REMARK SOURCE hebe.pdb HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 14-FEB-05 1YUD COMPND HYPOTHETICAL PROTEIN SO0799; COMPND 3 CHAIN: A, B, C, D, E, F, G, H, I, J; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: SHEWANELLA ONEIDENSIS; SOURCE 3 ORGANISM_TAXID: 211586; SOURCE 4 STRAIN: MR-1; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 7 EXPRESSION_SYSTEM_STRAIN: E.COLI BL21(DE3).MAGIC; SOURCE 8 EXPRESSION_SYSTEM_VECTOR_TYPE: PET21 AUTHOR A.P.KUZIN,S.VOROBIEV,Y.CHEN,F.FOROUHAR,T.ACTON,L.-C.MA,R.XIAO, AUTHOR 2 G.T.MONTELIONE,L.TONG,J.F.HUNT,NORTHEAST STRUCTURAL GENOMICS AUTHOR 3 CONSORTIUM (NESG) HET MSE A 1 8 HET MSE A 62 8 HET MSE A 75 8 HET MSE A 111 8 HET MSE A 122 8 HET MSE A 143 8 HET MSE B 1 8 HET MSE B 62 8 HET MSE B 75 8 HET MSE B 111 8 HET MSE B 122 8 HET MSE B 143 8 HET MSE C 1 8 HET MSE C 62 8 HET MSE C 75 8 HET MSE C 111 8 HET MSE C 122 8 HET MSE C 143 8 HET MSE D 1 8 HET MSE D 62 8 HET MSE D 75 8 HET MSE D 111 8 HET MSE D 122 8 HET MSE D 143 8 HET MSE E 1 8 HET MSE E 62 8 HET MSE E 75 8 HET MSE E 111 8 HET MSE E 122 8 HET MSE E 143 8 HET MSE F 1 8 HET MSE F 62 8 HET MSE F 75 8 HET MSE F 111 8 HET MSE F 122 8 HET MSE F 143 8 HET MSE G 1 8 HET MSE G 62 8 HET MSE G 75 8 HET MSE G 111 8 HET MSE G 122 8 HET MSE G 143 8 HET MSE H 1 8 HET MSE H 62 8 HET MSE H 75 8 HET MSE H 111 8 HET MSE H 122 8 HET MSE H 143 8 HET MSE I 1 8 HET MSE I 62 8 HET MSE I 75 8 HET MSE I 111 8 HET MSE I 122 8 HET MSE I 143 8 HET MSE J 1 8 HET MSE J 62 8 HET MSE J 75 8 HET MSE J 111 8 HET MSE J 122 8 HET MSE J 143 8 >MET?A 1 -27.59 48.19 115.96 -27.25 51.35 116.66 -27.42 49.77 116.31 2 0 1000.00 -999 ? >GLN.A 2 -30.60 43.62 116.72 -30.63 41.85 117.91 -30.62 42.74 117.31 2 0 1000.00 -999 ? >ASN~A 3 -34.22 49.20 117.23 -34.49 51.04 118.27 -34.36 50.12 117.75 2 0 1000.00 -999 ? >ALA~A 4 -36.85 47.39 120.21 -37.64 48.46 120.95 -37.25 47.92 120.58 2 0 1000.00 -999 ? >ASP~A 5 -38.74 47.24 115.75 -39.58 49.15 116.10 -39.16 48.19 115.92 2 0 1000.00 -999 ? >ASP~A 6 -34.80 43.60 116.21 -34.25 44.82 114.59 -34.52 44.21 115.40 2 0 1000.00 -999 ? >PHE~A 7 -34.73 42.81 121.37 -31.96 42.59 121.68 -33.35 42.70 121.53 3 0 1000.00 -999 ? >ILE~A 8 -41.36 43.68 120.06 -41.56 44.26 119.41 -41.46 43.97 119.74 3 0 1000.00 -999 ? >LYS~A 9 -40.57 40.60 116.79 -38.90 39.92 110.75 -39.73 40.26 113.77 2 0 1000.00 -999 ? >PHE~A 10 -35.94 38.31 115.78 -34.93 38.89 113.25 -35.44 38.60 114.52 3 0 1000.00 -999 ? >LEU~A 11 -38.28 37.96 121.95 -36.23 37.73 122.61 -37.26 37.84 122.28 3 0 1000.00 -999 ? >GLU.A 12 -42.56 35.43 118.76 -43.12 33.39 118.85 -42.84 34.41 118.80 2 0 1000.00 -999 ? >LEU.A 13 -42.25 41.26 123.14 -40.36 40.67 123.99 -41.30 40.97 123.56 3 0 1000.00 -999 ? >GLU^A 14 -47.87 38.92 122.54 -48.48 39.46 120.57 -48.18 39.19 121.56 2 0 1000.00 -999 ? >GLN^A 15 -49.04 45.72 124.01 -50.93 45.88 123.00 -49.99 45.80 123.51 2 0 1000.00 -999 ? >HIS.A 16 -46.95 42.53 131.51 -46.96 41.42 133.29 -46.96 41.98 132.40 3 0 1000.00 -999 ? >VAL.A 17 -51.09 44.61 131.54 -52.19 43.90 133.28 -51.64 44.26 132.41 3 0 1000.00 -999 ? >GLU.A 18 -46.32 45.57 134.12 -45.16 44.29 135.37 -45.74 44.93 134.75 2 0 1000.00 -999 ? >GLY.A 19 -47.07 48.17 130.65 -46.89 47.35 130.77 -46.98 47.76 130.71 1 0 1000.00 -999 ? >GLY.A 20 -44.10 47.37 128.44 -44.85 47.10 128.35 -44.48 47.23 128.39 1 0 1000.00 -999 ? >PHE^A 21 -43.66 45.49 124.21 -44.93 47.48 122.70 -44.30 46.49 123.45 3 0 1000.00 -999 ? >TYR^A 22 -45.01 39.66 128.87 -47.37 38.15 129.04 -46.19 38.90 128.96 3 0 1000.00 -999 ? >ARG^A 23 -43.17 34.31 124.71 -45.24 32.02 125.04 -44.20 33.17 124.88 2 0 1000.00 -999 ? >SER^A 24 -42.61 33.90 128.81 -44.74 33.60 129.85 -43.68 33.75 129.33 2 0 1000.00 -999 ? >SER^A 25 -39.32 32.17 128.12 -38.25 34.01 129.25 -38.78 33.09 128.69 2 0 1000.00 -999 ? >TYR^A 26 -37.31 28.36 129.35 -35.64 28.27 127.10 -36.47 28.31 128.23 3 0 1000.00 -999 ? >ARG^A 27 -44.03 29.91 132.62 -46.22 29.31 134.71 -45.12 29.61 133.66 2 0 1000.00 -999 ? >SER.A 28 -40.42 25.17 135.65 -39.16 24.41 137.57 -39.79 24.79 136.61 2 0 1000.00 -999 ? >GLU.A 29 -41.48 21.11 132.49 -40.83 19.66 131.07 -41.15 20.38 131.78 2 0 1000.00 -999 ? >THR.A 30 -41.48 21.06 138.70 -39.75 20.40 139.80 -40.62 20.73 139.25 2 0 1000.00 -999 ? >ALA.A 31 -44.28 22.03 141.06 -45.55 21.21 141.21 -44.92 21.62 141.14 2 0 1000.00 -999 ? >PHE.A 32 -43.76 26.23 145.50 -43.69 27.43 148.03 -43.73 26.83 146.77 3 0 1000.00 -999 ? >ASP.A 33 -48.16 25.13 146.08 -47.01 26.17 147.51 -47.59 25.65 146.79 2 0 1000.00 -999 ? >PRO.A 34 -50.61 20.91 145.89 -49.88 22.34 144.35 -50.24 21.63 145.12 3 0 1000.00 -999 ? >SER.A 35 -51.28 25.58 142.78 -50.50 26.91 144.65 -50.89 26.25 143.71 2 0 1000.00 -999 ? >ARG.A 36 -48.04 30.24 144.04 -48.46 32.33 146.25 -48.25 31.29 145.14 2 0 1000.00 -999 ? >GLN.A 37 -45.60 25.64 137.52 -45.45 23.54 137.83 -45.53 24.59 137.67 2 0 1000.00 -999 ? >LEU.A 38 -40.26 25.09 140.80 -39.10 23.97 142.24 -39.68 24.53 141.52 3 0 1000.00 -999 ? >TRP.A 39 -37.51 27.10 138.48 -37.20 27.97 134.66 -37.36 27.53 136.57 3 0 1000.00 -999 ? >SER^A 40 -40.93 31.17 135.66 -42.65 32.58 136.66 -41.79 31.88 136.16 2 0 1000.00 -999 ? >SER^A 41 -38.99 33.56 133.40 -36.91 34.11 132.26 -37.95 33.83 132.83 2 0 1000.00 -999 ? >ILE^A 42 -41.47 36.83 131.21 -42.34 37.44 132.19 -41.91 37.13 131.70 3 0 1000.00 -999 ? >TYR^A 43 -37.49 37.34 126.58 -35.71 35.46 125.53 -36.60 36.40 126.06 3 0 1000.00 -999 ? >PHE^A 44 -40.69 43.41 131.08 -42.44 45.45 131.91 -41.56 44.43 131.49 3 0 1000.00 -999 ? >LEU^A 45 -38.93 44.95 125.44 -38.38 46.22 123.81 -38.66 45.59 124.62 3 0 1000.00 -999 ? >LEU^A 46 -38.66 49.34 128.84 -39.79 49.82 130.60 -39.23 49.58 129.72 3 0 1000.00 -999 ? >ARG^A 47 -40.77 50.21 121.57 -43.72 50.09 120.74 -42.25 50.15 121.16 2 0 1000.00 -999 ? >THR.A 48 -39.17 55.48 125.31 -37.96 56.96 124.35 -38.56 56.22 124.83 2 0 1000.00 -999 ? >GLY.A 49 -42.95 55.61 125.66 -42.56 54.98 126.04 -42.75 55.30 125.85 1 0 1000.00 -999 ? >GLU.A 50 -44.38 51.05 126.49 -46.30 50.79 127.36 -45.34 50.92 126.93 2 0 1000.00 -999 ? >VAL.A 51 -42.62 52.42 131.86 -43.15 54.44 132.49 -42.89 53.43 132.18 3 0 1000.00 -999 ? >SER^A 52 -43.56 49.56 134.19 -43.29 47.39 135.19 -43.43 48.48 134.69 2 0 1000.00 -999 ? >HIS^A 53 -47.80 52.05 134.58 -47.84 52.93 132.68 -47.82 52.49 133.63 3 0 1000.00 -999 ? >PHE^A 54 -45.61 52.39 141.45 -43.53 54.13 142.17 -44.57 53.26 141.81 3 0 1000.00 -999 ? >HIS^A 55 -46.28 45.81 139.08 -44.38 45.23 138.40 -45.33 45.52 138.74 3 0 1000.00 -999 ? >ARG^A 56 -48.37 43.87 147.26 -50.10 45.69 149.00 -49.23 44.78 148.13 2 0 1000.00 -999 ? >LEU.A 57 -44.78 40.27 142.85 -44.53 41.02 140.84 -44.65 40.64 141.84 3 0 1000.00 -999 ? >THR.A 58 -46.56 37.76 145.99 -48.24 36.46 146.34 -47.40 37.11 146.16 2 0 1000.00 -999 ? >ALA.A 59 -43.14 36.35 145.23 -43.17 35.10 144.36 -43.16 35.73 144.79 2 0 1000.00 -999 ? >ASP.A 60 -38.37 37.11 145.41 -38.29 37.52 147.46 -38.33 37.32 146.44 2 0 1000.00 -999 ? >GLU^A 61 -39.55 39.37 139.11 -40.95 40.71 138.28 -40.25 40.04 138.70 2 0 1000.00 -999 ? >MET?A 62 -34.97 38.45 139.97 -32.30 37.98 142.08 -33.63 38.22 141.02 2 0 1000.00 -999 ? >TRP^A 63 -36.57 42.15 138.67 -37.99 45.00 136.35 -37.28 43.57 137.51 3 0 1000.00 -999 ? >TYR^A 64 -31.34 37.70 135.17 -31.51 35.90 137.29 -31.43 36.80 136.23 3 0 1000.00 -999 ? >PHE^A 65 -29.05 44.94 131.75 -29.00 47.13 129.98 -29.02 46.04 130.87 3 0 1000.00 -999 ? >HIS^A 66 -31.48 39.87 128.43 -32.25 38.14 129.34 -31.86 39.00 128.89 3 0 1000.00 -999 ? >ALA^A 67 -29.15 44.85 126.63 -28.91 44.36 125.20 -29.03 44.61 125.91 2 0 1000.00 -999 ? >GLY^A 68 -30.32 48.37 125.94 -29.75 48.33 126.46 -30.03 48.35 126.20 1 0 1000.00 -999 ? >GLN.A 69 -31.17 53.57 127.71 -30.44 53.40 125.74 -30.80 53.49 126.72 2 0 1000.00 -999 ? >SER.A 70 -30.04 50.97 132.21 -29.44 53.10 133.12 -29.74 52.03 132.66 2 0 1000.00 -999 ? >LEU^A 71 -34.24 49.81 134.19 -34.99 48.83 132.41 -34.61 49.32 133.30 3 0 1000.00 -999 ? >THR^A 72 -34.30 52.15 137.64 -33.79 54.19 138.04 -34.04 53.17 137.84 2 0 1000.00 -999 ? >ILE^A 73 -36.00 48.79 140.58 -36.61 47.80 139.66 -36.31 48.30 140.12 3 0 1000.00 -999 ? >TYR^A 74 -38.61 54.41 140.61 -37.23 55.99 138.75 -37.92 55.20 139.68 3 0 1000.00 -999 ? >MET?A 75 -39.75 50.46 145.22 -36.54 47.72 144.97 -38.15 49.09 145.10 2 0 1000.00 -999 ? >ILE^A 76 -43.34 52.30 147.61 -44.10 53.49 147.39 -43.72 52.89 147.50 3 0 1000.00 -999 ? >SER.A 77 -41.90 49.53 151.31 -41.28 50.79 153.37 -41.59 50.16 152.34 2 0 1000.00 -999 ? >PRO.A 78 -44.07 46.77 153.89 -44.52 48.61 152.70 -44.29 47.69 153.29 3 0 1000.00 -999 ? >GLU.A 79 -43.33 49.72 157.46 -42.98 47.80 156.58 -43.16 48.76 157.02 2 0 1000.00 -999 ? >GLY.A 80 -44.00 54.01 152.90 -43.36 53.63 153.26 -43.68 53.82 153.08 1 0 1000.00 -999 ? >GLU.A 81 -38.03 53.70 153.37 -36.78 51.99 153.55 -37.41 52.85 153.46 2 0 1000.00 -999 ? >LEU^A 82 -39.30 56.01 147.87 -39.64 56.35 145.76 -39.47 56.18 146.81 3 0 1000.00 -999 ? >THR^A 83 -35.74 52.93 147.63 -35.93 51.04 148.68 -35.84 51.98 148.15 2 0 1000.00 -999 ? >THR^A 84 -34.03 52.82 144.23 -33.81 54.95 144.00 -33.92 53.89 144.12 2 0 1000.00 -999 ? >ALA^A 85 -31.55 50.62 142.39 -31.89 49.17 142.65 -31.72 49.89 142.52 2 0 1000.00 -999 ? >GLN^A 86 -28.70 53.24 139.58 -30.34 54.13 138.60 -29.52 53.68 139.09 2 0 1000.00 -999 ? >LEU^A 87 -31.26 47.27 136.39 -31.65 45.16 136.66 -31.45 46.21 136.53 3 0 1000.00 -999 ? >GLY.A 88 -27.58 48.04 133.79 -27.22 47.57 134.37 -27.40 47.81 134.08 1 0 1000.00 -999 ? >LEU.A 89 -23.82 46.95 131.17 -24.11 44.94 130.42 -23.96 45.95 130.79 3 0 1000.00 -999 ? >ASP.A 90 -22.49 52.01 133.68 -20.85 53.37 133.76 -21.67 52.69 133.72 2 0 1000.00 -999 ? >LEU.A 91 -18.85 48.32 136.72 -19.37 46.23 136.51 -19.11 47.28 136.61 3 0 1000.00 -999 ? >ALA.A 92 -18.48 52.94 137.14 -18.30 53.93 135.98 -18.39 53.44 136.56 2 0 1000.00 -999 ? >ALA.A 93 -21.78 54.25 138.54 -22.92 54.81 137.71 -22.35 54.53 138.13 2 0 1000.00 -999 ? >GLY.A 94 -23.67 51.97 140.90 -23.87 52.07 140.15 -23.77 52.02 140.52 1 0 1000.00 -999 ? >GLU^A 95 -26.24 51.28 136.18 -26.00 52.24 134.29 -26.12 51.76 135.23 2 0 1000.00 -999 ? >ARG^A 96 -23.75 45.73 141.48 -21.32 47.54 141.37 -22.53 46.64 141.43 2 0 1000.00 -999 ? >PRO.A 97 -24.43 43.46 135.27 -26.25 43.92 136.42 -25.34 43.69 135.85 3 0 1000.00 -999 ? >GLN.A 98 -28.61 39.21 138.03 -27.36 37.53 138.46 -27.99 38.37 138.25 2 0 1000.00 -999 ? >PHE^A 99 -32.18 45.10 142.01 -32.95 46.17 144.44 -32.56 45.64 143.23 3 0 1000.00 -999 ? >LEU^A 100 -33.14 40.43 144.49 -34.88 39.64 145.44 -34.01 40.04 144.96 3 0 1000.00 -999 ? >VAL^A 101 -37.08 43.13 143.99 -38.69 43.43 142.52 -37.88 43.28 143.25 3 0 1000.00 -999 ? >PRO.A 102 -37.64 43.84 148.14 -38.06 42.10 146.79 -37.85 42.97 147.47 3 0 1000.00 -999 ? >LYS.A 103 -41.95 40.42 147.40 -42.44 34.90 150.53 -42.19 37.66 148.97 2 0 1000.00 -999 ? >GLY.A 104 -44.77 42.24 149.15 -44.27 42.58 148.64 -44.52 42.41 148.90 1 0 1000.00 -999 ? >CYH.A 105 -43.46 45.59 147.97 -41.15 45.98 146.46 -42.30 45.79 147.21 2 0 1000.00 -999 ? >ILE^A 106 -46.10 49.02 145.75 -47.45 49.51 145.70 -46.78 49.27 145.72 3 0 1000.00 -999 ? >PHE^A 107 -41.64 46.45 142.13 -42.14 43.91 141.05 -41.89 45.18 141.59 3 0 1000.00 -999 ? >GLY^A 108 -42.17 49.98 139.04 -41.41 50.03 139.47 -41.79 50.00 139.25 1 0 1000.00 -999 ? >SER^A 109 -39.41 50.96 136.63 -37.36 50.01 135.76 -38.38 50.48 136.20 2 0 1000.00 -999 ? >ALA^A 110 -38.45 53.42 133.93 -38.70 54.89 134.27 -38.58 54.15 134.10 2 0 1000.00 -999 ? >MET?A 111 -35.45 53.57 131.63 -35.90 52.42 127.59 -35.68 53.00 129.61 2 0 1000.00 -999 ? >ASN^A 112 -31.36 55.61 132.95 -31.66 55.20 135.04 -31.51 55.41 134.00 2 0 1000.00 -999 ? >GLN^A 113 -29.57 57.66 128.96 -29.60 59.80 128.94 -29.59 58.73 128.95 2 0 1000.00 -999 ? >ASP^A 114 -34.60 58.33 124.59 -35.82 59.85 125.46 -35.21 59.09 125.02 2 0 1000.00 -999 ? >GLY^A 115 -33.91 53.92 123.67 -34.59 53.89 124.22 -34.25 53.90 123.95 1 0 1000.00 -999 ? >PHE^A 116 -33.73 48.73 122.94 -31.33 47.50 122.28 -32.53 48.11 122.61 3 0 1000.00 -999 ? >SER^A 117 -34.41 47.80 127.26 -33.63 49.60 128.62 -34.02 48.70 127.94 2 0 1000.00 -999 ? >LEU^A 118 -33.86 43.19 126.08 -34.61 41.25 125.49 -34.23 42.22 125.79 3 0 1000.00 -999 ? >VAL^A 119 -34.75 42.52 130.60 -35.28 43.67 132.36 -35.01 43.10 131.48 3 0 1000.00 -999 ? >GLY^A 120 -34.98 39.11 132.21 -35.08 39.81 132.69 -35.03 39.46 132.45 1 0 1000.00 -999 ? >CYH^A 121 -37.47 38.60 135.00 -38.29 41.30 134.97 -37.88 39.95 134.99 2 0 1000.00 -999 ? >MET?A 122 -37.60 35.48 137.14 -36.54 33.04 139.63 -37.07 34.26 138.39 2 0 1000.00 -999 ? >VAL^A 123 -40.29 35.26 139.86 -42.44 35.31 139.66 -41.37 35.29 139.76 3 0 1000.00 -999 ? >SER^A 124 -39.85 32.17 142.03 -38.57 30.84 143.55 -39.21 31.50 142.79 2 0 1000.00 -999 ? >PRO^A 125 -42.68 30.94 145.21 -42.51 30.97 143.00 -42.59 30.95 144.10 3 0 1000.00 -999 ? >GLY^A 126 -44.53 30.49 139.38 -44.64 30.93 140.01 -44.58 30.71 139.69 1 0 1000.00 -999 ? >PHE^A 127 -46.33 36.08 137.36 -47.92 38.35 136.98 -47.12 37.22 137.17 3 0 1000.00 -999 ? >THR^A 128 -49.86 33.23 138.51 -50.34 31.74 140.05 -50.10 32.48 139.28 2 0 1000.00 -999 ? >PHE^A 129 -52.18 37.31 135.79 -50.75 38.43 133.65 -51.46 37.87 134.72 3 0 1000.00 -999 ? >ASP^A 130 -53.50 34.50 142.31 -54.48 33.18 141.01 -53.99 33.84 141.66 2 0 1000.00 -999 ? >ASP^A 131 -48.49 36.02 142.61 -48.87 34.03 143.19 -48.68 35.02 142.90 2 0 1000.00 -999 ? >PHE^A 132 -50.02 41.29 138.51 -49.57 43.67 137.14 -49.80 42.48 137.82 3 0 1000.00 -999 ? >GLU^A 133 -52.95 44.43 143.59 -53.44 44.13 145.62 -53.20 44.28 144.60 2 0 1000.00 -999 ? >LEU^A 134 -52.12 46.75 138.06 -51.01 47.64 136.44 -51.56 47.20 137.25 3 0 1000.00 -999 ? >PHE^A 135 -51.46 49.26 143.47 -51.37 47.17 145.34 -51.41 48.21 144.40 3 0 1000.00 -999 ? >SER^A 136 -54.38 53.21 140.38 -56.00 53.81 142.07 -55.19 53.51 141.23 2 0 1000.00 -999 ? >GLN^A 137 -51.75 58.85 139.99 -51.70 60.35 138.45 -51.72 59.60 139.22 2 0 1000.00 -999 ? >GLU^A 138 -58.02 57.81 142.25 -57.46 58.21 140.25 -57.74 58.01 141.25 2 0 1000.00 -999 ? >ALA^A 139 -54.82 54.79 145.89 -54.97 53.28 145.76 -54.89 54.04 145.82 2 0 1000.00 -999 ? >LEU^A 140 -50.34 55.35 144.13 -49.57 53.40 143.66 -49.96 54.38 143.89 3 0 1000.00 -999 ? >LEU^A 141 -52.13 60.36 145.32 -50.46 60.51 143.97 -51.29 60.44 144.65 3 0 1000.00 -999 ? >ALA^A 142 -53.79 58.33 149.13 -54.89 57.28 149.07 -54.34 57.80 149.10 2 0 1000.00 -999 ? >MET?A 143 -51.35 56.00 150.85 -51.86 52.06 148.99 -51.60 54.03 149.92 2 0 1000.00 -999 ? >TYR^A 144 -47.25 54.93 149.82 -47.61 52.23 150.45 -47.43 53.58 150.13 3 0 1000.00 -999 ? >PRO^A 145 -49.97 60.77 151.65 -48.38 60.43 150.12 -49.18 60.60 150.89 3 0 1000.00 -999 ? >GLN^A 146 -43.57 60.34 151.63 -45.10 58.97 152.27 -44.33 59.66 151.95 2 0 1000.00 -999 ? >HIS^A 147 -42.78 58.50 148.24 -41.72 57.84 149.92 -42.25 58.17 149.08 3 0 1000.00 -999 ? >LYS^A 148 -46.32 62.08 144.55 -46.90 66.35 142.08 -46.61 64.21 143.32 2 0 1000.00 -999 ? >ALA^A 149 -43.43 63.07 142.27 -42.09 63.60 142.77 -42.76 63.34 142.52 2 0 1000.00 -999 ? >VAL^A 150 -42.63 59.49 141.21 -41.59 57.73 141.96 -42.11 58.61 141.59 3 0 1000.00 -999 ? >VAL^A 151 -46.18 58.16 141.62 -47.41 57.81 143.37 -46.79 57.98 142.50 3 0 1000.00 -999 ? >GLN^A 152 -47.89 62.70 139.96 -47.87 64.83 139.88 -47.88 63.76 139.92 2 0 1000.00 -999 ? >LYS^A 153 -44.76 58.68 136.48 -43.92 63.91 137.51 -44.34 61.29 137.00 2 0 1000.00 -999 ? >LEU^A 154 -44.15 54.30 138.23 -42.01 54.20 137.94 -43.08 54.25 138.09 3 0 1000.00 -999 ? >SER^A 155 -48.93 55.15 137.73 -50.49 55.12 139.60 -49.71 55.14 138.66 2 0 1000.00 -999 ? >ARG^A 156 -51.37 55.82 132.30 -50.72 53.24 130.79 -51.05 54.53 131.55 2 0 1000.00 -999 ? >PRO^A 157 -55.01 59.52 135.88 -54.86 57.61 137.01 -54.94 58.56 136.45 3 0 1000.00 -999 ? >GLU^A 158 -61.14 57.07 135.81 -61.84 58.78 136.88 -61.49 57.92 136.35 2 0 1000.00 -999 ? >MET?B 1 -24.89 37.94 169.48 -22.82 36.90 172.07 -23.85 37.42 170.77 2 0 1000.00 -999 ? >GLN^B 2 -19.47 37.02 166.53 -17.47 37.27 167.24 -18.47 37.15 166.89 2 0 1000.00 -999 ? >ASN^B 3 -25.10 34.52 165.10 -25.95 33.61 163.39 -25.52 34.07 164.24 2 0 1000.00 -999 ? >ALA^B 4 -22.38 32.56 162.06 -22.47 31.05 161.93 -22.43 31.80 162.00 2 0 1000.00 -999 ? >ASP^B 5 -26.60 34.01 160.08 -27.46 32.14 160.59 -27.03 33.08 160.34 2 0 1000.00 -999 ? >ASP^B 6 -23.55 38.05 161.71 -25.31 38.08 162.85 -24.43 38.07 162.28 2 0 1000.00 -999 ? >PHE^B 7 -18.62 35.93 160.98 -17.12 36.80 163.16 -17.87 36.37 162.07 3 0 1000.00 -999 ? >ILE^B 8 -22.38 33.56 155.84 -23.00 33.37 155.33 -22.69 33.46 155.59 3 0 1000.00 -999 ? >LYS^B 9 -23.77 37.98 155.41 -29.18 41.04 156.54 -26.47 39.51 155.97 2 0 1000.00 -999 ? >PHE^B 10 -21.78 41.87 158.48 -23.77 43.24 159.92 -22.78 42.56 159.20 3 0 1000.00 -999 ? >LEU^B 11 -17.33 38.05 155.35 -15.92 38.77 156.81 -16.62 38.41 156.08 3 0 1000.00 -999 ? >GLU^B 12 -20.77 40.17 150.88 -19.53 41.65 149.98 -20.15 40.91 150.43 2 0 1000.00 -999 ? >LEU^B 13 -19.09 33.51 153.49 -17.54 34.22 154.83 -18.32 33.87 154.16 3 0 1000.00 -999 ? >GLU^B 14 -19.08 33.30 147.53 -20.79 33.63 146.36 -19.93 33.46 146.95 2 0 1000.00 -999 ? >GLN^B 15 -22.61 27.35 149.81 -24.17 26.73 148.51 -23.39 27.04 149.16 2 0 1000.00 -999 ? >HIS^B 16 -14.28 26.08 149.54 -12.35 25.79 148.78 -13.32 25.94 149.16 3 0 1000.00 -999 ? >VAL^B 17 -16.69 23.01 147.21 -15.42 22.10 145.67 -16.06 22.56 146.44 3 0 1000.00 -999 ? >GLU^B 18 -12.85 22.95 151.27 -10.82 23.64 151.44 -11.84 23.29 151.35 2 0 1000.00 -999 ? >GLY^B 19 -17.17 22.32 152.51 -16.69 22.95 152.24 -16.93 22.64 152.37 1 0 1000.00 -999 ? >GLY^B 20 -17.85 25.35 154.72 -17.95 25.30 153.91 -17.90 25.33 154.32 1 0 1000.00 -999 ? >PHE^B 21 -20.33 29.25 154.20 -22.86 28.14 154.50 -21.59 28.70 154.35 3 0 1000.00 -999 ? >TYR^B 22 -14.51 30.55 149.59 -14.87 30.59 146.80 -14.69 30.57 148.19 3 0 1000.00 -999 ? >ARG^B 23 -16.71 37.56 149.52 -15.57 38.70 146.89 -16.14 38.13 148.20 2 0 1000.00 -999 ? >SER^B 24 -11.15 35.58 148.68 -10.94 34.46 146.54 -11.05 35.02 147.61 2 0 1000.00 -999 ? >SER^B 25 -10.13 38.78 150.51 -8.34 38.31 152.02 -9.24 38.55 151.27 2 0 1000.00 -999 ? >TYR^B 26 -6.66 41.59 150.43 -7.94 43.48 152.08 -7.30 42.53 151.25 3 0 1000.00 -999 ? >ARG^B 27 -5.57 36.60 142.85 -4.98 38.21 140.28 -5.28 37.41 141.57 2 0 1000.00 -999 ? >SER^B 28 -0.91 39.57 145.40 1.46 39.40 145.01 0.27 39.48 145.21 2 0 1000.00 -999 ? >GLU^B 29 -2.27 43.92 142.99 -2.55 46.03 143.16 -2.41 44.97 143.07 2 0 1000.00 -999 ? >THR^B 30 2.98 40.72 142.09 4.77 41.18 143.17 3.87 40.95 142.63 2 0 1000.00 -999 ? >ALA^B 31 3.68 37.62 140.03 3.71 37.73 138.51 3.70 37.67 139.27 2 0 1000.00 -999 ? >PHE^B 32 5.51 32.10 142.15 7.19 29.95 142.80 6.35 31.02 142.47 3 0 1000.00 -999 ? >ASP^B 33 4.95 31.46 137.47 6.66 30.57 138.33 5.81 31.02 137.90 2 0 1000.00 -999 ? >PRO^B 34 4.84 34.21 133.34 3.37 33.73 134.94 4.11 33.97 134.14 3 0 1000.00 -999 ? >SER^B 35 0.35 31.48 136.05 1.93 29.91 136.98 1.14 30.70 136.51 2 0 1000.00 -999 ? >ARG^B 36 -0.44 28.92 139.57 -1.74 26.56 138.13 -1.09 27.74 138.85 2 0 1000.00 -999 ? >GLN^B 37 -1.98 36.42 141.27 -0.96 37.66 139.86 -1.47 37.04 140.57 2 0 1000.00 -999 ? >LEU^B 38 3.34 36.88 145.17 5.46 36.97 145.48 4.40 36.93 145.33 3 0 1000.00 -999 ? >TRP^B 39 1.49 37.67 148.43 -1.83 39.39 149.66 -0.17 38.53 149.04 3 0 1000.00 -999 ? >SER^B 40 -3.88 34.61 147.88 -4.29 32.25 147.24 -4.08 33.43 147.56 2 0 1000.00 -999 ? >SER^B 41 -5.99 34.65 151.01 -5.99 35.56 153.26 -5.99 35.11 152.13 2 0 1000.00 -999 ? >ILE^B 42 -10.05 32.63 151.33 -9.84 31.30 150.82 -9.95 31.97 151.07 3 0 1000.00 -999 ? >TYR^B 43 -12.55 36.51 155.30 -11.91 39.21 155.66 -12.23 37.86 155.48 3 0 1000.00 -999 ? >PHE^B 44 -12.44 28.20 155.29 -13.55 25.67 154.95 -13.00 26.93 155.12 3 0 1000.00 -999 ? >LEU^B 45 -16.85 30.70 158.30 -18.87 30.87 159.10 -17.86 30.78 158.70 3 0 1000.00 -999 ? >LEU^B 46 -16.37 25.33 160.35 -15.04 24.26 158.96 -15.70 24.79 159.66 3 0 1000.00 -999 ? >ARG^B 47 -23.75 26.84 159.40 -25.44 28.73 157.67 -24.59 27.78 158.54 2 0 1000.00 -999 ? >THR^B 48 -22.38 23.22 163.13 -23.46 22.96 164.95 -22.92 23.09 164.04 2 0 1000.00 -999 ? >GLY^B 49 -23.02 20.48 160.61 -22.40 21.01 160.54 -22.71 20.74 160.57 1 0 1000.00 -999 ? >GLU^B 50 -21.37 23.55 157.03 -20.94 22.79 155.12 -21.16 23.17 156.07 2 0 1000.00 -999 ? >VAL^B 51 -16.60 20.53 158.05 -16.89 18.38 158.52 -16.74 19.46 158.28 3 0 1000.00 -999 ? >SER^B 52 -13.75 20.98 155.60 -11.64 21.87 154.88 -12.69 21.43 155.24 2 0 1000.00 -999 ? >HIS^B 53 -15.91 17.19 153.15 -17.87 17.26 153.90 -16.89 17.23 153.52 3 0 1000.00 -999 ? >PHE^B 54 -9.48 14.14 154.54 -8.60 13.43 157.12 -9.04 13.78 155.83 3 0 1000.00 -999 ? >HIS^B 55 -8.97 19.91 150.77 -8.43 21.32 152.21 -8.70 20.62 151.49 3 0 1000.00 -999 ? >ARG^B 56 -2.16 16.31 147.42 -2.28 13.46 146.34 -2.22 14.88 146.88 2 0 1000.00 -999 ? >LEU^B 57 -2.92 22.71 148.65 -4.74 23.41 149.59 -3.83 23.06 149.12 3 0 1000.00 -999 ? >THR^B 58 0.14 21.86 145.79 0.70 22.38 143.78 0.42 22.12 144.78 2 0 1000.00 -999 ? >ALA^B 59 1.33 24.62 148.05 1.17 26.00 147.40 1.25 25.31 147.73 2 0 1000.00 -999 ? >ASP^B 60 3.06 25.70 152.45 4.73 24.46 152.07 3.89 25.08 152.26 2 0 1000.00 -999 ? >GLU^B 61 -3.67 27.27 153.32 -5.56 26.41 152.95 -4.62 26.84 153.14 2 0 1000.00 -999 ? >MET?B 62 -0.99 29.25 156.42 1.80 29.90 158.28 0.40 29.58 157.35 2 0 1000.00 -999 ? >TRP^B 63 -4.32 26.59 157.14 -8.00 25.27 157.62 -6.16 25.93 157.38 3 0 1000.00 -999 ? >TYR^B 64 -3.55 33.66 159.66 -1.03 33.94 158.47 -2.29 33.80 159.06 3 0 1000.00 -999 ? >PHE^B 65 -8.56 31.08 165.92 -11.03 30.69 167.22 -9.80 30.89 166.57 3 0 1000.00 -999 ? >HIS^B 66 -9.77 35.66 161.26 -8.46 36.46 159.83 -9.12 36.06 160.55 3 0 1000.00 -999 ? >ALA^B 67 -12.86 33.86 165.97 -13.85 34.94 165.62 -13.36 34.40 165.79 2 0 1000.00 -999 ? >GLY^B 68 -15.44 31.43 167.31 -14.67 31.41 167.45 -15.05 31.42 167.38 1 0 1000.00 -999 ? >GLN^B 69 -16.32 25.85 168.85 -17.64 27.03 170.01 -16.98 26.44 169.43 2 0 1000.00 -999 ? >SER^B 70 -11.33 26.22 168.11 -10.94 24.68 170.00 -11.14 25.45 169.05 2 0 1000.00 -999 ? >LEU^B 71 -10.44 24.29 163.99 -11.89 25.30 162.78 -11.16 24.80 163.39 3 0 1000.00 -999 ? >THR^B 72 -8.75 20.40 164.96 -9.00 18.56 166.08 -8.88 19.48 165.52 2 0 1000.00 -999 ? >ILE^B 73 -5.81 21.17 161.26 -5.32 22.15 160.31 -5.57 21.66 160.78 3 0 1000.00 -999 ? >TYR^B 74 -8.63 15.56 161.62 -10.38 15.40 163.81 -9.50 15.48 162.72 3 0 1000.00 -999 ? >MET?B 75 -3.77 15.53 158.16 -1.27 18.81 159.21 -2.52 17.17 158.69 2 0 1000.00 -999 ? >ILE^B 76 -3.72 11.34 155.90 -4.61 10.29 155.78 -4.17 10.82 155.84 3 0 1000.00 -999 ? >SER^B 77 0.78 11.86 155.11 1.99 10.08 156.21 1.39 10.97 155.66 2 0 1000.00 -999 ? >PRO^B 78 3.18 11.36 151.51 1.25 10.61 152.32 2.22 10.99 151.91 3 0 1000.00 -999 ? >GLU^B 79 4.89 7.51 153.59 5.17 9.61 153.55 5.03 8.56 153.57 2 0 1000.00 -999 ? >GLY^B 80 -0.75 7.11 155.93 -0.17 7.55 156.20 -0.46 7.33 156.06 1 0 1000.00 -999 ? >GLU^B 81 2.41 9.36 160.75 4.43 10.05 161.03 3.42 9.70 160.89 2 0 1000.00 -999 ? >LEU^B 82 -3.87 9.89 160.92 -5.74 10.89 161.44 -4.80 10.39 161.18 3 0 1000.00 -999 ? >THR^B 83 -1.63 13.68 162.65 0.24 14.32 161.81 -0.70 14.00 162.23 2 0 1000.00 -999 ? >THR^B 84 -3.66 16.59 163.99 -4.98 15.30 165.09 -4.32 15.95 164.54 2 0 1000.00 -999 ? >ALA^B 85 -3.10 20.16 165.25 -2.23 20.90 164.24 -2.66 20.53 164.74 2 0 1000.00 -999 ? >GLN^B 86 -5.68 20.92 169.40 -7.55 20.24 168.66 -6.62 20.58 169.03 2 0 1000.00 -999 ? >LEU^B 87 -6.07 26.22 164.65 -5.61 27.90 163.36 -5.84 27.06 164.00 3 0 1000.00 -999 ? >GLY^B 88 -7.32 28.51 168.52 -6.48 28.56 168.57 -6.90 28.53 168.55 1 0 1000.00 -999 ? >LEU^B 89 -7.58 32.00 171.68 -7.84 33.75 170.48 -7.71 32.87 171.08 3 0 1000.00 -999 ? >ASP^B 90 -7.74 27.31 174.55 -7.67 26.43 176.47 -7.70 26.87 175.51 2 0 1000.00 -999 ? >LEU^B 91 -2.12 29.58 175.36 -1.44 31.11 174.01 -1.78 30.35 174.69 3 0 1000.00 -999 ? >ALA^B 92 -3.33 26.19 178.08 -4.49 26.29 179.06 -3.91 26.24 178.57 2 0 1000.00 -999 ? >ALA^B 93 -4.53 23.30 175.96 -5.94 23.12 175.50 -5.23 23.21 175.73 2 0 1000.00 -999 ? >GLY^B 94 -2.45 22.37 172.91 -2.94 22.94 172.98 -2.69 22.66 172.95 1 0 1000.00 -999 ? >GLU^B 95 -6.49 24.96 171.11 -8.29 25.84 171.77 -7.39 25.40 171.44 2 0 1000.00 -999 ? >ARG^B 96 1.16 27.67 169.86 0.90 27.06 172.86 1.03 27.36 171.36 2 0 1000.00 -999 ? >PRO^B 97 -3.13 31.99 168.59 -3.13 30.32 167.12 -3.13 31.15 167.85 3 0 1000.00 -999 ? >GLN^B 98 -0.87 32.26 162.91 0.68 33.75 162.73 -0.10 33.00 162.82 2 0 1000.00 -999 ? >PHE^B 99 -1.31 23.99 162.02 0.03 21.61 161.43 -0.64 22.80 161.72 3 0 1000.00 -999 ? >LEU^B 100 2.37 26.05 158.62 3.63 25.53 156.92 3.00 25.79 157.77 3 0 1000.00 -999 ? >VAL^B 101 -0.57 22.66 156.85 -2.55 22.48 155.98 -1.56 22.57 156.41 3 0 1000.00 -999 ? >PRO^B 102 2.95 20.34 155.79 1.69 21.87 154.81 2.32 21.11 155.30 3 0 1000.00 -999 ? >LYS^B 103 1.64 20.65 150.62 6.60 22.89 147.48 4.12 21.77 149.05 2 0 1000.00 -999 ? >GLY^B 104 1.35 16.99 149.69 0.81 17.23 150.26 1.08 17.11 149.97 1 0 1000.00 -999 ? >CYH^B 105 -0.85 15.84 152.46 -1.13 17.70 154.55 -0.99 16.77 153.51 2 0 1000.00 -999 ? >ILE^B 106 -5.16 13.94 152.12 -5.91 13.11 151.14 -5.54 13.52 151.63 3 0 1000.00 -999 ? >PHE^B 107 -5.24 19.73 154.79 -4.87 22.02 153.24 -5.06 20.88 154.02 3 0 1000.00 -999 ? >GLY^B 108 -9.55 18.49 156.48 -8.88 18.60 157.08 -9.22 18.55 156.78 1 0 1000.00 -999 ? >SER^B 109 -10.88 20.06 159.66 -10.60 22.08 160.90 -10.74 21.07 160.28 2 0 1000.00 -999 ? >ALA^B 110 -13.84 20.35 161.93 -14.45 18.96 162.16 -14.14 19.66 162.04 2 0 1000.00 -999 ? >MET?B 111 -14.70 22.35 164.99 -17.81 25.16 164.08 -16.26 23.76 164.54 2 0 1000.00 -999 ? >ASN^B 112 -12.95 21.37 169.32 -11.08 20.93 168.39 -12.02 21.15 168.85 2 0 1000.00 -999 ? >GLN^B 113 -18.02 22.49 172.04 -17.40 20.53 172.62 -17.71 21.51 172.33 2 0 1000.00 -999 ? >ASP^B 114 -22.13 23.32 168.77 -22.83 21.40 168.49 -22.48 22.36 168.63 2 0 1000.00 -999 ? >GLY^B 115 -21.27 27.05 166.90 -21.03 26.51 166.33 -21.15 26.78 166.61 1 0 1000.00 -999 ? >PHE^B 116 -19.24 30.88 164.36 -18.58 33.28 165.66 -18.91 32.08 165.01 3 0 1000.00 -999 ? >SER^B 117 -15.36 29.15 163.34 -14.44 27.31 164.61 -14.90 28.23 163.97 2 0 1000.00 -999 ? >LEU^B 118 -14.43 33.40 161.39 -14.49 34.70 159.68 -14.46 34.05 160.54 3 0 1000.00 -999 ? >VAL^B 119 -10.41 31.51 160.01 -9.49 29.57 160.45 -9.95 30.54 160.23 3 0 1000.00 -999 ? >GLY^B 120 -8.18 32.86 157.29 -7.85 32.15 157.66 -8.01 32.51 157.48 1 0 1000.00 -999 ? >CYH^B 121 -5.91 30.94 154.98 -7.49 28.77 155.78 -6.70 29.86 155.38 2 0 1000.00 -999 ? >MET?B 122 -3.15 32.07 152.71 0.18 32.94 152.29 -1.49 32.51 152.50 2 0 1000.00 -999 ? >VAL^B 123 -1.42 29.84 150.16 -2.96 28.93 148.91 -2.19 29.38 149.53 3 0 1000.00 -999 ? >SER^B 124 1.65 31.37 148.61 3.89 32.00 148.26 2.77 31.69 148.43 2 0 1000.00 -999 ? >PRO^B 125 3.38 29.10 145.05 1.73 30.43 145.71 2.56 29.76 145.38 3 0 1000.00 -999 ? >GLY^B 126 -1.94 32.03 144.56 -1.62 31.31 144.41 -1.78 31.67 144.49 1 0 1000.00 -999 ? >PHE^B 127 -6.57 28.08 145.56 -8.44 26.06 145.13 -7.51 27.07 145.35 3 0 1000.00 -999 ? >THR^B 128 -6.18 28.17 141.42 -4.41 28.19 140.21 -5.30 28.18 140.82 2 0 1000.00 -999 ? >PHE^B 129 -10.65 25.33 141.87 -12.32 26.24 143.90 -11.49 25.79 142.89 3 0 1000.00 -999 ? >ASP^B 130 -4.58 23.94 138.34 -5.56 23.69 136.50 -5.07 23.82 137.42 2 0 1000.00 -999 ? >ASP^B 131 -2.87 24.30 143.33 -2.03 25.38 141.73 -2.45 24.84 142.53 2 0 1000.00 -999 ? >PHE^B 132 -9.03 22.19 145.44 -11.15 21.41 147.10 -10.09 21.80 146.27 3 0 1000.00 -999 ? >GLU^B 133 -7.12 15.71 144.16 -5.59 14.57 143.23 -6.36 15.14 143.70 2 0 1000.00 -999 ? >LEU^B 134 -12.23 17.22 146.42 -13.61 17.84 147.94 -12.92 17.53 147.18 3 0 1000.00 -999 ? >PHE^B 135 -8.80 12.97 147.96 -6.20 13.85 147.32 -7.50 13.41 147.64 3 0 1000.00 -999 ? >SER^B 136 -14.22 10.59 147.51 -15.77 8.94 146.66 -14.99 9.76 147.08 2 0 1000.00 -999 ? >GLN^B 137 -16.44 8.10 152.73 -18.28 8.32 153.75 -17.36 8.21 153.24 2 0 1000.00 -999 ? >GLU^B 138 -16.99 5.00 147.40 -18.36 6.60 147.68 -17.68 5.80 147.54 2 0 1000.00 -999 ? >ALA^B 139 -11.30 6.53 147.54 -10.86 7.76 146.77 -11.08 7.14 147.16 2 0 1000.00 -999 ? >LEU^B 140 -10.57 8.80 151.77 -9.62 10.75 151.65 -10.10 9.78 151.71 3 0 1000.00 -999 ? >LEU^B 141 -12.92 3.87 152.54 -14.05 4.76 154.16 -13.48 4.32 153.35 3 0 1000.00 -999 ? >ALA^B 142 -9.67 2.03 149.99 -9.76 2.16 148.49 -9.72 2.10 149.24 2 0 1000.00 -999 ? >MET?B 143 -6.44 3.92 150.54 -6.53 7.75 148.33 -6.48 5.84 149.43 2 0 1000.00 -999 ? >TYR^B 144 -5.20 6.75 153.68 -3.61 8.46 152.17 -4.40 7.60 152.93 3 0 1000.00 -999 ? >PRO^B 145 -7.58 0.31 154.12 -7.85 2.09 155.41 -7.71 1.20 154.76 3 0 1000.00 -999 ? >GLN^B 146 -4.61 3.46 158.74 -4.22 3.05 156.67 -4.41 3.25 157.71 2 0 1000.00 -999 ? >HIS^B 147 -6.34 6.84 159.24 -4.26 6.82 159.58 -5.30 6.83 159.41 3 0 1000.00 -999 ? >LYS^B 148 -12.19 4.75 158.64 -16.44 1.60 157.21 -14.32 3.18 157.93 2 0 1000.00 -999 ? >ALA^B 149 -13.57 6.72 161.62 -13.20 6.47 163.06 -13.39 6.59 162.34 2 0 1000.00 -999 ? >VAL^B 150 -11.85 10.01 160.72 -9.84 10.73 160.37 -10.85 10.37 160.54 3 0 1000.00 -999 ? >VAL^B 151 -12.09 9.68 156.93 -11.12 8.50 155.40 -11.61 9.09 156.17 3 0 1000.00 -999 ? >GLN^B 152 -17.35 7.09 157.47 -17.99 5.34 158.49 -17.67 6.22 157.98 2 0 1000.00 -999 ? >LYS^B 153 -16.44 12.47 159.13 -17.54 8.19 162.28 -16.99 10.33 160.70 2 0 1000.00 -999 ? >LEU^B 154 -12.90 14.70 157.01 -12.45 16.08 158.62 -12.68 15.39 157.81 3 0 1000.00 -999 ? >SER^B 155 -15.52 12.59 153.46 -13.33 11.59 153.16 -14.43 12.09 153.31 2 0 1000.00 -999 ? >ARG^B 156 -20.31 15.75 151.61 -18.45 17.48 149.84 -19.38 16.61 150.73 2 0 1000.00 -999 ? >PRO^B 157 -21.74 9.22 150.56 -19.69 9.70 149.85 -20.71 9.46 150.20 3 0 1000.00 -999 ? >GLU^B 158 -21.69 8.25 144.63 -21.77 6.72 146.09 -21.73 7.49 145.36 2 0 1000.00 -999 ? >MET?C 1 -10.51 34.17 180.98 -11.49 38.25 180.04 -11.00 36.21 180.51 2 0 1000.00 -999 ? >GLN^C 2 -5.76 33.62 177.17 -5.78 32.91 175.17 -5.77 33.26 176.17 2 0 1000.00 -999 ? >ASN^C 3 -3.90 37.06 181.05 -2.82 38.78 181.63 -3.36 37.92 181.34 2 0 1000.00 -999 ? >ALA^C 4 -2.54 39.70 177.74 -2.64 41.21 177.88 -2.59 40.46 177.81 2 0 1000.00 -999 ? >ASP^C 5 1.11 38.68 180.73 1.08 40.74 181.19 1.10 39.71 180.96 2 0 1000.00 -999 ? >ASP^C 6 -1.40 34.04 178.95 -2.15 34.43 180.87 -1.78 34.24 179.91 2 0 1000.00 -999 ? >PHE^C 7 -1.95 35.95 173.85 -4.55 35.11 173.25 -3.25 35.53 173.55 3 0 1000.00 -999 ? >ILE^C 8 4.00 38.38 175.87 4.71 38.52 176.17 4.35 38.45 176.02 3 0 1000.00 -999 ? >LYS^C 9 4.62 34.09 177.51 3.31 29.36 181.20 3.97 31.72 179.35 2 0 1000.00 -999 ? >PHE^C 10 1.23 30.06 176.99 0.31 28.86 179.36 0.77 29.46 178.17 3 0 1000.00 -999 ? >LEU^C 11 3.04 33.63 171.54 1.11 33.42 170.59 2.08 33.53 171.07 3 0 1000.00 -999 ? >GLU^C 12 7.78 31.01 174.03 8.96 29.32 173.50 8.37 30.17 173.76 2 0 1000.00 -999 ? >LEU^C 13 5.79 37.86 172.26 3.96 37.40 171.22 4.87 37.63 171.74 3 0 1000.00 -999 ? >GLU^C 14 11.68 37.77 172.11 13.63 37.38 171.44 12.65 37.57 171.77 2 0 1000.00 -999 ? >GLN^C 15 10.68 44.42 174.34 12.07 45.79 175.21 11.37 45.11 174.78 2 0 1000.00 -999 ? >HIS^C 16 8.80 44.47 166.17 9.08 44.29 164.10 8.94 44.38 165.14 3 0 1000.00 -999 ? >VAL^C 17 12.00 47.58 167.46 13.27 47.98 165.74 12.63 47.78 166.60 3 0 1000.00 -999 ? >GLU^C 18 7.10 47.70 164.86 6.32 46.97 163.02 6.71 47.33 163.94 2 0 1000.00 -999 ? >GLY^C 19 6.80 48.85 169.13 6.98 48.10 168.71 6.89 48.48 168.92 1 0 1000.00 -999 ? >GLY^C 20 4.82 46.00 170.65 5.61 46.04 170.57 5.21 46.02 170.61 1 0 1000.00 -999 ? >PHE^C 21 5.84 42.39 173.30 6.27 43.91 175.61 6.05 43.15 174.46 3 0 1000.00 -999 ? >TYR^C 22 8.49 40.18 166.74 11.21 39.70 166.51 9.85 39.94 166.62 3 0 1000.00 -999 ? >ARG^C 23 9.29 33.86 168.30 11.62 33.83 170.35 10.46 33.85 169.33 2 0 1000.00 -999 ? >SER^C 24 8.13 34.53 163.89 10.36 35.38 163.41 9.24 34.95 163.65 2 0 1000.00 -999 ? >SER^C 25 5.51 31.75 163.65 3.85 32.44 162.01 4.68 32.10 162.83 2 0 1000.00 -999 ? >TYR^C 26 4.84 28.38 160.70 3.44 26.84 162.58 4.14 27.61 161.64 3 0 1000.00 -999 ? >ARG^C 27 11.81 33.15 157.03 14.79 32.59 157.47 13.30 32.87 157.25 2 0 1000.00 -999 ? >SER^C 28 8.19 29.41 153.76 7.69 29.30 151.38 7.94 29.36 152.57 2 0 1000.00 -999 ? >GLU^C 29 10.32 24.88 154.67 9.88 22.87 155.12 10.10 23.87 154.89 2 0 1000.00 -999 ? >THR^C 30 10.34 27.48 149.16 8.89 26.90 147.66 9.61 27.19 148.41 2 0 1000.00 -999 ? >ALA^C 31 12.66 30.22 147.95 14.08 29.95 147.48 13.37 30.09 147.72 2 0 1000.00 -999 ? >PHE^C 32 10.91 35.86 146.19 10.38 38.08 144.60 10.65 36.97 145.40 3 0 1000.00 -999 ? >ASP^C 33 15.17 36.05 145.08 14.42 36.77 143.24 14.79 36.41 144.16 2 0 1000.00 -999 ? >PRO^C 34 19.25 33.58 144.28 17.94 33.79 146.07 18.59 33.69 145.18 3 0 1000.00 -999 ? >SER^C 35 17.64 36.27 149.04 16.68 37.87 147.48 17.16 37.07 148.26 2 0 1000.00 -999 ? >ARG^C 36 15.03 39.53 150.37 17.39 41.49 150.44 16.21 40.51 150.41 2 0 1000.00 -999 ? >GLN^C 37 13.07 31.91 152.98 13.84 30.52 151.55 13.46 31.21 152.27 2 0 1000.00 -999 ? >LEU^C 38 8.02 31.84 149.10 7.13 31.25 147.25 7.57 31.55 148.18 3 0 1000.00 -999 ? >TRP^C 39 4.97 31.59 151.61 4.51 30.43 155.34 4.74 31.01 153.47 3 0 1000.00 -999 ? >SER^C 40 7.10 34.97 156.24 7.83 37.19 156.90 7.46 36.08 156.57 2 0 1000.00 -999 ? >SER^C 41 4.65 35.05 159.16 2.51 34.35 160.03 3.58 34.70 159.60 2 0 1000.00 -999 ? >ILE^C 42 5.76 37.54 162.81 6.40 38.71 162.13 6.08 38.12 162.47 3 0 1000.00 -999 ? >TYR^C 43 2.19 34.47 166.88 1.12 31.89 166.79 1.65 33.18 166.83 3 0 1000.00 -999 ? >PHE^C 44 2.78 42.66 165.85 3.47 45.32 166.35 3.12 43.99 166.10 3 0 1000.00 -999 ? >LEU^C 45 1.05 40.81 171.29 0.29 40.91 173.29 0.67 40.86 172.29 3 0 1000.00 -999 ? >LEU^C 46 -0.52 46.01 170.54 0.52 47.24 169.12 0.00 46.62 169.83 3 0 1000.00 -999 ? >ARG^C 47 1.75 44.01 177.77 4.64 44.32 178.72 3.19 44.17 178.24 2 0 1000.00 -999 ? >THR^C 48 -2.82 48.32 177.08 -4.00 47.71 178.83 -3.41 48.01 177.96 2 0 1000.00 -999 ? >GLY^C 49 -0.20 50.99 176.48 -0.06 50.46 175.94 -0.13 50.72 176.21 1 0 1000.00 -999 ? >GLU^C 50 3.21 48.91 174.44 4.08 46.99 174.46 3.65 47.95 174.45 2 0 1000.00 -999 ? >VAL^C 51 1.49 51.25 169.49 1.55 53.40 169.80 1.52 52.33 169.64 3 0 1000.00 -999 ? >SER^C 52 3.15 50.23 166.23 3.50 48.96 164.21 3.33 49.59 165.22 2 0 1000.00 -999 ? >HIS^C 53 6.45 53.74 167.32 5.99 53.89 169.36 6.22 53.82 168.34 3 0 1000.00 -999 ? >PHE^C 54 3.92 56.44 160.89 1.35 57.50 160.45 2.64 56.97 160.67 3 0 1000.00 -999 ? >HIS^C 55 6.93 50.30 160.16 5.44 48.84 160.37 6.18 49.57 160.26 3 0 1000.00 -999 ? >ARG^C 56 9.18 52.99 152.09 10.45 55.75 151.76 9.81 54.37 151.93 2 0 1000.00 -999 ? >LEU^C 57 7.01 47.13 154.29 6.86 46.17 156.22 6.93 46.65 155.25 3 0 1000.00 -999 ? >THR^C 58 9.52 46.96 150.52 11.57 47.19 150.00 10.54 47.08 150.26 2 0 1000.00 -999 ? >ALA^C 59 6.69 44.42 150.27 7.32 43.06 150.58 7.01 43.74 150.42 2 0 1000.00 -999 ? >ASP^C 60 2.00 43.18 150.21 1.45 44.31 148.51 1.73 43.75 149.36 2 0 1000.00 -999 ? >GLU^C 61 2.14 42.99 156.90 3.43 43.82 158.34 2.79 43.41 157.62 2 0 