.21 40.16 73.47 2 0 18.49 -999 ? MN MN A 204 >PHE^A 36 32.32 38.18 75.22 30.00 39.41 74.28 31.16 38.79 74.75 3 0 13.98 -999 ? MN MN A 204 >THR^A 37 32.95 33.93 73.22 34.07 32.86 71.71 33.51 33.40 72.47 2 0 12.02 -999 ? MN MN A 204 >ILE^A 38 28.43 32.59 73.80 27.27 33.30 74.21 27.85 32.95 74.01 3 0 9.75 -999 ? MN MN A 204 >LEU^A 39 31.41 27.55 74.18 33.38 28.04 73.42 32.39 27.80 73.80 3 0 12.56 -999 ? MN MN A 204 >ASP^A 40 25.99 26.26 72.04 24.18 25.25 72.41 25.08 25.76 72.22 2 0 9.61 -999 ? MN MN A 204 >VAL.A 41 28.08 22.70 74.38 29.14 21.93 76.10 28.61 22.31 75.24 3 0 14.39 -999 ? MN MN A 204 >ARG.A 42 22.75 23.42 74.17 20.24 24.74 73.01 21.50 24.08 73.59 2 0 11.10 -999 ? MN MN A 204 >ASP~A 43 22.91 17.51 70.63 22.12 17.09 68.74 22.51 17.30 69.69 2 0 15.00 -999 ? MN MN A 204 >ARG~A 44 27.09 20.88 65.00 29.01 22.90 63.79 28.05 21.89 64.39 2 0 9.99 -999 ? MN MN A 204 >SER~A 45 21.15 19.51 65.94 20.66 17.24 66.71 20.90 18.38 66.33 2 0 14.77 -999 ? MN MN A 204 >THR~A 46 20.00 20.94 69.28 19.85 20.20 71.28 19.92 20.57 70.28 2 0 13.57 -999 ? MN MN A 204 >TYR~A 47 24.32 25.16 67.78 25.54 27.46 66.74 24.93 26.31 67.26 3 0 5.68 -999 ? MN MN A 204 >ASN~A 48 20.81 23.24 64.17 22.71 23.33 63.20 21.76 23.28 63.68 2 0 8.52 -999 ? MN MN A 204 >ASP~A 49 16.42 23.06 67.18 16.39 21.27 66.03 16.41 22.17 66.60 2 0 12.85 -999 ? MN MN A 204 >GLY~A 50 17.99 27.06 68.76 18.61 26.55 68.83 18.30 26.81 68.80 1 0 8.40 -999 ? MN MN A 204 >HIS^A 51 22.58 28.93 68.49 22.94 29.66 66.56 22.76 29.29 67.53 3 0 -3.54 -999 ? MN MN A 204s >ILE^A 52 22.86 32.03 73.42 23.05 32.42 74.80 22.95 32.22 74.11 3 0 9.10 -999 ? MN MN A 204 >MET?A 53 22.63 34.70 69.65 21.23 38.46 68.24 21.93 36.58 68.94 2 0 8.15 -999 ? MN MN A 204 >GLY.A 54 26.34 34.61 68.77 26.01 33.92 69.00 26.17 34.27 68.88 1 0 5.28 -999 ? MN MN A 204 >ALA.A 55 27.14 31.27 70.43 26.18 30.42 71.28 26.66 30.85 70.86 2 0 6.59 -999 ? MN MN A 204 >MET?A 56 29.47 28.88 68.67 33.29 30.31 67.65 31.38 29.59 68.16 2 0 9.59 -999 ? MN MN A 204 >ALA.A 57 28.63 25.19 68.38 27.95 24.56 67.17 28.29 24.88 67.78 2 0 8.19 -999 ? MN MN A 204 >MET?A 58 31.16 23.26 70.40 34.66 25.39 70.70 32.91 24.33 70.55 2 0 13.41 -999 ? MN MN A 204 >PRO~A 59 29.66 19.56 68.92 29.74 20.57 70.91 29.70 20.07 69.92 3 0 13.61 -999 ? MN MN A 204 >ILE~A 60 30.24 18.23 75.62 29.85 17.67 76.70 30.04 17.95 76.16 3 0 18.46 -999 ? MN MN A 204 >ASP~A 62 34.98 17.36 69.37 36.88 17.33 68.42 35.93 17.35 68.89 2 0 19.35 -999 ? MN MN A 204 >LEU~A 63 34.29 20.81 74.28 33.92 22.77 75.15 34.11 21.79 74.71 3 0 16.92 -999 ? MN MN A 204 >VAL~A 64 38.69 20.76 74.09 39.98 19.20 74.86 39.34 19.98 74.48 3 0 21.26 -999 ? MN MN A 204 >ASP~A 65 39.76 18.56 69.87 40.70 16.72 70.39 40.23 17.64 70.13 2 0 22.83 -999 ? MN MN A 204 >ALA~A 67 38.38 25.17 71.51 37.92 25.17 72.97 38.15 25.17 72.24 2 0 17.10 -999 ? MN MN A 204 >SER~A 68 42.14 24.82 71.80 42.72 22.49 71.68 42.43 23.66 71.74 2 0 21.69 -999 ? MN MN A 204 >SER~A 69 42.56 24.91 68.03 40.91 23.73 66.72 41.74 24.32 67.38 2 0 18.57 -999 ? MN MN A 204 >SER.A 70 40.35 27.97 67.74 38.10 28.63 67.12 39.22 28.30 67.43 2 0 14.41 -999 ? MN MN A 204 >LEU.A 71 39.24 29.83 71.89 37.27 29.78 71.06 38.26 29.80 71.48 3 0 15.59 -999 ? MN MN A 204 >LYS.A 73 43.51 30.63 76.33 45.87 26.54 74.58 44.69 28.58 75.46 2 0 24.23 -999 ? MN MN A 204 >SER.A 74 43.21 34.18 77.64 44.17 35.67 75.99 43.69 34.92 76.82 2 0 23.19 -999 ? MN MN A 204 >ARG.A 75 38.25 35.52 72.89 36.94 37.21 70.74 37.60 36.37 71.82 2 0 15.12 -999 ? MN MN A 204 >ASP^A 76 36.13 36.68 78.50 37.24 37.90 79.82 36.68 37.29 79.16 2 0 20.72 -999 ? MN MN A 204 >ILE^A 77 35.33 31.02 77.30 35.80 30.01 76.38 35.56 30.51 76.84 3 0 16.41 -999 ? MN MN A 204 >TYR^A 78 30.39 34.13 79.03 31.22 36.58 80.09 30.80 35.35 79.56 3 0 16.37 -999 ? MN MN A 204 >VAL^A 79 29.76 28.12 78.52 31.17 26.44 78.45 30.47 27.28 78.49 3 0 15.39 -999 ? MN MN A 204 >TYR^A 80 24.76 27.77 76.98 23.85 28.14 74.36 24.31 27.96 75.67 3 0 11.14 -999 ? MN MN A 204 >GLY.A 81 24.99 23.07 77.96 24.45 23.59 78.43 24.72 23.33 78.20 1 0 15.40 -999 ? MN MN A 204 >ALA.A 82 21.63 21.33 78.42 21.30 19.92 77.91 21.47 20.62 78.16 2 0 17.48 -999 ? MN MN A 204 >GLY~A 83 21.86 21.43 82.21 22.64 21.54 81.90 22.25 21.49 82.05 1 0 19.97 -999 ? MN MN A 204 >ASP~A 84 23.64 22.44 86.61 22.41 24.18 86.88 23.03 23.31 86.75 2 0 23.03 -999 ? MN MN A 204 >GLU~A 85 26.28 16.38 85.04 25.50 14.59 84.20 25.89 15.49 84.62 2 0 25.54 -999 ? MN MN A 204 >GLN~A 86 26.59 19.01 78.78 25.32 18.70 77.12 25.95 18.86 77.95 2 0 17.60 -999 ? MN MN A 204 >THR~A 87 27.76 22.89 81.74 26.67 24.72 81.86 27.21 23.80 81.80 2 0 18.25 -999 ? MN MN A 204 >SER~A 88 29.99 22.23 84.74 29.47 20.34 86.22 29.73 21.28 85.48 2 0 24.47 -999 ? MN MN A 204 >GLN~A 89 31.79 17.16 81.53 30.66 15.57 80.62 31.23 16.37 81.08 2 0 23.17 -999 ? MN MN A 204 >ALA~A 90 32.36 21.58 79.85 31.32 22.31 79.01 31.84 21.95 79.43 2 0 18.15 -999 ? MN MN A 204 >VAL~A 91 33.78 24.25 82.17 32.97 25.85 83.41 33.38 25.05 82.79 3 0 20.97 -999 ? MN MN A 204 >ASN~A 92 35.66 20.48 84.64 34.70 20.96 86.46 35.18 20.72 85.55 2 0 26.05 -999 ? MN MN A 204 >LEU~A 93 36.42 19.87 79.41 35.78 17.83 79.04 36.10 18.85 79.23 3 0 22.42 -999 ? MN MN A 204 >LEU~A 94 37.34 24.90 78.77 36.24 25.14 76.92 36.79 25.02 77.85 3 0 19.09 -999 ? MN MN A 204 >ARG~A 95 37.84 26.08 85.14 35.69 27.55 86.78 36.77 26.81 85.96 2 0 24.88 -999 ? MN MN