REMARK SOURCE hebe.pdb HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 18-MAY-05 1ZQ7 COMPND HYPOTHETICAL PROTEIN MM0484; COMPND 3 CHAIN: A, B, C, D; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: METHANOSARCINA MAZEI; SOURCE 3 ORGANISM_TAXID: 2209; SOURCE 4 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 5 EXPRESSION_SYSTEM_TAXID: 562 AUTHOR A.P.KUZIN,M.ABASHIDZE,S.M.VOROBIEV,W.YONG,R.XIAO,L.-C.MA, AUTHOR 2 T.ACTON,G.T.MONTELIONE,L.TONG,J.HUNT,NORTHEAST STRUCTURAL AUTHOR 3 GENOMICS CONSORTIUM (NESG) HET MSE A 1 8 HET MSE A 96 8 HET MSE A 151 8 HET MSE A 162 8 HET MSE B 1 8 HET MSE B 96 8 HET MSE B 151 8 HET MSE B 162 8 HET MSE C 1 8 HET MSE C 96 8 HET MSE C 151 8 HET MSE C 162 8 HET MSE D 1 8 HET MSE D 96 8 HET MSE D 151 8 HET MSE D 162 8 >MET?A 1 106.47 34.81 30.64 104.45 32.17 29.71 105.46 33.49 30.17 2 0 1000.00 -999 ? >LEU.A 2 108.49 34.61 35.02 107.03 35.73 36.12 107.76 35.17 35.57 3 0 1000.00 -999 ? >THR~A 3 112.38 33.23 33.22 113.85 34.80 33.23 113.11 34.02 33.22 2 0 1000.00 -999 ? >GLU~A 4 113.81 28.47 33.88 114.83 26.64 33.60 114.32 27.55 33.74 2 0 1000.00 -999 ? >THR~A 5 115.39 32.71 37.58 117.27 33.72 37.27 116.33 33.22 37.43 2 0 1000.00 -999 ? >GLU~A 6 112.76 36.93 36.17 112.11 37.69 34.31 112.44 37.31 35.24 2 0 1000.00 -999 ? >GLY~A 7 110.14 32.15 38.62 110.83 32.41 39.05 110.48 32.28 38.84 1 0 1000.00 -999 ? >ARG~A 8 115.80 29.69 42.49 117.18 30.27 45.18 116.49 29.98 43.83 2 0 1000.00 -999 ? >ALA~A 9 112.40 34.84 42.78 112.93 36.02 41.98 112.67 35.43 42.38 2 0 1000.00 -999 ? >ALA~A 10 108.60 34.86 42.72 107.75 34.54 41.49 108.17 34.70 42.10 2 0 1000.00 -999 ? >VAL~A 11 108.24 31.89 45.07 108.97 30.08 44.10 108.60 30.99 44.58 3 0 1000.00 -999 ? >LYS~A 12 110.97 33.17 47.39 113.15 28.48 47.15 112.06 30.82 47.27 2 0 1000.00 -999 ? >LEU~A 13 108.90 37.41 46.28 108.45 39.52 46.33 108.67 38.46 46.30 3 0 1000.00 -999 ? >ALA~A 14 105.98 34.76 48.39 105.28 33.74 47.51 105.63 34.25 47.95 2 0 1000.00 -999 ? >ARG~A 15 110.12 29.69 51.67 109.17 27.45 53.52 109.64 28.57 52.60 2 0 1000.00 -999 ? >LYS~A 16 109.55 35.46 52.65 114.79 34.84 53.28 112.17 35.15 52.97 2 0 1000.00 -999 ? >THR~A 17 106.59 37.83 52.65 105.51 38.95 51.14 106.05 38.39 51.89 2 0 1000.00 -999 ? >ILE~A 18 104.17 33.88 54.15 103.15 32.96 53.76 103.66 33.42 53.96 3 0 1000.00 -999 ? >GLU~A 19 108.64 32.42 56.02 110.51 31.59 55.46 109.57 32.00 55.74 2 0 1000.00 -999 ? >ILE~A 20 108.56 39.07 56.76 109.48 40.12 56.30 109.02 39.60 56.53 3 0 1000.00 -999 ? >PHE~A 21 102.03 39.45 57.58 99.55 40.49 58.42 100.79 39.97 58.00 3 0 1000.00 -999 ? >LEU~A 22 104.11 34.47 59.88 102.38 33.27 59.29 103.25 33.87 59.59 3 0 1000.00 -999 ? >SER~A 23 106.82 37.21 62.49 109.18 37.56 62.93 108.00 37.39 62.71 2 0 1000.00 -999 ? >LYS~A 24 106.32 40.92 63.22 109.56 45.35 61.57 107.94 43.13 62.39 2 0 1000.00 -999 ? >GLY~A 25 102.77 40.98 61.94 103.35 41.36 61.66 103.06 41.17 61.80 1 0 1000.00 -999 ? >LYS.A 26 103.37 43.24 59.07 106.06 48.38 59.51 104.71 45.81 59.29 2 0 1000.00 -999 ? >SER.A 27 104.88 44.04 55.76 102.67 43.18 55.61 103.77 43.61 55.68 2 0 1000.00 -999 ? >PRO.A 28 108.58 43.67 54.15 107.17 45.39 54.13 107.88 44.53 54.14 3 0 1000.00 -999 ? >ARG.A 29 106.95 46.19 49.43 104.72 47.40 47.78 105.84 46.79 48.61 2 0 1000.00 -999 ? >SER.A 33 112.64 41.77 51.46 111.15 43.23 50.22 111.89 42.50 50.84 2 0 1000.00 -999 ? >GLY.A 34 116.07 40.56 50.35 115.46 40.48 49.86 115.77 40.52 50.11 1 0 1000.00 -999 ? >VAL.A 35 115.06 39.01 47.02 113.52 37.46 46.94 114.29 38.24 46.98 3 0 1000.00 -999 ? >GLU.A 36 119.08 39.65 43.78 119.81 41.65 43.72 119.45 40.65 43.75 2 0 1000.00 -999 ? >LEU.A 37 112.40 41.91 42.29 111.15 40.90 43.75 111.77 41.40 43.02 3 0 1000.00 -999 ? >SER~A 38 113.93 41.92 37.83 112.81 40.29 36.41 113.37 41.11 37.12 2 0 1000.00 -999 ? >PRO~A 39 113.18 44.24 34.21 112.25 44.01 36.21 112.71 44.12 35.21 3 0 1000.00 -999 ? >VAL~A 40 109.16 41.71 35.26 108.98 39.53 35.36 109.07 40.62 35.31 3 0 1000.00 -999 ? >PHE~A 41 109.05 40.56 40.25 109.79 37.87 40.45 109.42 39.22 40.35 3 0 1000.00 -999 ? >GLU~A 42 108.90 47.00 38.45 108.17 47.70 40.30 108.54 47.35 39.38 2 0 1000.00 -999 ? >GLU~A 43 106.11 43.59 33.31 106.35 42.21 31.73 106.23 42.90 32.52 2 0 1000.00 -999 ? >TYR.A 44 99.95 46.66 36.05 100.33 49.03 37.50 100.14 47.85 36.77 3 0 1000.00 -999 ? >ARG.A 45 103.27 39.84 34.88 104.53 37.89 32.86 103.90 38.87 33.87 2 0 1000.00 -999 ? >GLY.A 46 97.43 38.28 37.72 98.22 38.15 37.51 97.83 38.22 37.61 1 0 1000.00 -999 ? >VAL^A 47 98.85 35.83 40.23 100.83 36.72 40.63 99.84 36.28 40.43 3 0 1000.00 -999 ? >PHE^A 48 95.80 32.45 41.52 93.41 33.22 40.27 94.61 32.83 40.90 3 0 1000.00 -999 ? >VAL^A 49 99.86 31.91 45.73 101.18 33.19 46.87 100.52 32.55 46.30 3 0 1000.00 -999 ? >THR^A 50 99.32 28.37 46.93 98.25 27.00 45.65 98.79 27.69 46.29 2 0 1000.00 -999 ? >LEU^A 51 100.16 27.33 51.42 101.10 29.22 51.93 100.63 28.28 51.67 3 0 1000.00 -999 ? >THR^A 52 100.34 22.80 50.51 101.05 22.21 48.55 100.69 22.51 49.53 2 0 1000.00 -999 ? >GLU^A 53 101.56 21.02 56.09 101.13 22.26 57.74 101.35 21.64 56.92 2 0 1000.00 -999 ? >GLY.A 54 101.55 17.00 53.70 101.31 17.47 53.05 101.43 17.23 53.37 1 0 1000.00 -999 ? >GLY.A 55 100.32 16.83 50.12 99.95 17.26 50.70 100.13 17.05 50.41 1 0 1000.00 -999 ? >LEU^A 56 96.41 18.30 52.25 95.44 16.41 52.63 95.92 17.35 52.44 3 0 1000.00 -999 ? >LEU^A 57 94.65 22.63 49.50 94.28 24.53 48.52 94.47 23.58 49.01 3 0 1000.00 -999 ? >ARG^A 58 97.88 24.28 56.08 96.73 26.40 57.96 97.31 25.34 57.02 2 0 1000.00 -999 ? >GLY^A 59 95.74 27.90 51.56 96.15 27.46 50.97 95.95 27.68 51.26 1 0 1000.00 -999 ? >CYH^A 60 95.46 29.74 48.23 95.29 29.38 45.42 95.37 29.56 46.83 2 0 1000.00 -999 ? >ILE^A 61 94.54 34.30 48.47 93.12 34.60 48.78 93.83 34.45 48.62 3 0 1000.00 -999 ? >GLY^A 62 95.01 35.25 44.10 94.28 35.46 44.36 94.65 35.36 44.23 1 0 1000.00 -999 ? >HIS^A 63 94.92 39.82 43.40 95.32 40.52 45.34 95.12 40.17 44.37 3 0 1000.00 -999 ? >PRO.A 64 91.22 35.90 39.43 93.07 37.04 38.97 92.14 36.47 39.20 3 0 1000.00 -999 ? >TYR.A 65 90.53 40.91 36.34 88.04 40.30 35.22 89.29 40.61 35.78 3 0 1000.00 -999 ? >PRO.A 66 95.52 42.60 33.95 95.56 41.96 36.08 95.54 42.28 35.02 3 0 1000.00 -999 ? >ASP.A 67 93.92 45.01 39.56 92.19 43.96 38.90 93.06 44.48 39.23 2 0 1000.00 -999 ? >SER.A 68 98.39 45.37 40.23 97.07 45.13 42.29 97.73 45.25 41.26 2 0 1000.00 -999 ? >THR~A 69 102.09 44.96 39.50 103.15 46.57 40.49 102.62 45.76 39.99 2 0 1000.00 -999 ? >LEU~A 70 104.27 40.65 39.03 104.68 38.54 38.90 104.48 39.60 38.96 3 0 1000.00 -999 ? >LYS~A 71 105.31 42.34 43.01 108.39 47.30 43.58 106.85 44.82 43.29 2 0 1000.00 -999 ? >GLU~A 72 102.50 46.36 44.46 103.65 46.54 46.16 103.08 46.45 45.31 2 0 1000.00 -999 ? >ALA~A 73 100.00 41.02 43.78 99.67 40.64 42.35 99.83 40.83 43.06 2 0 1000.00 -999 ? >ILE~A 74 103.93 38.25 44.67 105.01 37.49 44.13 104.47 37.87 44.40 3 0 1000.00 -999 ? >LEU~A 75 103.37 41.47 48.89 105.38 42.21 48.60 104.38 41.84 48.74 3 0 1000.00 -999 ? >ASP~A 76 98.25 41.41 48.15 96.27 41.50 48.88 97.26 41.46 48.51 2 0 1000.00 -999 ? >SER~A 77 98.18 37.07 47.68 97.77 37.31 45.28 97.97 37.19 46.48 2 0 1000.00 -999 ? >ALA~A 78 100.85 35.31 49.75 102.35 35.57 49.67 101.60 35.44 49.71 2 0 1000.00 -999 ? >ILE~A 79 99.92 38.36 53.51 100.21 39.77 53.26 100.07 39.07 53.38 3 0 1000.00 -999 ? >SER~A 80 96.12 36.21 52.34 95.33 38.23 51.25 95.72 37.22 51.79 2 0 1000.00 -999 ? >ALA~A 81 96.82 32.59 51.38 97.84 32.16 50.33 97.33 32.38 50.85 2 0 1000.00 -999 ? >ALA~A 82 98.27 32.07 54.85 99.73 32.43 55.12 99.00 32.25 54.98 2 0 1000.00 -999 ? >THR~A 83 95.92 34.18 56.95 97.38 35.69 57.39 96.65 34.93 57.17 2 0 1000.00 -999 ? >ARG~A 84 93.64 38.80 54.37 91.59 38.97 52.07 92.61 38.89 53.22 2 0 1000.00 -999 ? >ASP.A 85 92.56 30.67 52.87 91.60 29.41 51.46 92.08 30.04 52.16 2 0 1000.00 -999 ? >PRO.A 86 87.29 31.79 53.41 88.88 31.21 54.87 88.09 31.50 54.14 3 0 1000.00 -999 ? >ARG.A 87 88.41 26.87 50.45 90.71 26.95 48.43 89.56 26.91 49.44 2 0 1000.00 -999 ? >PHE.A 88 92.81 25.78 54.63 92.57 24.35 52.25 92.69 25.07 53.44 3 0 1000.00 -999 ? >PRO.A 89 93.59 25.83 60.47 92.63 27.58 59.47 93.11 26.70 59.97 3 0 1000.00 -999 ? >THR.A 90 95.58 30.61 60.01 95.74 32.66 60.67 95.66 31.64 60.34 2 0 1000.00 -999 ? >VAL.A 91 99.08 29.23 59.47 99.70 29.68 57.41 99.39 29.46 58.44 3 0 1000.00 -999 ? >GLU~A 92 100.04 28.19 64.25 99.37 29.95 65.21 99.70 29.07 64.73 2 0 1000.00 -999 ? >GLN~A 93 105.14 32.58 63.58 106.35 33.88 64.76 105.75 33.23 64.17 2 0 1000.00 -999 ? >ASP~A 94 106.02 26.16 64.25 103.94 25.98 64.67 104.98 26.07 64.46 2 0 1000.00 -999 ? >GLU~A 95 101.83 25.38 60.93 99.79 25.47 60.35 100.81 25.43 60.64 2 0 