1000.00 -999 ? >MET?C 62 -1.43 40.76 155.24 -3.89 40.37 153.10 -2.66 40.56 154.17 2 0 1000.00 -999 ? >TRP^C 63 -0.80 43.73 158.45 -0.46 45.54 161.93 -0.63 44.64 160.19 3 0 1000.00 -999 ? >TYR^C 64 -4.22 36.97 158.87 -3.78 36.43 156.17 -4.00 36.70 157.52 3 0 1000.00 -999 ? >PHE^C 65 -8.62 40.50 165.12 -9.28 41.29 167.73 -8.95 40.90 166.42 3 0 1000.00 -999 ? >HIS^C 66 -4.12 35.55 165.58 -3.00 34.72 164.01 -3.56 35.14 164.80 3 0 1000.00 -999 ? >ALA^C 67 -7.81 37.94 169.43 -7.54 36.87 170.48 -7.68 37.41 169.96 2 0 1000.00 -999 ? >GLY^C 68 -8.26 41.03 171.55 -8.79 41.01 171.10 -8.53 41.02 171.32 1 0 1000.00 -999 ? >GLN^C 69 -9.17 46.60 172.47 -10.24 45.52 173.95 -9.71 46.06 173.21 2 0 1000.00 -999 ? >SER^C 70 -9.77 46.15 167.40 -11.62 47.69 167.85 -10.69 46.92 167.63 2 0 1000.00 -999 ? >LEU^C 71 -5.76 47.60 165.48 -4.60 46.23 166.68 -5.18 46.92 166.08 3 0 1000.00 -999 ? >THR^C 72 -6.76 51.11 163.36 -7.84 52.94 163.61 -7.30 52.03 163.49 2 0 1000.00 -999 ? >ILE^C 73 -4.11 49.69 159.69 -3.66 48.42 159.24 -3.88 49.06 159.47 3 0 1000.00 -999 ? >TYR^C 74 -3.24 55.31 161.92 -4.95 55.44 164.14 -4.09 55.37 163.03 3 0 1000.00 -999 ? >MET?C 75 -1.27 54.58 156.16 -3.47 51.35 155.01 -2.37 52.97 155.59 2 0 1000.00 -999 ? >ILE^C 76 1.18 58.53 155.35 1.39 59.75 156.12 1.29 59.14 155.74 3 0 1000.00 -999 ? >SER^C 77 0.85 57.34 150.76 -0.73 58.99 149.96 0.06 58.17 150.36 2 0 1000.00 -999 ? >PRO^C 78 3.79 57.00 147.55 3.55 58.14 149.46 3.67 57.57 148.51 3 0 1000.00 -999 ? >GLU^C 79 1.36 60.27 145.74 -0.20 59.77 144.38 0.58 60.02 145.06 2 0 1000.00 -999 ? >GLY^C 80 1.17 62.16 151.62 0.67 61.82 151.20 0.92 61.99 151.41 1 0 1000.00 -999 ? >GLU^C 81 -4.78 60.93 150.66 -5.91 59.59 149.50 -5.35 60.26 150.08 2 0 1000.00 -999 ? >LEU^C 82 -3.83 60.42 156.29 -3.73 59.61 158.28 -3.78 60.01 157.28 3 0 1000.00 -999 ? >THR^C 83 -6.13 56.62 155.16 -5.54 55.71 153.28 -5.83 56.17 154.22 2 0 1000.00 -999 ? >THR^C 84 -7.11 54.38 158.06 -7.73 56.00 159.31 -7.42 55.19 158.69 2 0 1000.00 -999 ? >ALA^C 85 -8.65 50.91 158.26 -8.12 49.83 157.33 -8.38 50.37 157.79 2 0 1000.00 -999 ? >GLN^C 86 -12.23 50.65 161.61 -11.46 51.38 163.48 -11.84 51.01 162.54 2 0 1000.00 -999 ? >LEU^C 87 -7.57 45.21 161.80 -6.65 43.32 161.41 -7.11 44.27 161.61 3 0 1000.00 -999 ? >GLY^C 88 -11.23 43.37 164.13 -11.49 43.25 163.34 -11.36 43.31 163.74 1 0 1000.00 -999 ? >LEU^C 89 -14.61 40.25 165.36 -13.46 38.45 165.59 -14.03 39.35 165.47 3 0 1000.00 -999 ? >ASP^C 90 -17.17 45.19 165.64 -19.10 45.81 166.03 -18.13 45.50 165.84 2 0 1000.00 -999 ? >LEU^C 91 -19.16 42.26 160.77 -17.97 40.54 160.28 -18.57 41.40 160.53 3 0 1000.00 -999 ? >ALA^C 92 -21.55 46.00 161.57 -22.58 46.02 162.67 -22.06 46.01 162.12 2 0 1000.00 -999 ? >ALA^C 93 -18.91 48.75 162.04 -18.03 48.93 163.27 -18.47 48.84 162.65 2 0 1000.00 -999 ? >GLY^C 94 -16.08 48.91 159.51 -15.94 48.50 160.21 -16.01 48.70 159.86 1 0 1000.00 -999 ? >GLU^C 95 -13.89 46.97 163.57 -14.38 46.70 165.59 -14.14 46.84 164.58 2 0 1000.00 -999 ? >ARG^C 96 -14.83 43.79 156.01 -17.69 44.34 157.00 -16.26 44.06 156.50 2 0 1000.00 -999 ? >PRO^C 97 -12.81 39.30 160.51 -11.25 40.84 160.03 -12.03 40.07 160.27 3 0 1000.00 -999 ? >GLN^C 98 -8.02 38.26 157.01 -8.06 36.69 155.54 -8.04 37.47 156.27 2 0 1000.00 -999 ? >PHE^C 99 -6.34 46.16 156.04 -5.92 48.44 154.54 -6.13 47.30 155.29 3 0 1000.00 -999 ? >LEU^C 100 -3.88 43.62 151.98 -2.09 44.19 150.93 -2.99 43.91 151.46 3 0 1000.00 -999 ? >VAL^C 101 -1.21 47.13 153.77 -0.35 46.90 155.77 -0.78 47.01 154.77 3 0 1000.00 -999 ? >PRO^C 102 -1.10 49.68 150.36 -0.06 47.82 150.95 -0.58 48.75 150.65 3 0 1000.00 -999 ? >LYS^C 103 4.11 47.91 149.82 5.77 45.83 144.05 4.94 46.87 146.93 2 0 1000.00 -999 ? >GLY^C 104 5.51 51.40 149.79 5.05 51.28 150.38 5.28 51.34 150.08 1 0 1000.00 -999 ? >CYH^C 105 3.34 53.34 152.19 1.33 51.75 153.52 2.33 52.54 152.85 2 0 1000.00 -999 ? >ILE^C 106 4.91 55.81 155.84 6.08 56.62 156.10 5.50 56.21 155.97 3 0 1000.00 -999 ? >PHE^C 107 2.01 50.48 157.65 3.38 48.06 157.36 2.69 49.27 157.51 3 0 1000.00 -999 ? >GLY^C 108 1.79 52.36 162.12 1.02 52.25 161.62 1.41 52.30 161.87 1 0 1000.00 -999 ? >SER^C 109 -1.06 50.93 164.18 -2.17 48.76 164.45 -1.62 49.84 164.31 2 0 1000.00 -999 ? >ALA^C 110 -2.84 51.47 167.45 -2.91 52.95 167.76 -2.87 52.21 167.61 2 0 1000.00 -999 ? >MET?C 111 -5.69 49.84 169.34 -4.34 47.23 172.52 -5.02 48.53 170.93 2 0 1000.00 -999 ? >ASN^C 112 -10.26 51.11 168.82 -9.83 51.09 166.72 -10.05 51.10 167.77 2 0 1000.00 -999 ? >GLN^C 113 -12.37 50.64 173.27 -12.81 50.85 171.20 -12.59 50.74 172.23 2 0 1000.00 -999 ? >ASP^C 114 -7.38 50.56 177.47 -6.37 52.43 177.36 -6.87 51.49 177.42 2 0 1000.00 -999 ? >GLY^C 115 -6.56 46.19 176.30 -5.95 46.62 175.86 -6.26 46.41 176.08 1 0 1000.00 -999 ? >PHE^C 116 -4.73 41.32 174.77 -6.26 39.03 174.36 -5.50 40.17 174.57 3 0 1000.00 -999 ? >SER^C 117 -4.34 42.86 170.71 -5.68 44.81 170.27 -5.01 43.83 170.49 2 0 1000.00 -999 ? >LEU^C 118 -3.09 38.38 169.70 -1.52 36.97 169.45 -2.30 37.67 169.58 3 0 1000.00 -999 ? >VAL^C 119 -2.65 39.90 165.31 -2.44 41.72 164.07 -2.55 40.81 164.69 3 0 1000.00 -999 ? >GLY^C 120 -0.97 37.90 162.54 -1.17 38.76 162.36 -1.07 38.33 162.45 1 0 1000.00 -999 ? >CYH^C 121 1.23 39.46 159.90 0.83 41.76 161.36 1.03 40.61 160.63 2 0 1000.00 -999 ? >MET?C 122 2.54 37.78 156.81 1.82 36.40 153.36 2.18 37.09 155.08 2 0 1000.00 -999 ? >VAL^C 123 4.91 39.73 154.60 6.03 41.45 155.25 5.47 40.59 154.92 3 0 1000.00 -999 ? >SER^C 124 5.72 39.36 150.91 5.09 40.08 148.68 5.40 39.72 149.80 2 0 1000.00 -999 ? >PRO^C 125 8.73 38.77 147.78 8.42 38.20 149.91 8.58 38.49 148.85 3 0 1000.00 -999 ? >GLY^C 126 10.08 37.05 153.52 10.09 37.71 153.15 10.09 37.38 153.34 1 0 1000.00 -999 ? >PHE^C 127 10.17 41.45 157.84 11.17 43.42 159.54 10.67 42.44 158.69 3 0 1000.00 -999 ? >THR^C 128 14.16 40.88 156.40 15.03 40.37 154.50 14.59 40.63 155.45 2 0 1000.00 -999 ? >PHE^C 129 15.52 44.04 160.29 14.00 43.25 162.53 14.76 43.65 161.41 3 0 1000.00 -999 ? >ASP^C 130 17.41 44.30 153.37 19.44 44.10 153.86 18.42 44.20 153.62 2 0 1000.00 -999 ? >ASP^C 131 12.22 44.22 152.93 13.48 42.57 152.49 12.85 43.40 152.71 2 0 1000.00 -999 ? >PHE^C 132 11.86 47.36 159.03 10.57 48.43 161.27 11.22 47.89 160.15 3 0 1000.00 -999 ? >GLU^C 133 12.89 53.35 156.11 13.23 54.28 154.22 13.06 53.82 155.17 2 0 1000.00 -999 ? >LEU^C 134 11.98 52.34 161.99 10.93 52.32 163.88 11.45 52.33 162.94 3 0 1000.00 -999 ? >PHE^C 135 10.15 56.76 158.12 10.39 55.90 155.48 10.27 56.33 156.80 3 0 1000.00 -999 ? >SER^C 136 12.54 59.46 162.54 14.03 61.40 162.87 13.28 60.43 162.71 2 0 1000.00 -999 ? >GLN^C 137 8.20 62.96 165.29 7.35 63.01 167.23 7.78 62.99 166.26 2 0 1000.00 -999 ? >GLU^C 138 13.65 64.87 164.22 12.82 63.47 165.58 13.23 64.17 164.90 2 0 1000.00 -999 ? >ALA^C 139 11.56 63.39 158.96 12.27 62.17 158.41 11.91 62.78 158.69 2 0 1000.00 -999 ? >LEU^C 140 7.34 61.47 160.36 7.19 59.35 159.99 7.27 60.41 160.18 3 0 1000.00 -999 ? >LEU^C 141 7.44 66.76 161.52 6.02 66.29 163.09 6.73 66.53 162.30 3 0 1000.00 -999 ? >ALA^C 142 9.28 67.65 157.31 10.63 67.10 156.87 9.96 67.37 157.09 2 0 1000.00 -999 ? >MET?C 143 7.20 65.67 154.85 8.86 61.61 154.55 8.03 63.64 154.70 2 0 1000.00 -999 ? >TYR^C 144 3.99 62.96 155.41 5.07 61.13 153.57 4.53 62.04 154.49 3 0 1000.00 -999 ? >PRO^C 145 4.90 69.45 156.67 3.55 68.05 157.74 4.23 68.75 157.21 3 0 1000.00 -999 ? >GLN^C 146 -0.72 66.92 156.10 0.95 67.24 154.82 0.12 67.08 155.46 2 0 1000.00 -999 ? >HIS^C 147 -1.34 63.58 157.76 -2.18 63.37 155.85 -1.76 63.47 156.81 3 0 1000.00 -999 ? >LYS^C 148 1.26 66.29 162.71 1.99 69.64 167.21 1.62 67.97 164.96 2 0 1000.00 -999 ? >ALA^C 149 -1.27 64.85 165.20 -2.77 65.01 165.10 -2.02 64.93 165.15 2 0 1000.00 -999 ? >VAL^C 150 -1.24 61.18 164.24 -1.75 60.07 162.44 -1.50 60.62 163.34 3 0 1000.00 -999 ? >VAL^C 151 2.39 61.45 163.13 3.30 62.47 161.46 2.84 61.96 162.30 3 0 1000.00 -999 ? >GLN^C 152 3.43 64.47 166.63 3.30 66.37 167.59 3.36 65.42 167.11 2 0 1000.00 -999 ? >LYS^C 153 0.83 59.20 168.17 -2.57 63.60 168.12 -0.87 61.40 168.14 2 0 1000.00 -999 ? >LEU^C 154 2.21 56.08 165.02 0.34 55.00 165.05 1.28 55.54 165.04 3 0 1000.00 -999 ? >SER^C 155 6.45 58.13 166.51 6.38 58.79 164.17 6.41 58.46 165.34 2 0 1000.00 -999 ? >ARG^C 156 9.02 56.60 171.64 11.43 54.95 170.66 10.22 55.78 171.15 2 0 1000.00 -999 ? >PRO^C 157 10.90 62.83 170.99 10.94 61.83 169.00 10.92 62.33 170.00 3 0 1000.00 -999 ? >GLU^C 158 15.93 63.74 168.60 14.15 64.56 169.42 15.04 64.15 169.01 2 0 1000.00 -999 ? >MET?D 1 5.66 54.22 111.61 4.81 56.12 108.79 5.23 55.17 110.20 2 0 1000.00 -999 ? >GLN^D 2 6.00 48.83 108.66 5.26 47.85 110.41 5.63 48.34 109.53 2 0 1000.00 -999 ? >ASN^D 3 11.26 52.05 110.19 13.32 51.73 109.82 12.29 51.89 110.00 2 0 1000.00 -999 ? >ALA^D 4 12.46 49.90 106.39 13.39 50.61 105.42 12.92 50.26 105.90 2 0 1000.00 -999 ? >ASP^D 5 15.62 49.33 110.04 17.12 50.38 109.00 16.37 49.85 109.52 2 0 1000.00 -999 ? >ASP^D 6 10.37 47.67 111.11 10.40 49.09 112.69 10.38 48.38 111.90 2 0 1000.00 -999 ? >PHE^D 7 9.17 45.52 106.43 6.41 45.93 106.32 7.79 45.72 106.38 3 0 1000.00 -999 ? >ILE^D 8 15.93 44.48 106.91 16.70 44.51 107.29 16.31 44.50 107.10 3 0 1000.00 -999 ? >LYS^D 9 14.85 42.76 111.00 14.96 44.66 117.03 14.91 43.71 114.01 2 0 1000.00 -999 ? >PHE^D 10 9.90 42.44 112.88 9.31 43.95 115.17 9.61 43.19 114.03 3 0 1000.00 -999 ? >LEU^D 11 11.11 39.75 106.99 9.04 40.28 106.61 10.07 40.02 106.80 3 0 1000.00 -999 ? >GLU^D 12 14.60 36.58 110.66 14.58 34.57 111.30 14.59 35.58 110.98 2 0 1000.00 -999 ? >LEU^D 13 15.78 41.08 104.98 13.80 41.12 104.12 14.79 41.10 104.55 3 0 1000.00 -999 ? >GLU^D 14 19.84 36.39 104.62 21.06 36.27 106.32 20.45 36.33 105.47 2 0 1000.00 -999 ? >GLN^D 15 23.33 42.56 101.31 24.97 43.37 102.40 24.15 42.97 101.85 2 0 1000.00 -999 ? >HIS^D 16 19.20 39.25 96.29 18.19 37.86 95.08 18.70 38.55 95.68 3 0 1000.00 -999 ? >VAL^D 17 23.77 39.39 95.13 24.11 37.86 93.62 23.94 38.63 94.38 3 0 1000.00 -999 ? >GLU^D 18 19.13 41.28 92.76 17.55 40.04 92.15 18.34 40.66 92.45 2 0 1000.00 -999 ? >GLY^D 19 20.82 44.21 95.23 20.40 43.47 95.40 20.61 43.84 95.32 1 0 1000.00 -999 ? >GLY^D 20 18.38 44.86 98.04 19.01 44.33 98.04 18.70 44.59 98.04 1 0 1000.00 -999 ? >PHE^D 21 18.06 44.33 102.50 19.40 46.78 102.75 18.73 45.55 102.63 3 0 1000.00 -999 ? >TYR^D 22 17.20 37.21 99.58 18.93 35.06 99.95 18.07 36.14 99.76 3 0 1000.00 -999 ? >ARG^D 23 14.47 34.46 105.09 13.70 33.98 108.03 14.08 34.22 106.56 2 0 1000.00 -999 ? >SER^D 24 13.27 32.75 101.25 15.18 31.53 100.42 14.22 32.14 100.84 2 0 1000.00 -999 ? >SER^D 25 9.82 32.63 102.81 8.26 33.19 101.06 9.04 32.91 101.94 2 0 1000.00 -999 ? >TYR^D 26 6.48 29.64 102.75 5.12 30.51 105.05 5.80 30.08 103.90 3 0 1000.00 -999 ? >ARG^D 27 13.21 26.51 97.89 14.11 24.35 99.89 13.66 25.43 98.89 2 0 1000.00 -999 ? >SER^D 28 7.32 23.75 97.77 6.11 22.29 96.24 6.72 23.02 97.01 2 0 1000.00 -999 ? >GLU^D 29 7.80 20.61 101.74 6.46 20.55 103.37 7.13 20.58 102.56 2 0 1000.00 -999 ? >THR^D 30 6.88 18.63 96.00 4.96 18.41 95.05 5.92 18.52 95.52 2 0 1000.00 -999 ? >ALA^D 31 9.64 18.10 93.39 10.48 16.83 93.35 10.06 17.47 93.37 2 0 1000.00 -999 ? >PHE^D 32 9.78 21.37 88.23 9.44 22.39 85.63 9.61 21.88 86.93 3 0 1000.00 -999 ? >ASP^D 33 14.14 18.67 88.13 13.55 19.30 86.22 13.84 18.98 87.18 2 0 1000.00 -999 ? >PRO^D 34 16.19 14.52 88.71 15.26 15.92 90.17 15.73 15.22 89.44 3 0 1000.00 -999 ? >SER^D 35 16.83 19.03 91.80 17.52 19.95 89.67 17.17 19.49 90.73 2 0 1000.00 -999 ? >ARG^D 36 16.12 23.18 89.04 18.71 24.29 87.85 17.42 23.73 88.45 2 0 1000.00 -999 ? >GLN^D 37 12.29 22.09 96.01 11.66 20.05 96.18 11.97 21.07 96.10 2 0 1000.00 -999 ? >LEU^D 38 6.62 22.36 92.67 4.90 21.94 91.45 5.76 22.15 92.06 3 0 1000.00 -999 ? >TRP^D 39 5.11 25.65 94.42 5.52 27.73 97.74 5.32 26.69 96.08 3 0 1000.00 -999 ? >SER^D 40 10.16 29.07 95.44 12.13 29.90 94.26 11.14 29.49 94.85 2 0 1000.00 -999 ? >SER^D 41 8.86 32.38 96.83 7.12 33.75 97.82 7.99 33.07 97.32 2 0 1000.00 -999 ? >ILE^D 42 12.20 35.37 97.92 13.01 35.56 96.78 12.61 35.46 97.35 3 0 1000.00 -999 ? >TYR^D 43 9.56 38.19 102.62 7.38 37.55 104.25 8.47 37.87 103.44 3 0 1000.00 -999 ? >PHE^D 44 13.48 41.91 96.22 15.45 43.45 94.94 14.46 42.68 95.58 3 0 1000.00 -999 ? >LEU^D 45 13.30 44.65 101.62 13.33 46.31 103.01 13.31 45.48 102.32 3 0 1000.00 -999 ? >LEU^D 46 14.08 48.05 97.18 14.84 47.11 95.38 14.46 47.58 96.28 3 0 1000.00 -999 ? >ARG^D 47 18.25 51.53 103.49 20.86 50.14 104.31 19.55 50.83 103.90 2 0 1000.00 -999 ? >THR^D 48 16.65 54.35 99.19 16.55 56.32 100.02 16.60 55.34 99.61 2 0 1000.00 -999 ? >GLY^D 49 19.89 54.08 97.24 19.50 53.38 97.55 19.69 53.73 97.40 1 0 1000.00 -999 ? >GLU^D 50 19.30 49.67 98.79 20.86 48.26 98.67 20.08 48.97 98.73 2 0 1000.00 -999 ? >VAL^D 51 18.09 48.79 93.07 19.10 50.33 91.87 18.60 49.56 92.47 3 0 1000.00 -999 ? >SER^D 52 17.97 45.26 91.62 17.01 43.03 91.26 17.49 44.15 91.44 2 0 1000.00 -999 ? >HIS^D 53 22.57 45.79 90.23 23.39 46.99 91.74 22.98 46.39 90.98 3 0 1000.00 -999 ? >PHE^D 54 19.52 45.31 83.58 17.89 47.31 82.50 18.70 46.31 83.04 3 0 1000.00 -999 ? >HIS^D 55 18.43 39.56 87.98 16.51 39.67 88.82 17.47 39.61 88.40 3 0 1000.00 -999 ? >ARG^D 56 18.92 35.41 80.43 20.92 36.21 78.23 19.92 35.81 79.33 2 0 1000.00 -999 ? >LEU^D 57 14.88 34.25 85.78 14.99 35.19 87.73 14.93 34.72 86.75 3 0 1000.00 -999 ? >THR^D 58 15.54 30.56 83.48 17.00 29.00 83.11 16.27 29.78 83.30 2 0 1000.00 -999 ? >ALA^D 59 11.95 30.53 84.72 11.85 29.62 85.93 11.90 30.07 85.33 2 0 1000.00 -999 ? >ASP^D 60 7.62 32.73 84.70 7.36 32.98 82.63 7.49 32.85 83.67 2 0 1000.00 -999 ? >GLU^D 61 10.05 36.40 90.00 11.87 37.32 90.53 10.96 36.86 90.26 2 0 1000.00 -999 ? >MET?D 62 5.66 36.59 89.82 2.72 36.45 88.24 4.19 36.52 89.03 2 0 1000.00 -999 ? >TRP^D 63 8.49 39.72 89.90 11.05 42.45 91.12 9.77 41.08 90.51 3 0 1000.00 -999 ? >TYR^D 64 2.66 38.35 94.86 1.85 36.10 93.40 2.26 37.22 94.13 3 0 1000.00 -999 ? >PHE^D 65 3.39 46.65 96.20 4.47 48.92 97.44 3.93 47.78 96.82 3 0 1000.00 -999 ? >HIS^D 66 4.59 41.82 100.37 4.44 39.77 99.98 4.51 40.80 100.18 3 0 1000.00 -999 ? >ALA^D 67 4.10 47.63 101.07 4.05 47.47 102.60 4.07 47.55 101.83 2 0 1000.00 -999 ? >GLY^D 68 5.83 50.97 100.61 5.29 50.82 100.09 5.56 50.90 100.35 1 0 1000.00 -999 ? >GLN^D 69 8.21 55.09 97.51 7.22 55.76 99.30 7.72 55.43 98.40 2 0 1000.00 -999 ? >SER^D 70 5.73 51.53 94.14 5.12 53.42 92.75 5.43 52.47 93.45 2 0 1000.00 -999 ? >LEU^D 71 9.30 48.96 92.27 9.41 47.87 94.12 9.35 48.42 93.19 3 0 1000.00 -999 ? >THR^D 72 9.40 50.09 88.24 9.67 51.84 86.99 9.53 50.96 87.61 2 0 1000.00 -999 ? >ILE^D 73 9.67 45.56 86.63 9.23 44.36 87.13 9.45 44.96 86.88 3 0 1000.00 -999 ? >TYR^D 74 13.63 49.68 84.30 13.31 52.21 85.47 13.47 50.94 84.88 3 0 1000.00 -999 ? >MET?D 75 12.74 44.45 81.15 9.13 43.18 82.33 10.93 43.82 81.74 2 0 1000.00 -999 ? >ILE^D 76 16.24 44.62 78.08 17.20 45.70 77.74 16.72 45.16 77.91 3 0 1000.00 -999 ? >SER^D 77 13.86 41.38 75.41 13.17 42.37 73.29 13.51 41.88 74.35 2 0 1000.00 -999 ? >PRO^D 78 15.18 37.64 73.61 16.08 39.61 74.14 15.63 38.63 73.88 3 0 1000.00 -999 ? >GLU^D 79 14.13 39.78 69.39 13.38 38.36 70.80 13.76 39.07 70.10 2 0 1000.00 -999 ? >GLY^D 80 16.94 44.46 72.45 16.22 44.32 72.42 16.58 44.39 72.44 1 0 1000.00 -999 ? >GLU^D 81 11.14 46.70 72.45 9.20 45.81 72.47 10.17 46.25 72.46 2 0 1000.00 -999 ? >LEU^D 82 13.75 48.90 77.03 13.81 49.83 78.97 13.78 49.37 78.00 3 0 1000.00 -999 ? >THR^D 83 9.55 47.37 78.20 8.91 45.30 78.36 9.23 46.33 78.28 2 0 1000.00 -999 ? >THR^D 84 8.55 48.55 81.67 8.77 50.70 81.46 8.66 49.62 81.57 2 0 1000.00 -999 ? >ALA^D 85 5.97 47.91 84.38 5.92 46.40 84.56 5.94 47.15 84.47 2 0 1000.00 -999 ? >GLN^D 86 4.74 52.08 86.31 6.72 52.55 87.00 5.73 52.31 86.66 2 0 1000.00 -999 ? >LEU^D 87 5.44 46.52 90.87 5.02 44.67 91.84 5.23 45.60 91.36 3 0 1000.00 -999 ? >GLY^D 88 2.46 49.17 93.34 1.90 48.77 92.86 2.18 48.97 93.10 1 0 1000.00 -999 ? >LEU^D 89 -1.29 50.07 96.11 -1.48 48.30 97.35 -1.38 49.19 96.73 3 0 1000.00 -999 ? >ASP^D 90 -0.76 54.52 92.32 -1.72 56.18 91.36 -1.24 55.35 91.84 2 0 1000.00 -999 ? >LEU^D 91 -6.17 52.14 91.41 -6.51 50.18 92.28 -6.34 51.16 91.84 3 0 1000.00 -999 ? >ALA^D 92 -5.30 56.06 89.39 -5.08 57.35 90.19 -5.19 56.70 89.79 2 0 1000.00 -999 ? >ALA^D 93 -2.03 55.53 87.53 -0.70 56.05 88.08 -1.36 55.79 87.80 2 0 1000.00 -999 ? >GLY^D 94 -0.78 52.41 85.76 -0.47 52.69 86.47 -0.63 52.55 86.12 1 0 1000.00 -999 ? >GLU^D 95 2.10 52.08 90.34 2.51 53.57 91.80 2.30 52.83 91.07 2 0 1000.00 -999 ? >ARG^D 96 -2.87 46.74 87.05 -4.42 49.37 87.04 -3.64 48.06 87.04 2 0 1000.00 -999 ? >PRO^D 97 -2.28 45.65 93.24 -0.34 45.39 92.18 -1.31 45.52 92.71 3 0 1000.00 -999 ? >GLN^D 98 0.11 40.39 91.99 -1.52 39.06 92.06 -0.70 39.73 92.02 2 0 1000.00 -999 ? >PHE^D 99 4.41 42.94 85.97 5.04 43.43 83.29 4.73 43.19 84.63 3 0 1000.00 -999 ? >LEU^D 100 3.96 37.60 84.83 4.50 35.74 83.86 4.23 36.67 84.35 3 0 1000.00 -999 ? >VAL^D 101 8.36 38.97 84.47 10.16 39.09 85.69 9.26 39.03 85.08 3 0 1000.00 -999 ? >PRO^D 102 8.56 38.25 80.24 8.61 36.99 82.07 8.58 37.62 81.15 3 0 1000.00 -999 ? >LYS^D 103 11.75 34.08 81.67 9.95 28.60 79.20 10.85 31.34 80.43 2 0 1000.00 -999 ? >GLY^D 104 14.35 35.04 79.08 14.25 35.60 79.62 14.30 35.32 79.35 1 0 1000.00 -999 ? >CYH^D 105 14.47 38.82 79.36 12.56 39.80 81.15 13.52 39.31 80.26 2 0 1000.00 -999 ? >ILE^D 106 18.52 41.17 80.64 19.99 41.18 80.55 19.26 41.18 80.60 3 0 1000.00 -999 ? >PHE^D 107 13.94 41.18 85.13 13.56 39.09 86.96 13.75 40.13 86.04 3 0 1000.00 -999 ? >GLY^D 108 16.17 44.91 