A 204 >SER~A 96 41.99 21.48 82.50 40.71 19.69 81.46 41.35 20.59 81.98 2 0 26.11 -999 ? MN MN A 204 >ALA~A 97 43.02 22.31 78.94 42.04 22.30 77.79 42.53 22.31 78.37 2 0 23.80 -999 ? MN MN A 204 >GLY.A 98 44.66 25.54 79.99 43.89 25.59 79.90 44.28 25.56 79.95 1 0 26.06 -999 ? MN MN A 204 >PHE.A 99 40.55 27.44 77.33 40.95 26.86 74.61 40.75 27.15 75.97 3 0 20.33 -999 ? MN MN A 204 >GLU.A 100 44.56 31.06 81.63 46.13 32.45 81.40 45.35 31.75 81.51 2 0 27.39 -999 ? MN MN A 204 >HIS.A 101 40.18 34.84 81.57 41.98 35.91 81.67 41.08 35.37 81.62 3 0 23.97 -999 ? MN MN A 204 >VAL^A 102 35.86 30.38 81.70 36.14 28.62 80.45 36.00 29.50 81.07 3 0 19.99 -999 ? MN MN A 204 >SER^A 103 32.55 30.59 83.49 32.08 32.92 82.83 32.32 31.76 83.16 2 0 19.47 -999 ? MN MN A 204 >GLU^A 104 29.72 27.28 85.34 29.04 25.49 86.28 29.38 26.39 85.81 2 0 22.55 -999 ? MN MN A 204 >LEU.A 105 25.72 30.66 80.66 24.51 32.44 80.68 25.11 31.55 80.67 3 0 15.58 -999 ? MN MN A 204 >GLY~A 107 20.38 28.68 83.85 21.03 28.54 83.42 20.71 28.61 83.64 1 0 19.31 -999 ? MN MN A 204 >GLY~A 108 21.61 28.11 80.32 21.08 28.66 80.57 21.35 28.39 80.45 1 0 15.78 -999 ? MN MN A 204 >LEU~A 109 18.96 27.76 76.31 18.39 28.42 74.34 18.68 28.09 75.32 3 0 12.06 -999 ? MN MN A 204 >ALA~A 110 16.15 28.83 79.47 15.73 27.73 80.44 15.94 28.28 79.95 2 0 17.87 -999 ? MN MN A 204 >ALA~A 111 17.47 31.54 81.78 18.65 31.41 82.74 18.06 31.47 82.26 2 0 18.45 -999 ? MN MN A 204 >TRP~A 112 19.10 33.92 75.33 21.89 36.66 75.80 20.50 35.29 75.57 3 0 11.69 -999 ? MN MN A 204 >LYS~A 113 15.13 33.48 77.15 13.64 28.46 73.69 14.39 30.97 75.42 2 0 13.88 -999 ? MN MN A 204 >ALA~A 114 13.49 34.36 80.46 13.80 33.68 81.78 13.64 34.02 81.12 2 0 19.72 -999 ? MN MN A 204 >ILE~A 115 16.67 37.96 81.18 17.98 37.53 81.57 17.32 37.74 81.37 3 0 18.69 -999 ? MN MN A 204 >GLY.A 116 14.47 38.50 76.91 15.10 38.11 77.06 14.79 38.31 76.99 1 0 16.77 -999 ? MN MN A 204 >GLY.A 117 17.71 37.35 75.29 16.95 37.10 75.11 17.33 37.22 75.20 1 0 13.37 -999 ? MN MN A 204 >PRO.A 118 18.15 38.89 71.33 17.58 36.92 72.17 17.87 37.90 71.75 3 0 11.14 -999 ? MN MN A 204 >THR^A 119 17.59 33.11 70.16 16.87 31.34 71.14 17.23 32.22 70.65 2 0 9.42 -999 ? MN MN A 204 >GLU^A 120 21.29 32.43 66.59 22.93 33.61 65.92 22.11 33.02 66.26 2 0 -2.54 -999 ? MN MN A 204s >GLY^A 121 18.03 28.98 64.79 18.21 29.58 64.26 18.12 29.28 64.53 1 0 6.61 -999 ? MN MN A 204 >ILE^A 122 20.57 26.49 61.60 21.39 26.76 61.74 20.98 26.63 61.67 3 0 6.75 -999 ? MN MN A 204 >ILE.A 123 15.70 26.63 58.74 14.39 27.13 59.14 15.05 26.88 58.94 3 0 11.91 -999 ? MN MN A 204 >VAL~A 137 24.55 21.74 55.37 22.46 21.90 56.09 23.50 21.82 55.73 3 0 13.50 -999 ? MN MN A 204 >SER~A 138 26.49 19.85 58.05 26.54 17.44 57.58 26.51 18.64 57.82 2 0 16.14 -999 ? MN MN A 204 >ARG~A 139 29.67 19.34 51.58 28.44 17.06 49.95 29.05 18.20 50.77 2 0 21.39 -999 ? MN MN A 204 >MET?A 140 29.11 23.69 55.24 25.76 25.71 53.54 27.43 24.70 54.39 2 0 13.05 -999 ? MN MN A 204 >GLN~A 141 27.27 24.33 60.44 25.69 23.50 61.62 26.48 23.91 61.03 2 0 8.88 -999 ? MN MN A 204 >ASN~A 142 32.12 19.71 59.12 33.71 18.70 60.13 32.91 19.20 59.62 2 0 16.76 -999 ? MN MN A 204 >HIS~A 143 34.66 23.48 54.14 35.88 24.67 52.92 35.27 24.07 53.53 3 0 17.71 -999 ? MN MN A 204 >SER.B 20 26.07 35.35 40.26 27.18 34.73 42.31 26.63 35.04 41.28 2 0 23.24 -999 ? MN MN A 204 >ASP~B 21 24.34 30.95 40.05 22.75 29.60 40.13 23.55 30.28 40.09 2 0 25.10 -999 ? MN MN A 204 >ALA~B 22 23.37 30.75 44.47 21.98 30.48 45.00 22.67 30.62 44.74 2 0 20.25 -999 ? MN MN A 204 >HIS~B 23 23.70 26.07 41.80 21.84 25.13 41.54 22.77 25.60 41.67 3 0 24.22 -999 ? MN MN A 204 >VAL~B 24 28.48 29.24 43.32 29.56 30.51 41.93 29.02 29.87 42.63 3 0 23.07 -999 ? MN MN A 204 >LEU~B 25 27.00 31.50 47.39 27.10 32.52 49.30 27.05 32.01 48.35 3 0 17.03 -999 ? MN MN A 204 >LYS~B 26 26.80 27.08 48.04 24.68 22.01 47.50 25.74 24.55 47.77 2 0 20.02 -999 ? MN MN A 204 >SER~B 27 30.09 25.70 46.72 29.48 24.80 44.58 29.78 25.25 45.65 2 0 22.26 -999 ? MN MN A 204 >ARG~B 28 33.66 30.63 46.41 34.76 33.42 47.15 34.21 32.02 46.78 2 0 20.97 -999 ? MN MN A 204 >LEU~B 29 29.27 27.76 52.10 28.54 29.50 53.15 28.90 28.63 52.62 3 0 13.68 -999 ? MN MN A 204 >GLU~B 30 28.56 22.79 50.52 27.41 21.91 48.99 27.98 22.35 49.76 2 0 19.05 -999 ? MN MN A 204 >TRP~B 31 32.01 22.03 47.63 33.43 18.50 48.54 32.72 20.27 48.08 3 0 22.14 -999 ? MN MN A 204 >GLY~B 32 36.04 26.97 49.26 35.93 26.76 49.93 35.99 26.87 49.59 1 0 20.35 -999 ? MN MN A 204 >PRO.B 34 36.80 30.17 55.15 36.64 31.45 53.36 36.72 30.81 54.26 3 0 16.65 -999 ? MN MN A 204 >ALA.B 35 37.47 34.75 51.52 38.47 34.49 50.35 37.97 34.62 50.93 2 0 20.80 -999 ? MN MN A 204 >PHE^B 36 32.66 33.96 50.61 31.74 31.54 51.69 32.20 32.75 51.15 3 0 16.18 -999 ? MN MN A 204 >THR^B 37 31.20 38.12 52.75 31.73 39.79 54.03 31.46 38.96 53.39 2 0 15.79 -999 ? MN MN A 204 >ILE^B 38 26.75 36.50 52.53 26.27 35.21 52.20 26.51 35.85 52.36 3 0 13.68 -999 ? MN MN A 204 >LEU^B 39 25.83 42.29 51.95 27.88 42.84 52.21 26.86 42.57 52.08 3 0 15.79 -999 ? MN MN B 202 >ASP^B 40 20.82 40.12 54.19 18.74 39.90 53.91 19.78 40.01 54.05 2 0 11.80 -999 ? MN MN B 202 >VAL.B 41 20.41 44.32 51.92 20.62 45.55 50.14 20.51 44.94 51.03 3 0 9.76 -999 ? MN MN B 202 >ARG.B 42 16.46 40.36 51.85 15.18 38.11 53.47 15.82 39.23 52.66 2 0 12.50 -999 ? MN MN B 202 >ASP~B 43 13.09 45.47 55.56 12.15 45.48 57.43 12.62 45.47 56.50 2 0 5.64 -999 ? MN MN