1000.00 -999 ? >MET?A 96 106.18 27.23 57.20 104.45 29.44 55.35 105.31 28.34 56.27 2 0 1000.00 -999 ? >LYS~A 97 109.11 24.84 57.55 109.26 21.22 61.64 109.18 23.03 59.59 2 0 1000.00 -999 ? >ASN~A 98 105.99 21.30 57.67 107.41 20.56 59.07 106.70 20.93 58.37 2 0 1000.00 -999 ? >ILE~A 99 104.03 25.28 54.27 102.83 26.08 54.50 103.43 25.68 54.39 3 0 1000.00 -999 ? >LEU^A 100 105.10 22.78 49.21 106.36 21.27 50.09 105.73 22.03 49.65 3 0 1000.00 -999 ? >VAL^A 101 105.00 27.33 48.26 105.61 29.30 49.02 105.30 28.32 48.64 3 0 1000.00 -999 ? >GLU^A 102 102.72 25.13 44.63 101.18 23.88 43.91 101.95 24.50 44.27 2 0 1000.00 -999 ? >VAL^A 103 103.02 30.70 42.65 104.11 32.52 43.16 103.57 31.61 42.90 3 0 1000.00 -999 ? >THR^A 104 100.89 30.87 39.52 99.21 29.58 39.11 100.05 30.23 39.31 2 0 1000.00 -999 ? >ILE^A 105 103.34 34.32 37.22 103.99 34.30 37.80 103.66 34.31 37.51 3 0 1000.00 -999 ? >LEU^A 106 98.13 35.37 34.77 96.57 34.08 35.55 97.35 34.72 35.16 3 0 1000.00 -999 ? >THR.A 107 100.88 36.80 31.47 100.89 35.39 29.80 100.88 36.09 30.63 2 0 1000.00 -999 ? >GLN.A 108 101.69 41.96 31.14 102.69 43.75 30.52 102.19 42.85 30.83 2 0 1000.00 -999 ? >PRO.A 109 95.49 40.25 30.86 96.96 40.13 29.19 96.23 40.19 30.03 3 0 1000.00 -999 ? >GLU^A 110 97.90 38.34 24.17 99.61 37.36 23.42 98.76 37.85 23.79 2 0 1000.00 -999 ? >LYS^A 111 94.17 41.74 22.67 90.20 44.72 21.26 92.19 43.23 21.96 2 0 1000.00 -999 ? >ILE.A 112 92.23 38.09 20.09 92.01 36.63 20.18 92.12 37.36 20.14 3 0 1000.00 -999 ? >ASN.A 113 94.44 42.27 16.47 95.26 43.29 18.15 94.85 42.78 17.31 2 0 1000.00 -999 ? >ALA.A 114 90.88 39.53 14.52 91.06 38.03 14.74 90.97 38.78 14.63 2 0 1000.00 -999 ? >SER.A 115 87.34 39.74 13.19 87.13 38.35 11.22 87.23 39.05 12.21 2 0 1000.00 -999 ? >PRO.A 116 83.44 39.87 15.20 84.99 38.35 14.70 84.21 39.11 14.95 3 0 1000.00 -999 ? >LYS.A 117 84.73 35.24 12.29 80.55 36.27 11.33 82.64 35.76 11.81 2 0 1000.00 -999 ? >GLU~A 118 89.76 35.37 11.14 91.02 36.91 10.42 90.39 36.14 10.78 2 0 1000.00 -999 ? >LEU~A 119 87.24 35.41 17.81 87.60 37.35 18.69 87.42 36.38 18.25 3 0 1000.00 -999 ? >PRO~A 120 85.15 31.51 16.78 87.32 31.66 17.24 86.24 31.59 17.01 3 0 1000.00 -999 ? >ASP~A 121 90.61 30.56 13.94 89.11 29.76 12.67 89.86 30.16 13.30 2 0 1000.00 -999 ? >LYS~A 122 92.62 32.34 17.60 94.61 34.60 13.01 93.61 33.47 15.31 2 0 1000.00 -999 ? >VAL~A 123 91.53 30.94 20.96 89.86 31.48 22.23 90.69 31.21 21.60 3 0 1000.00 -999 ? >GLU.A 124 95.69 28.45 20.61 97.80 28.59 20.66 96.74 28.52 20.64 2 0 1000.00 -999 ? >ILE.A 125 90.67 24.59 23.99 89.53 25.13 24.68 90.10 24.86 24.33 3 0 1000.00 -999 ? >GLY.A 126 94.06 24.42 27.16 94.09 25.22 26.96 94.07 24.82 27.06 1 0 1000.00 -999 ? >LYS.A 127 96.53 27.28 26.89 100.15 28.32 22.33 98.34 27.80 24.61 2 0 1000.00 -999 ? >HIS.A 128 94.96 31.41 24.54 96.31 31.99 23.03 95.64 31.70 23.78 3 0 1000.00 -999 ? >GLY^A 129 92.39 32.06 29.52 92.61 32.47 28.68 92.50 32.27 29.10 1 0 1000.00 -999 ? >LEU^A 130 88.98 34.36 27.39 89.28 33.40 25.48 89.13 33.88 26.43 3 0 1000.00 -999 ? >ILE^A 131 90.06 39.31 29.82 90.68 40.13 30.87 90.37 39.72 30.35 3 0 1000.00 -999 ? >VAL^A 132 86.05 39.84 27.47 84.29 38.94 26.52 85.17 39.39 27.00 3 0 1000.00 -999 ? >LYS^A 133 85.82 43.63 27.67 87.70 48.74 28.02 86.76 46.18 27.84 2 0 1000.00 -999 ? >GLN^A 134 81.11 45.80 24.84 79.36 44.74 24.26 80.23 45.27 24.55 2 0 1000.00 -999 ? >GLY.A 135 83.25 49.40 28.02 83.67 48.72 28.31 83.46 49.06 28.17 1 0 1000.00 -999 ? >TYR.A 136 83.09 51.64 32.20 83.66 54.21 31.26 83.38 52.93 31.73 3 0 1000.00 -999 ? >CYH^A 137 82.26 45.55 31.73 79.48 45.96 31.69 80.87 45.75 31.71 2 0 1000.00 -999 ? >GLN^A 138 87.00 44.18 31.58 88.96 44.69 32.19 87.98 44.43 31.89 2 0 1000.00 -999 ? >GLY^A 139 84.75 39.11 32.64 85.46 39.32 32.17 85.11 39.21 32.40 1 0 1000.00 -999 ? >LEU^A 140 88.70 36.92 33.17 90.20 36.29 34.61 89.45 36.60 33.89 3 0 1000.00 -999 ? >LEU^A 141 86.72 31.86 31.86 84.57 31.78 32.12 85.65 31.82 31.99 3 0 1000.00 -999 ? >LEU.A 142 91.12 30.29 35.15 91.63 31.56 36.83 91.38 30.93 35.99 3 0 1000.00 -999 ? >PRO.A 143 94.45 30.08 31.59 92.46 29.07 31.75 93.46 29.57 31.67 3 0 1000.00 -999 ? >GLN~A 144 91.38 25.65 35.49 92.53 27.25 36.27 91.96 26.45 35.88 2 0 1000.00 -999 ? >VAL~A 145 87.98 26.10 32.53 86.69 27.74 33.10 87.33 26.92 32.82 3 0 1000.00 -999 ? >ALA~A 146 87.63 25.18 28.84 88.19 25.98 27.65 87.91 25.58 28.25 2 0 1000.00 -999 ? >PRO~A 147 91.40 23.15 29.68 89.44 22.61 28.77 90.42 22.88 29.22 3 0 1000.00 -999 ? >GLU~A 148 90.00 20.79 33.91 90.54 21.73 35.75 90.27 21.26 34.83 2 0 1000.00 -999 ? >ASN~A 149 83.96 22.36 31.78 84.52 22.48 33.84 84.24 22.42 32.81 2 0 1000.00 -999 ? >ASP.A 150 83.87 18.87 27.40 83.88 17.89 25.52 83.87 18.38 26.46 2 0 1000.00 -999 ? >MET?A 151 84.41 23.57 25.87 83.72 26.60 28.82 84.07 25.08 27.35 2 0 1000.00 -999 ? >ASP~A 152 84.97 23.91 21.06 82.98 24.58 20.83 83.98 24.24 20.95 2 0 1000.00 -999 ? >SER~A 153 86.59 27.94 21.30 88.66 27.79 20.05 87.62 27.86 20.68 2 0 1000.00 -999 ? >ILE~A 154 82.05 28.43 19.58 81.29 28.35 18.48 81.67 28.39 19.03 3 0 1000.00 -999 ? >ASP~A 155 81.93 26.45 24.55 80.91 24.99 23.44 81.42 25.72 24.00 2 0 1000.00 -999 ? >PHE~A 156 87.01 29.48 26.79 88.63 29.86 29.06 87.82 29.67 27.93 3 0 1000.00 -999 ? >LEU~A 157 84.17 33.15 22.55 85.86 33.55 21.26 85.01 33.35 21.90 3 0 1000.00 -999 ? >SER~A 158 80.37 32.78 24.81 79.33 31.93 22.78 79.85 32.35 23.79 2 0 1000.00 -999 ? >HIS~A 159 80.40 29.32 29.06 79.05 27.72 28.89 79.72 28.52 28.98 3 0 1000.00 -999 ? >THR~A 160 83.37 34.50 29.03 85.52 34.64 28.74 84.45 34.57 28.88 2 0 1000.00 -999 ? >CYH~A 161 80.95 37.05 27.56 81.35 37.40 24.80 81.15 37.23 26.18 2 0 1000.00 -999 ? >MET?A 162 78.28 36.01 30.04 74.97 33.40 30.69 76.62 34.70 30.36 2 0 1000.00 -999 ? >LYS~A 163 80.83 36.07 32.85 83.22 35.86 37.25 82.03 35.97 35.05 2 0 1000.00 -999 ? >ALA~A 164 81.35 39.74 31.99 82.01 40.28 30.71 81.68 40.01 31.35 2 0 1000.00 -999 ? >GLY.A 165 77.60 40.10 32.46 77.96 40.05 31.71 77.78 40.08 32.08 1 0 1000.00 -999 ? >LEU.A 166 78.37 40.86 27.82 79.51 42.70 27.90 78.94 41.78 27.86 3 0 1000.00 -999 ? >SER~A 167 75.14 38.69 26.04 73.80 38.41 24.04 74.47 38.55 25.04 2 0 1000.00 -999 ? >PRO~A 168 74.85 34.37 26.14 76.25 35.88 25.29 75.55 35.12 25.71 3 0 1000.00 -999 ? >ASP~A 169 75.69 36.64 20.50 74.40 38.30 20.82 75.05 37.47 20.66 2 0 1000.00 -999 ? >ALA~A 170 78.73 39.81 22.45 79.04 40.25 23.89 78.89 40.03 23.17 2 0 1000.00 -999 ? >TRP~A 171 81.23 35.26 21.99 82.12 33.57 18.56 81.67 34.41 20.28 3 0 1000.00 -999 ? >VAL~A 172 80.17 37.93 17.72 78.89 36.31 17.02 79.53 37.12 17.37 3 0 1000.00 -999 ? >LYS.A 173 79.12 41.57 17.80 74.69 43.44 16.96 76.91 42.51 17.38 2 0 1000.00 -999 ? >GLY.A 174 82.65 42.90 18.26 82.36 42.63 18.88 82.50 42.77 18.57 1 0 1000.00 -999 ? >ALA.A 175 83.25 42.91 22.02 82.52 42.10 23.08 82.89 42.50 22.55 2 0 1000.00 -999 ? >GLU^A 176 87.62 45.52 22.75 88.65 46.99 23.84 88.14 46.25 23.29 2 0 1000.00 -999 ? >VAL^A 177 88.64 39.73 23.58 87.74 37.87 22.92 88.19 38.80 23.25 3 0 1000.00 -999 ? >TYR^A 178 92.09 41.82 26.18 91.75 44.53 25.57 91.92 43.17 25.88 3 0 1000.00 -999 ? >CYH^A 179 93.88 36.16 25.94 95.50 35.79 23.67 94.69 35.97 24.80 2 0 1000.00 -999 ? >PHE^A 180 95.00 35.55 30.70 92.89 34.56 32.26 93.95 35.05 31.48 3 0 1000.00 -999 ? >GLU.A 181 99.05 31.80 27.33 100.64 31.66 25.96 99.85 31.73 26.65 2 0 1000.00 -999 ? >GLY^A 182 99.97 31.23 32.99 100.25 30.73 32.37 100.11 30.98 32.68 1 0 1000.00 -999 ? >GLN^A 183 104.46 31.25 34.18 106.17 31.91 33.08 105.31 31.58 33.63 2 0 1000.00 -999 ? >ILE^A 184 102.43 26.37 38.14 101.22 25.85 38.79 101.83 26.11 38.47 3 0 1000.00 -999 ? >PHE^A 185 107.87 29.31 38.45 108.79 29.96 35.88 108.33 29.64 37.17 3 0 1000.00 -999 ? >LYS^A 186 106.53 25.45 42.91 102.64 21.25 41.20 104.59 23.35 42.05 2 0 1000.00 -999 ? >GLU^A 187 109.42 26.20 47.33 109.32 26.85 49.33 109.37 26.53 48.33 2 0 1000.00 -999 ? >LYS.A 188 109.91 20.67 45.51 110.67 16.11 42.80 110.29 18.39 44.15 2 0 1000.00 -999 ? >GLU.A 189 112.67 19.12 49.35 114.51 18.52 50.21 113.59 18.82 49.78 2 0 1000.00 -999 ? >PRO.A 190 109.33 22.12 52.96 110.47 23.16 51.37 109.90 22.64 52.16 3 0 1000.00 -999 ? >ASP.A 191 113.20 27.12 52.32 114.61 28.68 52.24 113.90 27.90 52.28 2 0 1000.00 -999 ? >GLY.A 192 114.39 24.32 48.53 113.84 24.80 48.20 114.11 24.56 48.37 1 0 1000.00 -999 ? >GLU.A 193 114.64 21.94 42.79 115.23 19.99 42.20 114.93 20.96 42.49 2 0 1000.00 -999 ? >VAL^A 194 111.86 25.25 42.52 111.24 27.31 42.84 111.55 26.28 42.68 3 0 1000.00 -999 ? >ILE^A 195 109.96 21.92 39.65 109.80 20.68 40.41 109.88 21.30 40.03 3 0 1000.00 -999 ? >GLU^A 196 107.31 26.09 34.95 108.12 26.93 33.20 107.71 26.51 34.08 2 0 