86.98 15.38 45.06 86.63 15.78 44.98 86.81 1 0 1000.00 -999 ? >SER^D 109 14.22 47.22 89.27 12.02 47.13 90.32 13.12 47.18 89.80 2 0 1000.00 -999 ? >ALA^D 110 14.38 50.38 91.32 15.32 51.37 90.65 14.85 50.87 90.98 2 0 1000.00 -999 ? >MET?D 111 11.96 52.38 93.45 12.77 52.08 97.56 12.36 52.22 95.50 2 0 1000.00 -999 ? >ASN^D 112 8.75 55.53 91.74 8.09 53.98 90.41 8.42 54.75 91.08 2 0 1000.00 -999 ? >GLN^D 113 8.47 58.98 94.91 6.84 57.78 94.24 7.66 58.38 94.57 2 0 1000.00 -999 ? >ASP^D 114 13.68 58.17 98.88 15.21 58.87 97.59 14.44 58.52 98.24 2 0 1000.00 -999 ? >GLY^D 115 12.21 55.06 101.40 12.65 54.68 100.79 12.43 54.87 101.09 1 0 1000.00 -999 ? >PHE^D 116 10.18 50.53 103.11 7.62 50.26 104.21 8.90 50.39 103.66 3 0 1000.00 -999 ? >SER^D 117 9.70 48.74 99.07 9.65 50.36 97.25 9.68 49.55 98.16 2 0 1000.00 -999 ? >LEU^D 118 8.39 44.99 101.70 8.61 43.11 102.74 8.50 44.05 102.22 3 0 1000.00 -999 ? >VAL^D 119 7.78 42.83 97.58 7.86 43.19 95.42 7.82 43.01 96.50 3 0 1000.00 -999 ? >GLY^D 120 7.21 39.09 97.29 7.32 39.60 96.57 7.27 39.34 96.93 1 0 1000.00 -999 ? >CYH^D 121 8.65 37.11 94.38 10.12 39.42 93.73 9.39 38.26 94.05 2 0 1000.00 -999 ? >MET?D 122 7.28 33.78 93.22 5.73 31.04 91.78 6.50 32.41 92.50 2 0 1000.00 -999 ? >VAL^D 123 9.62 32.06 90.74 11.79 31.78 90.93 10.71 31.92 90.83 3 0 1000.00 -999 ? >SER^D 124 7.90 28.79 89.78 6.45 27.31 88.56 7.17 28.05 89.17 2 0 1000.00 -999 ? >PRO^D 125 9.87 26.42 86.47 10.01 26.87 88.65 9.94 26.65 87.56 3 0 1000.00 -999 ? >GLY^D 126 12.30 26.39 92.14 12.53 26.58 91.43 12.41 26.49 91.79 1 0 1000.00 -999 ? >PHE^D 127 15.94 31.37 92.33 17.82 33.24 91.45 16.88 32.31 91.89 3 0 1000.00 -999 ? >THR^D 128 18.67 27.83 92.39 18.42 26.03 91.23 18.54 26.93 91.81 2 0 1000.00 -999 ? >PHE^D 129 22.68 30.99 93.07 21.96 33.01 94.87 22.32 32.00 93.97 3 0 1000.00 -999 ? >ASP^D 130 21.24 26.09 88.18 23.04 25.00 88.44 22.14 25.55 88.31 2 0 1000.00 -999 ? >ASP^D 131 17.16 29.39 87.29 16.64 27.35 87.14 16.90 28.37 87.22 2 0 1000.00 -999 ? >PHE^D 132 20.86 34.62 89.59 21.48 37.23 90.34 21.17 35.93 89.96 3 0 1000.00 -999 ? >GLU^D 133 23.79 35.37 83.43 24.17 34.32 81.64 23.98 34.84 82.53 2 0 1000.00 -999 ? >LEU^D 134 24.89 38.81 87.72 24.61 40.21 89.36 24.75 39.51 88.54 3 0 1000.00 -999 ? >PHE^D 135 23.68 40.08 82.12 22.10 37.87 81.51 22.89 38.98 81.82 3 0 1000.00 -999 ? >SER^D 136 28.31 43.48 83.90 30.06 42.46 82.58 29.19 42.97 83.24 2 0 1000.00 -999 ? >GLN^D 137 27.34 49.54 82.77 28.05 51.35 83.64 27.70 50.44 83.21 2 0 1000.00 -999 ? >GLU^D 138 32.31 47.23 78.64 34.22 46.40 78.20 33.27 46.81 78.42 2 0 1000.00 -999 ? >ALA^D 139 28.50 43.52 78.60 28.47 42.24 79.40 28.49 42.88 79.00 2 0 1000.00 -999 ? >LEU^D 140 24.28 45.36 80.14 22.99 44.09 81.30 23.63 44.73 80.72 3 0 1000.00 -999 ? >LEU^D 141 27.38 48.91 77.43 26.56 50.46 78.70 26.97 49.68 78.06 3 0 1000.00 -999 ? >ALA^D 142 27.71 45.97 73.88 28.57 44.73 74.00 28.14 45.35 73.94 2 0 1000.00 -999 ? >MET?D 143 24.24 44.57 73.34 24.05 40.99 75.84 24.15 42.78 74.59 2 0 1000.00 -999 ? >TYR^D 144 20.54 45.29 75.35 19.89 42.58 75.53 20.21 43.93 75.44 3 0 1000.00 -999 ? >PRO^D 145 24.94 49.24 71.97 23.36 49.80 73.42 24.15 49.52 72.70 3 0 1000.00 -999 ? >GLN^D 146 18.53 50.89 71.99 19.49 48.96 71.98 19.01 49.92 71.99 2 0 1000.00 -999 ? >HIS^D 147 17.72 50.49 75.94 16.18 49.82 74.67 16.95 50.15 75.31 3 0 1000.00 -999 ? >LYS^D 148 22.78 53.57 77.98 27.53 56.12 79.03 25.16 54.84 78.51 2 0 1000.00 -999 ? >ALA^D 149 20.69 55.45 80.52 19.48 56.31 80.21 20.09 55.88 80.36 2 0 1000.00 -999 ? >VAL^D 150 18.66 52.58 81.95 17.14 51.30 81.11 17.90 51.94 81.53 3 0 1000.00 -999 ? >VAL^D 151 21.50 50.10 81.44 22.22 48.98 79.73 21.86 49.54 80.58 3 0 1000.00 -999 ? >GLN^D 152 25.48 53.12 82.26 26.93 54.66 81.96 26.21 53.89 82.11 2 0 1000.00 -999 ? >LYS^D 153 20.93 52.82 86.31 16.72 55.92 88.35 18.82 54.37 87.33 2 0 1000.00 -999 ? >LEU^D 154 19.52 48.38 86.22 17.49 48.97 86.69 18.50 48.67 86.45 3 0 1000.00 -999 ? >SER^D 155 24.35 47.94 86.40 23.75 46.90 84.30 24.05 47.42 85.35 2 0 1000.00 -999 ? >ARG^D 156 26.75 44.69 89.51 25.77 43.45 92.15 26.26 44.07 90.83 2 0 1000.00 -999 ? >PRO^D 157 30.67 50.95 87.67 29.95 49.19 86.51 30.31 50.07 87.09 3 0 1000.00 -999 ? >GLU^D 158 32.25 45.50 83.49 33.33 44.58 81.90 32.79 45.04 82.70 2 0 1000.00 -999 ? >MET?E 1 47.37 23.92 172.93 44.81 21.60 172.24 46.09 22.76 172.59 2 0 1000.00 -999 ? >GLN^E 2 43.07 27.61 175.24 44.17 29.35 174.70 43.62 28.48 174.97 2 0 1000.00 -999 ? >ASN^E 3 46.20 23.58 179.02 45.99 22.39 180.76 46.09 22.98 179.89 2 0 1000.00 -999 ? >ALA^E 4 43.26 24.90 182.04 42.68 23.79 182.89 42.97 24.34 182.46 2 0 1000.00 -999 ? >ASP^E 5 47.78 25.57 183.57 47.85 24.59 185.43 47.82 25.08 184.50 2 0 1000.00 -999 ? >ASP^E 6 46.51 28.74 179.19 47.78 27.16 178.55 47.14 27.95 178.87 2 0 1000.00 -999 ? >PHE^E 7 41.34 29.50 180.09 40.31 29.01 177.52 40.83 29.26 178.80 3 0 1000.00 -999 ? >ILE^E 8 44.12 29.26 186.11 44.88 28.51 187.07 44.50 28.89 186.59 3 0 1000.00 -999 ? >LYS^E 9 47.21 32.19 184.52 53.45 31.19 183.86 50.33 31.69 184.19 2 0 1000.00 -999 ? >PHE^E 10 47.01 33.86 179.46 49.17 33.29 177.74 48.09 33.57 178.60 3 0 1000.00 -999 ? >LEU^E 11 41.66 34.57 183.38 40.57 34.44 181.50 41.11 34.50 182.44 3 0 1000.00 -999 ? >GLU^E 12 46.24 37.24 186.44 46.51 39.33 186.58 46.38 38.29 186.51 2 0 1000.00 -999 ? >LEU^E 13 41.38 31.88 187.72 40.22 32.14 185.92 40.80 32.01 186.82 3 0 1000.00 -999 ? >GLU^E 14 43.24 33.15 194.44 43.10 34.83 195.74 43.17 33.99 195.09 2 0 1000.00 -999 ? >GLN^E 15 41.15 26.45 194.23 42.33 24.83 194.92 41.74 25.64 194.57 2 0 1000.00 -999 ? >HIS^E 16 36.88 31.08 195.98 36.57 33.14 196.16 36.72 32.11 196.07 3 0 1000.00 -999 ? >VAL^E 17 37.47 26.53 199.04 36.72 26.65 201.08 37.10 26.59 200.06 3 0 1000.00 -999 ? >GLU^E 18 33.52 28.73 196.69 32.84 28.85 194.66 33.18 28.79 195.68 2 0 1000.00 -999 ? >GLY^E 19 35.71 24.76 194.65 35.53 25.57 194.69 35.62 25.17 194.67 1 0 1000.00 -999 ? >GLY^E 20 36.63 26.38 191.35 37.17 26.45 191.94 36.90 26.41 191.65 1 0 1000.00 -999 ? >PHE^E 21 40.66 27.56 189.61 42.06 25.32 190.52 41.36 26.44 190.06 3 0 1000.00 -999 ? >TYR^E 22 36.97 33.80 192.68 38.26 35.29 194.68 37.62 34.55 193.68 3 0 1000.00 -999 ? >ARG^E 23 40.33 38.08 187.54 42.21 39.93 189.16 41.27 39.01 188.35 2 0 1000.00 -999 ? >SER^E 24 36.18 39.16 189.01 35.72 39.67 191.32 35.95 39.42 190.16 2 0 1000.00 -999 ? >SER^E 25 36.05 40.44 185.41 33.87 39.64 184.79 34.96 40.04 185.10 2 0 1000.00 -999 ? >TYR^E 26 34.58 43.94 182.99 36.26 43.54 180.76 35.42 43.74 181.87 3 0 1000.00 -999 ? >ARG^E 27 31.69 45.99 191.71 33.41 48.55 191.34 32.55 47.27 191.52 2 0 1000.00 -999 ? >SER^E 28 28.90 48.08 187.44 26.61 48.94 187.28 27.76 48.51 187.36 2 0 1000.00 -999 ? >GLU^E 29 32.36 51.51 186.69 33.33 52.27 184.97 32.85 51.89 185.83 2 0 1000.00 -999 ? >THR^E 30 26.57 52.25 188.93 25.09 52.79 187.44 25.83 52.52 188.18 2 0 1000.00 -999 ? >ALA^E 31 25.07 51.08 192.23 25.74 51.63 193.47 25.40 51.35 192.85 2 0 1000.00 -999 ? >PHE^E 32 20.38 47.52 193.96 17.86 46.48 194.63 19.12 47.00 194.30 3 0 1000.00 -999 ? >ASP^E 33 22.74 49.07 198.26 20.83 48.27 197.95 21.78 48.67 198.10 2 0 1000.00 -999 ? >PRO^E 34 24.57 53.41 199.96 25.39 51.68 198.82 24.98 52.55 199.39 3 0 1000.00 -999 ? >SER^E 35 26.76 48.22 199.70 24.52 47.58 200.42 25.64 47.90 200.06 2 0 1000.00 -999 ? >ARG^E 36 23.39 43.81 198.27 22.18 41.93 200.38 22.79 42.87 199.33 2 0 1000.00 -999 ? >GLN^E 37 28.89 47.71 192.88 29.11 49.79 192.56 29.00 48.75 192.72 2 0 1000.00 -999 ? >LEU^E 38 24.19 48.16 188.79 22.45 48.97 187.80 23.32 48.56 188.29 3 0 1000.00 -999 ? >TRP^E 39 25.20 45.80 185.70 28.89 44.87 184.70 27.05 45.34 185.20 3 0 1000.00 -999 ? >SER^E 40 28.83 42.00 188.97 28.58 40.78 191.12 28.70 41.39 190.04 2 0 1000.00 -999 ? >SER^E 41 30.54 39.58 186.63 31.15 38.88 184.38 30.84 39.23 185.51 2 0 1000.00 -999 ? >ILE^E 42 33.32 36.47 188.60 32.50 36.02 189.76 32.91 36.25 189.18 3 0 1000.00 -999 ? >TYR^E 43 36.75 35.35 183.96 37.26 37.17 181.89 37.00 36.26 182.93 3 0 1000.00 -999 ? >PHE^E 44 33.35 29.31 188.29 32.59 27.13 189.89 32.97 28.22 189.09 3 0 1000.00 -999 ? >LEU^E 45 38.68 27.85 185.57 40.20 26.66 184.61 39.44 27.26 185.09 3 0 1000.00 -999 ? >LEU^E 46 35.63 23.46 186.31 34.07 23.64 187.81 34.85 23.55 187.06 3 0 1000.00 -999 ? >ARG^E 47 43.41 21.74 186.13 43.59 24.07 188.17 43.50 22.91 187.15 2 0 1000.00 -999 ? >THR^E 48 39.35 17.66 186.42 40.25 16.11 185.21 39.80 16.89 185.82 2 0 1000.00 -999 ? >GLY^E 49 39.57 17.28 190.20 39.29 17.96 189.87 39.43 17.62 190.04 1 0 1000.00 -999 ? >GLU^E 50 39.19 22.33 191.03 38.90 22.54 193.11 39.04 22.44 192.07 2 0 1000.00 -999 ? >VAL^E 51 33.77 20.86 191.41 33.61 18.81 192.15 33.69 19.83 191.78 3 0 1000.00 -999 ? >SER^E 52 31.69 23.72 192.81 30.24 25.68 192.82 30.96 24.70 192.82 2 0 1000.00 -999 ? >HIS^E 53 32.65 21.98 197.38 34.39 20.87 196.99 33.52 21.42 197.19 3 0 1000.00 -999 ? >PHE^E 54 25.37 21.10 196.97 24.23 19.38 195.10 24.80 20.24 196.04 3 0 1000.00 -999 ? >HIS^E 55 27.83 27.91 196.21 27.70 28.39 194.18 27.77 28.15 195.20 3 0 1000.00 -999 ? >ARG^E 56 20.75 29.91 199.92 19.47 28.64 202.38 20.11 29.27 201.15 2 0 1000.00 -999 ? >LEU^E 57 23.87 33.45 195.60 25.68 32.84 194.59 24.77 33.15 195.10 3 0 1000.00 -999 ? >THR^E 58 20.58 35.33 197.59 20.42 36.93 199.04 20.50 36.13 198.31 2 0 1000.00 -999 ? >ALA^E 59 20.61 36.72 194.07 21.54 37.93 194.01 21.08 37.33 194.04 2 0 1000.00 -999 ? >ASP^E 60 19.12 35.60 189.59 17.20 35.76 190.42 18.16 35.68 190.01 2 0 1000.00 -999 ? >GLU^E 61 25.72 33.31 189.26 26.90 32.14 190.54 26.31 32.73 189.90 2 0 1000.00 -999 ? >MET?E 62 23.54 33.96 185.03 20.87 34.26 182.96 22.21 34.11 183.99 2 0 1000.00 -999 ? >TRP^E 63 25.47 30.37 186.58 28.17 27.65 187.46 26.82 29.01 187.02 3 0 1000.00 -999 ? >TYR^E 64 27.09 34.29 180.10 25.06 36.18 180.45 26.07 35.23 180.28 3 0 1000.00 -999 ? >PHE^E 65 30.05 26.85 177.74 31.85 24.73 177.53 30.95 25.79 177.63 3 0 1000.00 -999 ? >HIS^E 66 33.53 32.42 178.90 32.62 34.15 179.66 33.08 33.28 179.28 3 0 1000.00 -999 ? >ALA^E 67 34.95 27.17 176.70 36.33 27.63 176.22 35.64 27.40 176.46 2 0 1000.00 -999 ? >GLY^E 68 36.00 23.70 177.75 35.30 23.83 177.34 35.65 23.77 177.55 1 0 1000.00 -999 ? >GLN^E 69 35.10 18.33 178.27 37.02 19.02 177.66 36.06 18.68 177.96 2 0 1000.00 -999 ? >SER^E 70 30.21 20.76 179.28 29.57 18.45 178.91 29.89 19.61 179.09 2 0 1000.00 -999 ? >LEU^E 71 29.40 22.31 183.49 31.01 23.74 183.27 30.21 23.02 183.38 3 0 1000.00 -999 ? >THR^E 72 26.00 19.85 184.85 25.19 17.83 184.96 25.59 18.84 184.91 2 0 1000.00 -999 ? >ILE^E 73 24.09 23.67 186.84 24.35 25.10 186.73 24.22 24.39 186.78 3 0 1000.00 -999 ? >TYR^E 74 24.19 18.13 189.93 25.65 16.42 188.29 24.92 17.27 189.11 3 0 1000.00 -999 ? >MET?E 75 20.58 22.42 192.30 19.71 24.92 188.91 20.15 23.67 190.61 2 0 1000.00 -999 ? >ILE^E 76 19.26 20.73 196.60 19.65 19.72 197.52 19.46 20.22 197.06 3 0 1000.00 -999 ? >SER^E 77 15.31 23.13 195.38 13.47 21.52 195.57 14.39 22.32 195.48 2 0 1000.00 -999 ? >PRO^E 78 13.29 26.46 197.33 14.55 24.72 197.96 13.92 25.59 197.65 3 0 1000.00 -999 ? >GLU^E 79 9.83 23.30 199.02 10.45 24.89 197.78 10.14 24.10 198.40 2 0 1000.00 -999 ? >GLY^E 80 14.48 19.21 198.86 14.21 19.51 198.21 14.34 19.36 198.53 1 0 1000.00 -999 ? >GLU^E 81 12.35 17.83 193.23 10.46 18.13 192.31 11.40 17.98 192.77 2 0 1000.00 -999 ? >LEU^E 82 18.07 16.94 193.40 20.10 17.01 192.66 19.08 16.98 193.03 3 0 1000.00 -999 ? >THR^E 83 16.70 19.52 189.57 15.40 21.19 189.90 16.05 20.35 189.73 2 0 1000.00 -999 ? >THR^E 84 19.52 20.01 187.03 20.04 17.93 186.90 19.78 18.97 186.96 2 0 1000.00 -999 ? >ALA^E 85 20.75 21.88 183.94 20.57 23.38 184.22 20.66 22.63 184.08 2 0 1000.00 -999 ? >GLN^E 86 22.94 18.72 180.38 24.96 18.06 180.20 23.95 18.39 180.29 2 0 1000.00 -999 ? >LEU^E 87 25.87 25.04 181.11 25.91 27.19 181.29 25.89 26.11 181.20 3 0 1000.00 -999 ? >GLY^E 88 27.23 23.84 176.76 26.49 24.16 176.57 26.86 24.00 176.67 1 0 1000.00 -999 ? >LEU^E 89 28.53 24.31 172.20 29.62 26.17 172.36 29.07 25.24 172.28 3 0 1000.00 -999 ? >ASP^E 90 26.63 19.31 172.53 25.71 17.60 171.70 26.17 18.46 172.11 2 0 1000.00 -999 ? >LEU^E 91 21.85 22.43 170.41 22.31 24.51 170.10 22.08 23.47 170.25 3 0 1000.00 -999 ? >ALA^E 92 21.39 17.97 170.36 22.27 17.06 169.50 21.83 17.52 169.93 2 0 1000.00 -999 ? >ALA^E 93 21.69 16.67 173.94 23.03 16.31 174.56 22.36 16.49 174.25 2 0 1000.00 -999 ? >GLY^E 94 19.84 19.68 175.33 20.65 19.76 175.24 20.25 19.72 175.29 1 0 1000.00 -999 ? >GLU^E 95 24.77 19.80 176.54 26.74 19.21 176.00 25.76 19.50 176.27 2 0 1000.00 -999 ? >ARG^E 96 19.14 25.83 175.24 18.69 23.45 173.36 18.91 24.64 174.30 2 0 1000.00 -999 ? >PRO^E 97 25.38 27.70 174.09 24.75 27.53 176.22 25.06 27.61 175.15 3 0 1000.00 -999 ? >GLN^E 98 23.93 32.28 178.02 23.16 34.10 177.18 23.54 33.19 177.60 2 0 1000.00 -999 ? >PHE^E 99 20.79 27.25 183.65 18.70 26.27 185.24 19.74 26.76 184.44 3 0 1000.00 -999 ? >LEU^E 100 18.68 31.92 184.77 17.59 33.10 186.22 18.14 32.51 185.49 3 0 1000.00 -999 ? >VAL^E 101 20.28 29.57 188.62 22.09 29.34 189.77 21.18 29.45 189.20 3 0 1000.00 -999 ? >PRO^E 102 16.57 28.98 190.65 17.97 30.69 190.41 17.27 29.83 190.53 3 0 1000.00 -999 ? >LYS^E 103 18.45 32.83 194.16 15.19 38.32 194.35 16.82 35.58 194.26 2 0 1000.00 -999 ? >GLY^E 104 17.62 30.80 197.24 18.05 30.42 196.66 17.84 30.61 196.95 1 0 1000.00 -999 ? >CYH^E 105 18.57 27.42 195.83 19.42 27.37 193.12 19.00 27.39 194.48 2 0 1000.00 -999 ? >ILE^E 106 21.44 24.40 198.25 21.62 24.08 199.61 21.53 24.24 198.93 3 0 1000.00 -999 ? >PHE^E 107 23.65 26.78 192.57 24.58 29.42 192.54 24.12 28.10 192.56 3 0 1000.00 -999 ? >GLY^E 108 26.61 23.27 192.86 26.03 23.30 192.14 26.32 23.28 192.50 1 0 1000.00 -999 ? >SER^E 109 28.23 21.91 189.74 29.01 22.80 187.63 28.62 22.35 188.68 2 0 1000.00 -999 ? >ALA^E 110 30.53 19.22 188.46 30.24 17.84 189.02 30.39 18.53 188.74 2 0 1000.00 -999 ? >MET?E 111 32.11 18.73 185.04 36.04 20.41 184.31 34.07 19.57 184.68 2 0 1000.00 -999 ? >ASN^E 112 29.82 16.63 181.43 27.95 17.20 182.30 28.89 16.91 181.87 2 0 1000.00 -999 ? >GLN^E 113 34.62 13.75 179.27 33.24 12.18 179.71 33.93 12.96 179.49 2 0 1000.00 -999 ? >ASP^E 114 39.02 14.39 182.02 38.93 13.05 183.63 38.98 13.72 182.83 2 0 1000.00 -999 ? >GLY^E 115 39.62 18.79 181.19 39.14 18.84 181.88 39.38 18.82 181.53 1 0 1000.00 -999 ? >PHE^E 116 39.89 23.81 179.89 40.27 24.31 177.16 40.08 24.06 178.53 3 0 1000.00 -999 ? >SER^E 117 35.73 24.64 181.27 34.44 23.42 182.99 35.08 24.03 182.13 2 0 1000.00 -999 ? >LEU^E 118 36.62 29.32 180.98 37.45 31.19 181.65 37.03 30.26 181.32 3 0 1000.00 -999 ? >VAL^E 119 32.42 30.05 182.62 30.83 28.89 183.51 31.62 29.47 183.06 3 0 1000.00 -999 ? >GLY^E 120 31.04 33.50 183.28 30.50 32.86 183.46 30.77 33.18 183.37 1 0 1000.00 -999 ? >CYH^E 121 28.68 34.21 186.11 29.41 31.73 187.11 29.04 32.97 186.61 2 0 1000.00 -999 ? >MET?E 122 26.70 37.40 186.55 24.19 39.88 185.93 25.44 38.64 186.24 2 0 1000.00 -999 ? >VAL^E 123 24.98 37.80 189.90 25.90 37.71 191.85 25.44 37.75 190.87 3 0 1000.00 -999 ? >SER^E 124 22.45 40.63 189.48 20.25 41.57 189.45 21.35 41.10 189.46 2 0 1000.00 -999 ? >PRO^E 125 20.40 42.01 193.19 22.30 42.35 192.03 21.35 42.18 192.61 3 0 1000.00 -999 ? >GLY^E 126 26.32 43.29 192.61 25.76 42.93 193.06 26.04 43.11 192.83 1 0 1000.00 -999 ? >PHE^E 127 28.96 38.14 194.86 29.78 36.29 196.79 29.37 37.21 195.83 3 0 1000.00 -999 ? >THR^E 128 28.76 40.80 198.16 27.35 42.37 198.70 28.06 41.59 198.43 2 0 1000.00 -999 ? >PHE^E 129 32.33 37.32 201.81 33.30 35.17 203.30 32.81 36.25 202.56 3 0 1000.00 -999 ? >ASP^E 130 27.00 39.38 203.44 26.37 38.94 205.42 26.69 39.16 204.43 2 0 1000.00 -999 ? >ASP^E 131 24.98 37.46 198.63 24.33 39.47 198.76 24.66 38.46 198.70 2 0 1000.00 -999 ? >PHE^E 132 29.46 32.45 199.13 30.73 30.00 198.62 30.10 31.22 198.88 3 0 1000.00 -999 ? >GLU^E 133 25.01 30.16 203.79 22.95 30.23 204.37 23.98 30.19 204.08 2 0 1000.00 -999 ? >LEU^E 134 30.19 27.41 202.08 31.58 26.08 201.12 30.89 26.74 201.60 3 0 1000.00 -999 ? >PHE^E 135 25.07 24.89 202.80 23.02 26.80 202.59 24.05 25.85 202.70 3 0 1000.00 -999 ? >SER^E 136 28.84 21.40 205.49 29.37 20.13 207.47 29.11 20.76 206.48 2 0 1000.00 -999 ? >GLN^E 137 29.46 15.73 202.92 31.10 14.47 202.41 30.28 15.10 202.67 2 0 1000.00 -999 ? >GLU^E 138 29.98 15.65 208.42 31.37 16.53 207.10 30.67 16.09 207.76 2 0 1000.00 -999 ? >ALA^E 139 25.12 19.06 207.29 25.41 20.55 207.38 25.26 19.80 207.34 2 0 1000.00 -999 ? >LEU^E 140 24.74 18.91 202.48 24.65 20.83 201.49 24.70 19.87 201.99 3 0 1000.00 -999 ? >LEU^E 141 24.57 13.98 205.06 25.73 13.02 203.51 25.15 13.50 204.29 3 0 1000.00 -999 ? >ALA^E 142 21.17 15.74 207.58 21.58 16.64 208.74 21.37 16.19 208.16 2 0 1000.00 -999 ? >MET?E 143 19.11 18.08 205.43 20.94 21.98 204.90 20.03 20.03 205.17 2 0 1000.00 -999 ? >TYR^E 144 18.43 18.65 201.19 17.54 21.30 201.16 17.99 19.97 201.17 3 0 1000.00 -999 ? >PRO^E 145 18.27 13.25 205.21 19.05 13.34 203.12 18.66 13.30 204.17 3 0 1000.00 -999 ? >GLN^E 146 16.19 13.18 199.16 15.81 14.38 200.87 16.00 13.78 200.01 2 0 1000.00 -999 ? >HIS^E 147 19.26 14.38 196.91 17.35 14.95 196.25 18.30 14.66 196.58 3 0 1000.00 -999 ? >LYS^E 148 23.63 11.06 199.88 26.70 6.82 201.91 25.16 8.94 200.90 2 0 1000.00 -999 ? >ALA^E 149 25.03 10.11 196.48 24.26 9.41 195.37 24.65 9.76 195.93 2 0 1000.00 -999 ? >VAL^E 150 25.38 13.55 194.93 24.04 15.22 194.54 24.71 14.39 194.73 3 0 1000.00 -999 ? >VAL^E 151 26.25 15.48 198.09 25.12 16.17 199.81 25.68 15.83 198.95 