B 202 >ARG~B 44 18.36 46.17 61.57 21.41 45.95 61.59 19.88 46.06 61.58 2 0 11.24 -999 ? MN MN B 202 >SER~B 45 12.93 42.81 60.27 11.53 44.53 61.26 12.23 43.67 60.77 2 0 8.79 -999 ? MN MN B 202 >THR~B 46 12.88 40.62 57.18 12.20 41.06 55.20 12.54 40.84 56.19 2 0 9.43 -999 ? MN MN B 202 >TYR~B 47 18.94 40.15 58.58 21.37 39.05 59.40 20.16 39.60 58.99 3 0 10.90 -999 ? MN MN A 204 >ASN~B 48 15.11 39.67 62.48 16.44 41.15 63.21 15.78 40.41 62.85 2 0 12.47 -999 ? MN MN A 204 >ASP~B 49 11.61 36.98 59.54 10.18 37.67 60.94 10.90 37.33 60.24 2 0 14.42 -999 ? MN MN B 202 >GLY~B 50 15.27 34.66 57.92 15.42 35.46 57.80 15.35 35.06 57.86 1 0 11.83 -999 ? MN MN A 204 >HIS^B 51 19.92 36.17 58.01 20.56 35.83 59.98 20.24 36.00 59.00 3 0 8.53 -999 ? MN MN A 204 >ILE^B 52 21.84 33.59 52.97 22.17 33.31 51.60 22.01 33.45 52.29 3 0 13.15 -999 ? MN MN A 204 >MET?B 53 23.38 31.61 56.87 24.64 27.81 58.45 24.01 29.71 57.66 2 0 7.64 -999 ? MN MN A 204 >GLY.B 54 26.32 33.84 57.74 25.63 34.19 57.47 25.97 34.02 57.60 1 0 8.05 -999 ? MN MN A 204 >ALA.B 55 24.85 36.90 56.00 23.51 36.93 55.27 24.18 36.92 55.64 2 0 11.26 -999 ? MN MN A 204 >MET?B 56 25.44 40.29 57.56 29.49 41.66 57.45 27.47 40.97 57.51 2 0 13.81 -999 ? MN MN A 204 >ALA.B 57 22.44 42.58 57.88 21.55 42.64 59.10 22.00 42.61 58.49 2 0 11.93 -999 ? MN MN B 202 >MET?B 58 22.97 45.69 55.73 27.14 46.03 54.99 25.06 45.86 55.36 2 0 14.36 -999 ? MN MN B 202 >PRO.B 59 19.15 47.29 56.94 20.31 47.20 55.04 19.73 47.25 55.99 3 0 7.08 -999 ? MN MN B 202 >ILE.B 60 19.34 49.44 50.10 18.55 49.21 49.94 18.94 49.32 50.02 3 0 7.48 -999 ? MN MN B 202 >GLU.B 61 17.34 51.32 53.80 15.27 51.55 54.11 16.30 51.44 53.95 2 0 -2.32 -999 ? MN MN B 202s >ASP~B 62 22.51 51.77 56.59 20.64 52.29 57.37 21.58 52.03 56.98 2 0 7.79 -999 ? MN MN B 202 >LEU~B 63 24.13 49.29 51.58 25.03 47.76 50.36 24.58 48.52 50.97 3 0 11.97 -999 ? MN MN B 202 >VAL~B 64 27.53 51.95 51.63 27.35 53.75 50.38 27.44 52.85 51.01 3 0 14.74 -999 ? MN MN B 202 >ASP~B 65 27.22 54.52 55.79 27.02 56.48 55.11 27.12 55.50 55.45 2 0 14.86 -999 ? MN MN B 202 >ALA~B 67 30.19 48.55 54.29 29.69 48.15 52.92 29.94 48.35 53.60 2 0 16.51 -999 ? MN MN B 202 >SER~B 68 32.91 51.03 53.50 31.91 53.25 53.56 32.41 52.14 53.53 2 0 18.72 -999 ? MN MN B 202 >SER~B 69 33.60 51.32 57.24 31.61 51.56 58.58 32.61 51.44 57.91 2 0 18.54 -999 ? MN MN B 202 >SER.B 70 33.42 47.57 57.75 32.01 45.96 58.93 32.72 46.76 58.34 2 0 17.59 -999 ? MN MN A 204 >LEU.B 71 33.80 45.12 53.77 32.49 43.85 54.94 33.14 44.49 54.35 3 0 19.12 -999 ? MN MN A 204 >LYS.B 73 37.00 47.11 49.20 36.77 52.80 48.18 36.89 49.96 48.69 2 0 24.40 -999 ? MN MN B 202 >SER.B 74 38.95 44.17 47.71 40.88 43.55 49.01 39.92 43.86 48.36 2 0 26.18 -999 ? MN MN A 204 >ARG.B 75 36.34 39.82 52.19 36.51 37.39 54.01 36.42 38.60 53.10 2 0 17.64 -999 ? MN MN A 204 >ASP^B 76 35.01 37.62 47.38 36.49 37.32 45.90 35.75 37.47 46.64 2 0 -23.58 -999 ? MN MN A 204s >ILE^B 77 30.99 41.72 48.56 30.74 42.89 49.30 30.87 42.30 48.93 3 0 20.13 -999 ? MN MN B 202 >TYR^B 78 28.65 36.24 47.03 30.59 34.72 45.71 29.62 35.48 46.37 3 0 19.94 -999 ? MN MN A 204 >VAL^B 79 24.74 40.79 47.70 25.03 42.94 47.75 24.89 41.87 47.73 3 0 16.00 -999 ? MN MN B 202 >TYR^B 80 20.57 38.13 49.51 20.35 37.25 52.18 20.46 37.69 50.84 3 0 15.09 -999 ? MN MN B 202 >GLY.B 81 17.87 42.10 48.38 17.72 41.35 47.98 17.80 41.73 48.18 1 0 11.49 -999 ? MN MN B 202 >ALA.B 82 14.11 41.66 48.05 13.08 42.76 48.22 13.60 42.21 48.13 2 0 10.22 -999 ? MN MN B 202 >GLY~B 83 14.17 41.15 44.29 14.82 41.62 44.53 14.50 41.38 44.41 1 0 14.17 -999 ? MN MN B 202 >ASP~B 84 16.08 41.25 39.79 15.51 39.26 39.50 15.80 40.26 39.65 2 0 19.19 -999 ? MN MN B 202 >GLU~B 85 14.91 47.54 40.41 13.09 48.52 39.89 14.00 48.03 40.15 2 0 15.23 -999 ? MN MN B 202 >GLN~B 86 16.67 46.38 47.17 15.60 45.94 48.94 16.13 46.16 48.05 2 0 7.82 -999 ? MN MN B 202 >THR~B 87 19.82 43.57 44.47 19.97 41.43 44.48 19.89 42.50 44.48 2 0 15.27 -999 ? MN MN B 202 >SER~B 88 21.42 45.16 41.41 19.75 45.76 39.75 20.58 45.46 40.58 2 0 17.13 -999 ? MN MN B 202 >GLN~B 89 19.40 50.50 43.90 17.39 51.20 44.03 18.40 50.85 43.97 2 0 11.68 -999 ? MN MN B 202 >ALA~B 90 22.82 47.46 45.93 22.42 46.32 46.86 22.62 46.89 46.39 2 0 12.77 -999 ? MN MN B 202 >VAL~B 91 25.55 45.97 43.78 25.86 44.24 42.51 25.71 45.10 43.14 3 0 17.85 -999 ? MN MN B 202 >ASN~B 92 24.88 49.79 40.87 24.38 48.49 39.25 24.63 49.14 40.06 2 0 19.26 -999 ? MN MN B 202 >LEU~B 93 25.04 51.34 46.15 23.44 52.78 46.34 24.24 52.06 46.25 3 0 13.98 -999 ? MN MN B 202 >LEU~B 94 28.92 47.83 46.87 28.35 47.08 48.83 28.63 47.45 47.85 3 0 17.02 -999 ? MN MN B 202 >ARG~B 95 29.80 46.80 40.38 28.72 44.17 39.25 29.26 45.49 39.81 2 0 22.79 -999 ? MN MN B 202 >SER~B 96 30.32 53.13 42.62 28.40 54.10 43.79 29.36 53.61 43.20 2 0 19.04 -999 ? MN MN B 202 >ALA~B 97 31.74 53.29 46.15 30.94 52.89 47.37 31.34 53.09 46.76 2 0 19.23 -999 ? MN MN B 202 >GLY.B 98 34.90 51.44 45.13 34.33 50.99 45.29 34.61 51.22 45.21 1 0 23.62 -999 ? MN MN B 202 >PHE.B 99 32.90 47.67 48.28 32.94 48.41 50.98 32.92 48.04 49.63 3 0 20.32 -999 ? MN MN B 202 >GLU.B 100 38.28 47.15 43.63 40.06 47.16 44.77 39.17 47.16 44.20 2 0 28.67 -999 ? MN MN B 202 >HIS.B 101 36.79 41.16 43.44 38.52 41.15 42.26 37.65 41.15 42.85 3 0 27.78 -999 ? MN MN A 204 >VAL^B 102 30.84 42.61 44.35 29.94 44.33 45.31 30.39 43.47 44.83 3 0 20.92 -999 ? MN MN B 202 >SER^B 103 28.50 40.02 