1000.00 -999 ? >GLU^A 197 102.12 21.92 36.64 102.61 20.02 35.84 102.37 20.97 36.24 2 0 1000.00 -999 ? >LYS.A 198 103.55 23.34 32.51 108.20 24.20 30.26 105.88 23.77 31.39 2 0 1000.00 -999 ? >PHE.A 199 100.38 20.02 31.44 101.72 18.84 29.28 101.05 19.43 30.36 3 0 1000.00 -999 ? >LEU.A 200 97.07 25.84 33.98 98.38 27.57 34.08 97.73 26.71 34.03 3 0 1000.00 -999 ? >GLU.A 201 94.43 21.12 31.18 96.38 21.71 30.60 95.40 21.41 30.89 2 0 1000.00 -999 ? >HIS.A 202 93.02 19.30 37.62 92.81 20.51 39.32 92.92 19.90 38.47 3 0 1000.00 -999 ? >HIS.A 203 90.43 16.51 33.65 88.82 17.40 34.66 89.63 16.96 34.16 3 0 1000.00 -999 ? >HIS.A 204 92.79 19.33 26.86 92.25 20.57 25.26 92.52 19.95 26.06 3 0 1000.00 -999 ? >MET?B 1 47.62 57.28 29.31 47.74 53.98 28.55 47.68 55.63 28.93 2 0 1000.00 -999 ? >LEU.B 2 46.40 60.22 25.69 48.38 60.81 25.05 47.39 60.52 25.37 3 0 1000.00 -999 ? >THR~B 3 42.26 60.81 27.26 42.13 62.74 28.22 42.20 61.78 27.74 2 0 1000.00 -999 ? >GLU~B 4 38.08 59.21 24.76 36.14 58.72 24.10 37.11 58.97 24.43 2 0 1000.00 -999 ? >THR~B 5 40.54 64.40 23.72 39.57 66.01 24.78 40.06 65.21 24.25 2 0 1000.00 -999 ? >GLU~B 6 44.96 64.85 26.39 45.50 64.22 28.33 45.23 64.54 27.36 2 0 1000.00 -999 ? >GLY~B 7 44.35 61.24 21.63 44.03 62.02 21.50 44.19 61.63 21.56 1 0 1000.00 -999 ? >ARG~B 8 39.09 65.24 18.41 39.36 67.93 16.93 39.23 66.59 17.67 2 0 1000.00 -999 ? >ALA~B 9 44.81 66.17 19.45 45.08 66.94 20.74 44.95 66.56 20.09 2 0 1000.00 -999 ? >ALA~B 10 47.68 63.75 18.86 47.90 62.42 19.59 47.79 63.09 19.23 2 0 1000.00 -999 ? >VAL~B 11 46.47 62.65 15.42 44.69 61.40 15.61 45.58 62.03 15.51 3 0 1000.00 -999 ? >LYS~B 12 45.35 66.15 14.46 40.29 65.84 12.47 42.82 66.00 13.46 2 0 1000.00 -999 ? >LEU~B 13 49.50 67.28 16.74 51.14 68.56 17.32 50.32 67.92 17.03 3 0 1000.00 -999 ? >ALA~B 14 50.53 64.76 13.23 50.37 63.26 13.44 50.45 64.01 13.33 2 0 1000.00 -999 ? >ARG~B 15 44.99 64.35 8.83 44.58 64.68 5.81 44.79 64.51 7.32 2 0 1000.00 -999 ? >LYS~B 16 48.68 69.25 10.65 45.31 73.22 11.92 46.99 71.23 11.29 2 0 1000.00 -999 ? >THR~B 17 52.46 69.05 10.88 53.86 68.54 12.42 53.16 68.80 11.65 2 0 1000.00 -999 ? >ILE~B 18 52.05 65.58 7.47 52.12 64.19 7.22 52.09 64.89 7.34 3 0 1000.00 -999 ? >GLU~B 19 47.95 68.12 5.92 45.91 68.36 6.47 46.93 68.24 6.20 2 0 1000.00 -999 ? >ILE~B 20 52.39 72.73 8.40 52.31 73.74 9.44 52.35 73.24 8.92 3 0 1000.00 -999 ? >PHE~B 21 57.57 69.25 6.30 60.19 68.82 5.42 58.88 69.03 5.86 3 0 1000.00 -999 ? >LEU~B 22 53.20 68.54 2.29 53.31 66.51 3.03 53.26 67.53 2.66 3 0 1000.00 -999 ? >SER~B 23 53.24 73.13 1.77 50.87 73.07 2.29 52.05 73.10 2.03 2 0 1000.00 -999 ? >LYS~B 24 56.04 75.40 2.98 56.01 78.49 8.08 56.02 76.95 5.53 2 0 1000.00 -999 ? >GLY~B 25 58.78 72.76 3.16 58.49 73.23 3.75 58.64 73.00 3.46 1 0 1000.00 -999 ? >LYS.B 26 59.26 73.72 6.81 61.33 79.30 9.31 60.29 76.51 8.06 2 0 1000.00 -999 ? >SER.B 27 57.92 72.29 10.07 59.87 72.06 11.47 58.89 72.18 10.77 2 0 1000.00 -999 ? >PRO.B 28 54.23 72.48 12.43 55.81 73.88 11.72 55.02 73.18 12.08 3 0 1000.00 -999 ? >ARG.B 29 56.64 79.98 15.45 54.53 81.65 16.90 55.58 80.81 16.17 2 0 1000.00 -999 ? >PRO.B 30 58.06 73.15 18.17 56.05 73.85 17.56 57.06 73.50 17.86 3 0 1000.00 -999 ? >ASP.B 31 53.55 76.30 21.10 54.37 75.04 22.58 53.96 75.67 21.84 2 0 1000.00 -999 ? >ALA.B 32 51.65 77.09 16.69 52.42 78.33 16.26 52.04 77.71 16.48 2 0 1000.00 -999 ? >SER.B 33 50.28 74.17 14.67 49.82 72.41 16.25 50.05 73.29 15.46 2 0 1000.00 -999 ? >GLY.B 34 46.65 75.00 15.32 47.00 74.33 15.70 46.83 74.66 15.51 1 0 1000.00 -999 ? >VAL.B 35 45.87 72.23 17.80 46.18 70.17 17.09 46.03 71.20 17.44 3 0 1000.00 -999 ? >GLU.B 36 43.14 74.23 21.60 44.22 76.03 21.97 43.68 75.13 21.78 2 0 1000.00 -999 ? >LEU.B 37 49.15 70.56 22.85 49.67 69.95 20.86 49.41 70.26 21.86 3 0 1000.00 -999 ? >SER~B 38 47.26 69.80 27.09 46.88 67.42 27.39 47.07 68.61 27.24 2 0 1000.00 -999 ? >PRO~B 39 48.84 69.67 31.21 49.63 69.63 29.12 49.24 69.65 30.16 3 0 1000.00 -999 ? >VAL~B 40 50.63 65.81 28.63 49.47 64.16 27.80 50.05 64.98 28.22 3 0 1000.00 -999 ? >PHE~B 41 50.60 66.95 23.55 48.50 65.56 22.33 49.55 66.25 22.94 3 0 1000.00 -999 ? >GLU~B 42 54.36 70.47 27.91 55.51 71.31 26.35 54.94 70.89 27.13 2 0 1000.00 -999 ? >GLU~B 43 53.83 64.31 30.31 52.64 62.85 31.27 53.24 63.58 30.79 2 0 1000.00 -999 ? >TYR.B 44 60.95 63.86 28.06 62.25 66.29 27.63 61.60 65.07 27.84 3 0 1000.00 -999 ? >ARG.B 45 54.05 60.68 27.33 51.47 59.31 28.26 52.76 59.99 27.80 2 0 1000.00 -999 ? >GLY.B 46 57.82 57.51 22.76 57.09 57.71 23.07 57.46 57.61 22.92 1 0 1000.00 -999 ? >VAL^B 47 55.47 57.61 19.79 54.82 59.64 20.25 55.15 58.62 20.02 3 0 1000.00 -999 ? >PHE^B 48 56.13 54.14 16.64 58.43 52.86 17.62 57.28 53.50 17.13 3 0 1000.00 -999 ? >VAL^B 49 53.11 58.05 13.40 52.95 60.19 13.05 53.03 59.12 13.23 3 0 1000.00 -999 ? >THR^B 50 51.57 55.74 10.83 51.26 53.62 11.21 51.42 54.68 11.02 2 0 1000.00 -999 ? >LEU^B 51 50.91 57.68 6.57 51.42 59.73 7.04 51.17 58.70 6.81 3 0 1000.00 -999 ? >THR^B 52 47.80 54.43 5.48 46.63 53.60 7.11 47.21 54.02 6.30 2 0 1000.00 -999 ? >GLU^B 53 46.74 56.39 -0.04 48.15 57.72 -0.90 47.44 57.06 -0.47 2 0 1000.00 -999 ? >GLY.B 54 43.72 52.68 0.40 44.06 52.58 1.17 43.89 52.63 0.79 1 0 1000.00 -999 ? >GLY.B 55 44.06 50.43 3.41 44.72 50.69 3.02 44.39 50.56 3.22 1 0 1000.00 -999 ? >LEU^B 56 48.26 49.67 1.35 47.67 48.07 0.00 47.97 48.87 0.68 3 0 1000.00 -999 ? >LEU^B 57 51.87 50.24 5.38 53.26 50.78 6.94 52.56 50.51 6.16 3 0 1000.00 -999 ? >ARG^B 58 51.58 56.15 0.78 53.95 57.85 -0.14 52.77 57.00 0.32 2 0 1000.00 -999 ? >GLY^B 59 54.70 55.31 5.86 54.05 54.99 6.29 54.37 55.15 6.07 1 0 1000.00 -999 ? >CYH^B 60 55.69 54.95 9.51 55.12 53.40 11.78 55.40 54.17 10.65 2 0 1000.00 -999 ? >ILE^B 61 59.17 57.61 11.11 60.54 57.16 10.80 59.85 57.39 10.96 3 0 1000.00 -999 ? >GLY^B 62 58.72 56.77 15.46 59.46 56.64 15.25 59.09 56.71 15.35 1 0 1000.00 -999 ? >HIS^B 63 61.10 59.76 18.70 61.93 61.46 17.80 61.52 60.61 18.25 3 0 1000.00 -999 ? >PRO.B 64 61.85 53.12 18.88 60.84 54.55 20.26 61.35 53.83 19.57 3 0 1000.00 -999 ? >TYR.B 65 64.62 54.43 23.96 65.99 51.98 24.17 65.31 53.20 24.07 3 0 1000.00 -999 ? >PRO.B 66 61.56 57.49 27.62 61.41 58.06 25.48 61.48 57.77 26.55 3 0 1000.00 -999 ? >ASP.B 67 64.96 60.29 23.17 63.88 60.25 21.34 64.42 60.27 22.25 2 0 1000.00 -999 ? >SER.B 68 61.82 63.64 23.44 62.99 63.65 21.29 62.40 63.64 22.36 2 0 1000.00 -999 ? >THR~B 69 58.69 65.35 24.67 59.03 67.47 24.69 58.86 66.41 24.68 2 0 1000.00 -999 ? >LEU~B 70 54.18 63.73 23.89 52.61 62.39 23.23 53.40 63.06 23.56 3 0 1000.00 -999 ? >LYS~B 71 55.09 67.19 21.21 55.09 72.58 23.48 55.09 69.88 22.35 2 0 1000.00 -999 ? >GLU~B 72 60.03 68.59 21.12 59.90 70.24 19.80 59.96 69.42 20.46 2 0 1000.00 -999 ? >ALA~B 73 58.44 63.40 18.85 58.31 62.32 19.91 58.37 62.86 19.38 2 0 1000.00 -999 ? >ILE~B 74 53.77 64.22 17.65 52.33 64.07 17.92 53.05 64.15 17.78 3 0 1000.00 -999 ? >LEU~B 75 56.96 67.85 15.48 55.82 69.55 16.14 56.39 68.70 15.81 3 0 1000.00 -999 ? >ASP~B 76 60.69 64.49 14.97 62.26 63.36 14.10 61.48 63.92 14.54 2 0 1000.00 -999 ? >SER~B 77 57.90 61.31 13.50 58.09 60.29 15.70 57.99 60.80 14.60 2 0 1000.00 -999 ? >ALA~B 78 55.02 62.65 11.44 54.01 63.70 11.93 54.52 63.17 11.68 2 0 1000.00 -999 ? >ILE~B 79 58.16 65.81 9.28 58.85 66.74 10.02 58.50 66.27 9.65 3 0 1000.00 -999 ? >SER~B 80 59.59 61.54 8.90 61.42 61.77 10.47 60.50 61.65 9.68 2 0 1000.00 -999 ? >ALA~B 81 56.67 59.20 8.21 55.43 59.06 9.09 56.05 59.13 8.65 2 0 1000.00 -999 ? >ALA~B 82 55.67 61.21 5.14 54.74 62.42 5.25 55.20 61.81 5.20 2 0 1000.00 -999 ? >THR~B 83 59.10 62.06 3.79 59.13 64.07 4.56 59.12 63.06 4.18 2 0 1000.00 -999 ? >ARG~B 84 63.77 62.14 7.74 65.85 60.83 9.61 64.81 61.49 8.67 2 0 1000.00 -999 ? >ASP.B 85 58.98 55.84 5.33 58.74 53.84 5.99 58.86 54.84 5.66 2 0 1000.00 -999 ? >PRO.B 86 63.88 53.70 4.51 62.49 54.85 3.20 63.19 54.28 3.86 3 0 1000.00 -999 ? >ARG.B 87 59.58 49.83 5.14 57.57 50.44 7.38 58.58 50.13 6.26 2 0 1000.00 -999 ? >PHE.B 88 56.10 53.63 1.86 55.13 51.46 3.33 55.62 52.55 2.60 3 0 1000.00 -999 ? >PRO.B 89 56.20 56.70 -3.18 57.91 56.88 -1.76 57.05 56.79 -2.47 3 0 1000.00 -999 ? >THR.B 90 57.60 60.87 -0.34 58.90 62.56 0.01 58.25 61.71 -0.16 2 0 1000.00 -999 ? >VAL.B 91 53.94 61.78 0.07 53.38 61.68 2.17 53.66 61.73 1.12 3 0 1000.00 -999 ? >GLU~B 92 53.08 63.71 -4.47 54.97 64.62 -4.74 54.03 64.17 -4.60 2 0 1000.00 -999 ? >GLN~B 93 51.55 69.70 -0.65 51.52 71.70 -1.35 51.54 70.70 -1.00 2 0 1000.00 -999 ? >ASP~B 94 46.90 66.48 -3.95 48.41 65.63 -5.16 47.65 66.05 -4.55 2 0 1000.00 -999 ? >GLU~B 95 49.66 61.75 -2.52 51.36 60.49 -2.36 50.51 61.12 -2.44 2 0 1000.00 -999 ? >MET?B 96 46.96 63.68 2.46 49.39 63.07 4.66 48.18 63.37 3.56 2 0 1000.00 -999 ? >LYS~B 97 43.24 64.12 1.71 42.20 63.82 -3.68 42.72 63.97 -0.98 2 0 1000.00 -999 ? >ASN.B 98 43.54 59.98 -0.48 42.23 61.00 -1.81 42.88 60.49 -1.15 2 0 1000.00 -999 ? >ILE^B 99 47.14 59.91 3.71 48.61 59.67 3.64 47.87 59.79 3.67 3 0 1000.00 -999 ? >LEU^B 100 43.94 56.79 7.30 41.85 56.54 6.78 42.90 56.67 7.04 3 0 1000.00 -999 ? >VAL^B 101 46.81 59.08 10.14 47.70 61.06 10.47 47.25 60.07 10.30 3 0 1000.00 -999 ? >GLU^B 102 46.69 54.64 12.03 47.05 52.56 11.84 46.87 53.60 11.94 2 0 1000.00 -999 ? >VAL^B 103 49.39 57.81 16.31 49.67 59.93 16.83 49.53 58.87 16.57 3 0 1000.00 -999 ? >THR^B 104 50.69 55.20 18.73 51.20 53.16 18.31 50.95 54.18 18.52 2 0 1000.00 -999 ? >ILE^B 105 50.59 57.92 22.67 50.10 58.64 22.34 50.34 58.28 22.50 3 0 1000.00 -999 ? >LEU^B 106 55.15 54.68 24.34 55.67 53.21 22.85 55.41 53.94 23.59 3 0 1000.00 -999 ? >THR.B 107 53.48 55.90 28.38 52.35 54.32 29.30 52.92 55.11 28.84 2 0 1000.00 -999 ? >GLN.B 108 55.57 59.66 30.93 55.44 61.18 32.42 55.51 60.42 31.68 2 0 1000.00 -999 ? >PRO.B 109 59.68 54.72 29.35 58.29 54.92 31.08 58.99 54.82 30.21 3 0 1000.00 -999 ? >GLU^B 110 55.95 52.59 35.66 54.37 52.74 37.06 55.16 52.67 36.36 2 0 1000.00 -999 ? >LYS^B 111 60.75 51.44 37.01 65.08 49.38 39.38 62.91 50.41 38.19 2 0 1000.00 -999 ? >ILE.B 112 59.24 46.84 37.53 58.54 45.75 36.87 58.89 46.29 37.20 3 0 1000.00 -999 ? >ASN.B 113 59.62 49.51 42.83 60.31 51.38 42.08 59.96 50.44 42.46 2 0 1000.00 -999 ? >ALA.B 114 60.15 44.62 42.82 59.17 43.79 42.01 59.66 44.21 42.42 2 0 1000.00 -999 ? >SER.B 115 62.76 42.01 43.76 61.94 40.03 44.90 62.35 41.02 44.33 2 0 1000.00 -999 ? >PRO.B 116 66.32 40.47 41.78 64.13 40.20 41.60 65.23 40.34 41.69 3 0 1000.00 -999 ? >LYS.B 117 61.93 36.89 42.09 65.16 33.16 41.96 63.54 35.02 42.03 2 0 1000.00 -999 ? >GLU~B 118 58.91 39.96 44.31 58.60 41.64 45.58 58.76 40.80 44.95 2 0 1000.00 -999 ? >LEU~B 119 60.90 40.81 37.75 62.10 42.60 37.95 61.50 41.70 37.85 3 0 1000.00 -999 ? >PRO~B 120 59.58 36.55 36.76 58.24 38.33 36.73 58.91 37.44 36.75 3 0 1000.00 -999 ? >ASP~B 121 54.26 38.16 39.59 54.12 36.07 39.86 54.19 37.11 39.72 2 0 1000.00 -999 ? >LYS~B 122 54.78 42.33 37.64 56.49 45.76 42.67 55.64 44.04 40.16 2 0 1000.00 -999 ? >VAL~B 123 55.29 42.09 33.88 57.11 41.91 32.73 56.20 42.00 33.30 3 0 1000.00 -999 ? >GLU.B 124 50.38 42.63 33.85 48.75 43.90 34.29 49.57 43.26 34.07 2 0 1000.00 -999 ? >ILE.B 125 52.26 38.56 28.39 53.60 38.54 27.87 52.93 38.55 28.13 3 0 1000.00 -999 ? >GLY.B 126 49.95 41.92 26.12 50.35 42.38 26.68 50.15 42.15 26.40 1 0 1000.00 -999 ? >LYS.B 127 50.01 45.17 28.07 47.28 46.18 33.31 48.64 45.67 30.69 2 0 1000.00 -999 ? >HIS.B 128 53.54 45.85 31.48 52.68 46.43 33.30 53.11 46.14 32.39 3 0 1000.00 -999 ? >GLY^B 129 56.62 46.88 26.90 56.60 46.89 27.87 56.61 46.88 27.39 1 0 1000.00 -999 ? >LEU^B 130 60.40 45.33 29.08 59.53 44.00 30.53 59.97 44.67 29.80 3 0 1000.00 -999 ? >ILE^B 131 63.22 50.16 29.12 63.39 51.50 28.53 63.30 50.83 28.82 3 0 1000.00 -999 ? >VAL^B 132 66.27 47.03 30.60 66.74 44.92 30.85 66.50 45.98 30.72 3 0 1000.00 -999 ? >LYS^B 133 69.00 49.33 31.76 70.79 54.08 33.59 69.90 51.71 32.67 2 0 1000.00 -999 ? >GLN^B 134 73.29 46.41 34.74 74.56 44.76 34.33 73.93 45.58 34.54 2 0 1000.00 -999 ? >GLY.B 135 75.01 50.81 33.87 74.28 50.85 33.40 74.64 50.83 33.64 1 0 1000.00 -999 ? >TYR.B 136 77.39 53.58 31.16 78.62 54.85 33.35 78.00 54.22 32.26 3 0 1000.00 -999 ? >CYH^B 137 73.66 49.37 28.61 75.72 47.41 28.66 74.69 48.39 28.63 2 0 1000.00 -999 ? >GLN^B 138 68.25 51.72 27.77 67.90 53.82 27.69 68.07 52.77 27.73 2 0 1000.00 -999 ? >GLY^B 139 67.54 47.89 25.48 67.13 48.21 26.11 67.33 48.05 25.80 1 0 1000.00 -999 ? >LEU^B 140 63.20 49.07 24.79 61.83 50.19 23.54 62.51 49.63 24.16 3 0 1000.00 -999 ? >LEU^B 141 61.20 44.07 23.55 62.91 42.87 22.97 62.05 43.47 23.26 3 0 1000.00 -999 ? >LEU.B 142 57.26 47.33 20.84 57.90 49.15 19.87 57.58 48.24 20.35 3 0 1000.00 -999 ? >PRO.B 143 54.12 47.79 24.44 55.07 45.94 23.64 54.60 46.87 24.04 3 0 1000.00 -999 ? >GLN~B 144 54.26 44.56 18.69 54.56 46.67 18.85 54.41 45.62 18.77 2 0 1000.00 -999 ? >VAL~B 145 56.61 41.40 20.88 58.74 41.86 20.80 57.68 41.63 20.84 3 0 1000.00 -999 ? >ALA~B 146 55.76 39.08 23.79 55.68 39.51 25.27 55.72 39.29 24.53 2 0 1000.00 -999 ? >PRO~B 147 51.74 40.53 22.77 52.73 38.57 23.11 52.23 39.55 22.94 3 0 1000.00 -999 ? >GLU~B 148 51.86 40.05 18.06 52.37 41.66 16.80 52.11 40.86 17.43 2 0 1000.00 -999 ? >ASN~B 149 57.01 36.24 19.50 57.07 37.37 17.69 57.04 36.81 18.59 2 0 1000.00 -999 ? >ASP.B 150 54.16 32.06 21.88 53.57 30.61 23.26 53.87 31.34 22.57 2 0 1000.00 -999 ? >MET?B 151 56.66 34.67 25.26 59.49 37.40 23.70 58.08 36.03 24.48 2 0 1000.00 -999 ? >ASP~B 152 55.73 33.31 29.91 57.62 32.36 30.06 56.68 32.83 29.99 2 0 1000.00 -999 ? >SER~B 153 56.99 37.07 31.49 55.12 38.01 32.67 56.05 37.54 32.08 2 0 1000.00 -999 ? >ILE~B 154 60.33 33.74 32.66 60.70 32.76 33.62 60.51 33.25 33.14 3 0 1000.00 -999 ? >ASP~B 155 60.05 34.40 27.34 59.71 32.32 27.59 59.88 33.36 27.47 2 0 1000.00 -999 ? >PHE~B 156 58.61 40.60 27.37 57.98 42.81 25.78 58.29 41.70 26.58 3 0 1000.00 -999 ? >LEU~B 157 62.44 39.38 32.17 61.27 40.25 33.77 61.86 39.82 32.97 3 0 1000.00 -999 ? >SER~B 158 65.32 37.61 29.34 65.21 35.58 30.66 65.26 36.59 30.00 2 0 1000.00 -999 ? >HIS~B 159 63.85 37.15 24.11 63.82 35.18 23.41 63.83 36.16 23.76 3 0 1000.00 -999 ? >THR~B 160 64.91 42.39 26.72 63.32 43.72 27.34 64.11 43.06 27.03 2 0 1000.00 -999 ? >CYH~B 161 68.09 41.85 28.72 67.63 41.28 31.40 67.86 41.56 30.06 2 0 1000.00 -999 ? >MET?B 162 69.86 40.41 25.68 70.77 36.87 23.50 70.32 38.64 24.59 2 0 1000.00 -999 ? >LYS~B 163 68.41 43.22 23.58 67.65 46.55 20.38 68.03 44.88 21.98 2 0 1000.00 -999 ? >ALA~B 164 70.22 45.61 25.91 69.86 45.80 27.40 70.04 45.71 26.65 2 0 1000.00 -999 ? >GLY.B 165 73.38 43.65 25.20 72.95 43.52 25.90 73.17 43.58 25.55 1 0 1000.00 -999 ? >LEU.B 166 72.61 42.65 29.79 73.01 44.55 30.73 72.81 43.60 30.26 3 0 1000.00 -999 ? >SER~B 167 73.21 38.43 29.80 73.59 36.52 31.24 73.40 37.47 30.52 2 0 1000.00 -999 ? >PRO~B 168 70.59 35.52 27.92 70.42 37.07 29.52 70.51 36.29 28.72 3 0 1000.00 -999 ? >ASP~B 169 70.53 35.24 34.06 72.62 35.55 34.29 71.58 35.39 34.17 2 0 1000.00 -999 ? >ALA~B 170 70.79 40.03 34.14 71.13 41.09 33.11 70.96 40.56 33.62 2 0 1000.00 -999 ? >TRP~B 171 65.90 38.49 33.20 63.54 36.62 35.74 64.72 37.55 34.47 3 0 1000.00 -999 ? >VAL~B 172 67.69 37.79 37.87 67.55 35.67 37.46 67.62 36.73 37.66 3 0 1000.00 -999 ? >LYS.B 173 70.76 39.59 39.23 75.38 37.48 39.41 73.07 38.54 39.32 2 0 1000.00 -999 ? >GLY.B 174 69.08 42.95 39.77 69.25 42.81 39.05 69.16 42.88 39.41 1 0 1000.00 -999 ? >ALA.B 175 69.26 44.71 36.39 69.35 44.05 35.02 69.30 44.38 35.71 2 0 1000.00 -999 ? >GLU^B 176 68.18 49.75 37.44 68.53 51.83 37.32 68.36 50.79 37.38 2 0 1000.00 -999 ? >VAL^B 177 63.67 46.97 34.62 63.05 44.91 34.27 63.36 45.94 34.45 3 0 1000.00 -999 ? >TYR^B 178 62.83 51.51 33.64 64.89 52.74 35.09 63.86 52.13 34.36 3 0 1000.00 -999 ? >CYH^B 179 57.74 48.96 31.92 55.88 48.73 34.03 56.81 48.84 32.98 2 0 1000.00 -999 ? >PHE^B 180 56.98 51.25 27.58 58.05 49.97 25.33 57.51 50.61 26.46 3 0 1000.00 -999 ? >GLU.B 181 50.94 49.96 29.79 49.29 50.34 31.04 50.12 50.15 30.41 2 0 1000.00 -999 ? >GLY^B 182 50.82 52.13 24.54 50.21 51.75 24.98 50.51 51.94 24.76 1 0 1000.00 -999 ? >GLN^B 183 47.44 55.38 24.14 46.33 56.46 25.62 46.88 55.92 24.88 2 0 1000.00 -999 ? >ILE^B 184 46.70 52.68 18.30 47.34 51.81 17.36 47.02 52.25 17.83 3 0 1000.00 -999 ? >PHE^B 185 44.23 58.02 20.15 43.67 57.94 22.90 43.95 57.98 21.53 3 0 1000.00 -999 ? >LYS^B 186 43.60 56.62 14.35 44.37 50.73 13.81 43.98 53.68 14.08 2 0 1000.00 -999 ? >GLU^B 187 42.86 60.55 11.17 43.47 61.78 9.57 43.17 61.17 10.37 2 0 1000.00 -999 ? >LYS.B 188 38.35 56.69 10.69 34.40 53.24 11.54 36.37 54.97 11.11 2 0 1000.00 -999 ? >GLU.B 189 35.84 58.42 7.18 34.03 59.17 6.35 34.93 58.80 6.76 2 0 1000.00 -999 ? >PRO.B 190 40.81 60.54 4.36 40.28 61.12 6.44 40.54 60.83 5.40 3 0 1000.00 -999 ? >ASP.B 191 40.67 65.76 8.09 41.46 67.44 9.09 41.06 66.60 8.59 2 0 1000.00 -999 ? >GLY.B 192 37.57 62.82 10.38 38.24 62.73 10.80 37.90 62.78 10.59 1 0 1000.00 -999 ? >GLU.B 193 34.92 59.67 15.01 33.74 57.92 15.01 34.33 58.79 15.01 2 0 1000.00 -999 ? >VAL^B 194 39.27 59.51 15.70 41.06 60.59 16.29 40.17 60.05 16.00 3 0 1000.00 -999 ? >ILE^B 195 38.38 54.89 16.21 38.12 54.37 14.84 38.25 54.63 15.52 3 0 1000.00 -999 ? >GLU^B 196 42.13 54.50 22.14 41.76 54.79 24.21 41.95 54.65 23.18 2 0 1000.00 -999 ? >GLU^B 197 43.89 49.04 18.06 42.24 47.72 18.08 43.06 48.38 18.07 2 0 1000.00 -999 ? >LYS.B 198 43.38 49.39 22.87 39.58 51.10 26.48 41.48 50.24 24.67 2 0 1000.00 -999 ? >PHE.B 199 43.64 44.76 22.03 41.59 44.01 23.80 42.61 44.38 22.92 3 0 1000.00 -999 ? >LEU.B 200 50.13 47.61 21.00 50.38 49.66 21.67 50.25 48.64 21.33 3 0 1000.00 -999 ? >GLU.B 201 48.72 41.57 21.07 47.59 42.73 22.42 48.16 42.15 21.75 2 0 1000.00 -999 ? >HIS.B 202 48.72 42.34 14.31 49.39 43.82 12.98 49.06 43.08 13.65 3 0 1000.00 -999 ? >HIS.B 203 48.90 37.16 16.58 50.79 37.19 15.68 49.85 37.17 16.13 3 0 1000.00 -999 ? >HIS.B 204 48.10 37.73 24.20 49.04 37.44 26.06 48.57 37.59 25.13 3 0 1000.00 -999 ? >MET?C 1 54.10 33.38 -2.54 55.52 36.13 -0.37 54.81 34.76 -1.45 2 0 1000.00 -999 ? >LEU.C 2 49.24 33.45 -2.41 48.70 32.11 -0.80 48.97 32.78 -1.61 3 0 1000.00 -999 ? >THR~C 3 49.11 35.19 -6.55 48.84 33.62 -8.02 48.97 34.40 -7.28 2 0 1000.00 -999 ? >GLU~C 4 47.07 39.86 -7.63 46.56 41.26 -9.13 46.81 40.56 -8.38 2 0 1000.00 -999 ? >THR~C 5 43.88 34.97 -7.34 43.52 34.02 -9.24 43.70 34.49 -8.29 2 0 1000.00 -999 ? >GLU~C 6 46.49 30.89 -5.71 48.50 30.42 -6.15 47.50 30.65 -5.93 2 0 1000.00 -999 ? >GLY~C 7 45.17 35.41 -2.07 44.52 35.15 -2.56 44.85 35.28 -2.32 1 0 1000.00 -999 ? >ARG~C 8 39.21 37.63 -5.70 36.17 37.23 -5.63 37.69 37.43 -5.67 2 0 1000.00 -999 ? >ALA~C 9 40.61 32.59 -2.56 41.21 31.43 -3.35 40.91 32.01 -2.95 2 0 1000.00 -999 ? >ALA~C 10 42.26 32.57 0.87 43.71 32.95 1.14 42.98 32.76 1.01 2 0 1000.00 -999 ? >VAL~C 11 40.26 35.49 2.29 40.76 37.32 1.20 40.51 36.40 1.75 3 0 1000.00 -999 ? >LYS~C 12 37.04 34.10 0.81 35.34 38.35 -2.09 36.19 36.22 -0.64 2 0 1000.00 -999 ? >LEU~C 13 38.92 29.89 2.34 39.20 27.79 2.80 39.06 28.84 2.57 3 0 1000.00 -999 ? >ALA~C 14 38.18 32.54 5.82 39.19 33.65 6.07 38.68 33.10 5.94 2 0 1000.00 -999 ? >ARG~C 15 32.79 37.17 3.69 33.63 39.50 5.47 33.21 38.34 4.58 2 0 1000.00 -999 ? >LYS~C 16 32.85 31.44 4.41 31.38 31.38 -0.69 32.11 31.41 1.86 2 0 1000.00 -999 ? >THR~C 17 34.26 29.15 7.09 36.13 28.14 7.41 35.20 28.65 7.25 2 0 1000.00 -999 ? >ILE~C 18 33.96 33.06 9.98 34.65 34.05 10.70 34.31 33.56 10.34 3 0 1000.00 -999 ? >GLU~C 19 30.42 34.40 6.82 29.67 35.61 5.26 30.04 35.00 6.04 2 0 1000.00 -999 ? >ILE~C 20 29.92 27.67 7.26 29.98 26.64 6.26 29.95 27.16 6.76 3 0 1000.00 -999 ? >PHE~C 21 31.95 27.51 13.56 32.37 26.60 16.18 32.16 27.06 14.87 3 0 1000.00 -999 ? >LEU~C 22 28.74 32.35 12.65 30.34 33.50 13.53 29.54 32.93 13.09 3 0 1000.00 -999 ? >SER~C 23 25.39 29.81 11.03 24.03 29.18 9.13 24.71 29.49 10.08 2 0 1000.00 -999 ? >LYS~C 24 25.17 26.36 12.59 27.60 22.45 8.17 26.38 24.40 10.38 2 0 1000.00 -999 ? >GLY.C 25 27.97 25.12 14.82 28.00 24.68 14.09 27.99 24.90 14.46 1 0 1000.00 -999 ? >LYS.C 26 29.75 22.52 12.74 28.64 17.09 9.63 29.19 19.81 11.18 2 0 1000.00 -999 ? >SER.C 27 32.98 23.42 10.98 35.36 23.56 10.52 34.17 23.49 10.75 2 0 1000.00 -999 ? >PRO.C 28 32.94 25.23 7.01 32.50 23.24 7.90 32.72 24.23 7.46 3 0 1000.00 -999 ? >ARG.C 29 32.40 18.77 5.97 33.15 17.15 8.46 32.78 17.96 7.21 2 0 1000.00 -999 ? >PRO.C 30 38.90 20.54 4.47 37.32 22.10 4.34 38.11 21.32 4.40 3 0 1000.00 -999 ? >ASP.C 31 37.96 20.20 -0.22 40.00 19.86 0.21 38.98 20.03 -0.01 2 0 1000.00 -999 ? >ALA.C 32 33.67 21.65 0.71 32.91 20.48 1.34 33.29 21.06 1.02 2 0 1000.00 -999 ? >SER.C 33 33.44 25.39 1.35 35.54 26.28 0.56 34.49 25.83 0.96 2 0 1000.00 -999 ? >GLY.C 34 32.23 26.27 -2.13 33.05 26.41 -1.90 32.64 26.34 -2.01 1 0 1000.00 -999 ? >VAL.C 35 35.43 28.22 -2.71 36.18 29.79 -1.40 35.81 29.01 -2.05 3 0 1000.00 -999 ? >GLU.C 36 36.45 27.35 -7.61 36.06 25.28 -7.87 36.26 26.32 -7.74 2 0 1000.00 -999 ? >LEU.C 37 41.35 25.69 -2.76 40.29 26.42 -1.01 40.82 26.06 -1.89 3 0 1000.00 -999 ? >SER~C 38 44.46 25.91 -6.29 45.93 27.79 -5.80 45.20 26.85 -6.05 2 0 1000.00 -999 ? >PRO~C 39 47.95 23.60 -7.49 46.71 23.84 -5.65 47.33 23.72 -6.57 3 0 1000.00 -999 ? >VAL~C 40 48.95 26.09 -3.28 48.90 28.27 -3.03 48.93 27.18 -3.16 3 0 1000.00 -999 ? >PHE~C 41 44.49 27.09 -0.91 43.84 29.79 -1.30 44.17 28.44 -1.11 3 0 1000.00 -999 ? >GLU~C 42 46.26 20.29 -1.46 45.28 19.44 0.23 45.77 19.86 -0.61 2 0 1000.00 -999 ? >GLU~C 43 52.32 24.17 -1.09 52.92 25.86 -2.19 52.62 25.02 -1.64 2 0 1000.00 -999 ? >TYR.C 44 52.19 20.93 5.39 50.67 18.59 5.58 51.43 19.76 5.48 3 0 1000.00 -999 ? >ARG.C 45 51.79 27.77 2.05 52.89 29.92 0.15 52.34 28.84 1.10 2 0 1000.00 -999 ? >GLY.C 46 51.67 29.11 8.74 51.53 29.32 7.93 51.60 29.22 8.33 1 0 1000.00 -999 ? >VAL^C 47 48.78 31.59 8.67 47.48 30.25 7.55 48.13 30.92 8.11 3 0 1000.00 -999 ? >PHE^C 48 48.81 34.85 12.23 50.86 34.01 13.94 49.83 34.43 13.09 3 0 1000.00 -999 ? >VAL^C 49 43.26 35.21 10.29 41.58 34.01 9.63 42.42 34.61 9.96 3 0 1000.00 -999 ? >THR^C 50 42.47 38.72 11.42 44.05 40.12 11.86 43.26 39.42 11.64 2 0 1000.00 -999 ? >LEU^C 51 37.96 39.53 12.50 37.09 37.65 11.92 37.52 38.59 12.21 3 0 1000.00 -999 ? >THR^C 52 38.43 44.05 12.14 39.82 44.89 10.69 39.13 44.47 11.42 2 0 1000.00 -999 ? >GLU^C 53 32.85 45.74 13.67 31.58 44.42 14.72 32.21 45.08 14.20 2 0 1000.00 -999 ? >GLY.C 54 34.98 49.75 12.24 35.67 49.29 12.24 35.32 49.52 12.24 1 0 1000.00 -999 ? >GLY.C 55 38.75 50.04 11.84 38.41 49.58 12.41 38.58 49.81 12.13 1 0 1000.00 -999 ? >LEU^C 56 38.36 48.67 16.35 38.31 50.60 17.31 38.33 49.64 16.83 3 0 1000.00 -999 ? >LEU^C 57 41.88 44.45 16.73 42.98 42.58 16.60 42.43 43.52 16.67 3 0 1000.00 -999 ? >ARG^C 58 34.68 42.46 16.94 33.57 40.21 18.72 34.13 41.33 17.83 2 0 1000.00 -999 ? >GLY^C 59 39.74 39.12 16.62 40.07 39.57 16.01 39.91 39.35 16.32 1 0 1000.00 -999 ? >CYH^C 60 42.83 37.30 15.44 45.37 37.81 14.39 44.10 37.55 14.91 2 0 1000.00 -999 ? >ILE^C 61 43.16 32.75 16.22 43.56 32.42 17.57 43.36 32.59 16.90 3 0 1000.00 -999 ? >GLY^C 62 46.88 31.96 13.81 46.95 31.70 14.57 46.92 31.83 14.19 1 0 1000.00 -999 ? >HIS^C 63 47.62 27.32 13.54 45.80 26.49 14.18 46.71 26.91 13.86 3 0 1000.00 -999 ? >PRO.C 64 53.31 30.57 15.04 52.29 30.27 13.08 52.80 30.42 14.06 3 0 1000.00 -999 ? >TYR.C 65 55.72 26.39 14.31 57.74 27.03 16.14 56.73 26.71 15.22 3 0 1000.00 -999 ? >PRO.C 66 56.16 24.90 8.77 54.13 25.49 9.50 55.14 25.20 9.13 3 0 1000.00 -999 ? >ASP.C 67 52.14 22.05 12.17 51.25 23.71 13.10 51.69 22.88 12.63 2 0 1000.00 -999 ? >SER.C 68 48.94 22.06 8.64 47.74 22.25 10.76 48.34 22.16 9.70 2 0 1000.00 -999 ? >THR~C 69 48.07 22.61 4.98 46.77 21.04 4.25 47.42 21.83 4.62 2 0 1000.00 -999 ? >LEU~C 70 47.55 26.91 2.79 47.56 29.03 2.39 47.56 27.97 2.59 3 0 1000.00 -999 ? >LYS~C 71 43.61 25.15 3.62 43.18 22.50 0.04 43.40 23.82 1.83 2 0 1000.00 -999 ? >GLU~C 72 43.51 21.00 6.81 41.42 20.63 6.87 42.47 20.82 6.84 2 0 1000.00 -999 ? >ALA~C 73 45.29 26.31 8.83 46.69 26.72 8.45 45.99 26.52 8.64 2 0 1000.00 -999 ? >ILE~C 74 42.71 29.29 5.95 42.73 30.06 4.78 42.72 29.68 5.37 3 0 1000.00 -999 ? >LEU~C 75 39.75 25.53 8.06 37.96 25.45 6.87 38.85 25.49 7.47 3 0 1000.00 -999 ? >ASP~C 76 42.04 25.65 12.51 42.08 25.50 14.60 42.06 25.57 13.56 2 0 1000.00 -999 ? >SER~C 77 42.42 30.04 12.45 44.75 29.82 11.81 43.59 29.93 12.13 2 0 1000.00 -999 ? >ALA~C 78 39.33 31.74 11.01 38.75 31.47 9.61 39.04 31.60 10.31 2 0 1000.00 -999 ? >ILE~C 79 36.33 28.61 13.37 36.58 27.82 13.78 36.45 28.22 13.57 3 0 1000.00 -999 ? >SER~C 80 39.11 30.66 16.31 40.39 28.61 16.60 39.75 29.64 16.45 2 0 1000.00 -999 ? >ALA~C 81 39.71 34.32 15.47 40.26 34.86 14.15 39.98 34.59 14.81 2 0 1000.00 -999 ? >ALA~C 82 35.94 34.74 15.53 35.12 34.37 14.31 35.53 34.55 14.92 2 0 1000.00 -999 ? >THR~C 83 34.99 32.57 18.50 34.15 30.98 17.31 34.57 31.78 17.90 2 0 1000.00 -999 ? >ARG~C 84 38.18 27.92 19.64 41.04 27.69 20.72 39.61 27.80 20.18 2 0 1000.00 -999 ? >ASP.C 85 40.00 36.19 19.95 41.71 37.44 20.14 40.85 36.82 20.05 2 0 1000.00 -999 ? >PRO.C 86 42.29 34.60 24.60 40.23 35.25 24.06 41.26 34.93 24.33 3 0 1000.00 -999 ? >ARG.C 87 43.93 39.94 22.60 44.75 39.97 19.64 44.34 39.96 21.12 2 0 1000.00 -999 ? >PHE.C 88 38.25 40.81 20.72 40.39 42.41 19.89 39.32 41.61 20.30 3 0 1000.00 -999 ? >PRO.C 89 32.79 40.65 22.42 34.04 38.88 22.89 33.41 39.76 22.65 3 0 1000.00 -999 ? >THR.C 90 32.35 35.87 20.41 31.67 33.85 20.57 32.01 34.86 20.49 2 0 1000.00 -999 ? >VAL.C 91 31.44 37.33 17.03 32.97 36.80 15.57 32.21 37.07 16.30 3 0 1000.00 -999 ? >GLU~C 92 26.71 38.32 18.47 26.37 36.49 19.46 26.54 37.40 18.96 2 0 1000.00 -999 ? >GLN~C 93 24.71 34.64 11.55 23.03 33.34 11.49 23.87 33.99 11.52 2 0 1000.00 -999 ? >ASP~C 94 23.69 40.11 12.70 23.86 40.48 14.78 23.77 40.29 13.74 2 0 1000.00 -999 ? >GLU~C 95 28.53 41.23 15.35 29.87 41.13 16.97 29.20 41.18 16.16 2 0 1000.00 -999 ? >MET?C 96 30.13 39.48 9.79 32.62 37.53 10.48 31.38 38.50 10.14 2 0 1000.00 -999 ? >LYS~C 97 28.38 41.92 7.46 24.21 44.34 9.92 26.30 43.13 8.69 2 0 1000.00 -999 ? >ASN.C 98 29.51 45.26 10.59 27.46 45.68 10.24 28.49 45.47 10.41 2 0 1000.00 -999 ? >ILE^C 99 33.60 41.62 