3 0 1000.00 -999 ? >GLN^E 152 28.88 10.79 199.70 30.23 9.15 199.91 29.56 9.97 199.81 2 0 1000.00 -999 ? >LYS^E 153 30.73 14.21 195.27 30.44 8.70 193.29 30.58 11.45 194.28 2 0 1000.00 -999 ? >LEU^E 154 28.64 18.42 194.95 28.58 18.54 192.80 28.61 18.48 193.87 3 0 1000.00 -999 ? >SER^E 155 30.73 18.35 199.40 28.39 18.91 199.79 29.56 18.63 199.60 2 0 1000.00 -999 ? >ARG^E 156 37.17 19.01 199.79 38.48 21.60 198.77 37.83 20.31 199.28 2 0 1000.00 -999 ? >PRO^E 157 36.00 15.06 204.07 34.15 16.29 204.24 35.08 15.68 204.15 3 0 1000.00 -999 ? >GLU^E 158 35.40 16.95 210.02 35.50 14.93 209.42 35.45 15.94 209.72 2 0 1000.00 -999 ? >MET?F 1 30.09 19.38 162.35 32.22 21.73 163.54 31.16 20.56 162.95 2 0 1000.00 -999 ? >GLN^F 2 27.10 23.05 166.37 27.52 23.37 168.43 27.31 23.21 167.40 2 0 1000.00 -999 ? >ASN^F 3 26.03 23.73 160.24 26.17 24.94 158.50 26.10 24.33 159.37 2 0 1000.00 -999 ? >ALA^F 4 26.01 27.82 162.07 26.52 29.02 161.29 26.26 28.42 161.68 2 0 1000.00 -999 ? >ASP^F 5 22.14 25.96 159.82 21.61 27.28 158.23 21.88 26.62 159.02 2 0 1000.00 -999 ? >ASP^F 6 23.28 23.56 164.74 23.93 22.16 163.30 23.60 22.86 164.02 2 0 1000.00 -999 ? >PHE^F 7 24.78 27.86 167.66 26.69 26.93 169.47 25.74 27.40 168.57 3 0 1000.00 -999 ? >ILE^F 8 20.44 30.28 163.21 20.09 30.53 161.87 20.26 30.40 162.54 3 0 1000.00 -999 ? >LYS^F 9 17.60 26.94 164.52 14.87 23.23 160.28 16.24 25.09 162.40 2 0 1000.00 -999 ? >PHE^F 10 19.09 22.93 167.98 18.92 20.21 167.39 19.01 21.57 167.69 3 0 1000.00 -999 ? >LEU^F 11 19.35 29.34 169.94 21.04 28.91 171.18 20.19 29.13 170.56 3 0 1000.00 -999 ? >GLU^F 12 13.70 28.15 168.72 12.13 27.81 170.05 12.91 27.98 169.39 2 0 1000.00 -999 ? >LEU^F 13 18.80 32.86 166.63 20.29 32.48 168.14 19.54 32.67 167.38 3 0 1000.00 -999 ? >GLU^F 14 13.11 35.10 165.85 11.57 36.06 166.87 12.34 35.58 166.36 2 0 1000.00 -999 ? >GLN^F 15 17.09 39.36 160.40 16.29 39.62 158.44 16.69 39.49 159.42 2 0 1000.00 -999 ? >HIS^F 16 19.32 41.95 166.63 19.45 43.13 168.36 19.39 42.54 167.50 3 0 1000.00 -999 ? >VAL^F 17 17.67 44.76 163.50 17.15 46.54 164.54 17.41 45.65 164.02 3 0 1000.00 -999 ? >GLU^F 18 21.96 44.79 166.35 23.00 45.00 168.19 22.48 44.89 167.27 2 0 1000.00 -999 ? >GLY^F 19 22.55 42.90 162.16 22.16 42.71 162.93 22.36 42.81 162.55 1 0 1000.00 -999 ? >GLY^F 20 23.01 39.22 162.94 22.31 39.57 162.80 22.66 39.39 162.87 1 0 1000.00 -999 ? >PHE^F 21 20.75 35.61 162.68 21.21 35.79 159.92 20.98 35.70 161.30 3 0 1000.00 -999 ? >TYR^F 22 18.17 38.71 169.00 15.65 39.93 169.08 16.91 39.32 169.04 3 0 1000.00 -999 ? >ARG^F 23 15.20 32.83 172.43 12.93 31.87 174.29 14.07 32.35 173.36 2 0 1000.00 -999 ? >SER^F 24 16.26 36.53 174.53 15.11 38.65 174.41 15.69 37.59 174.47 2 0 1000.00 -999 ? >SER^F 25 17.63 33.93 176.93 19.55 34.97 177.90 18.59 34.45 177.42 2 0 1000.00 -999 ? >TYR^F 26 17.35 33.26 181.43 17.74 30.48 181.36 17.55 31.87 181.40 3 0 1000.00 -999 ? >ARG^F 27 12.65 41.36 180.25 10.44 40.11 182.01 11.55 40.74 181.13 2 0 1000.00 -999 ? >SER^F 28 15.54 39.76 185.33 16.10 41.35 187.10 15.82 40.56 186.22 2 0 1000.00 -999 ? >GLU^F 29 12.71 36.33 187.91 10.71 36.13 187.25 11.71 36.23 187.58 2 0 1000.00 -999 ? >THR^F 30 13.35 42.20 189.72 14.33 42.22 191.63 13.84 42.21 190.67 2 0 1000.00 -999 ? >ALA^F 31 13.07 45.78 188.45 11.77 45.91 187.66 12.42 45.85 188.05 2 0 1000.00 -999 ? >PHE^F 32 16.04 50.15 187.91 18.75 49.80 187.38 17.40 49.98 187.64 3 0 1000.00 -999 ? >ASP^F 33 11.44 53.44 190.13 9.61 54.50 190.30 10.52 53.97 190.22 2 0 1000.00 -999 ? >PRO^F 34 7.11 50.48 189.81 8.76 50.83 188.36 7.94 50.66 189.09 3 0 1000.00 -999 ? >SER^F 35 9.91 51.28 184.40 10.52 53.44 185.34 10.22 52.36 184.87 2 0 1000.00 -999 ? >ARG^F 36 12.99 51.38 179.96 10.05 51.42 179.00 11.52 51.40 179.48 2 0 1000.00 -999 ? >GLN^F 37 12.24 43.45 184.44 10.45 44.53 184.92 11.35 43.99 184.68 2 0 1000.00 -999 ? >LEU^F 38 16.82 44.13 187.80 17.89 44.55 189.63 17.36 44.34 188.72 3 0 1000.00 -999 ? >TRP^F 39 19.25 41.13 186.59 19.12 37.87 184.39 19.19 39.50 185.49 3 0 1000.00 -999 ? >SER^F 40 18.33 41.10 180.73 17.97 42.89 179.15 18.15 42.00 179.94 2 0 1000.00 -999 ? >SER^F 41 20.41 38.57 178.77 22.09 36.79 178.60 21.25 37.68 178.69 2 0 1000.00 -999 ? >ILE^F 42 19.96 38.70 174.16 20.22 39.91 173.66 20.09 39.31 173.91 3 0 1000.00 -999 ? >TYR^F 43 21.44 33.04 173.01 21.21 30.92 174.82 21.33 31.98 173.92 3 0 1000.00 -999 ? >PHE^F 44 24.37 39.29 169.15 24.06 41.62 167.63 24.22 40.46 168.39 3 0 1000.00 -999 ? >LEU^F 45 24.24 33.73 166.02 24.66 32.25 164.52 24.45 32.99 165.27 3 0 1000.00 -999 ? >LEU^F 46 27.85 37.35 163.44 27.82 39.24 164.50 27.83 38.30 163.97 3 0 1000.00 -999 ? >ARG^F 47 24.31 32.69 157.54 21.26 32.58 157.07 22.78 32.63 157.30 2 0 1000.00 -999 ? >THR^F 48 29.75 35.17 157.47 31.09 33.90 156.33 30.42 34.54 156.90 2 0 1000.00 -999 ? >GLY^F 49 27.61 37.77 155.68 27.52 37.68 156.46 27.57 37.73 156.07 1 0 1000.00 -999 ? >GLU^F 50 24.41 38.63 159.15 23.09 40.29 159.16 23.75 39.46 159.15 2 0 1000.00 -999 ? >VAL^F 51 28.09 42.38 161.19 29.39 43.12 159.61 28.74 42.75 160.40 3 0 1000.00 -999 ? >SER^F 52 26.63 44.20 164.18 26.21 44.76 166.53 26.42 44.48 165.35 2 0 1000.00 -999 ? >HIS^F 53 24.97 46.99 160.26 24.98 45.59 158.68 24.97 46.29 159.47 3 0 1000.00 -999 ? >PHE^F 54 29.04 51.99 164.23 31.81 51.90 164.59 30.43 51.95 164.41 3 0 1000.00 -999 ? >HIS^F 55 24.24 49.10 168.17 25.04 47.47 169.22 24.64 48.29 168.70 3 0 1000.00 -999 ? >ARG^F 56 24.52 56.69 172.22 25.96 59.38 172.48 25.24 58.03 172.35 2 0 1000.00 -999 ? >LEU^F 57 22.78 50.74 174.65 22.73 48.91 173.53 22.75 49.83 174.09 3 0 1000.00 -999 ? >THR^F 58 22.58 54.29 177.39 21.05 55.78 177.15 21.81 55.04 177.27 2 0 1000.00 -999 ? >ALA^F 59 23.22 51.04 179.22 21.97 50.18 179.26 22.59 50.61 179.24 2 0 1000.00 -999 ? >ASP^F 60 26.82 48.50 181.17 27.53 50.18 182.22 27.17 49.34 181.69 2 0 1000.00 -999 ? >GLU^F 61 25.52 44.61 175.84 25.03 44.98 173.82 25.27 44.79 174.83 2 0 1000.00 -999 ? >MET?F 62 28.56 42.59 179.21 30.77 42.81 181.68 29.67 42.70 180.44 2 0 1000.00 -999 ? >TRP^F 63 28.85 43.03 174.79 28.84 42.46 170.90 28.85 42.75 172.85 3 0 1000.00 -999 ? >TYR^F 64 29.23 36.72 178.89 28.60 38.12 181.23 28.91 37.42 180.06 3 0 1000.00 -999 ? >PHE^F 65 33.85 33.84 172.30 34.53 32.31 170.04 34.19 33.08 171.17 3 0 1000.00 -999 ? >HIS^F 66 27.78 31.82 174.48 26.60 32.39 176.12 27.19 32.11 175.30 3 0 1000.00 -999 ? >ALA^F 67 31.67 29.87 170.49 30.85 28.57 170.34 31.26 29.22 170.42 2 0 1000.00 -999 ? >GLY^F 68 33.00 30.21 166.96 33.50 30.38 167.51 33.25 30.29 167.23 1 0 1000.00 -999 ? >GLN^F 69 36.20 32.66 163.19 35.70 30.64 162.69 35.95 31.65 162.94 2 0 1000.00 -999 ? >SER^F 70 36.57 35.70 167.71 38.93 35.82 167.16 37.75 35.76 167.43 2 0 1000.00 -999 ? >LEU^F 71 33.61 39.44 167.84 31.70 38.46 167.72 32.65 38.95 167.78 3 0 1000.00 -999 ? >THR^F 72 36.36 42.59 167.25 38.08 43.14 166.05 37.22 42.86 166.65 2 0 1000.00 -999 ? >ILE^F 73 33.77 44.98 170.51 32.75 44.62 171.47 33.26 44.80 170.99 3 0 1000.00 -999 ? >TYR^F 74 35.41 48.10 165.23 36.70 46.44 163.41 36.06 47.27 164.32 3 0 1000.00 -999 ? >MET?F 75 33.98 51.74 169.77 34.50 49.45 173.28 34.24 50.59 171.52 2 0 1000.00 -999 ? >ILE^F 76 33.06 55.91 167.64 33.15 56.56 166.32 33.11 56.24 166.98 3 0 1000.00 -999 ? >SER^F 77 33.78 57.47 172.20 35.79 58.83 172.03 34.78 58.15 172.11 2 0 1000.00 -999 ? >PRO^F 78 31.43 60.00 174.91 31.72 59.75 172.72 31.57 59.88 173.81 3 0 1000.00 -999 ? >GLU^F 79 36.40 63.57 172.89 35.57 64.94 174.27 35.99 64.26 173.58 2 0 1000.00 -999 ? >GLY^F 80 35.60 60.77 168.66 35.94 60.40 169.29 35.77 60.58 168.98 1 0 1000.00 -999 ? >GLU^F 81 40.11 57.23 171.13 40.95 57.01 173.07 40.53 57.12 172.10 2 0 1000.00 -999 ? >LEU^F 82 38.57 54.49 166.82 37.79 53.00 165.46 38.18 53.75 166.14 3 0 1000.00 -999 ? >THR^F 83 38.76 52.23 171.10 37.78 52.98 172.87 38.27 52.60 171.98 2 0 1000.00 -999 ? >THR^F 84 38.68 48.60 169.94 39.54 49.14 168.05 39.11 48.87 169.00 2 0 1000.00 -999 ? >ALA^F 85 38.34 45.40 171.99 37.16 45.16 172.92 37.75 45.28 172.45 2 0 1000.00 -999 ? >GLN^F 86 41.14 42.29 170.26 40.57 42.17 168.22 40.86 42.23 169.24 2 0 1000.00 -999 ? >LEU^F 87 35.00 39.17 172.13 33.56 39.17 173.73 34.28 39.17 172.93 3 0 1000.00 -999 ? >GLY^F 88 37.56 35.25 172.10 37.73 35.50 172.84 37.64 35.38 172.47 1 0 1000.00 -999 ? >LEU^F 89 39.01 30.96 173.26 37.10 30.24 173.96 38.06 30.60 173.61 3 0 1000.00 -999 ? >ASP^F 90 43.37 33.48 170.76 45.47 33.58 170.46 44.42 33.53 170.61 2 0 1000.00 -999 ? >LEU^F 91 44.47 33.47 176.74 42.85 33.09 178.13 43.66 33.28 177.44 3 0 1000.00 -999 ? >ALA^F 92 47.76 34.93 173.77 48.54 33.85 173.05 48.15 34.39 173.41 2 0 1000.00 -999 ? >ALA^F 93 46.61 37.14 170.88 45.66 36.69 169.77 46.14 36.91 170.32 2 0 1000.00 -999 ? >GLY^F 94 45.03 39.42 173.48 44.56 38.77 173.25 44.80 39.09 173.37 1 0 1000.00 -999 ? >GLU^F 95 41.01 37.24 170.82 41.11 35.57 169.53 41.06 36.40 170.17 2 0 1000.00 -999 ? >ARG^F 96 41.18 39.29 179.17 44.13 38.63 178.57 42.66 38.96 178.87 2 0 1000.00 -999 ? >PRO^F 97 37.83 34.58 178.62 37.06 36.17 177.25 37.44 35.38 177.93 3 0 1000.00 -999 ? >GLN^F 98 33.24 37.51 180.21 32.94 37.45 182.32 33.09 37.48 181.27 2 0 1000.00 -999 ? >PHE^F 99 35.04 44.16 176.23 36.15 46.70 175.79 35.59 45.43 176.01 3 0 1000.00 -999 ? >LEU^F 100 32.25 46.01 180.43 30.91 47.37 181.46 31.58 46.69 180.94 3 0 1000.00 -999 ? >VAL^F 101 30.93 48.21 176.58 30.14 47.06 174.95 30.53 47.64 175.76 3 0 1000.00 -999 ? >PRO^F 102 32.20 52.07 177.74 30.44 50.80 178.24 31.32 51.44 177.99 3 0 1000.00 -999 ? >LYS^F 103 26.88 53.24 178.17 25.13 56.02 183.61 26.00 54.63 180.89 2 0 1000.00 -999 ? >GLY^F 104 26.87 56.28 175.89 27.18 55.55 175.70 27.02 55.91 175.80 1 0 1000.00 -999 ? >CYH^F 105 29.58 54.58 173.86 31.15 52.39 172.99 30.37 53.48 173.42 2 0 1000.00 -999 ? >ILE^F 106 28.78 55.09 169.25 28.01 56.02 168.43 28.39 55.56 168.84 3 0 1000.00 -999 ? >PHE^F 107 29.01 48.89 171.05 26.80 47.88 172.42 27.91 48.39 171.73 3 0 1000.00 -999 ? >GLY^F 108 29.61 47.76 166.49 30.29 47.60 167.07 29.95 47.68 166.78 1 0 1000.00 -999 ? >SER^F 109 30.98 44.25 166.14 31.24 42.15 167.33 31.11 43.20 166.73 2 0 1000.00 -999 ? >ALA^F 110 32.53 42.21 163.37 33.22 43.08 162.34 32.87 42.65 162.85 2 0 1000.00 -999 ? >MET?F 111 34.04 38.76 163.15 31.43 35.57 162.22 32.73 37.17 162.68 2 0 1000.00 -999 ? >ASN^F 112 38.68 38.15 163.99 38.99 40.06 164.91 38.83 39.11 164.45 2 0 1000.00 -999 ? >GLN^F 113 39.48 34.10 160.35 40.07 32.06 160.52 39.77 33.08 160.43 2 0 1000.00 -999 ? >ASP^F 114 34.67 33.78 156.57 35.18 35.51 155.42 34.93 34.64 156.00 2 0 1000.00 -999 ? >GLY^F 115 32.23 31.60 159.79 31.97 32.43 159.88 32.10 32.02 159.83 1 0 1000.00 -999 ? >PHE^F 116 29.34 29.78 163.85 30.08 27.49 165.27 29.71 28.64 164.56 3 0 1000.00 -999 ? >SER^F 117 30.23 33.41 166.32 31.61 35.19 167.28 30.92 34.30 166.80 2 0 1000.00 -999 ? >LEU^F 118 27.28 31.38 169.57 25.31 31.19 170.44 26.29 31.28 170.01 3 0 1000.00 -999 ? >VAL^F 119 27.96 35.17 172.13 29.36 36.80 171.84 28.66 35.98 171.99 3 0 1000.00 -999 ? >GLY^F 120 25.74 36.28 175.02 26.38 36.83 174.78 26.06 36.55 174.90 1 0 1000.00 -999 ? >CYH^F 121 24.94 39.87 175.94 25.83 40.56 173.41 25.38 40.22 174.68 2 0 1000.00 -999 ? >MET?F 122 24.18 41.38 179.34 23.87 42.34 182.67 24.03 41.86 181.00 2 0 1000.00 -999 ? >VAL^F 123 22.74 44.91 179.44 21.40 45.08 177.73 22.07 45.00 178.58 3 0 1000.00 -999 ? >SER^F 124 23.13 46.48 182.89 23.17 48.69 183.90 23.15 47.59 183.39 2 0 1000.00 -999 ? >PRO^F 125 20.61 49.64 183.12 20.15 47.45 183.00 20.38 48.54 183.06 3 0 1000.00 -999 ? >GLY^F 126 16.52 45.58 181.65 16.88 46.25 181.45 16.70 45.91 181.55 1 0 1000.00 -999 ? >PHE^F 127 17.74 46.10 175.55 17.76 47.18 172.96 17.75 46.64 174.25 3 0 1000.00 -999 ? >THR^F 128 14.31 48.26 175.85 13.45 49.41 177.48 13.88 48.84 176.66 2 0 1000.00 -999 ? >PHE^F 129 14.02 48.05 170.65 14.80 45.58 169.59 14.41 46.82 170.12 3 0 1000.00 -999 ? >ASP^F 130 13.18 53.40 175.45 11.09 53.45 175.21 12.13 53.42 175.33 2 0 1000.00 -999 ? >ASP^F 131 17.78 51.95 176.62 19.52 52.65 177.66 18.65 52.30 177.14 2 0 1000.00 -999 ? >PHE^F 132 18.57 49.91 169.99 19.92 48.69 167.85 19.25 49.30 168.92 3 0 1000.00 -999 ? >GLU^F 133 20.10 56.39 169.05 21.13 57.99 170.02 20.62 57.19 169.53 2 0 1000.00 -999 ? >LEU^F 134 20.23 51.61 164.86 20.78 50.24 163.28 20.50 50.92 164.07 3 0 1000.00 -999 ? >PHE^F 135 23.78 56.58 165.04 23.31 57.48 167.64 23.55 57.03 166.34 3 0 1000.00 -999 ? >SER^F 136 23.46 54.87 159.36 22.19 56.62 158.26 22.83 55.74 158.81 2 0 1000.00 -999 ? >GLN^F 137 28.24 54.74 155.36 28.51 53.78 153.47 28.37 54.26 154.41 2 0 1000.00 -999 ? >GLU^F 138 23.84 59.08 154.46 23.48 57.08 153.84 23.66 58.08 154.15 2 0 1000.00 -999 ? >ALA^F 139 25.57 60.91 159.55 24.37 61.04 160.50 24.97 60.97 160.02 2 0 1000.00 -999 ? >LEU^F 140 28.20 57.09 160.99 27.24 55.89 162.51 27.72 56.49 161.75 3 0 1000.00 -999 ? >LEU^F 141 30.54 59.95 156.93 32.26 59.90 155.62 31.40 59.92 156.27 3 0 1000.00 -999 ? >ALA^F 142 29.68 63.77 159.10 28.27 64.28 159.25 28.98 64.02 159.18 2 0 1000.00 -999 ? >MET?F 143 30.56 63.35 162.74 27.26 61.79 165.10 28.91 62.57 163.92 2 0 1000.00 -999 ? >TYR^F 144 32.48 60.19 165.12 31.12 60.74 167.49 31.80 60.47 166.31 3 0 1000.00 -999 ? >PRO^F 145 34.35 63.88 159.90 34.84 61.74 160.25 34.60 62.81 160.08 3 0 1000.00 -999 ? >GLN^F 146 38.56 60.68 163.04 37.08 62.17 163.42 37.82 61.43 163.23 2 0 1000.00 -999 ? >HIS^F 147 37.84 57.02 163.75 39.16 57.49 165.32 38.50 57.25 164.53 3 0 1000.00 -999 ? >LYS^F 148 35.63 56.36 157.90 35.01 56.64 152.49 35.32 56.50 155.19 2 0 1000.00 -999 ? >ALA^F 149 37.24 53.06 156.89 38.69 52.69 157.14 37.96 52.88 157.02 2 0 1000.00 -999 ? >VAL^F 150 35.36 51.31 159.69 35.05 51.96 161.76 35.21 51.64 160.72 3 0 1000.00 -999 ? >VAL^F 151 31.96 53.03 159.55 31.34 55.02 160.13 31.65 54.03 159.84 3 0 1000.00 -999 ? >GLN^F 152 32.79 53.51 154.46 34.48 53.81 153.20 33.63 53.66 153.83 2 0 1000.00 -999 ? >LYS^F 153 31.65 48.09 156.72 36.51 50.00 154.64 34.08 49.05 155.68 2 0 1000.00 -999 ? >LEU^F 154 30.69 48.69 161.40 31.93 47.24 162.41 31.31 47.97 161.91 3 0 1000.00 -999 ? >SER^F 155 26.95 50.25 158.61 26.13 52.54 158.74 26.54 51.39 158.68 2 0 1000.00 -999 ? >ARG^F 156 23.14 47.15 155.06 20.38 47.39 156.37 21.76 47.27 155.71 2 0 1000.00 -999 ? >PRO^F 157 24.62 52.21 151.50 24.35 52.99 153.58 24.49 52.60 152.54 3 0 1000.00 -999 ? >GLU^F 158 19.98 55.28 150.50 21.85 55.24 149.49 20.91 55.26 149.99 2 0 1000.00 -999 ? >MET?G 1 22.29 12.02 115.13 26.11 10.99 116.79 24.20 11.50 115.96 2 0 1000.00 -999 ? >GLN^G 2 23.29 17.75 114.84 24.24 18.83 116.41 23.77 18.29 115.62 2 0 1000.00 -999 ? >ASN^G 3 22.74 15.03 108.91 23.66 14.88 106.99 23.20 14.95 107.95 2 0 1000.00 -999 ? >ALA^G 4 24.19 19.04 108.21 24.88 19.23 106.86 24.54 19.13 107.53 2 0 1000.00 -999 ? >ASP^G 5 19.55 17.82 107.66 20.20 16.64 106.05 19.88 17.23 106.86 2 0 1000.00 -999 ? >ASP^G 6 20.43 19.07 112.67 20.07 17.00 112.41 20.25 18.04 112.54 2 0 1000.00 -999 ? >PHE^G 7 24.58 22.40 111.96 26.20 21.64 114.09 25.39 22.02 113.03 3 0 1000.00 -999 ? >ILE^G 8 20.87 23.62 106.53 20.34 23.19 105.32 20.60 23.40 105.92 3 0 1000.00 -999 ? >LYS^G 9 17.35 23.71 109.38 12.71 19.48 110.65 15.03 21.60 110.01 2 0 1000.00 -999 ? >PHE^G 10 17.66 23.49 115.02 15.98 22.22 116.86 16.82 22.85 115.94 3 0 1000.00 -999 ? >LEU^G 11 21.87 27.47 111.76 23.43 27.12 113.23 22.65 27.29 112.50 3 0 1000.00 -999 ? >GLU^G 12 16.30 29.54 110.98 15.34 31.30 111.71 15.82 30.42 111.34 2 0 1000.00 -999 ? >LEU^G 13 21.84 27.52 106.49 23.72 27.60 107.54 22.78 27.56 107.01 3 0 1000.00 -999 ? >GLU^G 14 19.37 32.26 103.57 17.63 32.94 102.55 18.50 32.60 103.06 2 0 1000.00 -999 ? >GLN^G 15 22.07 27.30 97.80 20.91 26.54 96.19 21.49 26.92 97.00 2 0 1000.00 -999 ? >HIS^G 16 27.20 31.95 99.80 28.09 33.85 99.83 27.64 32.90 99.82 3 0 1000.00 -999 ? >VAL^G 17 25.87 31.48 95.43 26.28 33.33 94.38 26.08 32.40 94.90 3 0 1000.00 -999 ? >GLU^G 18 30.84 31.10 98.06 31.95 32.39 99.33 31.40 31.74 98.69 2 0 1000.00 -999 ? >GLY^G 19 28.70 27.33 96.40 28.72 27.86 97.03 28.71 27.59 96.72 1 0 1000.00 -999 ? >GLY^G 20 27.58 26.27 99.85 26.98 26.74 99.45 27.28 26.50 99.65 1 0 1000.00 -999 ? >PHE^G 21 23.68 25.33 101.88 22.77 23.71 99.78 23.23 24.52 100.83 3 0 1000.00 -999 ? >TYR^G 22 25.08 32.66 103.38 23.49 34.60 102.14 24.29 33.63 102.76 3 0 1000.00 -999 ? >ARG^G 23 20.26 32.11 109.39 20.29 34.60 111.22 20.27 33.35 110.31 2 0 1000.00 -999 ? >SER^G 24 24.17 36.34 108.11 24.09 38.75 108.27 24.13 37.54 108.19 2 0 1000.00 -999 ? >SER^G 25 24.77 35.98 111.86 26.45 34.22 112.05 25.61 35.10 111.96 2 0 1000.00 -999 ? >TYR^G 26 25.19 38.88 115.48 24.33 37.16 117.50 24.76 38.02 116.49 3 0 1000.00 -999 ? >ARG^G 27 26.58 43.52 107.98 23.96 42.06 107.28 25.27 42.79 107.63 2 0 1000.00 -999 ? >SER^G 28 28.05 45.64 113.41 29.74 47.22 114.11 28.89 46.43 113.76 2 0 1000.00 -999 ? >GLU^G 29 24.22 47.48 115.21 22.68 47.40 116.65 23.45 47.44 115.93 2 0 1000.00 -999 ? >THR^G 30 28.85 51.38 113.54 29.81 51.10 115.46 29.33 51.24 114.50 2 0 1000.00 -999 ? >ALA^G 31 30.81 51.77 110.30 29.89 52.08 109.11 30.35 51.93 109.70 2 0 1000.00 -999 ? >PHE^G 32 36.24 51.76 107.33 38.79 52.43 106.36 37.51 52.10 106.85 3 0 1000.00 -999 ? >ASP^G 33 33.19 55.02 105.28 33.62 53.21 104.27 33.41 54.11 104.77 2 0 1000.00 -999 ? >PRO^G 34 28.95 57.55 106.33 29.38 55.47 105.66 29.17 56.51 106.00 3 0 1000.00 -999 ? >SER^G 35 29.36 52.92 102.61 31.76 52.78 102.31 30.56 52.85 102.46 2 0 1000.00 -999 ? >ARG^G 36 31.98 48.38 101.77 34.75 48.30 100.43 33.36 48.34 101.10 2 0 1000.00 -999 ? >GLN^G 37 27.35 47.82 108.57 27.19 49.14 110.21 27.27 48.48 109.39 2 0 1000.00 -999 ? >LEU^G 38 32.13 47.90 112.12 33.49 49.17 113.25 32.81 48.53 112.68 3 0 1000.00 -999 ? >TRP^G 39 32.17 44.39 113.95 29.41 41.65 114.58 30.79 43.02 114.27 3 0 1000.00 -999 ? >SER^G 40 29.77 41.09 109.30 30.32 41.26 106.94 30.04 41.17 108.12 2 0 1000.00 -999 ? >SER^G 41 29.84 37.58 110.77 29.64 35.91 112.52 29.74 36.74 111.65 2 0 1000.00 -999 ? >ILE^G 42 27.98 35.06 107.38 28.55 35.67 106.20 28.26 35.37 106.79 3 0 1000.00 -999 ? >TYR^G 43 26.05 30.45 111.03 25.18 30.64 113.69 25.61 30.54 112.36 3 0 1000.00 -999 ? >PHE^G 44 30.42 29.18 104.37 31.11 28.77 101.68 30.76 28.98 103.03 3 0 1000.00 -999 ? >LEU^G 45 27.03 24.50 106.11 26.32 22.58 106.80 26.68 23.54 106.46 3 0 1000.00 -999 ? >LEU^G 46 31.50 22.53 103.21 32.73 23.60 101.79 32.11 23.07 102.50 3 0 1000.00 -999 ? >ARG^G 47 24.10 18.96 101.62 21.85 21.01 102.00 22.97 19.98 101.81 2 0 1000.00 -999 ? >THR^G 48 29.03 16.08 101.12 28.40 14.08 101.63 28.71 15.08 101.37 2 0 1000.00 -999 ? >GLY^G 49 29.05 17.43 97.57 28.97 18.04 98.15 29.01 17.74 97.86 1 0 1000.00 -999 ? >GLU^G 50 27.81 21.73 99.29 27.14 22.62 97.50 27.47 22.18 98.39 2 0 1000.00 -999 ? >VAL^G 51 33.02 23.32 97.50 33.61 22.20 95.74 33.31 22.76 96.62 3 0 1000.00 -999 ? >SER^G 52 33.60 27.06 97.73 33.95 29.14 98.95 33.78 28.10 98.34 2 0 1000.00 -999 ? >HIS^G 53 32.31 27.31 92.73 31.36 25.48 92.30 31.84 26.40 92.52 3 0 1000.00 -999 ? >PHE^G 54 39.08 29.35 92.92 40.87 27.25 93.41 39.97 28.30 93.17 3 0 1000.00 -999 ? >HIS^G 55 34.93 33.51 97.07 35.03 32.69 99.00 34.98 33.10 98.03 3 0 1000.00 -999 ? >ARG^G 56 39.98 39.96 94.44 40.58 40.34 91.47 40.28 40.15 92.96 2 0 1000.00 -999 ? >LEU^G 57 36.57 39.89 99.85 35.81 38.07 100.68 36.19 38.98 100.26 3 0 1000.00 -999 ? >THR^G 58 37.62 43.96 98.87 36.51 45.49 97.80 37.07 44.72 98.34 2 0 1000.00 -999 ? >ALA^G 59 38.36 42.96 102.49 37.15 43.38 103.31 37.75 43.17 102.90 2 0 1000.00 -999 ? >ASP^G 60 40.96 40.94 106.04 42.75 41.88 105.43 41.86 41.41 105.73 2 0 1000.00 -999 ? >GLU^G 61 36.52 35.79 105.50 35.46 35.00 103.88 35.99 35.39 104.69 2 0 1000.00 -999 ? >MET?G 62 38.53 35.45 109.43 41.21 36.09 111.57 39.87 35.77 110.50 2 0 1000.00 -999 ? >TRP^G 63 37.82 32.40 106.20 36.21 29.45 104.15 37.01 30.92 105.17 3 0 1000.00 -999 ? >TYR^G 64 36.21 32.61 114.04 37.36 35.08 114.70 36.79 33.84 114.37 3 0 1000.00 -999 ? >PHE^G 65 36.56 24.24 112.51 35.63 21.68 111.88 36.10 22.96 112.20 3 0 1000.00 -999 ? >HIS^G 66 31.13 27.27 113.90 30.79 29.31 114.25 30.96 28.29 114.08 3 0 1000.00 -999 ? >ALA^G 67 32.01 21.63 113.78 30.74 21.25 114.51 31.38 21.44 114.14 2 0 1000.00 -999 ? >GLY^G 68 32.06 18.88 111.18 32.75 19.05 111.61 32.40 18.96 111.39 1 0 1000.00 -999 ? >GLN^G 69 35.85 15.95 107.41 35.27 14.23 108.57 35.56 15.09 107.99 2 0 1000.00 -999 ? >SER^G 70 38.20 19.80 108.93 39.18 19.08 111.05 38.69 19.44 109.99 2 0 1000.00 -999 ? >LEU^G 71 37.54 23.23 105.58 35.47 23.72 105.29 36.51 23.47 105.44 3 0 1000.00 -999 ? >THR^G 72 41.00 23.02 103.48 42.16 21.41 102.64 41.58 22.21 103.06 2 0 1000.00 -999 ? >ILE^G 73 41.59 27.57 102.77 41.00 28.61 103.54 41.30 28.09 103.15 3 0 1000.00 -999 ? >TYR^G 74 42.56 24.69 97.69 42.35 22.01 98.49 42.46 23.35 98.09 3 0 1000.00 -999 ? >MET?G 75 44.46 30.52 97.60 44.88 31.74 101.68 44.67 31.13 99.64 2 0 1000.00 -999 ? >ILE^G 76 45.34 31.89 93.32 45.08 31.90 92.03 45.21 31.90 92.68 3 0 1000.00 -999 ? >SER^G 77 47.91 35.63 94.47 50.27 35.17 94.18 49.09 35.40 94.33 2 0 1000.00 -999 ? >PRO^G 78 48.31 39.80 93.43 47.79 37.92 92.35 48.05 38.86 92.89 3 0 1000.00 -999 ? >GLU^G 79 52.95 38.38 91.55 51.89 39.76 92.77 52.42 39.07 92.16 2 0 1000.00 -999 ? >GLY^G 80 49.87 33.21 90.67 50.28 33.41 91.32 50.07 33.31 91.00 1 0 1000.00 -999 ? >GLU^G 81 52.69 31.86 96.04 53.71 33.13 97.40 53.20 32.50 96.72 2 0 1000.00 -999 ? >LEU^G 82 48.90 27.58 94.15 47.27 26.14 94.32 48.08 26.86 94.23 3 0 1000.00 -999 ? >THR^G 83 49.10 28.38 98.86 49.25 30.39 99.64 49.17 29.38 99.25 2 0 1000.00 -999 ? >THR^G 84 47.04 26.06 101.04 47.43 24.48 99.64 47.24 25.27 100.34 2 0 1000.00 -999 ? >ALA^G 85 45.91 25.83 104.65 45.49 27.19 105.17 45.70 26.51 104.91 2 0 1000.00 -999 ? >GLN^G 86 45.70 21.72 106.38 44.46 20.62 105.06 45.08 21.17 105.72 2 0 1000.00 -999 ? >LEU^G 87 40.12 25.57 108.64 38.82 27.03 109.54 39.47 26.30 109.09 3 0 1000.00 -999 ? >GLY^G 88 40.04 22.32 112.05 40.53 22.81 112.41 40.28 22.56 112.23 1 0 1000.00 -999 ? >LEU^G 89 38.87 20.43 116.26 36.98 21.41 116.62 37.92 20.92 116.44 3 0 1000.00 -999 ? >ASP^G 90 43.20 17.68 113.88 44.92 16.44 114.09 44.06 17.06 113.98 2 0 1000.00 -999 ? >LEU^G 91 46.28 21.25 117.63 45.06 22.74 118.61 45.67 21.99 118.12 3 0 1000.00 -999 ? >ALA^G 92 48.19 17.55 115.69 47.61 16.14 115.70 47.90 16.84 115.69 2 0 1000.00 -999 ? >ALA^G 93 48.43 18.28 111.97 47.48 17.69 110.92 47.96 17.98 111.44 2 0 1000.00 -999 ? >GLY^G 94 48.71 21.72 110.38 48.01 21.37 110.61 48.36 21.55 110.50 1 0 1000.00 -999 ? >GLU^G 95 43.56 20.52 110.14 42.54 18.69 110.46 43.05 19.60 110.30 2 0 1000.00 -999 ? >ARG^G 96 47.09 25.71 113.85 49.12 23.94 115.30 48.11 24.83 114.58 2 0 1000.00 -999 ? >PRO^G 97 41.09 25.39 116.47 41.17 26.15 114.39 41.13 25.77 115.43 3 0 1000.00 -999 ? >GLN^G 98 40.22 31.12 115.30 40.52 32.70 116.67 40.37 31.91 115.98 2 0 1000.00 -999 ? >PHE^G 99 43.64 30.22 107.94 45.60 30.47 105.94 44.62 30.34 106.94 3 0 1000.00 -999 ? >LEU^G 100 43.49 35.53 108.81 44.15 37.42 108.04 43.82 36.47 108.42 3 0 1000.00 -999 ? >VAL^G 101 42.60 34.87 104.37 40.96 34.39 103.06 41.78 34.63 103.71 3 0 1000.00 -999 ? >PRO^G 102 45.56 36.89 102.03 43.83 37.53 103.26 44.70 37.21 102.64 3 0 1000.00 -999 ? >LYS^G 103 42.00 40.68 100.91 43.08 46.71 102.50 42.54 43.69 101.70 2 0 1000.00 -999 ? >GLY^G 104 42.84 40.58 97.21 42.65 39.87 97.63 42.75 40.22 97.42 1 0 1000.00 -999 ? >CYH^G 105 43.34 36.85 97.50 43.72 34.33 98.78 43.53 35.59 98.14 2 0 1000.00 -999 ? >ILE^G 106 41.26 34.79 93.67 40.73 35.21 92.38 40.99 35.00 93.02 3 0 1000.00 -999 ? >PHE^G 107 39.83 32.63 99.47 38.04 34.29 100.86 38.93 33.46 100.17 3 0 1000.00 -999 ? >GLY^G 108 38.31 28.51 97.46 38.85 28.60 98.14 38.58 28.56 97.80 1 0 1000.00 -999 ? >SER^G 109 37.65 25.73 99.97 36.89 25.71 102.27 37.27 25.72 101.12 2 0 1000.00 -999 ? >ALA^G 110 36.69 22.07 100.23 36.96 21.56 98.81 36.82 21.81 99.52 2 0 1000.00 -999 ? >MET?G 111 36.57 19.48 103.02 32.48 18.72 103.91 34.53 19.10 103.46 2 0 1000.00 -999 ? >ASN^G 112 40.42 16.63 103.59 41.58 18.41 103.57 41.00 17.52 103.58 2 0 1000.00 -999 ? >GLN^G 113 36.28 12.15 105.42 36.95 10.72 104.02 36.61 11.44 104.72 2 0 1000.00 -999 ? >ASP^G 114 32.23 12.18 103.49 32.69 11.35 101.59 32.46 11.77 102.54 2 0 1000.00 -999 ? >GLY^G 115 30.23 14.33 106.41 30.36 14.75 105.69 30.30 14.54 106.05 1 0 1000.00 -999 ? >PHE^G 116 28.48 18.34 108.52 28.15 18.13 111.29 28.32 18.24 109.90 3 0 1000.00 -999 ? >SER^G 117 31.60 21.29 107.96 33.69 20.39 107.06 32.65 20.84 107.51 2 0 1000.00 -999 ? >LEU^G 118 29.46 24.37 110.74 27.75 25.68 110.95 28.60 25.02 110.84 3 0 1000.00 -999 ? >VAL^G 119 32.43 27.80 109.79 34.30 27.97 108.68 33.36 27.88 109.24 3 0 1000.00 -999 ? >GLY^G 120 31.63 31.33 110.95 32.40 31.25 110.60 32.02 31.29 110.77 1 0 1000.00 -999 ? >CYH^G 121 33.22 33.89 108.64 33.62 32.06 106.66 33.42 32.97 107.65 2 0 1000.00 -999 ? >MET?G 122 33.64 37.54 109.58 35.72 39.97 111.21 34.68 38.75 110.39 2 0 1000.00 -999 ? >VAL^G 123 35.05 40.05 107.09 33.77 39.66 105.38 34.41 39.86 106.23 3 0 1000.00 -999 ? >SER^G 124 37.17 43.21 107.47 38.86 44.74 106.64 38.01 43.98 107.05 2 0 1000.00 -999 ? >PRO^G 125 36.40 47.24 105.92 35.28 45.59 106.90 35.84 46.42 106.41 3 0 1000.00 -999 ? >GLY^G 126 31.00 45.24 107.07 31.50 45.37 106.45 31.25 45.31 106.76 1 0 1000.00 -999 ? >PHE^G 127 30.24 40.96 102.63 29.93 39.74 100.11 30.08 40.35 101.37 3 0 1000.00 -999 ? >THR^G 128 28.33 44.22 101.08 28.58 46.17 100.18 28.46 45.19 100.63 2 0 1000.00 -999 ? >PHE^G 129 26.44 40.44 97.58 26.05 37.78 98.35 26.25 39.11 97.97 3 0 1000.00 -999 ? >ASP^G 130 29.85 46.71 96.25 27.96 47.63 96.35 28.91 47.17 96.30 2 0 1000.00 -999 ? >ASP^G 131 33.14 43.45 98.82 33.17 45.34 99.76 33.16 44.39 99.29 2 0 1000.00 -999 ? >PHE^G 132 31.00 37.71 96.22 31.18 34.97 95.63 31.09 36.34 95.92 3 0 1000.00 -999 ? >GLU^G 133 35.32 39.66 91.28 36.89 41.03 90.86 36.10 40.35 91.07 2 0 1000.00 -999 ? >LEU^G 134 31.93 34.46 91.75 31.66 32.31 91.76 31.79 33.39 91.75 3 0 1000.00 -999 ? >PHE^G 135 37.06 35.42 89.25 37.91 37.77 90.52 37.49 36.60 89.88 3 0 1000.00 -999 ? >SER^G 136 34.47 31.81 85.48 33.96 31.34 83.14 34.21 31.57 84.31 2 0 1000.00 -999 ? >GLN^G 137 36.20 25.83 86.14 37.01 24.68 84.54 36.60 25.26 85.34 2 0 1000.00 -999 ? >GLU^G 138 35.54 28.16 80.69 34.46 28.50 78.91 35.00 28.33 79.80 2 0 1000.00 -999 ? >ALA^G 139 38.81 32.42 82.98 37.94 33.58 83.48 38.37 33.00 83.23 2 0 1000.00 -999 ? >LEU^G 140 39.74 30.50 87.35 38.82 31.68 88.90 39.28 31.09 88.13 3 0 1000.00 -999 ? >LEU^G 141 41.33 27.39 83.17 42.05 25.36 82.95 41.69 26.37 83.06 3 0 1000.00 -999 ? >ALA^G 142 43.18 31.22 81.38 42.25 32.28 80.81 42.71 31.75 81.09 2 0 1000.00 -999 ? >MET?G 143 44.88 33.30 84.06 41.63 35.48 85.97 43.25 34.39 85.01 2 0 1000.00 -999 ? >TYR^G 144 46.30 32.62 87.95 45.57 35.23 88.71 45.94 33.93 88.33 3 0 1000.00 -999 ? >PRO^G 145 48.19 28.69 82.59 46.73 28.42 84.24 47.46 28.56 83.41 3 0 1000.00 -999 ? >GLN^G 146 50.26 26.70 87.01 50.12 28.55 85.97 50.19 27.62 86.49 2 0 1000.00 -999 ? >HIS^G 147 47.69 26.58 90.09 49.11 27.98 90.74 48.40 27.28 90.41 3 0 1000.00 -999 ? >LYS^G 148 44.31 22.78 86.71 42.96 18.44 83.52 43.64 20.61 85.11 2 0 1000.00 -999 ? >ALA^G 149 43.28 19.85 88.99 44.28 18.84 89.55 43.78 19.35 89.27 2 0 1000.00 -999 ? >VAL^G 150 42.01 22.35 91.58 43.04 23.94 92.69 42.52 23.15 92.13 3 0 1000.00 -999 ? >VAL^G 151 40.58 25.08 89.36 41.68 26.59 88.24 41.13 25.83 88.80 3 0 1000.00 -999 ? >GLN^G 152 39.40 21.72 85.90 40.14 20.15 84.68 39.77 20.93 85.29 2 0 1000.00 -999 ? >LYS^G 153 37.78 20.53 91.44 36.54 15.27 92.57 37.16 17.90 92.00 2 0 1000.00 -999 ? >LEU^G 154 37.82 24.56 93.66 38.35 23.92 95.65 38.09 24.24 94.65 3 0 1000.00 -999 ? >SER^G 155 34.95 25.45 89.82 35.25 27.56 88.64 35.10 26.50 89.23 2 0 1000.00 -999 ? >ARG^G 156 30.01 22.14 88.43 28.12 24.02 89.94 29.06 23.08 89.18 2 0 1000.00 -999 ? >PRO^G 157 32.32 24.50 82.50 32.24 26.00 84.15 32.28 25.25 83.32 3 0 1000.00 -999 ? >GLU^G 158 28.93 28.93 80.63 31.00 28.63 80.29 29.96 28.78 80.46 2 0 1000.00 -999 ? >MET?H 1 -14.98 50.55 127.68 -15.92 48.69 124.98 -15.45 49.62 126.33 2 0 1000.00 -999 ? >GLN^H 2 -16.95 48.57 131.36 -18.39 48.18 132.88 -17.67 48.38 132.12 2 0 1000.00 -999 ? >ASN^H 3 -11.14 44.79 130.35 -9.87 44.91 128.63 -10.50 44.85 129.49 2 0 1000.00 -999 ? >ALA^H 4 -13.02 41.29 131.87 -12.38 39.98 131.46 -12.70 40.64 131.66 2 0 1000.00 -999 ? >ASP^H 5 -9.47 43.32 134.37 -8.24 42.12 133.13 -8.86 42.72 133.75 2 0 1000.00 -999 ? >ASP^H 6 -13.90 46.44 134.29 -12.35 47.35 133.19 -13.12 46.90 133.74 2 0 1000.00 -999 ? >PHE^H 7 -17.84 42.85 133.87 -19.72 44.22 132.33 -18.78 43.53 133.10 3 0 1000.00 -999 ? >ILE^H 8 -13.06 39.75 137.77 -11.90 39.44 136.97 -12.48 39.59 137.37 3 0 1000.00 -999 ? >LYS^H 9 -13.18 43.46 140.13 -8.13 47.12 140.63 -10.66 45.29 140.38 2 0 1000.00 -999 ? >PHE^H 10 -16.25 47.67 139.35 -14.82 50.07 139.17 -15.53 48.87 139.26 3 0 1000.00 -999 ? >LEU^H 11 -19.02 41.52 139.61 -20.72 42.00 138.37 -19.87 41.76 138.99 3 0 1000.00 -999 ? >GLU^H 12 -16.87 42.34 144.83 -15.72 42.95 146.50 -16.29 42.65 145.67 2 0 1000.00 -999 ? >LEU^H 13 -16.14 37.35 139.55 -17.87 38.02 138.41 -17.01 37.68 138.98 3 0 1000.00 -999 ? >GLU^H 14 -15.42 34.15 144.85 -13.95 34.69 146.30 -14.69 34.42 145.58 2 0 1000.00 -999 ? >GLN^H 15 -10.12 31.79 139.85 -8.24 30.94 140.40 -9.18 31.37 140.13 2 0 1000.00 -999 ? >HIS^H 16 -17.35 28.04 139.14 -18.98 26.93 139.87 -18.16 27.48 139.51 3 0 1000.00 -999 ? >VAL^H 17 -14.20 25.13 140.09 -15.16 23.40 140.98 -14.68 24.27 140.53 3 0 1000.00 -999 ? >GLU^H 18 -17.97 25.66 135.79 -20.11 25.76 135.97 -19.04 25.71 135.88 2 0 1000.00 -999 ? >GLY^H 19 -14.15 27.24 134.93 -14.75 27.53 135.51 -14.45 27.38 135.22 1 0 1000.00 -999 ? >GLY^H 20 -14.36 30.99 134.68 -14.23 30.59 135.31 -14.30 30.79 134.99 1 0 1000.00 -999 ? >PHE^H 21 -13.35 34.74 136.82 -10.61 34.47 136.16 -11.98 34.61 136.49 3 0 1000.00 -999 ? >TYR^H 22 -18.79 31.81 141.01 -18.33 30.81 143.60 -18.56 31.31 142.30 3 0 1000.00 -999 ? >ARG^H 23 -20.14 38.16 144.95 -19.97 36.96 147.82 -20.06 37.56 146.39 2 0 1000.00 -999 ? >SER^H 24 -23.50 34.58 144.19 -24.88 33.12 145.62 -24.19 33.85 144.91 2 0 1000.00 -999 ? >SER^H 25 -25.64 37.69 143.59 -27.43 37.33 142.03 -26.54 37.51 142.81 2 0 1000.00 -999 ? >TYR^H 26 -29.75 39.10 144.88 -29.13 41.78 144.38 -29.44 40.44 144.63 3 0 1000.00 -999 ? >ARG^H 27 -28.45 30.83 149.19 -27.30 28.51 147.55 -27.88 29.67 148.37 2 0 1000.00 -999 ? >SER^H 28 -33.88 33.13 148.24 -36.10 32.12 148.19 -34.99 32.62 148.21 2 0 1000.00 -999 ? >GLU^H 29 -33.88 35.83 152.44 -34.16 37.66 153.47 -34.02 36.75 152.95 2 0 1000.00 -999 ? >THR^H 30 -37.53 30.90 151.30 -39.46 31.22 150.32 -38.49 31.06 150.81 2 0 1000.00 -999 ? >ALA^H 31 -36.74 27.21 151.48 -36.47 26.60 152.86 -36.61 26.90 152.17 2 0 1000.00 -999 ? >PHE^H 32 -37.25 22.83 147.22 -38.35 20.88 145.52 -37.80 21.85 146.37 3 0 1000.00 -999 ? >ASP^H 33 -35.03 20.30 151.01 -35.60 19.43 149.20 -35.31 19.87 150.11 2 0 1000.00 -999 ? >PRO^H 34 -36.54 20.99 155.86 -35.08 21.84 154.42 -35.81 21.42 155.14 3 0 1000.00 -999 ? >SER^H 35 -31.47 21.66 153.06 -31.98 20.10 151.24 -31.73 20.88 152.15 2 0 1000.00 -999 ? >ARG^H 36 -31.11 20.83 147.42 -28.90 19.01 148.52 -30.00 19.92 147.97 2 0 1000.00 -999 ? >GLN^H 37 -31.99 28.67 150.50 -33.38 28.60 152.12 -32.69 28.64 151.31 2 0 1000.00 -999 ? >LEU^H 38 -37.18 28.87 146.79 -39.07 28.52 145.85 -38.13 28.70 146.32 3 0 1000.00 -999 ? >TRP^H 39 -35.98 31.80 144.37 -33.46 34.82 144.45 -34.72 33.31 144.41 3 0 1000.00 -999 ? >SER^H 40 -29.94 30.59 143.78 -27.94 29.28 143.14 -28.94 29.93 143.46 2 0 1000.00 -999 ? >SER^H 41 -28.54 33.15 141.33 -29.23 35.03 139.96 -28.88 34.09 140.65 2 0 1000.00 -999 ? >ILE^H 42 -24.00 32.97 140.34 -23.56 31.69 140.22 -23.78 32.33 140.28 3 0 1000.00 -999 ? >TYR^H 43 -23.03 38.59 138.68 -24.55 40.73 139.65 -23.79 39.66 139.17 3 0 1000.00 -999 ? >PHE^H 44 -20.53 31.68 134.75 -18.49 29.97 133.92 -19.51 30.82 134.34 3 0 1000.00 -999 ? >LEU^H 45 -17.21 36.49 134.10 -15.66 37.72 133.25 -16.44 37.10 133.67 3 0 1000.00 -999 ? >LEU^H 46 -16.43 32.95 129.85 -17.13 30.91 129.98 -16.78 31.93 129.91 3 0 1000.00 -999 ? >ARG^H 47 -9.21 36.99 131.42 -7.44 35.38 133.35 -8.33 36.18 132.39 2 0 1000.00 -999 ? >THR^H 48 -10.50 34.35 126.68 -9.46 35.33 125.08 -9.98 34.84 125.88 2 0 1000.00 -999 ? >GLY^H 49 -8.48 31.38 127.95 -9.16 31.64 128.29 -8.82 31.51 128.12 1 0 1000.00 -999 ? >GLU^H 50 -11.43 32.11 131.76 -9.94 31.07 132.79 -10.69 31.59 132.28 2 0 1000.00 -999 ? >VAL^H 51 -14.40 27.80 129.51 -13.19 26.49 128.23 -13.79 27.14 128.87 3 0 1000.00 -999 ? >SER^H 52 -17.00 26.17 131.74 -19.15 25.87 132.81 -18.07 26.02 132.27 2 0 1000.00 -999 ? >HIS^H 53 -13.52 22.59 132.08 -11.82 23.78 131.76 -12.67 23.19 131.92 3 0 1000.00 -999 ? >PHE^H 54 -18.67 18.51 129.07 -19.50 18.76 126.42 -19.08 18.64 127.74 3 0 1000.00 -999 ? >HIS^H 55 -20.76 21.50 134.94 -21.87 23.19 134.37 -21.32 22.34 134.65 3 0 1000.00 -999 ? >ARG^H 56 -25.75 14.55 134.90 -24.43 12.11 136.23 -25.09 13.33 135.57 2 0 1000.00 -999 ? >LEU^H 57 -26.90 20.97 137.32 -25.61 22.65 137.66 -26.26 21.81 137.49 3 0 1000.00 -999 ? >THR^H 58 -29.26 17.91 139.68 -29.71 17.20 141.64 -29.49 17.56 140.66 2 0 1000.00 -999 ? >ALA^H 59 -31.59 20.81 138.86 -31.78 21.71 140.06 -31.69 21.26 139.46 2 0 1000.00 -999 ? >ASP^H 60 -34.04 23.35 135.60 -34.96 21.63 134.75 -34.50 22.49 135.18 2 0 1000.00 -999 ? >GLU^H 61 -28.05 27.01 135.54 -26.00 26.54 135.58 -27.02 26.77 135.56 2 0 1000.00 -999 ? >MET?H 62 -31.73 29.32 133.75 -34.72 29.56 132.28 -33.23 29.44 133.02 2 0 1000.00 -999 ? >TRP^H 63 -27.74 28.47 131.94 -23.97 29.02 130.95 -25.85 28.74 131.44 3 0 1000.00 -999 ? >TYR^H 64 -31.25 35.28 133.03 -33.54 34.12 134.14 -32.40 34.70 133.59 3 0 1000.00 -999 ? >PHE^H 65 -26.01 37.60 126.69 -23.84 39.03 125.61 -24.93 38.31 126.15 3 0 1000.00 -999 ? >HIS^H 66 -25.94 39.50 132.97 -27.36 39.31 134.50 -26.65 39.41 133.73 3 0 1000.00 -999 ? >ALA^H 67 -22.99 41.19 128.14 -22.45 42.32 128.99 -22.72 41.76 128.56 2 0 1000.00 -999 ? >GLY^H 68 -19.81 40.71 126.11 -20.53 40.53 125.85 -20.17 40.62 125.98 1 0 1000.00 -999 ? >GLN^H 69 -17.32 37.59 122.03 -16.78 39.65 121.98 -17.05 38.62 122.00 2 0 1000.00 -999 ? >SER^H 70 -22.05 35.33 122.81 -22.28 35.14 120.33 -22.16 35.24 121.57 2 0 1000.00 -999 ? >LEU^H 71 -21.87 31.45 125.47 -21.07 32.45 127.19 -21.47 31.95 126.33 3 0 1000.00 -999 ? >THR^H 72 -22.27 28.31 122.57 -21.59 27.63 120.65 -21.93 27.97 121.61 2 0 1000.00 -999 ? >ILE^H 73 -24.82 26.15 126.02 -25.53 26.39 127.20 -25.17 26.27 126.61 3 0 1000.00 -999 ? >TYR^H 74 -20.73 22.66 123.14 -19.42 24.14 121.18 -20.08 23.40 122.16 3 0 1000.00 -999 ? >MET?H 75 -25.09 19.59 126.00 -28.43 22.20 126.46 -26.76 20.90 126.23 2 0 1000.00 -999 ? >ILE^H 76 -23.53 15.08 126.21 -22.35 14.38 125.69 -22.94 14.73 125.95 3 0 1000.00 -999 ? >SER^H 77 -28.09 13.93 126.90 -28.90 12.77 124.91 -28.49 13.35 125.91 2 0 1000.00 -999 ? >PRO^H 78 -30.16 11.47 129.85 -28.23 11.42 128.75 -29.20 11.45 129.30 3 0 1000.00 -999 ? >GLU^H 79 -30.81 8.87 126.05 -31.43 10.55 127.19 -31.12 9.71 126.62 2 0 1000.00 -999 ? >GLY^H 80 -25.08 10.34 124.18 -25.78 10.72 124.11 -25.43 10.53 124.14 1 0 1000.00 -999 ? >GLU^H 81 -29.02 13.72 120.75 -31.16 13.69 120.55 -30.09 13.70 120.65 2 0 1000.00 -999 ? >LEU^H 82 -23.70 16.28 121.06 -22.28 17.91 121.18 -22.99 17.10 121.12 3 0 1000.00 -999 ? >THR^H 83 -27.14 19.37 121.15 -28.92 18.93 122.32 -28.03 19.15 121.74 2 0 1000.00 -999 ? >THR^H 84 -26.17 23.04 121.42 -24.60 22.72 120.00 -25.38 22.88 120.71 2 0 1000.00 -999 ? >ALA^H 85 -27.82 26.37 122.07 -28.71 26.39 123.28 -28.26 26.38 122.68 2 0 1000.00 -999 ? >GLN^H 86 -25.64 29.04 119.37 -24.16 29.41 117.90 -24.90 29.23 118.64 2 0 1000.00 -999 ? >LEU^H 87 -26.51 32.28 125.57 -27.59 32.71 127.38 -27.05 32.50 126.48 3 0 1000.00 -999 ? >GLY^H 88 -26.64 36.19 123.15 -27.42 36.01 123.10 -27.03 36.10 123.12 1 0 1000.00 -999 ? >LEU^H 89 -27.89 40.32 121.49 -28.18 41.03 123.50 -28.04 40.68 122.50 3 0 1000.00 -999 ? >ASP^H 90 -26.49 37.46 116.82 -26.49 37.34 114.71 -26.49 37.40 115.76 2 0 1000.00 -999 ? >LEU^H 91 -32.62 37.81 117.28 -33.20 38.71 119.17 -32.91 38.26 118.22 3 0 1000.00 -999 ? >ALA^H 92 -30.81 36.39 113.22 -29.84 37.22 112.38 -30.32 36.80 112.80 2 0 1000.00 -999 ? >ALA^H 93 -28.97 33.20 114.09 -27.50 33.12 114.39 -28.24 33.16 114.24 2 0 1000.00 -999 ? >GLY^H 94 -30.23 30.83 116.77 -29.69 31.42 116.90 -29.96 31.13 116.84 1 0 1000.00 -999 ? >GLU^H 95 -26.48 33.89 119.23 -25.09 35.46 119.14 -25.79 34.68 119.18 2 0 1000.00 -999 ? >ARG^H 96 -34.41 32.83 121.36 -34.29 33.69 118.44 -34.35 33.26 119.90 2 0 1000.00 -999 ? >PRO^H 97 -32.00 37.72 124.11 -31.03 35.82 124.73 -31.51 36.77 124.42 3 0 1000.00 -999 ? >GLN^H 98 -33.33 34.83 129.14 -35.22 35.38 129.96 -34.27 35.10 129.55 2 0 1000.00 -999 ? >PHE^H 99 -30.59 27.79 126.44 -30.82 25.14 125.61 -30.70 26.46 126.03 3 0 1000.00 -999 ? >LEU^H 100 -34.14 26.41 130.31 -35.17 25.23 131.81 -34.65 25.82 131.06 3 0 1000.00 -999 ? >VAL^H 101 -30.15 23.90 130.37 -28.23 23.78 131.33 -29.19 23.84 130.85 3 0 1000.00 -999 ? >PRO^H 102 -32.04 20.17 129.42 -31.90 21.44 131.24 -31.97 20.80 130.33 3 0 1000.00 -999 ? >LYS^H 103 -31.25 19.00 134.72 -36.07 17.06 138.33 -33.66 18.03 136.52 2 0 1000.00 -999 ? >GLY^H 104 -29.63 15.67 134.01 -29.26 16.29 133.69 -29.44 15.98 133.85 1 0 1000.00 -999 ? >CYH^H 105 -27.30 16.55 131.18 -27.97 19.07 130.02 -27.63 17.81 130.60 2 0 1000.00 -999 ? >ILE^H 106 -22.63 15.96 130.87 -21.67 15.03 131.40 -22.15 15.50 131.13 3 0 1000.00 -999 ? >PHE^H 107 -24.56 22.12 130.97 -25.41 23.16 133.43 -24.98 22.64 132.20 3 0 1000.00 -999 ? >GLY^H 108 -20.06 23.01 129.02 -20.82 23.22 128.61 -20.44 23.12 128.81 1 0 1000.00 -999 ? >SER^H 109 -19.76 26.35 127.31 -20.98 28.40 127.47 -20.37 27.37 127.39 2 0 1000.00 -999 ? >ALA^H 110 -17.42 28.62 125.44 -16.47 27.80 124.59 -16.94 28.21 125.01 2 0 1000.00 -999 ? >MET?H 111 -17.43 32.05 123.83 -15.27 34.85 126.25 -16.35 33.45 125.04 2 0 1000.00 -999 ? >ASN^H 112 -19.40 32.48 119.48 -20.95 31.47 120.55 -20.17 31.97 120.01 2 0 1000.00 -999 ? >GLN^H 113 -15.08 37.15 118.64 -14.36 36.58 116.70 -14.72 36.86 117.67 2 0 1000.00 -999 ? >ASP^H 114 -10.84 36.48 121.28 -9.46 34.87 121.02 -10.15 35.67 121.15 2 0 1000.00 -999 ? >GLY^H 115 -12.77 38.67 124.54 -12.75 37.89 124.84 -12.76 38.28 124.69 1 0 1000.00 -999 ? >PHE^H 116 -15.83 40.40 128.73 -17.92 42.25 128.77 -16.87 41.33 128.75 3 0 1000.00 -999 ? >SER^H 117 -18.46 37.15 128.39 -20.00 35.61 127.34 -19.23 36.38 127.86 2 0 1000.00 -999 ? >LEU^H 118 -20.68 39.12 132.05 -21.14 39.56 134.10 -20.91 39.34 133.07 3 0 1000.00 -999 ? >VAL^H 119 -23.95 35.84 132.04 -24.16 34.08 130.82 -24.06 34.96 131.43 3 0 1000.00 -999 ? >GLY^H 120 -26.45 35.34 134.83 -26.43 34.68 134.22 -26.44 35.01 134.53 1 0 1000.00 -999 ? >CYH^H 121 -27.32 31.83 136.03 -25.21 30.61 134.66 -26.26 31.22 135.35 2 0 1000.00 -999 ? >MET?H 122 -30.25 30.69 138.15 -33.54 29.93 138.96 -31.89 30.31 138.55 2 0 1000.00 -999 ? >VAL^H 123 -30.77 27.15 139.49 -28.75 26.58 140.04 -29.76 26.86 139.77 3 0 1000.00 -999 ? >SER^H 124 -34.09 26.72 141.26 -36.48 26.64 141.52 -35.29 26.68 141.39 2 0 1000.00 -999 ? >PRO^H 125 -34.55 22.52 142.76 -33.57 24.45 143.27 -34.06 23.49 143.01 3 0 1000.00 -999 ? >GLY^H 126 -30.72 26.37 145.56 -30.73 25.62 145.25 -30.72 26.00 145.40 1 0 1000.00 -999 ? >PHE^H 127 -25.22 25.36 142.94 -22.87 24.09 142.17 -24.04 24.73 142.55 3 0 1000.00 -999 ? >THR^H 128 -25.27 23.21 146.70 -26.73 21.94 147.60 -26.00 22.58 147.15 2 0 1000.00 -999 ? >PHE^H 129 -20.31 22.59 145.75 -19.22 24.97 144.83 -19.77 23.78 145.29 3 0 1000.00 -999 ? >ASP^H 130 -24.77 17.44 147.66 -23.64 18.05 149.30 -24.20 17.75 148.48 2 0 1000.00 -999 ? >ASP^H 131 -27.17 19.98 143.56 -28.26 19.57 145.33 -27.72 19.78 144.45 2 0 1000.00 -999 ? >PHE^H 132 -21.10 21.08 140.77 -19.04 21.93 139.12 -20.07 21.50 139.94 3 0 1000.00 -999 ? >GLU^H 133 -20.60 14.42 138.75 -21.59 12.53 138.67 -21.09 13.48 138.71 2 0 1000.00 -999 ? >LEU^H 134 -16.64 18.67 137.76 -15.58 20.30 136.84 -16.11 19.48 137.30 3 0 1000.00 -999 ? >PHE^H 135 -18.71 14.46 134.31 -21.31 13.95 135.23 -20.01 14.21 134.77 3 0 1000.00 -999 ? >SER^H 136 -13.01 13.76 133.92 -11.23 12.10 133.98 -12.12 12.93 133.95 2 0 1000.00 -999 ? >GLN^H 137 -10.73 14.82 128.23 -8.85 15.40 127.41 -9.79 15.11 127.82 2 0 1000.00 -999 ? >GLU^H 138 -8.91 9.73 131.30 -8.15 11.62 131.89 -8.53 10.68 131.59 2 0 1000.00 -999 ? >ALA^H 139 -14.71 9.56 132.25 -15.18 10.18 133.55 -14.95 9.87 132.90 2 0 1000.00 -999 ? >LEU^H 140 -16.11 12.98 129.17 -17.51 14.36 130.06 -16.81 13.67 129.62 3 0 1000.00 -999 ? >LEU^H 141 -12.69 9.88 126.27 -11.91 11.74 125.48 -12.30 10.81 125.87 3 0 1000.00 -999 ? >ALA^H 142 -15.21 6.32 127.77 -15.06 5.89 129.22 -15.14 6.10 128.49 2 0 1000.00 -999 ? >MET?H 143 -18.91 7.16 127.65 -19.86 9.46 131.32 -19.38 8.31 129.49 2 0 1000.00 -999 ? >TYR^H 144 -21.09 10.72 126.18 -22.96 10.83 128.24 -22.02 10.77 127.21 3 0 1000.00 -999 ? >PRO^H 145 -16.93 6.09 123.44 -17.24 8.23 122.94 -17.08 7.16 123.19 3 0 1000.00 -999 ? >GLN^H 146 -20.82 10.03 120.14 -21.08 8.53 121.65 -20.95 9.28 120.90 2 0 1000.00 -999 ? >HIS^H 147 -20.10 13.74 121.39 -22.08 13.43 120.76 -21.09 13.58 121.08 3 0 1000.00 -999 ? >LYS^H 148 -13.87 13.19 121.27 -8.30 11.94 120.68 -11.08 12.57 120.97 2 0 1000.00 -999 ? >ALA^H 149 -13.33 16.61 119.64 -13.78 16.95 118.22 -13.56 16.78 118.93 2 0 1000.00 -999 ? >VAL^H 150 -15.88 18.48 121.76 -18.01 18.33 122.21 -16.94 18.40 121.98 3 0 1000.00 -999 ? >VAL^H 151 -15.15 16.60 125.00 -15.85 14.73 125.92 -15.50 15.66 125.46 3 0 1000.00 -999 ? >GLN^H 152 -9.97 16.05 123.81 -8.57 15.58 122.28 -9.27 15.81 123.04 2 0 1000.00 -999 ? >LYS^H 153 -12.60 21.45 124.34 -14.83 25.99 120.56 -13.72 23.72 122.45 2 0 1000.00 -999 ? >LEU^H 154 -16.11 21.34 127.37 -17.20 22.84 126.26 -16.66 22.09 126.81 3 0 1000.00 -999 ? >SER^H 155 -12.57 18.90 129.68 -14.49 17.41 129.89 -13.53 18.15 129.79 2 0 1000.00 -999 ? >ARG^H 156 -8.09 21.94 132.82 -9.88 21.26 135.24 -8.98 21.60 134.03 2 0 1000.00 -999 ? >PRO^H 157 -5.39 16.32 130.93 -7.52 15.89 131.45 -6.45 16.10 131.19 3 0 1000.00 -999 ? >GLU^H 158 -5.22 11.85 135.71 -4.39 10.85 134.03 -4.81 11.35 134.87 2 0 1000.00 -999 ? >MET?I 1 40.38 12.67 121.78 36.85 10.51 123.04 38.62 11.59 122.41 2 0 1000.00 -999 ? >GLN^I 2 43.34 16.53 120.30 42.75 17.76 118.65 43.05 17.14 119.48 2 0 1000.00 -999 ? >ASN^I 3 42.74 16.41 127.20 41.60 16.54 129.00 42.17 16.47 128.10 2 0 1000.00 -999 ? >ALA^I 4 42.69 20.73 127.59 42.38 21.08 129.03 42.54 20.90 128.31 2 0 1000.00 -999 ? >ASP^I 5 47.19 19.19 128.46 46.56 18.81 130.46 46.87 19.00 129.46 2 0 1000.00 -999 ? >ASP^I 6 45.96 18.38 123.46 46.22 16.54 124.45 46.09 17.46 123.95 2 0 1000.00 -999 ? >PHE^I 7 42.88 22.44 122.19 41.30 21.00 120.38 42.09 21.72 121.28 3 0 1000.00 -999 ? >ILE^I 8 46.70 25.14 127.07 47.21 25.46 127.57 46.96 25.30 127.32 3 0 1000.00 -999 ? >LYS^I 9 49.94 23.23 124.28 52.22 17.56 122.39 51.08 20.39 123.33 2 0 1000.00 -999 ? >PHE^I 10 49.51 21.78 119.30 50.59 19.24 118.78 50.05 20.51 119.04 3 0 1000.00 -999 ? >LEU^I 11 46.39 27.51 120.84 44.69 27.02 119.62 45.54 27.26 120.23 3 0 1000.00 -999 ? >GLU^I 12 52.31 28.31 121.30 53.72 29.32 120.13 53.01 28.81 120.72 2 0 1000.00 -999 ? >LEU^I 13 46.49 29.10 125.71 44.75 28.83 124.45 45.62 28.96 125.08 3 0 1000.00 -999 ? >GLU^I 14 50.68 33.12 127.40 51.71 34.93 127.09 51.19 34.03 127.25 2 0 1000.00 -999 ? >GLN^I 15 47.83 31.92 133.25 48.87 32.28 135.07 48.35 32.10 134.16 2 0 1000.00 -999 ? >HIS^I 16 42.47 37.18 129.24 42.10 39.12 128.53 42.29 38.15 128.88 3 0 1000.00 -999 ? >VAL^I 17 43.72 38.44 133.43 43.36 40.57 133.40 43.54 39.51 133.41 3 0 1000.00 -999 ? >GLU^I 18 38.74 37.46 131.30 37.88 38.49 129.67 38.31 37.97 130.48 2 0 1000.00 -999 ? >GLY^I 19 40.56 34.11 133.94 40.72 34.49 133.17 40.64 34.30 133.55 1 0 1000.00 -999 ? >GLY^I 20 41.16 31.43 131.32 41.76 31.87 131.61 41.46 31.65 131.47 1 0 1000.00 -999 ? >PHE^I 21 44.88 29.36 129.68 45.80 28.33 132.12 45.34 28.85 130.90 3 0 1000.00 -999 ? >TYR^I 22 44.82 35.75 125.85 46.87 37.60 126.32 45.85 36.67 126.09 3 0 1000.00 -999 ? >ARG^I 23 48.95 33.67 120.41 51.17 34.75 118.55 50.06 34.21 119.48 2 0 1000.00 -999 ? >SER^I 24 46.35 36.78 119.85 47.06 38.78 121.07 46.71 37.78 120.46 2 0 1000.00 -999 ? >SER^I 25 45.42 34.56 116.89 43.08 35.07 116.60 44.25 34.82 116.74 2 0 1000.00 -999 ? >TYR^I 26 44.99 35.70 112.44 45.68 33.24 111.32 45.34 34.47 111.88 3 0 1000.00 -999 ? >ARG^I 27 45.60 43.51 117.14 47.71 44.02 119.29 46.65 43.77 118.22 2 0 1000.00 -999 ? >SER^I 28 44.08 43.60 111.38 42.69 45.20 110.19 43.39 44.40 110.79 2 0 1000.00 -999 ? >GLU^I 29 48.15 43.86 108.60 49.32 43.18 106.97 48.74 43.52 107.78 2 0 1000.00 -999 ? >THR^I 30 44.19 48.65 109.04 42.58 48.87 107.62 43.39 48.76 108.33 2 0 1000.00 -999 ? >ALA^I 31 44.00 51.33 111.73 45.26 52.15 112.01 44.63 51.74 111.87 2 0 1000.00 -999 ? >PHE^I 32 38.40 52.41 114.23 35.79 53.40 114.50 37.09 52.91 114.36 3 0 1000.00 -999 ? >ASP^I 33 42.64 54.92 116.67 40.58 54.78 117.11 41.61 54.85 116.89 2 0 1000.00 -999 ? >PRO^I 34 46.30 57.39 114.03 46.02 55.37 114.93 46.16 56.38 114.48 3 0 1000.00 -999 ? >SER^I 35 46.65 53.35 118.20 45.03 54.61 119.52 45.84 53.98 118.86 2 0 1000.00 -999 ? >ARG^I 36 42.87 52.48 120.06 43.85 53.24 122.87 43.36 52.86 121.47 2 0 1000.00 -999 ? >GLN^I 37 45.47 46.98 115.02 46.19 48.21 113.45 45.83 47.60 114.24 2 0 1000.00 -999 ? >LEU^I 38 40.45 47.06 111.13 38.85 47.37 109.74 39.65 47.21 110.43 3 0 1000.00 -999 ? >TRP^I 39 39.84 43.54 111.40 41.44 39.98 111.85 40.64 41.76 111.62 3 0 1000.00 -999 ? >SER^I 40 41.59 41.94 117.04 41.16 43.15 119.14 41.38 42.55 118.09 2 0 1000.00 -999 ? >SER^I 41 40.98 38.23 117.36 40.23 36.15 116.32 40.60 37.19 116.84 2 0 1000.00 -999 ? >ILE^I 42 42.19 36.14 121.30 41.82 37.03 122.33 42.00 36.59 121.82 3 0 1000.00 -999 ? >TYR^I 43 43.06 30.56 119.45 43.71 29.58 116.89 43.39 30.07 118.17 3 0 1000.00 -999 ? >PHE^I 44 38.75 32.99 126.16 38.31 33.60 128.86 38.53 33.29 127.51 3 0 1000.00 -999 ? >LEU^I 45 41.33 27.62 126.42 41.49 25.54 126.99 41.41 26.58 126.70 3 0 1000.00 -999 ? >LEU^I 46 36.66 28.39 129.92 35.91 30.08 131.02 36.28 29.23 130.47 3 0 1000.00 -999 ? >ARG^I 47 42.40 23.20 133.11 45.29 24.16 132.70 43.85 23.68 132.91 2 0 1000.00 -999 ? >THR^I 48 37.14 23.00 134.63 36.91 20.88 135.07 37.02 21.94 134.85 2 0 1000.00 -999 ? >GLY^I 49 38.47 25.30 137.33 38.25 25.60 136.64 38.36 25.45 136.98 1 0 1000.00 -999 ? >GLU^I 50 41.13 29.04 135.76 42.69 30.34 135.12 41.91 29.69 135.44 2 0 1000.00 -999 ? >VAL^I 51 35.82 31.05 134.49 34.53 30.48 136.13 35.17 30.76 135.31 3 0 1000.00 -999 ? >SER^I 52 35.63 34.44 132.74 35.05 36.03 130.98 35.34 35.24 131.86 2 0 1000.00 -999 ? >HIS^I 53 36.79 36.19 137.27 37.67 34.60 138.32 37.23 35.40 137.79 3 0 1000.00 -999 ? >PHE^I 54 30.55 39.34 136.21 28.36 37.62 136.46 29.46 38.48 136.33 3 0 1000.00 -999 ? >HIS^I 55 35.39 41.03 131.09 35.09 39.76 129.45 35.24 40.40 130.27 3 0 1000.00 -999 ? >ARG^I 56 31.68 48.33 130.00 31.88 50.61 132.05 31.78 49.47 131.02 2 0 1000.00 -999 ? >LEU^I 57 35.24 45.67 125.74 35.22 43.67 126.53 35.23 44.67 126.13 3 0 1000.00 -999 ? >THR^I 58 34.55 49.66 124.67 35.86 51.28 124.12 35.20 50.47 124.39 2 0 1000.00 -999 ? >ALA^I 59 33.30 47.48 121.82 34.30 47.49 120.67 33.80 47.49 121.24 2 0 1000.00 -999 ? >ASP^I 60 30.55 44.51 119.21 28.61 45.36 119.26 29.58 44.94 119.23 2 0 1000.00 -999 ? >GLU^I 61 34.36 39.64 122.22 35.03 39.00 124.09 34.69 39.32 123.16 2 0 1000.00 -999 ? >MET?I 62 31.86 38.28 118.63 29.28 38.25 116.49 30.57 38.26 117.56 2 0 1000.00 -999 ? >TRP^I 63 31.93 36.68 122.50 33.00 34.58 125.65 32.47 35.63 124.08 3 0 1000.00 -999 ? >TYR^I 64 33.27 33.22 115.76 32.84 35.65 114.45 33.05 34.43 115.10 3 0 1000.00 -999 ? >PHE^I 65 31.26 26.16 120.07 31.81 23.74 121.37 31.53 24.95 120.72 3 0 1000.00 -999 ? >HIS^I 66 37.15 27.77 118.08 37.86 29.26 116.79 37.51 28.51 117.43 3 0 1000.00 -999 ? >ALA^I 67 35.16 23.00 120.69 36.35 22.19 120.16 35.75 22.59 120.43 2 0 1000.00 -999 ? >GLY^I 68 34.63 21.57 124.15 33.98 21.83 123.71 34.30 21.70 123.93 1 0 1000.00 -999 ? >GLN^I 69 31.58 19.69 128.35 33.07 18.42 127.48 32.32 19.05 127.91 2 0 1000.00 -999 ? >SER^I 70 29.05 24.17 125.82 27.40 22.71 124.82 28.23 23.44 125.32 2 0 1000.00 -999 ? >LEU^I 71 30.41 28.57 127.14 32.56 28.56 127.25 31.48 28.56 127.19 3 0 1000.00 -999 ? >THR^I 72 26.95 29.99 128.92 25.52 29.09 130.30 26.24 29.54 129.61 2 0 1000.00 -999 ? >ILE^I 73 27.26 34.53 127.25 27.71 34.29 126.59 27.48 34.41 126.92 3 0 1000.00 -999 ? >TYR^I 74 26.30 33.62 133.33 25.82 30.89 133.65 26.06 32.26 133.49 3 0 1000.00 -999 ? >MET?I 75 25.25 39.16 131.04 25.00 38.64 126.92 25.12 38.90 128.98 2 0 1000.00 -999 ? >ILE^I 76 24.82 42.10 134.65 24.82 41.95 136.09 24.82 42.02 135.37 3 0 1000.00 -999 ? >SER^I 77 22.71 45.00 131.40 20.42 45.07 132.20 21.56 45.03 131.80 2 0 1000.00 -999 ? >PRO^I 78 22.86 49.22 130.36 23.49 47.94 132.08 23.17 48.58 131.22 3 0 1000.00 -999 ? >GLU^I 79 18.82 49.21 132.87 19.54 48.71 130.95 19.18 48.96 131.91 2 0 1000.00 -999 ? >GLY^I 80 20.75 44.81 136.15 20.28 44.75 135.47 20.51 44.78 135.81 1 0 1000.00 -999 ? >GLU^I 81 16.99 41.78 132.43 15.58 42.62 131.11 16.29 42.20 131.77 2 0 1000.00 -999 ? >LEU^I 82 19.67 37.50 133.84 20.34 35.44 133.86 20.01 36.47 133.85 3 0 1000.00 -999 ? >THR^I 83 20.86 37.31 129.59 21.06 38.90 128.10 20.96 38.10 128.85 2 0 1000.00 -999 ? >THR^I 84 21.55 33.59 129.85 20.11 32.04 130.28 20.83 32.81 130.06 2 0 1000.00 -999 ? >ALA^I 85 23.14 32.99 126.45 24.03 34.01 125.75 23.59 33.50 126.10 2 0 1000.00 -999 ? >GLN^I 86 22.48 28.45 126.78 23.43 27.23 128.25 22.95 27.84 127.52 2 0 1000.00 -999 ? >LEU^I 87 28.59 29.65 123.36 29.97 30.55 121.95 29.28 30.10 122.65 3 0 1000.00 -999 ? >GLY^I 88 27.56 25.32 121.67 27.13 25.74 121.13 27.35 25.53 121.40 1 0 1000.00 -999 ? >LEU^I 89 27.85 21.80 118.46 29.68 22.25 117.39 28.77 22.02 117.93 3 0 1000.00 -999 ? >ASP^I 90 23.23 21.64 121.90 21.29 21.00 122.39 22.26 21.32 122.14 2 0 1000.00 -999 ? >LEU^I 91 19.83 22.37 117.37 20.99 23.17 115.73 20.41 22.77 116.55 3 0 1000.00 -999 ? >ALA^I 92 17.84 20.81 121.27 18.29 19.61 122.10 18.07 20.21 121.68 2 0 1000.00 -999 ? >ALA^I 93 18.47 23.75 123.57 19.32 23.57 124.81 18.89 23.66 124.19 2 0 1000.00 -999 ? >GLY^I 94 19.28 27.33 122.52 19.81 26.85 122.84 19.54 27.09 122.68 1 0 1000.00 -999 ? >GLU^I 95 23.91 25.33 123.79 24.66 23.45 124.47 24.29 24.39 124.13 2 0 1000.00 -999 ? >ARG^I 96 20.82 29.18 117.62 19.27 26.80 118.78 20.05 27.99 118.20 2 0 1000.00 -999 ? >PRO^I 97 26.66 26.53 115.93 26.83 28.11 117.48 26.74 27.32 116.70 3 0 1000.00 -999 ? >GLN^I 98 29.29 32.26 115.34 29.23 32.98 113.32 29.26 32.62 114.33 2 0 1000.00 -999 ? >PHE^I 99 25.34 34.99 121.68 23.30 36.34 123.03 24.32 35.66 122.35 3 0 1000.00 -999 ? >LEU^I 100 27.05 39.42 119.07 27.45 41.51 118.82 27.25 40.47 118.95 3 0 1000.00 -999 ? >VAL^I 101 27.97 40.29 123.48 29.60 40.04 124.90 28.78 40.17 124.19 3 0 1000.00 -999 ? >PRO^I 102 25.39 43.74 123.89 27.46 43.36 123.22 26.43 43.55 123.55 3 0 1000.00 -999 ? >LYS^I 103 29.62 46.73 124.87 29.78 51.44 120.73 29.70 49.09 122.80 2 0 1000.00 -999 ? >GLY^I 104 28.58 48.46 128.07 28.70 47.69 128.02 28.64 48.07 128.05 1 0 1000.00 -999 ? >CYH^I 105 27.28 45.22 129.59 26.98 42.97 127.83 27.13 44.10 128.71 2 0 1000.00 -999 ? >ILE^I 106 29.21 43.88 133.82 29.75 44.43 135.00 29.48 44.16 134.41 3 0 1000.00 -999 ? >PHE^I 107 30.33 40.03 128.83 32.34 40.72 127.04 31.33 40.38 127.93 3 0 1000.00 -999 ? >GLY^I 108 31.46 36.58 131.71 30.66 36.45 131.38 31.06 36.51 131.54 1 0 1000.00 -999 ? >SER^I 109 31.02 32.88 130.99 30.78 31.32 129.15 30.90 32.10 130.07 2 0 1000.00 -999 ? >ALA^I 110 31.50 29.41 132.44 31.06 29.52 133.89 31.28 29.47 133.17 2 0 1000.00 -999 ? >MET?I 111 31.34 25.91 130.98 34.94 23.76 130.16 33.14 24.84 130.57 2 0 1000.00 -999 ? >ASN^I 112 27.41 23.18 130.44 26.51 24.81 129.39 26.96 23.99 129.91 2 0 1000.00 -999 ? >GLN^I 113 28.62 18.69 131.89 27.00 20.03 131.49 27.81 19.36 131.69 2 0 1000.00 -999 ? >ASP^I 114 34.56 18.92 134.19 33.57 18.92 136.07 34.07 18.92 135.13 2 0 1000.00 -999 ? >GLY^I 115 36.75 19.24 130.69 36.72 19.95 131.05 36.73 19.60 130.87 1 0 1000.00 -999 ? >PHE^I 116 38.93 21.14 126.21 38.65 20.09 123.64 38.79 