42.83 30.41 38.56 43.20 29.45 39.29 43.01 2 0 23.81 -999 ? MN MN B 202 >GLU^B 104 24.37 41.03 40.66 23.06 42.34 39.64 23.72 41.68 40.15 2 0 19.83 -999 ? MN MN B 202 >LEU.B 105 23.16 36.48 45.95 23.56 34.36 45.94 23.36 35.42 45.95 3 0 19.58 -999 ? MN MN A 204 >GLY~B 107 17.23 34.93 43.11 17.70 35.41 43.57 17.46 35.17 43.34 1 0 19.87 -999 ? MN MN B 202 >GLY~B 108 18.14 35.93 46.64 18.00 35.22 46.38 18.07 35.57 46.51 1 0 17.35 -999 ? MN MN B 202 >LEU~B 109 16.04 34.68 50.77 15.80 33.66 52.68 15.92 34.17 51.73 3 0 15.93 -999 ? MN MN A 204 >ALA~B 110 14.35 31.99 47.71 13.20 32.56 46.92 13.78 32.28 47.32 2 0 19.58 -999 ? MN MN B 202 >ALA~B 111 16.88 30.90 45.07 17.70 31.86 44.19 17.29 31.38 44.63 2 0 21.87 -999 ? MN MN B 202 >TRP~B 112 20.02 30.10 51.37 23.78 29.36 50.54 21.90 29.73 50.96 3 0 14.44 -999 ? MN MN A 204 >LYS~B 113 16.52 27.77 49.62 12.57 30.83 53.51 14.54 29.30 51.57 2 0 16.39 -999 ? MN MN A 204 >ALA~B 114 15.30 26.12 46.43 14.96 26.87 45.15 15.13 26.50 45.79 2 0 22.45 -999 ? MN MN A 204 >ILE~B 115 19.82 25.01 45.41 20.60 26.07 44.87 20.21 25.54 45.14 3 0 21.22 -999 ? MN MN A 204 >GLY.B 116 19.20 23.36 49.91 19.33 24.12 49.72 19.27 23.74 49.82 1 0 17.93 -999 ? MN MN A 204 >GLY.B 117 20.69 26.60 51.20 20.04 26.16 51.51 20.36 26.38 51.35 1 0 15.15 -999 ? MN MN A 204 >PRO.B 118 22.76 26.39 55.10 20.70 26.61 54.32 21.73 26.50 54.71 3 0 11.79 -999 ? MN MN A 204 >THR^B 119 18.75 29.69 56.56 16.94 30.62 55.89 17.84 30.15 56.22 2 0 11.73 -999 ? MN MN A 204 >GLU^B 120 21.29 32.32 61.40 22.73 33.91 61.59 22.01 33.12 61.49 2 0 4.49 -999 ? MN MN A 204 >GLY^B 121 16.59 33.33 61.76 17.11 33.04 62.29 16.85 33.18 62.03 1 0 8.44 -999 ? MN MN A 204 >ILE^B 122 16.46 36.96 65.00 17.27 37.19 65.04 16.87 37.07 65.02 3 0 9.14 -999 ? MN MN A 204 >ILE.B 123 13.45 33.24 67.92 12.81 31.97 67.62 13.13 32.60 67.77 3 0 11.36 -999 ? MN MN A 204 >ASP~B 133 12.23 44.70 72.18 12.29 42.60 72.52 12.26 43.65 72.35 2 0 17.82 -999 ? MN MN A 204 >ASN~B 135 17.15 49.13 70.34 16.26 50.81 69.39 16.71 49.97 69.87 2 0 14.67 -999 ? MN MN B 202 >VAL~B 137 18.89 42.69 68.83 16.87 42.07 68.27 17.88 42.38 68.55 3 0 13.00 -999 ? MN MN A 204 >SER~B 138 20.36 45.25 66.40 19.41 47.46 66.83 19.88 46.35 66.62 2 0 13.56 -999 ? MN MN B 202 >ARG~B 139 22.55 48.44 72.37 19.62 49.02 73.12 21.08 48.73 72.75 2 0 19.19 -999 ? MN MN B 202 >MET?B 140 23.87 42.69 69.49 21.44 40.49 72.17 22.65 41.59 70.83 2 0 11.73 -999 ? MN MN A 204 >GLN~B 141 21.83 40.85 65.03 19.89 41.04 64.16 20.86 40.94 64.60 2 0 10.47 -999 ? MN MN A 204 >ASN~B 142 25.98 46.37 65.57 24.85 47.33 64.05 25.42 46.85 64.81 2 0 14.86 -999 ? MN MN B 202 >HIS~B 143 28.66 44.97 70.23 28.88 46.79 71.25 28.77 45.88 70.74 3 0 16.12 -999 ? MN MN A 204 >LEU~B 144 27.60 39.24 66.45 26.99 37.91 68.05 27.30 38.58 67.25 3 0 8.04 -999 ? MN MN A 204 >GLU~B 145 27.05 42.01 62.11 25.93 42.84 60.51 26.49 42.43 61.31 2 0 12.37 -999 ? MN MN A 204 >ASN~B 146 32.20 44.96 65.30 30.82 46.46 64.69 31.51 45.71 64.99 2 0 16.39 -999 ? MN MN A 204 >GLN~B 147 34.02 39.11 67.79 32.85 37.79 68.98 33.43 38.45 68.39 2 0 11.43 -999 ? MN MN A 204 >LYS~B 148 33.78 38.89 62.40 29.99 39.85 60.36 31.89 39.37 61.38 2 0 11.26 -999 ? MN MN A 204 >LYS~B 149 37.17 37.80 61.06 40.93 34.22 60.60 39.05 36.01 60.83 2 0 17.62 -999 ? MN MN A 204 >GLU~B 150 34.65 39.85 56.88 33.74 37.99 57.31 34.20 38.92 57.09 2 0 13.98 -999 ? MN MN A 204 >VAL~B 151 35.64 43.08 59.65 33.70 43.76 60.33 34.67 43.42 59.99 3 0 16.72 -999 ? MN MN A 204 >LEU~B 152 38.80 41.56 62.97 37.96 41.37 64.94 38.38 41.47 63.96 3 0 17.43 -999 ? MN MN A 204 >GLU~B 153 42.02 40.69 57.78 43.95 41.58 57.65 42.99 41.14 57.71 2 0 23.47 -999 ? MN MN A 204 >HIS~B 154 37.80 47.56 56.90 37.51 49.51 56.18 37.65 48.53 56.54 3 0 23.38 -999 ? MN MN A 204 >HIS~B 155 37.92 47.62 62.23 35.95 48.32 62.15 36.93 47.97 62.19 3 0 21.07 -999 ? MN MN A 204 >SER.C 20 22.98 50.57 123.82 23.71 49.20 121.96 23.35 49.89 122.89 2 0 9.82 -999 ? MN MN C 205 >ASP~C 21 26.14 54.05 124.79 26.83 56.06 124.67 26.49 55.06 124.73 2 0 16.73 -999 ? MN MN C 205 >ALA~C 22 26.28 55.29 120.37 25.95 56.74 120.00 26.11 56.02 120.19 2 0 17.68 -999 ? MN MN C 205 >HIS~C 23 30.40 57.31 122.98 30.20 59.38 123.25 30.30 58.34 123.12 3 0 19.78 -999 ? MN MN C 205 >VAL~C 24 29.80 51.49 121.62 29.12 50.01 123.06 29.46 50.75 122.34 3 0 12.47 -999 ? MN MN C 205 >LEU~C 25 26.99 51.42 117.67 26.05 50.59 115.91 26.52 51.01 116.79 3 0 13.62 -999 ? MN MN C 205 >LYS~C 26 30.81 53.49 116.76 34.24 57.96 117.13 32.53 55.72 116.95 2 0 18.24 -999 ? MN MN C 201 >SER~C 27 33.62 51.39 118.25 34.81 52.03 120.26 34.21 51.71 119.26 2 0 16.78 -999 ? MN MN C 205 >ARG~C 28 30.51 46.11 119.01 29.20 43.33 118.86 29.86 44.72 118.94 2 0 8.01 -999 ? MN MN C 205 >LEU~C 29 31.35 50.99 113.00 29.72 50.72 111.60 30.54 50.85 112.30 3 0 11.29 -999 ? MN MN C 201 >GLU~C 30 35.48 53.92 114.15 36.09 55.39 115.54 35.79 54.66 114.84 2 0 16.82 -999 ? MN MN D 203 >TRP~C 31 37.77 51.49 117.33 41.49 52.23 116.28 39.63 51.86 116.80 3 0 19.20 -999 ? MN MN D 203 >GLY~C 32 35.46 45.46 115.89 35.61 45.64 115.20 35.53 45.55 115.55 1 0 15.00 -999 ? MN MN C 205 >GLU.C 33 35.88 40.60 115.88 35.61 38.81 116.99 35.74 39.70 116.44 2 0 13.35 -999 ? MN MN C 205 >PRO.C 34 33.43 40.85 110.26 32.60 42.02 111.97 33.01 41.44 111.12 3 0 15.58 -999 ? MN MN C 205 >ALA.C 35 29.73 40.25 114.13 30.47 39.65 115.32 30.10 39.95 114.72 