10.45 33.93 40.85 11.59 33.76 41.24 11.02 3 0 1000.00 -999 ? >LEU^C 100 37.54 44.27 7.26 36.15 45.69 6.39 36.84 44.98 6.82 3 0 1000.00 -999 ? >VAL^C 101 38.61 39.78 7.01 37.82 37.75 6.77 38.21 38.76 6.89 3 0 1000.00 -999 ? >GLU^C 102 42.80 42.12 7.42 43.86 43.39 8.73 43.33 42.76 8.08 2 0 1000.00 -999 ? >VAL^C 103 44.61 36.68 6.10 43.60 34.90 5.34 44.10 35.79 5.72 3 0 1000.00 -999 ? >THR^C 104 48.36 36.56 6.65 49.46 37.81 8.04 48.91 37.19 7.35 2 0 1000.00 -999 ? >ILE^C 105 49.55 33.30 3.34 48.76 33.28 3.02 49.16 33.29 3.18 3 0 1000.00 -999 ? >LEU^C 106 53.97 32.19 6.93 54.01 33.51 8.65 53.99 32.85 7.79 3 0 1000.00 -999 ? >THR.C 107 55.81 30.87 3.02 57.27 32.30 2.33 56.54 31.59 2.68 2 0 1000.00 -999 ? >GLN.C 108 55.80 26.12 1.53 55.85 24.75 -0.13 55.82 25.44 0.70 2 0 1000.00 -999 ? >PRO.C 109 58.61 27.28 7.45 59.49 27.55 5.42 59.05 27.42 6.43 3 0 1000.00 -999 ? >GLU^C 110 64.10 29.12 2.39 64.19 29.91 0.42 64.15 29.51 1.40 2 0 1000.00 -999 ? >LYS^C 111 66.63 25.93 5.37 70.77 23.29 7.50 68.70 24.61 6.43 2 0 1000.00 -999 ? >ILE.C 112 69.83 29.54 5.92 69.92 30.97 6.16 69.87 30.26 6.04 3 0 1000.00 -999 ? >ASN.C 113 72.20 25.38 2.44 70.44 24.18 2.51 71.32 24.78 2.47 2 0 1000.00 -999 ? >ALA.C 114 75.36 28.23 4.92 75.07 29.72 4.80 75.21 28.97 4.86 2 0 1000.00 -999 ? >SER.C 115 78.09 27.85 7.52 79.88 29.20 6.64 78.98 28.53 7.08 2 0 1000.00 -999 ? >PRO.C 116 78.10 27.64 11.85 77.85 29.23 10.32 77.97 28.43 11.08 3 0 1000.00 -999 ? >LYS.C 117 80.08 32.47 9.71 83.03 31.41 13.35 81.55 31.94 11.53 2 0 1000.00 -999 ? >GLU~C 118 79.42 32.01 5.09 79.54 31.04 3.21 79.48 31.52 4.15 2 0 1000.00 -999 ? >LEU~C 119 73.99 32.09 9.53 73.10 30.13 9.46 73.55 31.11 9.50 3 0 1000.00 -999 ? >PRO~C 120 75.57 36.15 10.92 74.21 35.90 9.19 74.89 36.03 10.05 3 0 1000.00 -999 ? >ASP~C 121 75.73 37.60 4.84 77.22 38.98 5.43 76.48 38.29 5.14 2 0 1000.00 -999 ? >LYS~C 122 71.68 35.29 4.62 75.12 32.97 1.06 73.40 34.13 2.84 2 0 1000.00 -999 ? >VAL~C 123 69.12 36.73 7.03 68.78 36.12 9.11 68.95 36.42 8.07 3 0 1000.00 -999 ? >GLU.C 124 67.74 39.28 3.17 66.89 39.21 1.23 67.31 39.25 2.20 2 0 1000.00 -999 ? >ILE.C 125 66.63 42.96 9.24 66.45 42.33 10.51 66.54 42.65 9.88 3 0 1000.00 -999 ? >GLY.C 126 62.36 43.14 7.29 62.54 42.33 7.16 62.45 42.73 7.23 1 0 1000.00 -999 ? >LYS.C 127 61.65 40.25 4.97 63.25 39.09 -0.80 62.45 39.67 2.08 2 0 1000.00 -999 ? >HIS.C 128 64.43 36.12 5.38 65.14 35.56 3.49 64.79 35.84 4.43 3 0 1000.00 -999 ? >GLY^C 129 61.10 35.50 9.89 61.76 35.09 9.30 61.43 35.29 9.60 1 0 1000.00 -999 ? >LEU^C 130 64.50 33.15 12.00 66.17 34.04 10.97 65.33 33.60 11.48 3 0 1000.00 -999 ? >ILE^C 131 61.98 28.13 11.91 60.72 27.32 11.80 61.35 27.73 11.85 3 0 1000.00 -999 ? >VAL^C 132 65.72 27.57 14.63 67.32 28.52 15.78 66.52 28.04 15.21 3 0 1000.00 -999 ? >LYS^C 133 65.67 23.79 14.88 64.25 18.68 13.23 64.96 21.24 14.05 2 0 1000.00 -999 ? >GLN^C 134 69.92 21.58 18.36 71.26 22.95 19.30 70.59 22.26 18.83 2 0 1000.00 -999 ? >GLY.C 135 66.63 17.91 17.27 66.20 18.62 17.02 66.41 18.26 17.15 1 0 1000.00 -999 ? >TYR.C 136 62.86 15.70 19.04 63.69 13.14 18.21 63.27 14.42 18.63 3 0 1000.00 -999 ? >CYH^C 137 63.47 21.68 19.99 64.66 21.50 22.58 64.07 21.59 21.29 2 0 1000.00 -999 ? >GLN^C 138 61.13 24.53 15.41 60.36 23.22 13.91 60.74 23.88 14.66 2 0 1000.00 -999 ? >GLY^C 139 61.48 28.18 18.04 61.67 28.00 17.24 61.58 28.09 17.64 1 0 1000.00 -999 ? >LEU^C 140 59.27 30.41 14.71 57.30 31.06 14.03 58.29 30.74 14.37 3 0 1000.00 -999 ? >LEU^C 141 61.34 35.44 16.00 61.88 35.64 18.10 61.61 35.54 17.05 3 0 1000.00 -999 ? >LEU.C 142 56.52 37.24 13.53 54.69 36.08 13.78 55.60 36.66 13.66 3 0 1000.00 -999 ? >PRO.C 143 58.05 37.42 8.88 58.96 38.32 10.71 58.50 37.87 9.79 3 0 1000.00 -999 ? >GLN~C 144 56.07 41.61 13.31 54.90 39.94 12.65 55.49 40.77 12.98 2 0 1000.00 -999 ? >VAL~C 145 60.16 41.36 15.15 60.17 39.79 16.63 60.16 40.58 15.89 3 0 1000.00 -999 ? >ALA~C 146 63.64 42.40 13.98 64.49 41.65 12.97 64.06 42.02 13.48 2 0 1000.00 -999 ? >PRO~C 147 61.17 44.19 10.95 62.81 44.91 12.28 61.99 44.55 11.61 3 0 1000.00 -999 ? >GLU~C 148 58.03 46.38 13.82 56.14 45.52 14.16 57.09 45.95 13.99 2 0 1000.00 -999 ? >ASN~C 149 62.54 45.11 18.47 60.47 44.99 18.95 61.51 45.05 18.71 2 0 1000.00 -999 ? >ASP.C 150 66.59 48.60 16.91 68.22 49.67 16.08 67.40 49.14 16.50 2 0 1000.00 -999 ? >MET?C 151 67.71 43.96 15.71 65.40 40.85 17.42 66.56 42.40 16.56 2 0 1000.00 -999 ? >ASP~C 152 71.80 43.64 13.01 73.03 42.94 14.60 72.41 43.29 13.80 2 0 1000.00 -999 ? >SER~C 153 70.92 39.67 11.59 71.21 40.01 9.21 71.07 39.84 10.40 2 0 1000.00 -999 ? >ILE~C 154 74.44 39.24 14.91 75.75 39.38 15.02 75.10 39.31 14.97 3 0 1000.00 -999 ? >ASP~C 155 69.93 41.06 17.25 71.38 42.56 17.67 70.66 41.81 17.46 2 0 1000.00 -999 ? >PHE~C 156 65.77 38.01 13.56 63.02 37.75 13.06 64.40 37.88 13.31 3 0 1000.00 -999 ? >LEU~C 157 70.96 34.43 14.31 71.46 33.96 12.25 71.21 34.19 13.28 3 0 1000.00 -999 ? >SER~C 158 70.56 34.81 18.71 72.75 35.88 18.81 71.66 35.34 18.76 2 0 1000.00 -999 ? >HIS~C 159 66.79 38.22 20.42 67.61 39.87 21.44 67.20 39.04 20.93 3 0 1000.00 -999 ? >THR~C 160 65.39 33.04 17.76 64.68 32.91 15.71 65.03 32.97 16.74 2 0 1000.00 -999 ? >CYH~C 161 67.75 30.47 19.30 70.02 30.09 17.71 68.89 30.28 18.51 2 0 1000.00 -999 ? >MET?C 162 66.74 31.49 22.81 67.68 34.05 26.10 67.21 32.77 24.45 2 0 1000.00 -999 ? >LYS~C 163 63.11 31.45 21.67 58.30 31.35 21.42 60.70 31.40 21.54 2 0 1000.00 -999 ? >ALA~C 164 63.73 27.79 20.86 64.64 27.32 19.73 64.19 27.56 20.29 2 0 1000.00 -999 ? >GLY.C 165 64.89 27.24 24.45 65.44 27.35 23.81 65.16 27.29 24.13 1 0 1000.00 -999 ? >LEU.C 166 68.74 26.58 21.77 68.17 24.73 20.78 68.46 25.66 21.28 3 0 1000.00 -999 ? >SER.C 167 71.62 28.97 23.98 73.99 29.41 24.26 72.80 29.19 24.12 2 0 1000.00 -999 ? >PRO.C 168 71.67 33.25 24.10 71.94 31.72 22.51 71.80 32.49 23.30 3 0 1000.00 -999 ? >ASP.C 169 76.46 30.94 20.93 76.83 29.31 22.23 76.64 30.13 21.58 2 0 1000.00 -999 ? >ALA.C 170 73.39 27.68 19.09 71.97 27.25 19.44 72.68 27.47 19.26 2 0 1000.00 -999 ? >TRP.C 171 72.80 32.28 16.64 75.62 33.95 14.44 74.21 33.12 15.54 3 0 1000.00 -999 ? >VAL.C 172 77.11 29.67 15.80 78.26 31.28 16.70 77.68 30.47 16.25 3 0 1000.00 -999 ? >LYS.C 173 77.57 26.00 16.67 80.06 24.44 20.05 78.81 25.22 18.36 2 0 1000.00 -999 ? >GLY.C 174 75.70 24.69 13.64 75.27 24.92 14.22 75.48 24.80 13.93 1 0 1000.00 -999 ? >ALA.C 175 72.05 24.69 14.73 71.46 25.48 15.89 71.75 25.09 15.31 2 0 1000.00 -999 ? >GLU^C 176 69.22 22.07 11.12 67.77 20.64 10.58 68.50 21.35 10.85 2 0 1000.00 -999 ? >VAL^C 177 68.09 27.79 10.65 69.02 29.69 11.19 68.55 28.74 10.92 3 0 1000.00 -999 ? >TYR^C 178 64.32 25.71 8.60 65.13 23.03 8.62 64.73 24.37 8.61 3 0 1000.00 -999 ? >CYH^C 179 63.69 31.46 7.07 65.09 31.97 4.68 64.39 31.71 5.88 2 0 1000.00 -999 ? >PHE^C 180 58.96 32.08 7.92 58.48 32.96 10.55 58.72 32.52 9.23 3 0 1000.00 -999 ? >GLU.C 181 60.16 36.13 2.89 60.55 36.51 0.84 60.35 36.32 1.86 2 0 1000.00 -999 ? >GLY^C 182 54.72 36.53 4.54 55.12 37.06 4.07 54.92 36.79 4.30 1 0 1000.00 -999 ? >GLN^C 183 51.42 36.63 1.06 51.65 35.98 -0.96 51.54 36.30 0.05 2 0 1000.00 -999 ? >ILE^C 184 48.67 40.98 4.91 48.62 41.46 6.23 48.65 41.22 5.57 3 0 1000.00 -999 ? >PHE^C 185 46.08 38.17 0.03 48.07 37.58 -1.85 47.08 37.88 -0.91 3 0 1000.00 -999 ? >LYS^C 186 42.62 41.88 3.22 46.26 44.75 6.91 44.44 43.32 5.06 2 0 1000.00 -999 ? >GLU^C 187 37.55 40.90 2.55 35.88 40.22 3.64 36.72 40.56 3.09 2 0 1000.00 -999 ? >LYS.C 188 38.61 46.54 1.19 40.70 50.22 -0.73 39.65 48.38 0.23 2 0 1000.00 -999 ? >GLU.C 189 34.07 48.10 1.62 33.42 48.52 3.60 33.74 48.31 2.61 2 0 1000.00 -999 ? >PRO.C 190 31.52 44.46 4.27 33.30 43.47 3.36 32.41 43.96 3.81 3 0 1000.00 -999 ? >ASP.C 191 31.52 39.78 0.66 31.29 37.82 -0.06 31.40 38.80 0.30 2 0 1000.00 -999 ? >GLY.C 192 34.46 42.88 -1.59 34.97 42.33 -1.31 34.72 42.61 -1.45 1 0 1000.00 -999 ? >GLU.C 193 39.47 44.75 -4.81 39.99 46.59 -5.72 39.73 45.67 -5.27 2 0 1000.00 -999 ? >VAL^C 194 40.91 42.03 -1.83 41.09 40.00 -1.08 41.00 41.02 -1.45 3 0 1000.00 -999 ? >ILE^C 195 44.15 45.48 -1.28 43.46 46.64 -0.73 43.80 46.06 -1.01 3 0 1000.00 -999 ? >GLU^C 196 49.85 41.60 -1.45 50.71 40.15 -2.74 50.28 40.87 -2.09 2 0 1000.00 -999 ? >GLU^C 197 50.19 45.10 4.40 50.84 47.04 3.87 50.52 46.07 4.13 2 0 1000.00 -999 ? >LYS.C 198 53.45 43.42 1.30 53.35 42.43 -4.01 53.40 42.93 -1.35 2 0 1000.00 -999 ? >PHE.C 199 55.74 46.98 3.71 57.34 48.09 1.68 56.54 47.53 2.70 3 0 1000.00 -999 ? >LEU.C 200 54.88 41.29 7.90 54.31 39.56 6.72 54.60 40.43 7.31 3 0 1000.00 -999 ? >GLU.C 201 58.42 46.27 8.92 58.22 45.69 6.90 58.32 45.98 7.91 2 0 1000.00 -999 ? >HIS.C 202 52.96 48.25 12.58 51.33 47.13 13.27 52.14 47.69 12.93 