20.61 124.93 3 0 1000.00 -999 ? >SER^I 117 36.28 24.86 126.28 34.67 26.68 126.38 35.47 25.77 126.33 2 0 1000.00 -999 ? >LEU^I 118 38.75 25.80 122.35 40.55 26.53 121.40 39.65 26.16 121.88 3 0 1000.00 -999 ? >VAL^I 119 36.29 29.74 121.80 34.60 30.45 122.93 35.45 30.10 122.37 3 0 1000.00 -999 ? >GLY^I 120 37.10 32.40 119.25 36.45 32.56 119.85 36.77 32.48 119.55 1 0 1000.00 -999 ? >CYH^I 121 36.73 36.08 120.10 35.93 35.45 122.69 36.33 35.77 121.39 2 0 1000.00 -999 ? >MET?I 122 36.90 39.27 118.12 35.48 41.19 115.33 36.19 40.23 116.72 2 0 1000.00 -999 ? >VAL^I 123 36.31 42.97 118.64 37.44 43.24 120.50 36.88 43.10 119.57 3 0 1000.00 -999 ? >SER^I 124 36.33 45.18 115.57 35.63 46.30 113.59 35.98 45.74 114.58 2 0 1000.00 -999 ? >PRO^I 125 34.85 48.74 117.63 36.80 47.75 117.18 35.83 48.25 117.40 3 0 1000.00 -999 ? >GLY^I 126 40.72 47.06 118.17 40.16 47.29 118.62 40.44 47.17 118.40 1 0 1000.00 -999 ? >PHE^I 127 41.15 43.92 123.46 41.21 43.67 126.24 41.18 43.80 124.85 3 0 1000.00 -999 ? >THR^I 128 43.71 47.34 124.01 43.68 49.32 123.13 43.69 48.33 123.57 2 0 1000.00 -999 ? >PHE^I 129 45.09 45.38 128.52 45.69 42.69 128.06 45.39 44.04 128.29 3 0 1000.00 -999 ? >ASP^I 130 42.94 51.97 126.85 45.04 52.20 126.79 43.99 52.09 126.82 2 0 1000.00 -999 ? >ASP^I 131 38.96 49.47 124.89 40.50 50.36 123.76 39.73 49.91 124.33 2 0 1000.00 -999 ? >PHE^I 132 39.75 44.82 129.90 39.34 42.57 131.51 39.54 43.69 130.71 3 0 1000.00 -999 ? >GLU^I 133 36.75 49.66 132.44 35.13 51.02 132.74 35.94 50.34 132.59 2 0 1000.00 -999 ? >LEU^I 134 38.93 43.63 135.36 39.02 41.49 135.67 38.97 42.56 135.52 3 0 1000.00 -999 ? >PHE^I 135 33.77 46.55 137.18 33.40 48.49 135.20 33.58 47.52 136.19 3 0 1000.00 -999 ? >SER^I 136 35.58 43.06 141.60 36.48 42.53 143.80 36.03 42.79 142.70 2 0 1000.00 -999 ? >GLN^I 137 31.90 39.05 144.66 32.30 37.31 145.82 32.10 38.18 145.24 2 0 1000.00 -999 ? >GLU^I 138 35.15 44.22 147.26 37.04 45.16 147.43 36.10 44.69 147.35 2 0 1000.00 -999 ? >ALA^I 139 31.80 46.80 143.44 32.65 47.43 142.34 32.22 47.11 142.89 2 0 1000.00 -999 ? >LEU^I 140 30.15 43.34 140.52 29.11 42.43 138.86 29.63 42.88 139.69 3 0 1000.00 -999 ? >LEU^I 141 28.54 42.94 145.82 28.19 41.09 146.89 28.37 42.02 146.36 3 0 1000.00 -999 ? >ALA^I 142 27.22 47.27 145.89 28.39 48.24 146.05 27.80 47.75 145.97 2 0 1000.00 -999 ? >MET?I 143 25.53 47.61 142.50 28.83 48.62 139.81 27.18 48.11 141.15 2 0 1000.00 -999 ? >TYR^I 144 24.33 45.42 138.95 25.03 47.38 137.07 24.68 46.40 138.01 3 0 1000.00 -999 ? >PRO^I 145 22.82 45.11 145.45 22.89 43.40 144.03 22.85 44.25 144.74 3 0 1000.00 -999 ? >GLN^I 146 19.25 41.74 141.03 19.87 43.78 141.10 19.56 42.76 141.06 2 0 1000.00 -999 ? >HIS^I 147 21.84 39.21 138.79 20.20 39.39 137.49 21.02 39.30 138.14 3 0 1000.00 -999 ? >LYS^I 148 24.80 37.80 144.09 25.86 35.65 148.76 25.33 36.72 146.43 2 0 1000.00 -999 ? >ALA^I 149 23.98 34.17 143.27 22.57 33.63 143.03 23.27 33.90 143.15 2 0 1000.00 -999 ? >VAL^I 150 25.91 34.58 140.01 25.57 35.50 138.06 25.74 35.04 139.03 3 0 1000.00 -999 ? >VAL^I 151 28.41 37.25 141.05 28.22 39.30 141.73 28.31 38.27 141.39 3 0 1000.00 -999 ? >GLN^I 152 28.35 34.15 145.15 27.42 32.68 146.39 27.89 33.42 145.77 2 0 1000.00 -999 ? >LYS^I 153 31.33 32.31 140.52 27.35 30.22 143.41 29.34 31.27 141.97 2 0 1000.00 -999 ? >LEU^I 154 31.06 35.27 136.74 30.45 33.89 135.19 30.75 34.58 135.97 3 0 1000.00 -999 ? >SER^I 155 34.01 37.19 140.21 33.63 39.42 141.12 33.82 38.31 140.67 2 0 1000.00 -999 ? >ARG^I 156 39.99 35.59 141.35 42.04 36.32 139.19 41.02 35.95 140.27 2 0 1000.00 -999 ? >PRO^I 157 37.42 37.06 147.11 36.85 38.65 145.66 37.13 37.86 146.39 3 0 1000.00 -999 ? >GLU^I 158 41.31 42.81 147.54 40.74 44.82 147.91 41.03 43.81 147.73 2 0 1000.00 -999 ? >MET?J 1 -9.14 57.44 99.19 -6.17 56.34 102.06 -7.66 56.89 100.63 2 0 1000.00 -999 ? >GLN^J 2 -6.83 52.61 96.92 -6.13 53.99 95.46 -6.48 53.30 96.19 2 0 1000.00 -999 ? >ASN^J 3 -13.56 52.99 98.08 -15.32 51.90 98.60 -14.44 52.44 98.34 2 0 1000.00 -999 ? >ALA^J 4 -12.84 48.60 97.60 -13.59 47.62 98.49 -13.22 48.11 98.04 2 0 1000.00 -999 ? >ASP^J 5 -15.95 50.88 94.66 -17.73 50.11 95.46 -16.84 50.49 95.06 2 0 1000.00 -999 ? >ASP^J 6 -10.67 52.14 93.84 -11.61 53.79 94.78 -11.14 52.97 94.31 2 0 1000.00 -999 ? >PHE^J 7 -8.45 47.74 95.20 -6.29 48.86 96.58 -7.37 48.30 95.89 3 0 1000.00 -999 ? >ILE^J 8 -14.49 45.84 92.65 -15.21 46.41 92.81 -14.85 46.12 92.73 3 0 1000.00 -999 ? >LYS^J 9 -13.32 48.22 88.97 -16.58 52.96 86.38 -14.95 50.59 87.67 2 0 1000.00 -999 ? >PHE^J 10 -8.72 51.26 88.54 -8.65 53.94 87.74 -8.69 52.60 88.14 3 0 1000.00 -999 ? >LEU^J 11 -8.25 44.72 89.89 -6.34 45.04 90.85 -7.30 44.88 90.37 3 0 1000.00 -999 ? >GLU^J 12 -11.20 45.19 84.92 -10.20 44.67 83.13 -10.70 44.93 84.02 2 0 1000.00 -999 ? >LEU^J 13 -12.35 42.01 91.40 -10.33 42.40 92.05 -11.34 42.21 91.73 3 0 1000.00 -999 ? >GLU^J 14 -16.28 39.54 87.60 -17.38 38.55 86.08 -16.83 39.04 86.84 2 0 1000.00 -999 ? >GLN^J 15 -18.85 39.44 93.78 -20.66 40.06 94.74 -19.75 39.75 94.26 2 0 1000.00 -999 ? >HIS^J 16 -14.69 33.41 93.90 -13.12 34.41 94.86 -13.91 33.91 94.38 3 0 1000.00 -999 ? >VAL^J 17 -19.77 31.95 95.16 -21.04 30.18 95.16 -20.41 31.07 95.16 3 0 1000.00 -999 ? >GLU^J 18 -14.76 31.17 96.53 -13.13 32.02 97.65 -13.94 31.60 97.09 2 0 1000.00 -999 ? >GLY^J 19 -17.14 34.72 98.80 -16.63 34.38 98.19 -16.89 34.55 98.50 1 0 1000.00 -999 ? >GLY^J 20 -14.53 37.24 97.73 -15.21 37.18 97.28 -14.87 37.21 97.50 1 0 1000.00 -999 ? >PHE^J 21 -15.28 41.21 95.09 -17.89 42.05 95.71 -16.59 41.63 95.40 3 0 1000.00 -999 ? >TYR^J 22 -12.36 35.29 91.45 -14.49 33.74 90.47 -13.42 34.51 90.96 3 0 1000.00 -999 ? >ARG^J 23 -10.26 39.80 86.00 -10.77 40.53 83.06 -10.51 40.16 84.53 2 0 1000.00 -999 ? >SER^J 24 -7.07 35.82 87.45 -5.94 34.21 86.04 -6.51 35.01 86.75 2 0 1000.00 -999 ? >SER^J 25 -3.98 37.91 86.85 -2.56 37.48 88.78 -3.27 37.69 87.82 2 0 1000.00 -999 ? >TYR^J 26 0.04 37.40 85.26 0.42 40.18 85.35 0.23 38.79 85.31 3 0 1000.00 -999 ? >ARG^J 27 -5.02 31.03 84.12 -4.61 28.95 81.89 -4.82 29.99 83.01 2 0 1000.00 -999 ? >SER^J 28 1.73 29.66 83.42 3.61 28.14 83.50 2.67 28.90 83.46 2 0 1000.00 -999 ? >GLU^J 29 2.02 31.29 78.38 2.83 32.34 76.74 2.43 31.82 77.56 2 0 1000.00 -999 ? >THR^J 30 4.16 25.97 80.76 6.20 25.92 81.44 5.18 25.95 81.10 2 0 1000.00 -999 ? >ALA^J 31 2.53 22.65 81.59 2.04 21.79 80.44 2.29 22.22 81.01 2 0 1000.00 -999 ? >PHE^J 32 2.33 20.07 87.18 3.09 18.72 89.50 2.71 19.39 88.34 3 0 1000.00 -999 ? >ASP^J 33 -0.16 16.80 84.71 0.83 16.46 86.56 0.33 16.63 85.64 2 0 1000.00 -999 ? >PRO^J 34 0.01 16.06 79.64 -0.97 17.49 81.04 -0.48 16.78 80.34 3 0 1000.00 -999 ? >SER^J 35 -4.13 18.57 83.02 -3.23 17.25 84.86 -3.68 17.91 83.94 2 0 1000.00 -999 ? >ARG^J 36 -4.64 19.57 87.17 -6.92 17.60 87.80 -5.78 18.59 87.48 2 0 1000.00 -999 ? >GLN^J 37 -2.27 26.42 83.21 -1.24 26.51 81.34 -1.75 26.46 82.28 2 0 1000.00 -999 ? >LEU^J 38 3.86 25.33 85.46 5.73 24.44 86.04 4.79 24.89 85.75 3 0 1000.00 -999 ? >TRP^J 39 4.04 29.11 87.43 2.31 32.62 86.91 3.17 30.86 87.17 3 0 1000.00 -999 ? >SER^J 40 -1.77 30.16 88.40 -3.61 29.00 89.50 -2.69 29.58 88.95 2 0 1000.00 -999 ? >SER^J 41 -2.30 33.51 90.11 -0.99 35.37 91.00 -1.64 34.44 90.56 2 0 1000.00 -999 ? >ILE^J 42 -6.64 34.94 91.26 -7.40 33.97 91.87 -7.02 34.46 91.56 3 0 1000.00 -999 ? >TYR^J 43 -5.61 40.71 91.56 -3.46 42.13 90.49 -4.54 41.42 91.03 3 0 1000.00 -999 ? >PHE^J 44 -9.53 36.49 97.67 -11.55 35.89 99.53 -10.54 36.19 98.60 3 0 1000.00 -999 ? >LEU^J 45 -10.71 42.31 96.79 -11.77 44.13 97.22 -11.24 43.22 97.01 3 0 1000.00 -999 ? >LEU^J 46 -11.82 40.21 101.91 -12.53 38.24 102.43 -12.17 39.22 102.17 3 0 1000.00 -999 ? >ARG^J 47 -18.03 45.41 99.91 -19.88 44.67 97.59 -18.96 45.04 98.75 2 0 1000.00 -999 ? >THR^J 48 -16.95 44.05 104.97 -17.56 45.77 106.12 -17.25 44.91 105.54 2 0 1000.00 -999 ? >GLY^J 49 -19.94 41.68 104.64 -19.27 41.59 104.19 -19.60 41.64 104.42 1 0 1000.00 -999 ? >GLU^J 50 -18.31 39.72 100.51 -18.81 37.83 99.71 -18.56 38.78 100.11 2 0 1000.00 -999 ? >VAL^J 51 -15.45 36.20 103.89 -16.43 35.89 105.82 -15.94 36.05 104.85 3 0 1000.00 -999 ? >SER^J 52 -13.80 33.28 102.11 -11.94 32.10 101.08 -12.87 32.69 101.59 2 0 1000.00 -999 ? >HIS^J 53 -18.37 30.74 101.91 -19.91 32.17 101.99 -19.14 31.45 101.95 3 0 1000.00 -999 ? >PHE^J 54 -14.38 26.64 106.63 -13.21 27.17 109.09 -13.80 26.91 107.86 3 0 1000.00 -999 ? >HIS^J 55 -12.15 27.11 100.04 -10.73 28.64 100.09 -11.44 27.87 100.07 3 0 1000.00 -999 ? >ARG^J 56 -9.59 18.89 101.10 -10.77 16.89 103.12 -10.18 17.89 102.11 2 0 1000.00 -999 ? >LEU^J 57 -6.85 23.81 97.29 -7.57 25.83 97.33 -7.21 24.82 97.31 3 0 1000.00 -999 ? >THR^J 58 -5.71 19.76 96.33 -5.86 18.30 94.73 -5.78 19.03 95.53 2 0 1000.00 -999 ? >ALA^J 59 -2.67 22.02 96.10 -2.45 22.56 94.71 -2.56 22.29 95.40 2 0 1000.00 -999 ? >ASP^J 60 0.98 24.18 98.39 1.46 22.65 99.81 1.22 23.42 99.10 2 0 1000.00 -999 ? >GLU^J 61 -3.55 29.69 97.78 -5.61 30.06 97.94 -4.58 29.88 97.86 2 0 1000.00 -999 ? >MET?J 62 0.58 30.93 98.55 3.87 30.68 99.79 2.22 30.81 99.17 2 0 1000.00 -999 ? >TRP^J 63 -3.05 31.97 100.62 -6.48 33.65 101.54 -4.76 32.81 101.08 3 0 1000.00 -999 ? >TYR^J 64 2.38 36.65 97.66 3.97 34.58 96.64 3.17 35.62 97.15 3 0 1000.00 -999 ? >PHE^J 65 -1.10 42.14 103.25 -2.76 44.29 103.97 -1.93 43.21 103.61 3 0 1000.00 -999 ? >HIS^J 66 -1.43 42.46 96.68 -0.35 41.37 95.25 -0.89 41.91 95.96 3 0 1000.00 -999 ? >ALA^J 67 -3.20 46.27 100.84 -3.55 47.26 99.72 -3.38 46.77 100.28 2 0 1000.00 -999 ? >GLY^J 68 -6.00 47.26 103.20 -5.34 46.90 103.41 -5.67 47.08 103.31 1 0 1000.00 -999 ? >GLN^J 69 -8.81 45.61 108.15 -8.27 47.65 108.50 -8.54 46.63 108.32 2 0 1000.00 -999 ? >SER^J 70 -5.05 42.43 107.76 -4.88 42.72 110.17 -4.96 42.58 108.97 2 0 1000.00 -999 ? >LEU^J 71 -6.60 38.30 106.12 -7.67 38.96 104.38 -7.13 38.63 105.25 3 0 1000.00 -999 ? >THR^J 72 -6.97 35.93 109.76 -7.62 36.00 111.82 -7.29 35.97 110.79 2 0 1000.00 -999 ? >ILE^J 73 -5.44 32.43 106.86 -4.82 32.33 105.58 -5.13 32.38 106.22 3 0 1000.00 -999 ? >TYR^J 74 -10.34 31.28 110.69 -11.17 33.65 111.91 -10.75 32.47 111.30 3 0 1000.00 -999 ? >MET?J 75 -7.40 26.31 108.87 -3.52 27.35 107.73 -5.46 26.83 108.30 2 0 1000.00 -999 ? >ILE^J 76 -10.52 22.90 110.08 -11.79 22.85 110.81 -11.15 22.87 110.44 3 0 1000.00 -999 ? >SER^J 77 -6.83 19.94 109.70 -6.20 19.31 111.98 -6.51 19.63 110.84 2 0 1000.00 -999 ? >PRO^J 78 -6.14 16.02 107.86 -7.87 17.18 108.68 -7.01 16.60 108.27 3 0 1000.00 -999 ? >GLU^J 79 -5.74 14.10 112.07 -4.65 15.05 110.54 -5.20 14.57 111.31 2 0 1000.00 -999 ? >GLY^J 80 -10.12 18.33 113.18 -9.39 18.45 113.18 -9.76 18.39 113.18 1 0 1000.00 -999 ? >GLU^J 81 -5.20 21.34 115.62 -3.12 20.82 115.76 -4.16 21.08 115.69 2 0 1000.00 -999 ? >LEU^J 82 -9.37 25.17 114.58 -9.89 27.19 113.99 -9.63 26.18 114.28 3 0 1000.00 -999 ? >THR^J 83 -5.11 26.73 113.68 -3.73 25.39 112.67 -4.42 26.06 113.17 2 0 1000.00 -999 ? >THR^J 84 -4.92 30.29 112.34 -6.10 31.20 113.97 -5.51 30.75 113.16 2 0 1000.00 -999 ? >ALA^J 85 -2.57 32.78 110.72 -1.93 32.24 109.45 -2.25 32.51 110.08 2 0 1000.00 -999 ? >GLN^J 86 -2.81 37.00 112.81 -4.79 37.78 112.59 -3.80 37.39 112.70 2 0 1000.00 -999 ? >LEU^J 87 -2.26 37.46 105.75 -1.53 36.92 103.80 -1.90 37.19 104.78 3 0 1000.00 -999 ? >GLY^J 88 -0.60 41.74 106.93 0.10 41.32 107.00 -0.25 41.53 106.97 1 0 1000.00 -999 ? >LEU^J 89 2.17 45.46 106.70 2.27 45.43 104.55 2.22 45.45 105.63 3 0 1000.00 -999 ? >ASP^J 90 0.64 44.81 112.22 0.90 45.51 114.20 0.77 45.16 113.21 2 0 1000.00 -999 ? >LEU^J 91 6.52 43.27 111.73 7.31 43.17 109.72 6.92 43.22 110.73 3 0 1000.00 -999 ? >ALA^J 92 4.76 43.69 115.92 4.26 45.03 116.45 4.51 44.36 116.18 2 0 1000.00 -999 ? >ALA^J 93 1.68 41.49 116.18 0.28 41.87 115.72 0.98 41.68 115.95 2 0 1000.00 -999 ? >GLY^J 94 2.00 37.98 114.77 1.79 38.63 114.37 1.90 38.30 114.57 1 0 1000.00 -999 ? >GLU^J 95 -0.88 40.67 111.13 -1.81 42.54 111.37 -1.34 41.61 111.25 2 0 1000.00 -999 ? >ARG^J 96 6.27 36.86 109.27 6.98 38.27 111.90 6.62 37.56 110.59 2 0 1000.00 -999 ? >PRO^J 97 4.75 41.07 105.12 3.35 39.36 105.17 4.05 40.21 105.15 3 0 1000.00 -999 ? >GLN^J 98 4.87 36.58 101.17 6.63 36.04 100.08 5.75 36.31 100.63 2 0 1000.00 -999 ? >PHE^J 99 0.23 31.81 106.06 -0.46 29.57 107.58 -0.11 30.69 106.82 3 0 1000.00 -999 ? >LEU^J 100 2.66 28.28 102.59 2.76 26.29 101.74 2.71 27.28 102.17 3 0 1000.00 -999 ? >VAL^J 101 -1.83 27.34 103.44 -3.72 27.96 102.65 -2.78 27.65 103.05 3 0 1000.00 -999 ? >PRO^J 102 -0.94 23.52 105.02 -1.07 24.36 102.98 -1.00 23.94 104.00 3 0 1000.00 -999 ? >LYS^J 103 -3.07 21.37 100.59 0.86 17.41 97.49 -1.11 19.39 99.04 2 0 1000.00 -999 ? >GLY^J 104 -5.51 19.43 102.75 -5.68 20.19 102.81 -5.59 19.81 102.78 1 0 1000.00 -999 ? >CYH^J 105 -7.01 21.77 105.29 -5.82 24.31 104.98 -6.42 23.04 105.13 2 0 1000.00 -999 ? >ILE^J 106 -11.60 22.53 105.69 -12.77 21.76 105.60 -12.18 22.14 105.64 3 0 1000.00 -999 ? >PHE^J 107 -7.66 27.39 103.64 -6.91 27.59 100.93 -7.28 27.49 102.28 3 0 1000.00 -999 ? >GLY^J 108 -11.54 30.12 105.45 -10.68 30.14 105.64 -11.11 30.13 105.55 1 0 1000.00 -999 ? >SER^J 109 -10.38 33.70 105.71 -8.69 34.90 104.42 -9.54 34.30 105.06 2 0 1000.00 -999 ? >ALA^J 110 -11.54 36.97 107.28 -12.41 36.57 108.44 -11.97 36.77 107.86 2 0 1000.00 -999 ? >MET?J 111 -10.48 40.57 107.83 -12.16 43.33 104.96 -11.32 41.95 106.39 2 0 1000.00 -999 ? >ASN^J 112 -7.85 41.41 111.84 -6.72 39.62 111.76 -7.28 40.51 111.80 2 0 1000.00 -999 ? >GLN^J 113 -10.51 46.55 112.59 -10.38 45.44 114.40 -10.45 46.00 113.50 2 0 1000.00 -999 ? >ASP^J 114 -14.90 47.20 109.80 -16.77 47.00 108.87 -15.83 47.10 109.34 2 0 1000.00 -999 ? >GLY^J 115 -12.69 47.65 105.80 -13.03 46.93 105.67 -12.86 47.29 105.73 1 0 1000.00 -999 ? >PHE^J 116 -10.29 47.79 101.32 -8.15 49.59 101.00 -9.22 48.69 101.16 3 0 1000.00 -999 ? >SER^J 117 -8.44 43.51 101.92 -8.49 42.57 104.20 -8.46 43.04 103.06 2 0 1000.00 -999 ? >LEU^J 118 -6.16 44.04 97.71 -6.27 43.44 95.61 -6.22 43.74 96.66 3 0 1000.00 -999 ? >VAL^J 119 -4.41 39.79 98.54 -4.53 38.24 100.10 -4.47 39.02 99.32 3 0 1000.00 -999 ? >GLY^J 120 -2.68 37.72 95.88 -2.80 37.34 96.69 -2.74 37.53 96.28 1 0 1000.00 -999 ? >CYH^J 121 -2.97 33.92 95.73 -5.03 33.97 97.63 -4.00 33.95 96.68 2 0 1000.00 -999 ? >MET?J 122 -0.81 31.45 93.92 1.99 29.53 93.23 0.59 30.49 93.58 2 0 1000.00 -999 ? >VAL^J 123 -1.65 27.74 93.87 -3.75 27.35 93.31 -2.70 27.54 93.59 3 0 1000.00 -999 ? >SER^J 124 1.22 25.99 92.11 3.39 25.10 91.70 2.30 25.54 91.91 2 0 1000.00 -999 ? >PRO^J 125 0.51 21.59 92.06 -0.10 23.47 91.01 0.20 22.53 91.53 3 0 1000.00 -999 ? >GLY^J 126 -2.53 25.52 88.45 -2.69 24.96 88.96 -2.61 25.24 88.70 1 0 1000.00 -999 ? >PHE^J 127 -7.76 27.00 91.33 -10.37 26.75 92.23 -9.07 26.87 91.78 3 0 1000.00 -999 ? >THR^J 128 -8.90 24.34 88.32 -7.88 22.63 87.46 -8.39 23.49 87.89 2 0 1000.00 -999 ? >PHE^J 129 -13.62 25.61 89.96 -13.75 28.39 90.33 -13.69 27.00 90.15 3 0 1000.00 -999 ? >ASP^J 130 -10.79 19.05 88.81 -12.26 18.57 87.32 -11.53 18.81 88.07 2 0 1000.00 -999 ? >ASP^J 131 -7.67 21.26 92.53 -7.02 20.57 90.64 -7.35 20.91 91.58 2 0 1000.00 -999 ? >PHE^J 132 -12.70 25.20 94.89 -13.88 27.14 96.50 -13.29 26.17 95.70 3 0 1000.00 -999 ? >GLU^J 133 -12.93 19.10 97.40 -12.25 17.46 98.56 -12.59 18.28 97.98 2 0 1000.00 -999 ? >LEU^J 134 -17.31 24.77 98.01 -18.13 26.67 98.65 -17.72 25.72 98.33 3 0 1000.00 -999 ? >PHE^J 135 -16.51 21.40 102.71 -14.23 19.99 101.96 -15.37 20.70 102.34 3 0 1000.00 -999 ? >SER^J 136 -22.00 23.37 103.40 -24.40 23.08 103.58 -23.20 23.22 103.49 2 0 1000.00 -999 ? >GLN^J 137 -22.96 26.26 108.79 -23.99 27.96 109.49 -23.47 27.11 109.14 2 0 1000.00 -999 ? >GLU^J 138 -26.92 22.11 107.50 -26.89 23.88 106.32 -26.90 22.99 106.91 2 0 1000.00 -999 ? >ALA^J 139 -21.73 19.30 106.74 -21.27 19.13 105.29 -21.50 19.22 106.02 2 0 1000.00 -999 ? >LEU^J 140 -18.79 22.83 108.15 -17.38 23.17 106.55 -18.08 23.00 107.35 3 0 1000.00 -999 ? >LEU^J 141 -22.32 21.74 112.23 -22.31 23.88 111.97 -22.31 22.81 112.10 3 0 1000.00 -999 ? >ALA^J 142 -21.29 17.25 111.59 -21.80 16.54 110.35 -21.55 16.89 110.97 2 0 1000.00 -999 ? >MET?J 143 -17.52 17.14 111.27 -16.50 17.83 107.00 -17.01 17.49 109.13 2 0 1000.00 -999 ? >TYR^J 144 -14.36 20.01 111.61 -12.82 18.87 109.59 -13.59 19.44 110.60 3 0 1000.00 -999 ? >PRO^J 145 -19.19 18.00 115.85 -18.29 20.04 115.66 -18.74 19.02 115.76 3 0 1000.00 -999 ? >GLN^J 146 -14.01 21.08 117.92 -14.40 19.37 116.68 -14.20 20.23 117.30 2 0 1000.00 -999 ? >HIS^J 147 -13.16 23.93 115.52 -11.43 22.97 116.22 -12.30 23.45 115.87 3 0 1000.00 -999 ? >LYS^J 148 -19.18 25.54 115.60 -24.63 25.00 116.31 -21.91 25.27 115.96 2 0 1000.00 -999 ? >ALA^J 149 -18.55 29.29 116.04 -18.01 29.94 117.30 -18.28 29.62 116.67 2 0 1000.00 -999 ? >VAL^J 150 -15.79 29.63 113.49 -13.90 28.61 113.19 -14.84 29.12 113.34 3 0 1000.00 -999 ? >VAL^J 151 -17.76 27.43 111.04 -18.06 25.27 110.86 -17.91 26.35 110.95 3 0 1000.00 -999 ? >GLN^J 152 -22.13 28.67 113.13 -23.59 29.05 114.61 -22.86 28.86 113.87 2 0 1000.00 -999 ? >LYS^J 153 -18.65 32.79 110.60 -15.80 35.88 112.26 -17.23 34.34 111.43 2 0 1000.00 -999 ? >LEU^J 154 -15.94 30.47 107.61 -14.03 31.49 107.69 -14.99 30.98 107.65 3 0 1000.00 -999 ? >SER^J 155 -20.49 29.58 105.96 -19.42 27.40 106.22 -19.96 28.49 106.09 2 0 1000.00 -999 ? >ARG^J 156 -23.89 32.82 102.22 -22.98 35.04 100.29 -23.43 33.93 101.26 2 0 1000.00 -999 ? >PRO^J 157 -27.76 29.50 107.51 -26.51 28.31 106.11 -27.13 28.91 106.81 3 0 1000.00 -999 ? >GLU^J 158 -31.67 28.20 102.64 -33.17 26.73 102.89 -32.42 27.46 102.77 2 0 1000.00 -999 ?