2 0 10.57 -999 ? MN MN C 205 >PHE^C 36 28.03 44.91 114.61 29.71 46.71 113.29 28.87 45.81 113.95 3 0 12.58 -999 ? MN MN C 205 >THR^C 37 24.21 44.05 111.95 23.16 42.74 110.60 23.69 43.40 111.27 2 0 12.60 -999 ? MN MN C 201 >ILE^C 38 23.65 48.78 111.77 24.42 49.87 112.28 24.03 49.33 112.02 3 0 10.09 -999 ? MN MN C 201 >LEU^C 39 18.15 46.88 111.39 18.66 44.81 111.00 18.40 45.85 111.19 3 0 12.78 -999 ? MN MN C 201 >ASP^C 40 18.46 52.08 108.61 17.66 54.02 108.43 18.06 53.05 108.52 2 0 9.91 -999 ? MN MN C 201 >VAL.C 41 14.16 50.76 110.35 12.87 50.36 112.05 13.51 50.56 111.20 3 0 14.77 -999 ? MN MN C 201 >ARG.C 42 15.86 56.12 110.00 17.76 58.05 108.61 16.81 57.08 109.30 2 0 11.44 -999 ? MN MN C 201 >ASP~C 43 10.76 56.03 105.07 10.58 56.45 103.01 10.67 56.24 104.04 2 0 15.34 -999 ? MN MN C 201 >ARG~C 44 14.03 50.49 100.66 15.31 47.82 99.93 14.67 49.16 100.30 2 0 11.10 -999 ? MN MN C 201 >SER~C 45 13.72 57.03 100.92 11.60 57.26 99.73 12.66 57.15 100.33 2 0 14.87 -999 ? MN MN C 201 >THR~C 46 15.09 58.50 104.14 14.01 59.23 105.86 14.55 58.86 105.00 2 0 13.80 -999 ? MN MN C 201 >TYR~C 47 18.39 53.24 103.98 20.54 51.52 103.52 19.47 52.38 103.75 3 0 5.97 -999 ? MN MN C 201 >ASN~C 48 18.25 56.61 99.63 17.63 54.62 99.19 17.94 55.62 99.41 2 0 8.67 -999 ? MN MN C 201 >ASP~C 49 18.09 61.21 102.39 16.92 61.83 100.72 17.51 61.52 101.55 2 0 12.96 -999 ? MN MN C 201 >GLY~C 50 21.56 59.16 104.79 20.95 58.65 104.80 21.26 58.91 104.80 1 0 8.37 -999 ? MN MN C 201 >HIS^C 51 22.36 54.27 105.12 23.31 53.66 103.35 22.84 53.96 104.23 3 0 -3.60 -999 ? MN MN C 201s >ILE^C 52 24.71 53.98 110.62 24.98 54.00 112.08 24.84 53.99 111.35 3 0 9.19 -999 ? MN MN C 201 >MET?C 53 27.72 52.94 107.29 31.70 54.26 106.71 29.71 53.60 107.00 2 0 7.15 -999 ? MN MN D 203 >GLY.C 54 26.85 49.35 106.41 26.28 49.86 106.62 26.56 49.60 106.52 1 0 5.10 -999 ? MN MN C 201 >ALA.C 55 23.32 49.69 107.79 22.74 51.00 108.31 23.03 50.34 108.05 2 0 6.53 -999 ? MN MN C 201 >MET?C 56 20.64 47.56 106.12 20.95 43.32 106.65 20.80 45.44 106.38 2 0 10.63 -999 ? MN MN C 201 >ALA.C 57 17.38 49.19 105.03 17.22 49.91 103.70 17.30 49.55 104.36 2 0 8.44 -999 ? MN MN C 201 >MET?C 58 14.47 47.44 106.69 15.89 43.70 108.01 15.18 45.57 107.35 2 0 13.77 -999 ? MN MN C 201 >PRO~C 59 11.88 50.41 104.86 11.99 49.36 106.82 11.93 49.88 105.84 3 0 13.95 -999 ? MN MN C 201 >ILE~C 60 8.55 49.71 111.08 8.62 50.57 111.22 8.58 50.14 111.15 3 0 18.95 -999 ? MN MN C 201 >ASP~C 62 8.08 44.38 105.53 6.47 45.23 104.47 7.27 44.81 105.00 2 0 20.11 -999 ? MN MN C 201 >LEU~C 63 11.08 45.49 110.65 12.83 45.52 111.96 11.95 45.51 111.30 3 0 17.31 -999 ? MN MN C 201 >VAL~C 64 10.25 41.23 110.95 8.47 40.36 111.83 9.36 40.79 111.39 3 0 19.32 -999 ? MN MN C 205 >ASP~C 65 8.68 39.93 106.55 6.68 39.62 107.11 7.68 39.78 106.83 2 0 22.86 -999 ? MN MN C 201 >ARG~C 66 14.03 43.88 104.33 11.44 45.53 104.40 12.73 44.71 104.36 2 0 15.42 -999 ? MN MN C 201 >ALA~C 67 14.99 40.21 109.29 14.80 40.93 110.63 14.89 40.57 109.96 2 0 16.18 -999 ? MN MN C 205 >SER~C 68 13.68 36.74 110.11 11.31 36.83 109.53 12.50 36.78 109.82 2 0 19.37 -999 ? MN MN C 205 >SER~C 69 14.48 35.33 106.67 13.67 36.92 105.04 14.08 36.12 105.85 2 0 19.25 -999 ? MN MN C 201 >SER~C 70 17.79 37.17 106.20 19.00 39.21 105.76 18.39 38.19 105.98 2 0 14.69 -999 ? MN MN C 201 >LEU~C 71 19.21 38.51 110.47 20.01 40.09 109.22 19.61 39.30 109.85 3 0 14.65 -999 ? MN MN C 205 >GLU.C 72 21.67 32.57 112.99 21.43 31.07 111.52 21.55 31.82 112.26 2 0 15.16 -999 ? MN MN C 205 >LYS.C 73 18.40 35.19 115.58 13.00 34.12 114.00 15.70 34.66 114.79 2 0 15.79 -999 ? MN MN C 205 >SER.C 74 21.66 34.93 117.53 22.83 33.29 116.14 22.24 34.11 116.83 2 0 9.98 -999 ? MN MN C 205 >ARG.C 75 24.80 38.69 112.81 27.43 39.54 111.58 26.11 39.12 112.19 2 0 12.64 -999 ? MN MN C 205 >ASP^C 76 25.43 41.52 117.77 26.11 40.81 119.63 25.77 41.17 118.70 2 0 4.76 -999 ? MN MN C 205 >ILE^C 77 20.25 42.92 115.60 19.34 42.40 114.60 19.80 42.66 115.10 3 0 10.19 -999 ? MN MN C 205 >TYR^C 78 24.01 47.59 117.36 26.02 46.58 119.02 25.01 47.08 118.19 3 0 9.41 -999 ? MN MN C 205 >VAL^C 79 18.43 49.05 115.50 16.61 47.90 115.37 17.52 48.48 115.43 3 0 13.89 -999 ? MN MN C 205 >TYR^C 80 19.29 53.75 113.34 20.29 54.26 110.78 19.79 54.01 112.06 3 0 11.29 -999 ? MN MN C 201 >GLY.C 81 14.42 54.45 113.61 15.01 54.95 114.00 14.72 54.70 113.80 1 0 15.79 -999 ? MN MN C 201 >ALA.C 82 13.44 58.09 113.15 12.20 58.58 112.41 12.82 58.33 112.78 2 0 17.71 -999 ? MN MN C 201 >GLY~C 83 12.70 58.54 116.85 12.78 57.73 116.65 12.74 58.13 116.75 1 0 20.23 -999 ? MN MN C 201 >GLU~C 85 6.95 55.34 119.51 5.33 56.43 118.72 6.14 55.89 119.11 2 0 25.76 -999 ? MN MN C 205 >GLN~C 86 9.98 53.69 113.88 10.09 54.79 112.07 10.03 54.24 112.97 2 0 18.21 -999 ? MN MN C 201 >THR~C 87 13.20 52.48 117.50 15.13 53.40 117.72 14.17 52.94 117.61 2 0 17.58 -999 ? MN MN C 205 >SER~C 88 12.00 50.69 120.64 10.57 52.27 121.81 11.28 51.48 121.23 2 0 18.69 -999 ? MN MN C 205 >GLN~C 89 6.73 49.74 117.47 5.46 51.11 116.45 6.09 50.42 116.96 2 0 23.15 -999 ? MN MN C 205 >ALA~C 90 11.18 48.03 116.11 12.14 48.85 115.26 11.66 48.44 115.68 2 0 17.39 -999 ? MN MN C 205 >VAL~C 91 13.28 46.35 118.80 14.88 47.01 120.11 14.08 46.68 119.45 3 0 13.06 -999 ? MN MN C 205 >ASN~C 92 9.10 45.64 121.20 9.60 47.07 122.71 9.35 46.35 121.95 2 0 16.38 -999 ? MN MN C 205 >LEU~C 93 8.76 44.33 116.07 6.86 44.97 115.26 7.81 