3 0 1000.00 -999 ? >HIS.C 203 58.06 50.75 13.52 57.99 49.90 15.43 58.03 50.32 14.47 3 0 1000.00 -999 ? >HIS.C 204 63.10 48.01 8.67 64.81 46.80 8.52 63.95 47.40 8.60 3 0 1000.00 -999 ? >MET?D 1 80.58 10.64 50.66 81.10 13.79 49.56 80.84 12.21 50.11 2 0 1000.00 -999 ? >LEU.D 2 84.08 7.45 49.51 83.75 6.63 47.54 83.92 7.04 48.52 3 0 1000.00 -999 ? >THR~D 3 84.64 6.64 53.82 83.71 4.76 54.32 84.17 5.70 54.07 2 0 1000.00 -999 ? >GLU~D 4 88.63 8.10 56.53 89.78 8.50 58.25 89.21 8.30 57.39 2 0 1000.00 -999 ? >THR~D 5 88.46 2.91 53.76 88.04 1.18 54.98 88.25 2.05 54.37 2 0 1000.00 -999 ? >GLU~D 6 84.00 2.68 51.08 82.03 3.40 51.06 83.02 3.04 51.07 2 0 1000.00 -999 ? >GLY~D 7 88.70 5.89 49.38 88.91 5.13 49.66 88.81 5.51 49.52 1 0 1000.00 -999 ? >ARG~D 8 93.88 1.96 52.86 95.64 -0.48 52.20 94.76 0.74 52.53 2 0 1000.00 -999 ? >ALA~D 9 90.36 1.00 48.12 89.07 0.25 48.42 89.71 0.63 48.27 2 0 1000.00 -999 ? >ALA~D 10 89.67 3.41 45.26 88.96 4.76 45.39 89.32 4.09 45.33 2 0 1000.00 -999 ? >VAL~D 11 93.32 4.45 44.90 93.83 5.60 46.67 93.58 5.03 45.78 3 0 1000.00 -999 ? >LYS~D 12 94.57 0.89 45.46 98.09 2.02 49.35 96.33 1.45 47.40 2 0 1000.00 -999 ? >LEU~D 13 90.69 -0.14 42.74 89.35 -1.34 41.54 90.02 -0.74 42.14 3 0 1000.00 -999 ? >ALA~D 14 93.41 2.41 40.40 93.29 3.90 40.68 93.35 3.15 40.54 2 0 1000.00 -999 ? >ARG~D 15 99.92 1.94 43.78 102.28 3.80 43.15 101.10 2.87 43.47 2 0 1000.00 -999 ? >LYS~D 16 96.77 -2.10 40.89 98.63 -6.36 43.25 97.70 -4.23 42.07 2 0 1000.00 -999 ? >THR~D 17 94.78 -1.86 37.65 92.80 -1.24 37.02 93.79 -1.55 37.33 2 0 1000.00 -999 ? >ILE~D 18 98.02 1.52 36.52 98.21 2.90 36.34 98.12 2.21 36.43 3 0 1000.00 -999 ? >GLU~D 19 100.91 -1.03 39.65 101.28 -1.33 41.70 101.09 -1.18 40.68 2 0 1000.00 -999 ? >ILE~D 20 97.22 -5.66 36.65 96.45 -6.65 37.33 96.83 -6.15 36.99 3 0 1000.00 -999 ? >PHE~D 21 96.57 -2.08 31.02 95.99 -1.75 28.29 96.28 -1.91 29.66 3 0 1000.00 -999 ? >LEU~D 22 102.09 -1.43 33.18 101.64 0.67 33.44 101.87 -0.38 33.31 3 0 1000.00 -999 ? >SER~D 23 102.71 -5.85 33.04 103.45 -7.68 34.46 103.08 -6.76 33.75 2 0 1000.00 -999 ? >LYS~D 24 100.60 -8.60 31.45 95.84 -11.49 33.56 98.22 -10.04 32.51 2 0 1000.00 -999 ? >GLY~D 25 99.12 -6.03 29.06 98.64 -6.42 29.55 98.88 -6.23 29.31 1 0 1000.00 -999 ? >LYS.D 26 95.46 -6.58 29.90 92.03 -11.96 29.35 93.74 -9.27 29.62 2 0 1000.00 -999 ? >SER.D 27 92.89 -5.28 32.40 90.73 -5.32 31.33 91.81 -5.30 31.86 2 0 1000.00 -999 ? >PRO.D 28 92.87 -5.33 36.75 92.63 -6.82 35.11 92.75 -6.07 35.93 3 0 1000.00 -999 ? >ARG.D 29 88.88 -12.92 36.18 88.44 -14.66 38.67 88.66 -13.79 37.42 2 0 1000.00 -999 ? >PRO.D 30 86.05 -5.99 35.80 87.30 -6.73 37.49 86.68 -6.36 36.64 3 0 1000.00 -999 ? >ASP.D 31 85.11 -9.12 41.18 83.53 -7.89 41.89 84.32 -8.50 41.53 2 0 1000.00 -999 ? >ALA.D 32 89.83 -10.07 41.10 89.94 -11.28 40.18 89.89 -10.67 40.64 2 0 1000.00 -999 ? >SER.D 33 92.02 -6.99 41.38 90.35 -5.45 40.54 91.19 -6.22 40.96 2 0 1000.00 -999 ? >GLY.D 34 93.13 -7.70 44.93 92.58 -7.07 44.84 92.86 -7.39 44.89 1 0 1000.00 -999 ? >VAL.D 35 91.32 -4.84 46.63 92.02 -2.82 46.18 91.67 -3.83 46.40 3 0 1000.00 -999 ? >GLU.D 36 88.51 -6.65 50.91 86.97 -8.04 50.49 87.74 -7.34 50.70 2 0 1000.00 -999 ? >LEU.D 37 85.22 -3.32 45.78 86.77 -2.68 44.42 85.99 -3.00 45.10 3 0 1000.00 -999 ? >SER~D 38 82.13 -2.23 49.17 82.27 0.13 49.74 82.20 -1.05 49.45 2 0 1000.00 -999 ? >PRO~D 39 77.82 -1.80 49.61 79.27 -1.93 47.93 78.55 -1.86 48.77 3 0 1000.00 -999 ? >VAL~D 40 79.54 1.86 46.77 81.00 3.34 47.43 80.27 2.60 47.10 3 0 1000.00 -999 ? >PHE~D 41 84.05 0.38 44.77 86.12 1.61 46.19 85.08 1.00 45.48 3 0 1000.00 -999 ? >GLU~D 42 78.71 -2.98 42.97 79.92 -3.64 41.36 79.31 -3.31 42.16 2 0 1000.00 -999 ? >GLU~D 43 76.61 3.34 44.60 76.12 4.89 45.97 76.36 4.11 45.28 2 0 1000.00 -999 ? >TYR.D 44 75.66 3.62 37.24 75.44 1.10 36.02 75.55 2.36 36.63 3 0 1000.00 -999 ? >ARG.D 45 79.80 6.68 43.19 79.78 8.08 45.92 79.79 7.38 44.55 2 0 1000.00 -999 ? >GLY.D 46 81.90 9.88 37.85 81.93 9.70 38.65 81.92 9.79 38.25 1 0 1000.00 -999 ? >VAL^D 47 85.59 9.79 38.75 85.42 7.77 39.53 85.50 8.78 39.14 3 0 1000.00 -999 ? >PHE^D 48 88.19 13.13 36.66 86.30 14.57 35.19 87.25 13.85 35.92 3 0 1000.00 -999 ? >VAL^D 49 92.37 9.21 37.92 92.65 7.05 37.87 92.51 8.13 37.89 3 0 1000.00 -999 ? >THR^D 50 95.43 11.42 38.21 95.21 13.53 38.60 95.32 12.48 38.40 2 0 1000.00 -999 ? >LEU^D 51 99.49 9.39 37.07 98.79 7.35 36.84 99.14 8.37 36.96 3 0 1000.00 -999 ? >THR^D 52 101.89 12.73 39.23 101.00 13.68 40.94 101.45 13.21 40.09 2 0 1000.00 -999 ? >GLU^D 53 107.13 10.42 38.02 107.79 9.59 36.18 107.46 10.00 37.10 2 0 1000.00 -999 ? >GLY.D 54 108.20 14.19 41.01 107.39 14.32 40.92 107.80 14.26 40.97 1 0 1000.00 -999 ? >GLY.D 55 105.43 16.65 41.81 105.51 16.36 41.07 105.47 16.51 41.44 1 0 1000.00 -999 ? >LEU^D 56 105.51 17.30 37.19 106.71 19.09 37.16 106.11 18.19 37.18 3 0 1000.00 -999 ? >LEU^D 57 100.39 16.87 35.45 98.37 16.39 34.88 99.38 16.63 35.17 3 0 1000.00 -999 ? >ARG^D 58 104.50 10.87 33.77 104.05 9.17 31.26 104.28 10.02 32.52 2 0 1000.00 -999 ? >GLY^D 59 98.51 11.77 33.31 98.43 12.09 34.06 98.47 11.93 33.68 1 0 1000.00 -999 ? >CYH^D 60 94.79 12.30 33.98 93.07 13.96 35.45 93.93 13.13 34.71 2 0 1000.00 -999 ? >ILE^D 61 91.84 9.54 31.61 91.59 10.05 30.28 91.71 9.79 30.95 3 0 1000.00 -999 ? >GLY^D 62 88.11 10.52 33.95 88.00 10.69 33.19 88.06 10.60 33.57 1 0 1000.00 -999 ? >HIS^D 63 84.27 7.70 33.04 84.92 6.01 31.98 84.59 6.85 32.51 3 0 1000.00 -999 ? >PRO.D 64 83.81 14.39 32.77 82.93 12.90 34.18 83.37 13.65 33.48 3 0 1000.00 -999 ? >TYR.D 65 77.98 13.12 32.25 77.27 15.61 31.19 77.63 14.36 31.72 3 0 1000.00 -999 ? >PRO.D 66 75.93 10.02 36.58 77.95 9.44 35.86 76.94 9.73 36.22 3 0 1000.00 -999 ? >ASP.D 67 78.58 7.16 31.69 80.66 7.02 32.03 79.62 7.09 31.86 2 0 1000.00 -999 ? >SER.D 68 79.35 3.79 34.63 80.73 3.78 32.64 80.04 3.78 33.63 2 0 1000.00 -999 ? >THR~D 69 79.64 2.11 38.00 79.64 -0.03 37.70 79.64 1.04 37.85 2 0 1000.00 -999 ? >LEU~D 70 82.37 3.57 41.71 83.74 4.77 42.88 83.05 4.17 42.29 3 0 1000.00 -999 ? >LYS~D 71 84.39 0.19 39.69 82.29 -5.05 39.67 83.34 -2.43 39.68 2 0 1000.00 -999 ? >GLU~D 72 81.96 -0.94 35.49 82.65 -2.89 35.07 82.30 -1.91 35.28 2 0 1000.00 -999 ? >ALA~D 73 84.89 4.01 35.81 84.01 5.05 36.50 84.45 4.53 36.15 2 0 1000.00 -999 ? >ILE~D 74 88.16 3.13 39.36 88.58 3.30 40.73 88.37 3.22 40.04 3 0 1000.00 -999 ? >LEU~D 75 88.94 -0.66 35.58 88.86 -2.32 36.95 88.90 -1.49 36.27 3 0 1000.00 -999 ? >ASP~D 76 87.65 2.74 31.94 87.82 3.85 30.15 87.73 3.30 31.05 2 0 1000.00 -999 ? >SER~D 77 90.12 5.91 33.83 88.13 7.17 34.47 89.13 6.54 34.15 2 0 1000.00 -999 ? >ALA~D 78 93.18 4.38 35.47 93.16 3.31 36.58 93.17 3.85 36.03 2 0 1000.00 -999 ? >ILE~D 79 93.68 1.37 31.60 92.64 0.42 31.36 93.16 0.89 31.48 3 0 1000.00 -999 ? >SER~D 80 93.66 5.61 30.14 91.34 5.32 29.45 92.50 5.46 29.79 2 0 1000.00 -999 ? >ALA~D 81 95.45 7.95 32.55 95.13 8.12 34.03 95.29 8.03 33.29 2 0 1000.00 -999 ? >ALA~D 82 98.53 5.76 32.22 98.70 4.47 33.03 98.62 5.11 32.63 2 0 1000.00 -999 ? >THR~D 83 98.26 4.82 28.55 97.68 2.77 28.85 97.97 3.79 28.70 2 0 1000.00 -999 ? >ARG~D 84 92.86 4.53 26.17 91.02 6.93 25.55 91.94 5.73 25.86 2 0 1000.00 -999 ? >ASP.D 85 97.21 11.10 29.16 96.84 13.14 29.64 97.03 12.12 29.40 2 0 1000.00 -999 ? >PRO.D 86 95.49 13.24 24.48 97.27 12.04 25.06 96.38 12.64 24.77 3 0 1000.00 -999 ? >ARG.D 87 97.14 17.21 28.54 96.04 16.73 31.36 96.59 16.97 29.95 2 0 1000.00 -999 ? >PHE.D 88 101.59 13.29 29.96 100.86 15.52 31.48 101.22 14.41 30.72 3 0 1000.00 -999 ? >PRO.D 89 105.79 9.94 27.53 103.71 9.84 26.76 104.75 9.89 27.15 3 0 1000.00 -999 ? >THR.D 90 102.64 5.90 27.99 101.74 4.16 27.09 102.19 5.03 27.54 2 0 1000.00 -999 ? >VAL.D 91 103.96 5.28 31.51 102.34 5.53 32.96 103.15 5.40 32.24 3 0 1000.00 -999 ? >GLU~D 92 108.46 3.30 30.29 108.09 1.95 28.73 108.27 2.63 29.51 2 0 1000.00 -999 ? >GLN~D 93 105.50 -2.48 33.23 105.57 -4.61 33.35 105.54 -3.55 33.29 2 0 1000.00 -999 ? >ASP~D 94 110.81 0.78 35.72 111.00 1.69 33.81 110.90 1.23 34.76 2 0 1000.00 -999 ? >GLU~D 95 108.21 5.49 34.29 107.31 6.79 32.90 107.76 6.14 33.59 2 0 1000.00 -999 ? >MET?D 96 104.94 3.36 38.83 102.02 3.93 37.59 103.48 3.65 38.21 2 0 1000.00 -999 ? >LYS~D 97 107.24 3.01 41.83 112.46 2.31 40.30 109.85 2.66 41.07 2 0 1000.00 -999 ? >ASN.D 98 109.19 7.00 40.33 110.99 6.07 40.98 110.09 6.53 40.65 2 0 1000.00 -999 ? >ILE^D 99 103.85 7.30 39.32 103.39 7.42 38.00 103.62 7.36 38.66 3 0 1000.00 -999 ? >LEU^D 100 101.78 10.26 43.76 103.64 9.89 44.79 102.71 10.08 44.27 3 0 1000.00 -999 ? >VAL^D 101 98.10 7.95 42.27 97.45 6.00 41.53 97.77 6.97 41.90 3 0 1000.00 -999 ? >GLU^D 102 96.68 12.32 43.24 97.01 14.35 42.74 96.84 13.34 42.99 2 0 1000.00 -999 ? >VAL^D 103 91.46 9.50 42.55 90.89 7.41 42.44 91.18 8.46 42.49 3 0 1000.00 -999 ? >THR^D 104 88.64 12.05 42.47 88.78 14.13 41.89 88.71 13.09 42.18 2 0 1000.00 -999 ? >ILE^D 105 85.09 9.37 44.27 85.61 8.69 44.51 85.35 9.03 44.39 3 0 1000.00 -999 ? >LEU^D 106 81.64 12.73 41.02 82.77 14.18 39.91 82.21 13.45 40.47 3 0 1000.00 -999 ? >THR.D 107 78.75 11.51 44.23 78.37 13.10 45.66 78.56 12.30 44.95 2 0 1000.00 -999 ? >GLN.D 108 75.43 7.88 43.31 74.12 6.60 44.40 74.77 7.24 43.86 2 0 1000.00 -999 ? >PRO.D 109 75.35 12.99 39.03 74.38 12.71 41.01 74.86 12.85 40.02 3 0 1000.00 -999 ? >GLU^D 110 71.08 15.43 45.15 70.93 15.18 47.24 71.01 15.30 46.20 2 0 1000.00 -999 ? >LYS^D 111 67.97 16.19 41.50 63.89 18.27 38.74 65.93 17.23 40.12 2 0 1000.00 -999 ? >ILE.D 112 68.22 20.71 43.17 69.16 21.72 43.65 68.69 21.21 43.41 3 0 1000.00 -999 ? >ASN.D 113 62.96 18.27 44.68 63.41 16.41 43.75 63.18 17.34 44.22 2 0 1000.00 -999 ? >ALA.D 114 63.04 23.17 44.40 64.22 23.85 45.07 63.63 23.51 44.73 2 0 1000.00 -999 ? >SER.D 115 61.23 25.89 42.45 60.50 27.64 43.97 60.87 26.76 43.21 2 0 1000.00 -999 ? >PRO.D 116 61.97 27.70 38.54 62.79 27.87 40.60 62.38 27.78 39.57 3 0 1000.00 -999 ? >LYS.D 117 62.76 30.85 43.14 60.46 33.62 39.34 61.61 32.24 41.24 2 0 1000.00 -999 ? >GLU~D 118 62.41 27.65 46.77 61.52 25.97 47.70 61.97 26.81 47.23 2 0 1000.00 -999 ? >LEU~D 119 67.14 26.85 41.73 67.02 24.98 40.65 67.08 25.92 41.19 3 0 1000.00 -999 ? >PRO~D 120 68.79 30.96 42.38 69.35 29.20 43.64 69.07 30.08 43.01 3 0 1000.00 -999 ? >ASP~D 121 68.46 29.39 48.45 68.13 31.48 48.62 68.29 30.43 48.53 2 0 1000.00 -999 ? >LYS~D 122 70.01 25.28 47.25 64.75 21.82 48.02 67.38 23.55 47.64 2 0 1000.00 -999 ? >VAL~D 123 73.17 25.45 45.14 73.36 25.56 42.98 73.26 25.51 44.06 3 0 1000.00 -999 ? >GLU.D 124 75.41 24.74 49.52 75.83 23.47 51.15 75.62 24.11 50.34 2 0 1000.00 -999 ? >ILE.D 125 79.42 28.78 45.31 79.41 28.87 43.82 79.42 28.83 44.56 3 0 1000.00 -999 ? >GLY.D 126 82.47 25.40 46.41 81.80 24.94 46.28 82.14 25.17 46.34 1 0 1000.00 -999 ? >LYS.D 127 80.74 22.12 47.16 78.42 21.56 52.48 79.58 21.84 49.82 2 0 1000.00 -999 ? >HIS.D 128 76.03 21.44 45.59 74.76 20.76 47.11 75.40 21.10 46.35 3 0 1000.00 -999 ? >GLY^D 129 78.87 20.61 40.77 78.01 20.56 41.19 78.44 20.59 40.98 1 0 1000.00 -999 ? >LEU^D 130 75.29 22.31 38.35 74.47 23.49 39.96 74.88 22.90 39.16 3 0 1000.00 -999 ? >ILE^D 131 74.08 17.48 35.81 74.48 16.14 35.38 74.28 16.81 35.60 3 0 1000.00 -999 ? >VAL^D 132 71.23 20.54 33.86 70.77 22.66 33.66 71.00 21.60 33.76 3 0 1000.00 -999 ? >LYS^D 133 68.92 18.33 31.86 67.01 13.41 30.67 67.96 15.87 31.26 2 0 1000.00 -999 ? >GLN^D 134 64.29 21.13 29.36 64.03 23.23 29.10 64.16 22.18 29.23 2 0 1000.00 -999 ? >GLY.D 135 64.95 16.44 27.33 65.68 16.42 27.75 65.31 16.43 27.54 1 0 1000.00 -999 ? >TYR.D 136 66.42 13.95 23.66 63.99 12.57 23.36 65.20 13.26 23.51 3 0 1000.00 -999 ? >CYH^D 137 70.01 18.17 26.16 69.29 20.19 24.32 69.65 19.18 25.24 2 0 1000.00 -999 ? >GLN^D 138 73.03 15.94 30.72 72.97 13.86 31.13 73.00 14.90 30.92 2 0 1000.00 -999 ? >GLY^D 139 75.39 19.69 30.40 74.98 19.35 31.04 75.18 19.52 30.72 1 0 1000.00 -999 ? >LEU^D 140 77.89 18.19 33.96 79.62 17.23 34.89 78.75 17.71 34.42 3 0 1000.00 -999 ? >LEU^D 141 79.79 23.35 35.20 79.76 24.72 33.53 79.77 24.03 34.36 3 0 1000.00 -999 ? >LEU.D 142 84.11 20.20 37.47 84.76 18.31 36.65 84.43 19.25 37.06 3 0 1000.00 -999 ? >PRO.D 143 82.29 19.54 41.92 82.61 21.43 40.79 82.45 20.48 41.36 3 0 1000.00 -999 ? >GLN~D 144 87.34 22.84 39.38 86.92 20.76 39.14 87.13 21.80 39.26 2 0 1000.00 -999 ? >VAL~D 145 84.41 26.00 38.19 83.59 25.59 36.21 84.00 25.79 37.20 3 0 1000.00 -999 ? >ALA~D 146 82.19 28.34 40.21 80.89 27.93 40.93 81.54 28.13 40.57 2 0 1000.00 -999 ? >PRO~D 147 84.82 26.88 43.42 84.16 28.85 42.59 84.49 27.87 43.00 3 0 1000.00 -999 ? >GLU~D 148 89.07 27.40 41.10 90.04 25.77 40.14 89.56 26.58 40.62 2 0 1000.00 -999 ? >ASN~D 149 85.58 31.34 37.08 87.17 30.17 36.27 86.37 30.76 36.68 2 0 1000.00 -999 ? >ASP.D 150 84.58 35.44 40.75 83.77 36.83 42.12 84.18 36.13 41.43 2 0 1000.00 -999 ? >MET?D 151 80.51 32.74 40.03 80.68 30.01 36.81 80.59 31.38 38.42 2 0 1000.00 -999 ? >ASP~D 152 76.86 34.09 42.94 75.91 35.05 41.32 76.39 34.57 42.13 2 0 1000.00 -999 ? >SER~D 153 74.61 30.49 42.55 74.18 29.98 44.86 74.40 30.24 43.71 2 0 1000.00 -999 ? >ILE~D 154 72.36 33.90 39.95 71.45 34.96 40.12 71.90 34.43 40.04 3 0 1000.00 -999 ? >ASP~D 155 77.19 33.08 37.89 77.15 35.10 38.51 77.17 34.09 38.20 2 0 1000.00 -999 ? >PHE~D 156 77.73 26.92 39.21 79.43 24.73 38.93 78.58 25.83 39.07 3 0 1000.00 -999 ? >LEU~D 157 71.68 28.19 37.91 70.87 27.29 39.71 71.27 27.74 38.81 3 0 1000.00 -999 ? >SER~D 158 72.98 30.01 34.03 71.97 32.12 34.74 72.47 31.06 34.39 2 0 1000.00 -999 ? >HIS~D 159 78.28 30.43 33.33 78.94 32.42 33.23 78.61 31.43 33.28 3 0 1000.00 -999 ? >THR~D 160 75.48 25.14 33.30 75.62 23.84 35.01 75.55 24.49 34.16 2 0 1000.00 -999 ? >CYH~D 161 72.30 25.69 31.29 70.14 26.36 32.94 71.22 26.02 32.12 2 0 1000.00 -999 ? >MET?D 162 74.31 27.11 28.40 75.90 30.63 26.65 75.11 28.87 27.53 2 0 1000.00 -999 ? >LYS~D 163 76.86 24.30 28.76 80.03 21.03 27.90 78.45 22.67 28.33 2 0 1000.00 -999 ? >ALA~D 164 73.93 21.95 28.14 72.78 21.78 29.13 73.35 21.87 28.63 2 0 1000.00 -999 ? >GLY.D 165 73.26 23.82 24.89 72.83 23.98 25.59 73.05 23.90 25.24 1 0 1000.00 -999 ? >LEU.D 166 69.51 24.85 27.59 68.60 22.89 27.57 69.06 23.87 27.58 3 0 1000.00 -999 ? >SER.D 167 69.18 29.09 27.14 67.69 30.95 27.56 68.44 30.02 27.35 2 0 1000.00 -999 ? >PRO.D 168 72.07 31.93 28.69 70.63 30.45 29.56 71.35 31.19 29.13 3 0 1000.00 -999 ? >ASP.D 169 66.56 32.30 31.42 65.32 31.93 29.75 65.94 32.11 30.59 2 0 1000.00 -999 ? >ALA.D 170 66.34 27.48 31.30 67.16 26.40 30.60 66.75 26.94 30.95 2 0 1000.00 -999 ? >TRP.D 171 69.23 29.15 35.31 67.96 30.98 38.56 68.59 30.06 36.94 3 0 1000.00 -999 ? >VAL.D 172 64.23 29.79 35.74 64.56 31.96 35.78 64.40 30.88 35.76 3 0 1000.00 -999 ? >LYS.D 173 61.76 28.07 33.42 59.42 29.88 30.09 60.59 28.97 31.75 2 0 1000.00 -999 ? >GLY.D 174 61.90 24.69 35.15 62.50 24.80 34.66 62.20 24.75 34.91 1 0 1000.00 -999 ? >ALA.D 175 64.82 22.87 33.56 65.99 23.49 32.81 65.40 23.18 33.18 2 0 1000.00 -999 ? >GLU^D 176 64.46 17.96 35.08 64.38 15.85 35.02 64.42 16.91 35.05 2 0 1000.00 -999 ? >VAL^D 177 68.91 20.69 37.94 69.40 22.74 38.45 69.16 21.72 38.20 3 0 1000.00 -999 ? >TYR^D 178 70.12 16.10 38.11 67.85 14.89 36.99 68.99 15.49 37.55 3 0 1000.00 -999 ? >CYH^D 179 73.92 18.65 41.98 72.90 18.72 44.59 73.41 18.68 43.29 2 0 1000.00 -999 ? >PHE^D 180 78.08 16.26 40.77 79.56 17.50 38.74 78.82 16.88 39.76 3 0 1000.00 -999 ? >GLU.D 181 78.60 17.36 47.29 78.35 17.11 49.38 78.47 17.24 48.33 2 0 1000.00 -999 ? >GLY^D 182 83.44 15.28 45.00 83.35 15.67 45.74 83.39 15.47 45.37 1 0 1000.00 -999 ? >GLN^D 183 85.21 12.06 47.84 84.37 11.04 49.51 84.79 11.55 48.67 2 0 1000.00 -999 ? >ILE^D 184 90.89 14.44 45.73 91.50 15.21 44.70 91.19 14.83 45.21 3 0 1000.00 -999 ? >PHE^D 185 90.19 9.19 48.96 88.11 9.42 50.83 89.15 9.30 49.89 3 0 1000.00 -999 ? >LYS^D 186 95.72 10.50 47.00 95.85 16.14 45.49 95.78 13.32 46.24 2 0 1000.00 -999 ? >GLU^D 187 98.92 6.35 46.56 99.95 5.18 45.14 99.44 5.77 45.85 2 0 1000.00 -999 ? >LYS.D 188 101.24 10.42 50.12 102.55 13.75 53.97 101.89 12.09 52.04 2 0 1000.00 -999 ? >GLU.D 189 105.11 8.31 51.20 106.96 9.21 50.69 106.03 8.76 50.94 2 0 1000.00 -999 ? >PRO.D 190 105.80 6.56 45.28 104.13 5.91 46.59 104.97 6.24 45.94 3 0 1000.00 -999 ? >ASP.D 191 102.41 1.24 46.63 101.30 -0.53 46.92 101.86 0.36 46.78 2 0 1000.00 -999 ? >GLY.D 192 101.83 4.08 50.52 101.17 4.22 50.13 101.50 4.15 50.32 1 0 1000.00 -999 ? >GLU.D 193 99.02 7.43 54.92 99.64 8.99 56.21 99.33 8.21 55.56 2 0 1000.00 -999 ? >VAL^D 194 96.46 7.57 51.28 95.22 6.50 49.85 95.84 7.03 50.56 3 0 1000.00 -999 ? >ILE^D 195 96.34 12.11 52.63 97.71 12.62 52.49 97.02 12.36 52.56 3 0 1000.00 -999 ? >GLU^D 196 89.53 13.20 51.83 87.74 12.47 52.69 88.63 12.84 52.26 2 0 1000.00 -999 ? >GLU^D 197 92.50 17.97 48.08 93.12 19.36 49.54 92.81 18.67 48.81 2 0 1000.00 -999 ? >LYS.D 198 88.44 17.76 50.71 88.35 15.30 55.48 88.40 16.53 53.09 2 0 1000.00 -999 ? >PHE.D 199 88.94 22.37 50.20 88.14 23.12 52.78 88.54 22.74 51.49 3 0 1000.00 -999 ? >LEU.D 200 87.25 19.53 43.84 86.31 17.64 44.29 86.78 18.58 44.07 3 0 1000.00 -999 ? >GLU.D 201 87.61 25.55 45.42 87.10 24.27 47.03 87.36 24.91 46.23 2 0 1000.00 -999 ? >HIS.D 202 93.50 25.08 42.15 94.11 23.64 40.75 93.80 24.36 41.45 3 0 1000.00 -999 ? >HIS.D 203 91.51 30.17 43.34 91.46 30.15 41.24 91.49 30.16 42.29 3 0 1000.00 -999 ? >HIS.D 204 85.09 29.71 47.28 83.03 30.11 47.40 84.06 29.91 47.34 3 0 1000.00 -999 ?