44.65 115.67 3 0 18.93 -999 ? MN MN C 205 >LEU~C 94 13.52 42.47 116.33 14.12 43.07 114.33 13.82 42.77 115.33 3 0 13.71 -999 ? MN MN C 205 >ARG~C 95 14.16 42.74 123.11 15.57 45.21 124.29 14.86 43.98 123.70 2 0 10.27 -999 ? MN MN C 205 >SER~C 96 9.16 39.02 120.43 7.67 40.65 119.42 8.41 39.83 119.92 2 0 17.07 -999 ? MN MN C 205 >ALA~C 97 9.82 37.50 117.00 10.06 38.32 115.75 9.94 37.91 116.38 2 0 16.25 -999 ? MN MN C 205 >GLY.C 98 12.66 35.45 118.48 12.87 36.21 118.38 12.76 35.83 118.43 1 0 13.29 -999 ? MN MN C 205 >PHE.C 99 15.63 38.70 115.78 15.52 38.07 113.06 15.58 38.39 114.42 3 0 12.74 -999 ? MN MN C 205 >GLU.C 100 17.52 34.78 120.90 18.53 32.95 120.74 18.03 33.87 120.82 2 0 9.19 -999 ? MN MN C 205 >HIS.C 101 22.11 38.29 121.34 22.48 36.76 122.73 22.29 37.52 122.04 3 0 -3.26 -999 ? MN MN C 205s >VAL^C 102 18.75 43.25 119.62 17.00 43.24 118.32 17.87 43.24 118.97 3 0 8.71 -999 ? MN MN C 205 >SER^C 103 19.42 46.61 121.17 21.83 46.35 120.98 20.63 46.48 121.07 2 0 7.69 -999 ? MN MN C 205 >GLU^C 104 17.00 50.67 122.25 15.16 51.53 122.88 16.08 51.10 122.57 2 0 14.98 -999 ? MN MN C 205 >LEU.C 105 21.17 53.19 117.73 22.86 54.53 118.00 22.02 53.86 117.86 3 0 15.61 -999 ? MN MN C 205 >GLY~C 107 19.50 58.68 120.64 19.31 58.02 120.15 19.41 58.35 120.40 1 0 19.92 -999 ? MN MN C 205 >GLY~C 108 19.14 57.35 117.11 19.77 57.74 117.43 19.46 57.55 117.27 1 0 16.81 -999 ? MN MN C 201 >LEU~C 109 20.19 59.33 112.83 21.16 59.04 110.93 20.68 59.18 111.88 3 0 12.73 -999 ? MN MN C 201 >ALA~C 110 21.06 62.31 116.02 19.86 63.01 116.67 20.46 62.66 116.35 2 0 18.80 -999 ? MN MN C 201 >ALA~C 111 23.07 60.67 118.82 22.56 59.58 119.75 22.82 60.12 119.28 2 0 19.12 -999 ? MN MN C 201 >TRP~C 112 26.02 58.09 112.86 28.12 55.03 114.14 27.07 56.56 113.50 3 0 12.13 -999 ? MN MN C 201 >LYS~C 113 26.10 62.28 114.48 23.82 64.68 109.14 24.96 63.48 111.81 2 0 14.39 -999 ? MN MN C 201 >ALA~C 114 26.64 63.91 117.87 25.66 63.83 119.03 26.15 63.87 118.45 2 0 20.39 -999 ? MN MN C 201 >ILE.C 115 29.81 60.65 119.30 29.03 59.51 119.87 29.42 60.08 119.58 3 0 19.43 -999 ? MN MN C 201 >GLY.C 116 31.19 62.22 114.90 30.69 61.65 115.07 30.94 61.94 114.99 1 0 17.18 -999 ? MN MN C 201 >GLY.C 117 29.64 59.08 113.43 29.62 59.84 113.10 29.63 59.46 113.27 1 0 13.80 -999 ? MN MN C 201 >PRO.C 118 32.01 58.10 110.00 29.94 58.89 110.31 30.98 58.50 110.15 3 0 11.59 -999 ? MN MN C 201 >THR^C 119 26.76 58.61 107.40 24.80 59.41 107.79 25.78 59.01 107.59 2 0 9.14 -999 ? MN MN C 201 >GLU^C 120 27.97 55.15 104.06 28.12 53.13 103.43 28.04 54.14 103.75 2 0 -3.22 -999 ? MN MN C 201s >GLY^C 121 24.07 58.53 101.22 24.72 58.17 100.85 24.39 58.35 101.04 1 0 6.69 -999 ? MN MN C 201 >ILE^C 122 21.86 56.48 97.47 21.99 55.65 97.47 21.93 56.07 97.47 3 0 7.17 -999 ? MN MN C 201 >ILE.C 123 24.08 60.78 94.67 24.79 61.84 95.26 24.44 61.31 94.97 3 0 11.63 -999 ? MN MN D 203 >VAL~C 137 19.39 51.46 93.25 18.74 53.52 93.62 19.06 52.49 93.43 3 0 10.90 -999 ? MN MN C 201 >SER~C 138 16.85 49.53 95.28 15.01 50.99 95.89 15.93 50.26 95.59 2 0 12.19 -999 ? MN MN C 201 >ARG~C 139 17.53 44.86 89.59 15.08 46.12 88.23 16.31 45.49 88.91 2 0 18.42 -999 ? MN MN C 201 >MET?C 140 21.34 47.00 93.56 24.36 49.46 91.78 22.85 48.23 92.67 2 0 10.85 -999 ? MN MN D 203 >GLN~C 141 20.72 50.17 97.77 19.20 51.66 97.99 19.96 50.91 97.88 2 0 7.51 -999 ? MN MN C 201 >ASN~C 142 17.71 44.26 96.92 16.08 43.84 98.22 16.90 44.05 97.57 2 0 13.01 -999 ? MN MN C 201 >HIS~C 143 22.52 41.51 93.56 23.41 39.83 92.68 22.96 40.67 93.12 3 0 14.86 -999 ? MN MN C 201 >LEU~C 144 24.76 45.25 97.63 25.82 45.85 95.83 25.29 45.55 96.73 3 0 8.62 -999 ? MN MN C 201 >GLU~C 145 21.45 45.26 101.64 19.78 46.05 102.68 20.62 45.66 102.16 2 0 8.14 -999 ? MN MN C 201 >ASN~C 146 21.10 39.10 98.81 19.05 39.49 99.23 20.08 39.29 99.02 2 0 14.37 -999 ? MN MN C 201 >GLN.C 147 25.91 39.62 97.06 26.99 40.72 95.58 26.45 40.17 96.32 2 0 13.33 -999 ? MN MN C 201 >LYS~C 148 26.58 40.31 103.14 25.81 43.86 106.25 26.20 42.09 104.69 2 0 9.07 -999 ? MN MN C 201 >LYS~C 149 28.41 37.77 105.28 33.50 37.25 104.67 30.95 37.51 104.98 2 0 16.62 -999 ? MN MN D 203 >GLU~C 150 24.76 39.88 108.19 26.27 41.35 108.23 25.52 40.61 108.21 2 0 12.24 -999 ? MN MN C 201 >VAL~C 151 23.00 37.06 105.24 21.85 38.51 104.16 22.42 37.79 104.70 3 0 14.73 -999 ? MN MN C 201 >LEU~C 152 26.28 34.56 102.66 26.61 35.36 100.69 26.44 34.96 101.68 3 0 17.15 -999 ? MN MN C 201 >GLU~C 153 27.77 32.86 107.94 28.11 30.76 108.07 27.94 31.81 108.01 2 0 18.44 -999 ? MN MN C 205 >HIS~C 154 19.53 33.34 108.03 17.54 32.93 108.56 18.54 33.14 108.30 3 0 17.68 -999 ? MN MN C 205 >HIS~C 155 19.95 33.19 102.68 18.68 34.84 102.38 19.31 34.01 102.53 3 0 19.00 -999 ? MN MN C 201 >SER.D 20 35.09 47.75 79.95 36.09 46.06 81.35 35.59 46.90 80.65 2 0 20.29 -999 ? MN MN D 203 >ASP~D 21 30.74 48.84 78.35 29.32 50.29 77.76 30.03 49.56 78.05 2 0 22.19 -999 ? MN MN D 203 >ALA~D 22 29.58 50.76 82.33 29.19 52.23 82.47 29.38 51.50 82.40 2 0 17.36 -999 ? MN MN D 203 >HIS~D 23 25.34 49.89 79.24 24.61 51.64 78.35 24.98 50.76 78.79 3 0 21.86 -999 ? MN MN D 203 >VAL~D 24 28.39 45.56 81.93 29.65 44.36 80.62 29.02 44.96 81.28 3 0 20.18 -999 ? MN MN D 203 >LEU~D 25 30.68 47.79 85.62 32.11 47.88 87.24 31.39 47.83 86.43 3 0 14.24 -999 ? MN MN D 203 >LYS~D 26 26.23 47.80 86.20 21.32 49.81 84.84 23.77 48.81 85.52 2 0 17.97 -999 ? MN MN D 203 >SER~D 27 24.92 44.30 85.42 23.70 43.73 83.41 24.31 44.02 84.42 2 0 20.05 -999 ? MN MN D 203 >ARG~D 28 29.80 41.07 86.10 32.67 40.17 86.81 31.23 40.62 86.46 2 0 18.23 -999 ? MN MN D 203 >LEU~D 29 26.63 46.30 90.63 27.95 47.38 91.91 27.29 46.84 91.27 3 0 11.01 -999 ? MN MN D 203 >GLU~D 30 21.81 46.42 88.82 20.45 47.10 87.35 21.13 46.76 88.08 2 0 16.55 -999 ? MN MN C 201 >TRP~D 31 20.99 42.48 86.52 17.40 41.32 87.61 19.20 41.90 87.07 3 0 19.36 -999 ? MN MN C 201 >GLY~D 32 26.04 39.05 89.15 25.76 39.33 89.79 25.90 39.19 89.47 1 0 18.09 -999 ? MN MN D 203 >GLU.D 33 27.90 34.57 91.02 28.75 33.37 89.48 28.32 33.97 90.25 2 0 22.16 -999 ? MN MN D 203 >PRO.D 34 29.66 37.57 95.68 29.84 38.63 93.73 29.75 38.10 94.71 3 0 15.67 -999 ? MN MN D 203 >ALA.D 35 33.41 38.03 92.01 33.24 36.76 91.18 33.32 37.40 91.60 2 0 18.41 -999 ? MN MN D 203 >PHE^D 36 32.86 42.57 90.14 30.40 43.58 91.03 31.63 43.08 90.58 3 0 13.44 -999 ? MN MN D 203 >THR^D 37 36.28 44.41 92.75 37.59 44.01 94.43 36.94 44.21 93.59 2 0 12.33 -999 ? MN MN D 203 >ILE^D 38 34.67 48.79 91.61 33.54 49.24 90.87 34.11 49.01 91.24 3 0 9.87 -999 ? MN MN D 203 >LEU^D 39 40.30 49.90 92.32 40.79 47.85 92.82 40.55 48.88 92.57 3 0 12.68 -999 ? MN MN D 203 >ASP^D 40 37.31 54.81 93.71 36.97 56.85 93.25 37.14 55.83 93.48 2 0 9.72 -999 ? MN MN D 203 >VAL.D 41 41.81 55.44 92.10 43.38 55.11 90.64 42.60 55.28 91.37 3 0 14.58 -999 ? MN MN D 203 >ARG.D 42 37.73 59.05 90.98 34.97 59.98 91.94 36.35 59.52 91.46 2 0 11.30 -999 ? MN MN D 203 >ASP~D 43 41.70 62.87 95.44 43.41 63.78 96.21 42.55 63.32 95.82 2 0 16.95 -999 ? MN MN D 203 >ARG~D 44 41.27 57.89 101.44 41.32 54.93 102.18 41.29 56.41 101.81 2 0 10.89 -999 ? MN MN D 203 >SER~D 45 38.17 63.37 99.24 39.56 65.04 98.18 38.86 64.21 98.71 2 0 15.00 -999 ? MN MN D 203 >THR~D 46 36.64 62.89 95.79 37.42 63.40 93.86 37.03 63.15 94.83 2 0 13.69 -999 ? MN MN D 203 >TYR~D 47 36.19 57.03 97.79 35.07 54.62 98.68 35.63 55.82 98.23 3 0 5.77 -999 ? MN MN D 203 >ASN~D 48 34.45 61.20 100.86 35.62 59.95 102.10 35.03 60.57 101.48 2 0 8.81 -999 ? MN MN D 203 >ASP~D 49 32.20 64.13 96.88 33.16 65.44 98.22 32.68 64.79 97.55 2 0 12.84 -999 ? MN MN D 203 >GLY~D 50 30.60 60.10 95.22 31.40 59.96 95.38 31.00 60.03 95.30 1 0 8.50 -999 ? MN MN D 203 >HIS^D 51 32.37 55.71 96.46 31.70 55.21 98.39 32.03 55.46 97.42 3 0 -3.63 -999 ? MN MN D 203s >ILE^D 52 31.13 52.65 91.46 31.17 52.11 90.14 31.15 52.38 90.80 3 0 8.95 -999 ? MN MN D 203 >MET?D 53 28.74 51.27 95.18 24.55 50.86 95.67 26.65 51.07 95.43 2 0 6.86 -999 ? MN MN C 201 >GLY.D 54 31.08 48.78 96.85 31.35 49.48 96.55 31.21 49.13 96.70 1 0 5.03 -999 ? MN MN D 203 >ALA.D 55 34.12 50.45 95.29 34.10 51.68 94.39 34.11 51.07 94.84 2 0 6.35 -999 ? MN MN D 203 >MET?D 56 37.30 50.55 97.37 38.90 46.63 98.08 38.10 48.59 97.72 2 0 10.30 -999 ? MN MN D 203 >ALA.D 57 39.22 53.79 97.88 38.90 54.79 98.98 39.06 54.29 98.43 2 0 8.26 -999 ? MN MN D 203 >MET?D 58 42.79 53.40 96.58 43.32 49.26 96.10 43.06 51.33 96.34 2 0 13.45 -999 ? MN MN D 203 >PRO~D 59 43.63 57.60 97.46 44.08 56.17 95.81 43.85 56.88 96.64 3 0 13.91 -999 ? MN MN D 203 >ILE~D 60 47.23 56.79 91.40 47.08 57.65 90.93 47.15 57.22 91.16 3 0 18.88 -999 ? MN MN D 203 >ASP~D 62 49.10 54.40 98.51 50.10 56.08 99.31 49.60 55.24 98.91 2 0 19.47 -999 ? MN MN D 203 >LEU~D 63 47.20 52.32 93.30 45.80 51.29 92.03 46.50 51.81 92.67 3 0 17.17 -999 ? MN MN D 203 >VAL~D 64 49.97 49.13 94.20 51.98 49.31 93.43 50.97 49.22 93.82 3 0 21.25 -999 ? MN MN D 203 >ASP~D 65 51.47 49.70 98.83 53.38 50.37 98.30 52.43 50.04 98.56 2 0 22.67 -999 ? MN MN D 203 >ARG~D 66 45.06 49.41 100.83 43.12 48.13 102.84 44.09 48.77 101.83 2 0 13.49 -999 ? MN MN D 203 >ALA~D 67 46.11 46.51 96.26 46.05 46.87 94.78 46.08 46.69 95.52 2 0 17.04 -999 ? MN MN D 203 >SER~D 68 48.77 43.80 96.39 50.73 45.20 96.44 49.75 44.50 96.42 2 0 21.53 -999 ? MN MN D 203 >SER~D 69 48.39 43.63 100.18 48.22 45.89 101.05 48.30 44.76 100.61 2 0 18.73 -999 ? MN MN D 203 >SER.D 70 44.62 43.53 99.86 42.55 44.77 99.64 43.58 44.15 99.75 2 0 14.21 -999 ? MN MN D 203 >LEU.D 71 42.91 42.33 95.61 41.49 43.81 96.28 42.20 43.07 95.94 3 0 15.45 -999 ? MN MN D 203 >GLU.D 72 43.63 35.66 95.12 45.08 35.33 96.62 44.35 35.49 95.87 2 0 22.80 -999 ? MN MN D 203 >LYS.D 73 46.12 38.64 91.85 51.17 41.44 92.82 48.64 40.04 92.34 2 0 24.29 -999 ? MN MN D 203 >SER.D 74 43.50 36.75 89.78 42.93 34.78 91.11 43.22 35.77 90.44 2 0 23.40 -999 ? MN MN D 203 >ARG.D 75 38.47 39.47 93.41 35.70 39.01 94.55 37.08 39.24 93.98 2 0 15.58 -999 ? MN MN D 203 >ASP^D 76 37.20 40.16 87.77 37.12 38.31 86.75 37.16 39.23 87.26 2 0 20.50 -999 ? MN MN D 203 >ILE^D 77 40.65 44.55 89.37 41.56 44.90 90.37 41.11 44.73 89.87 3 0 16.38 -999 ? MN MN D 203 >TYR^D 78 35.46 46.18 86.59 34.42 44.02 85.17 34.94 45.10 85.88 3 0 16.40 -999 ? MN MN D 203 >VAL^D 79 39.46 50.55 87.81 41.60 50.54 88.22 40.53 50.54 88.01 3 0 15.35 -999 ? MN MN D 203 >TYR^D 80 36.18 54.40 88.64 34.87 54.77 91.09 35.53 54.59 89.86 3 0 11.04 -999 ? MN MN D 203 >GLY.D 81 40.12 57.40 87.92 39.45 57.46 87.41 39.79 57.43 87.66 1 0 15.66 -999 ? MN MN D 203 >ALA.D 82 39.49 61.10 87.32 40.33 62.23 87.90 39.91 61.67 87.61 2 0 17.78 -999 ? MN MN D 203 >GLY~D 83 40.38 60.88 83.64 40.57 60.17 84.08 40.48 60.53 83.86 1 0 20.32 -999 ? MN MN D 203 >GLU~D 85 46.98 60.34 81.62 47.81 62.25 82.01 47.39 61.30 81.82 2 0 26.22 -999 ? MN MN D 203 >GLN~D 86 44.62 58.90 87.79 43.65 60.10 89.27 44.13 59.50 88.53 2 0 18.00 -999 ? MN MN D 203 >THR~D 87 42.66 55.24 84.76 40.56 54.96 84.41 41.61 55.10 84.58 2 0 18.23 -999 ? MN MN D 203 >SER~D 88 45.05 53.64 82.23 45.92 55.33 80.73 45.48 54.49 81.48 2 0 24.35 -999 ? MN MN D 203 >GLN~D 89 49.56 56.31 85.62 49.86 58.35 86.17 49.71 57.33 85.89 2 0 23.94 -999 ? MN MN D 203 >ALA~D 90 46.56 52.90 87.39 45.28 53.29 88.12 45.92 53.10 87.75 2 0 18.49 -999 ? MN MN D 203 >VAL~D 91 45.66 49.88 85.26 44.10 49.36 83.84 44.88 49.62 84.55 3 0 20.90 -999 ? MN MN D 203 >ASN~D 92 49.93 50.70 83.05 49.14 50.96 81.08 49.54 50.83 82.07 2 0 26.16 -999 ? MN MN D 203 >LEU~D 93 50.17 51.24 88.38 51.44 52.76 89.23 50.81 52.00 88.81 3 0 22.73 -999 ? MN MN D 203 >LEU~D 94 47.01 47.08 88.78 45.95 47.94 90.45 46.48 47.51 89.61 3 0 19.35 -999 ? MN MN D 203 >ARG~D 95 47.54 45.49 82.33 45.40 46.32 80.33 46.47 45.90 81.33 2 0 25.11 -999 ? MN MN D 203 >SER~D 96 53.18 45.36 85.97 53.78 47.49 86.99 53.48 46.43 86.48 2 0 26.75 -999 ? MN MN D 203 >ALA~D 97 52.57 44.85 89.68 51.59 45.66 90.51 52.08 45.26 90.09 2 0 23.78 -999 ? MN MN D 203 >GLY.D 98 51.43 41.40 88.61 50.86 41.93 88.59 51.15 41.67 88.60 1 0 26.03 -999 ? MN MN D 203 >PHE.D 99 46.70 43.08 90.56 46.63 43.17 93.35 46.66 43.12 91.96 3 0 20.12 -999 ? MN MN D 203 >GLU.D 100 47.19 37.32 86.86 46.65 35.33 87.39 46.92 36.33 87.12 2 0 26.63 -999 ? MN MN D 203 >HIS.D 101 42.12 38.33 85.18 42.94 36.40 85.06 42.53 37.37 85.12 3 0 24.30 -999 ? MN MN D 203 >VAL^D 102 42.37 44.53 85.41 43.67 45.75 86.62 43.02 45.14 86.02 3 0 19.89 -999 ? MN MN D 203 >SER^D 103 39.89 46.37 83.21 38.71 44.27 82.95 39.30 45.32 83.08 2 0 20.43 -999 ? MN MN D 203 >GLU^D 104 41.47 51.39 81.98 42.32 52.30 80.27 41.90 51.84 81.12 2 0 22.58 -999 ? MN MN D 203 >LEU.D 105 35.32 51.83 84.53 33.22 52.24 84.85 34.27 52.03 84.69 3 0 15.44 -999 ? MN MN D 203 >LYS.D 106 35.33 53.61 80.05 32.47 52.54 77.31 33.90 53.08 78.68 2 0 22.49 -999 ? MN MN D 203 >GLY~D 107 34.24 57.13 80.89 34.59 56.65 81.43 34.41 56.89 81.16 1 0 19.60 -999 ? MN MN D 203 >GLY~D 108 34.94 56.65 84.58 34.26 56.67 84.19 34.60 56.66 84.39 1 0 16.12 -999 ? MN MN D 203 >LEU~D 109 32.67 58.69 88.31 31.34 58.45 90.01 32.00 58.57 89.16 3 0 12.05 -999 ? MN MN D 203 >ALA~D 110 30.72 60.28 84.62 31.47 61.29 83.76 31.10 60.78 84.19 2 0 18.05 -999 ? MN MN D 203 >ALA~D 111 29.88 57.48 82.18 30.91 56.65 81.43 30.40 57.06 81.80 2 0 18.69 -999 ? MN MN D 203 >TRP~D 112 28.04 54.96 88.44 27.78 51.04 88.10 27.91 53.00 88.27 3 0 11.84 -999 ? MN MN D 203 >LYS~D 113 26.20 58.10 86.09 27.42 62.28 90.23 26.81 60.19 88.16 2 0 13.80 -999 ? MN MN D 203 >ALA~D 114 25.18 58.85 82.49 26.15 59.04 81.33 25.66 58.94 81.91 2 0 19.97 -999 ? MN MN D 203 >ILE~D 115 24.35 54.13 81.83 25.59 53.39 81.67 24.97 53.76 81.75 3 0 18.95 -999 ? MN MN D 203 >GLY.D 116 21.91 55.83 85.61 22.65 55.51 85.56 22.28 55.67 85.59 1 0 16.99 -999 ? MN MN D 203 >GLY.D 117 24.60 54.31 87.75 24.14 55.00 87.93 24.37 54.66 87.84 1 0 13.60 -999 ? MN MN D 203 >PRO.D 118 23.64 52.37 91.54 23.92 54.42 90.80 23.78 53.40 91.17 3 0 11.14 -999 ? MN MN D 203 >THR^D 119 26.50 56.57 93.37 27.75 58.21 92.69 27.12 57.39 93.03 2 0 9.37 -999 ? MN MN D 203 >GLU^D 120 27.47 54.96 99.12 27.84 52.96 99.68 27.66 53.96 99.40 2 0 3.05 -999 ? MN MN D 203s >GLY^D 121 28.91 59.23 99.24 28.37 58.85 99.70 28.64 59.04 99.47 1 0 6.66 -999 ? MN MN D 203 >ILE^D 122 31.21 59.82 103.43 31.36 59.00 103.59 31.29 59.41 103.51 3 0 7.54 -999 ? MN MN D 203 >ILE.D 123 27.24 63.50 104.70 26.12 63.57 103.95 26.68 63.54 104.32 3 0 11.73 -999 ? MN MN C 201 >VAL~D 137 35.59 57.97 108.65 35.32 59.87 107.54 35.46 58.92 108.09 3 0 11.27 -999 ? MN MN D 203 >SER~D 138 38.88 56.95 107.08 39.99 58.91 106.23 39.43 57.93 106.65 2 0 12.69 -999 ? MN MN D 203 >ARG~D 139 40.05 53.94 113.68 41.64 56.44 114.53 40.84 55.19 114.11 2 0 18.62 -999 ? MN MN D 203 >MET?D 140 35.88 53.09 109.37 32.28 54.65 110.99 34.08 53.87 110.18 2 0 11.40 -999 ? MN MN C 201 >GLN~D 141 35.43 55.22 104.75 35.51 56.69 103.20 35.47 55.96 103.97 2 0 6.91 -999 ? MN MN D 203 >ASN~D 142 40.87 51.47 106.34 41.85 52.90 105.11 41.36 52.19 105.73 2 0 12.20 -999 ? MN MN D 203 >HIS~D 143 37.66 48.06 110.89 37.74 46.51 112.30 37.70 47.28 111.59 3 0 14.78 -999 ? MN MN D 203 >LEU~D 144 34.02 48.71 106.17 32.99 48.91 108.07 33.51 48.81 107.12 3 0 8.84 -999 ? MN MN D 203 >GLU~D 145 37.52 49.35 101.74 38.84 50.81 100.90 38.18 50.08 101.32 2 0 8.30 -999 ? MN MN D 203 >ASN~D 146 40.27 45.09 106.38 41.85 46.41 105.83 41.06 45.75 106.10 2 0 14.12 -999 ? MN MN D 203 >GLN.D 147 35.56 43.85 108.38 34.13 44.73 109.71 34.85 44.29 109.05 2 0 13.30 -999 ? MN MN D 203 >LYS~D 148 35.24 42.49 102.36 34.18 45.76 97.91 34.71 44.13 100.14 2 0 8.06 -999 ? MN MN D 203 >LYS~D 149 34.80 38.91 101.14 30.83 36.29 99.69 32.82 37.60 100.41 2 0 16.61 -999 ? MN MN D 203 >GLU~D 150 37.44 41.49 97.51 35.42 42.08 97.36 36.43 41.79 97.43 2 0 11.96 -999 ? MN MN D 203 >VAL~D 151 40.00 40.89 101.10 40.43 42.96 101.67 40.21 41.93 101.38 3 0 14.49 -999 ? MN MN D 203 >LEU~D 152 38.09 37.76 104.35 37.21 38.71 106.08 37.65 38.23 105.21 3 0 17.05 -999 ? MN MN D 203 >GLU~D 153 37.95 35.22 99.69 37.12 35.17 97.74 37.54 35.19 98.71 2 0 18.89 -999 ? MN MN D 203 >HIS~D 154 45.15 38.79 99.34 47.17 39.33 99.11 46.16 39.06 99.22 3 0 20.61 -999 ? MN MN D 203 >HIS~D 155 44.53 39.41 104.57 44.81 41.43 104.08 44.67 40.42 104.33 3 0 19.15 -999 ? MN MN D 203