HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 14-OCT-09 3K8R COMPND UNCHARACTERIZED PROTEIN; COMPND 3 CHAIN: A, B; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: RHODOSPIRILLUM RUBRUM ATCC 11170; SOURCE 3 ORGANISM_TAXID: 269796; SOURCE 4 STRAIN: ATCC 11170 / NCIB 8255; SOURCE 5 GENE: RRU_A2416; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 7 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 8 EXPRESSION_SYSTEM_STRAIN: HK100; SOURCE 9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 10 EXPRESSION_SYSTEM_PLASMID: SPEEDET AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) HET MSE A 93 8 HET MSE A 103 8 HET MSE B 93 8 HET MSE B 103 8 HET EDO A 124 4 HET EDO A 125 4 SITE 1 AC1 3 ARG A 30 ASP A 41 LYS B 28 SITE 1 AC2 3 LEU A 87 SER A 88 ILE A 96 mGLU.A 23 -42.39 -42.97 -29.76 -43.35 -42.77 -29.94 -40.08 -42.01 -29.77 -40.49 -41.16 -30.55 -40.95 -43.26 -29.50 -40.51 -44.41 -30.41 2 0 15.84-999 ?-999 ?-999 ? O2 EDO A 125 mPRO.A 24 -38.91 -41.88 -29.09 -38.74 -42.58 -28.40 -36.82 -41.27 -30.28 -36.42 -42.44 -30.21 -37.96 -40.79 -29.37 -37.41 -40.45 -27.98 3 0 14.71-999 ?-999 ?-999 ? O2 EDO A 125 mARG.A 25 -36.27 -40.37 -31.09 -36.61 -39.43 -30.97 -34.20 -39.63 -32.19 -34.55 -38.46 -32.28 -35.25 -40.75 -32.06 -35.97 -41.04 -33.39 2 0 14.05-999 ?-999 ?-999 ? O2 EDO A 124 mALA^A 26 -32.92 -40.01 -32.20 -32.79 -41.00 -32.14 -31.75 -38.33 -33.65 -31.56 -38.99 -34.67 -31.83 -39.03 -32.30 -30.50 -39.69 -32.00 2 0 11.24-999 ?-999 ?-999 ? O2 EDO A 124 mALA^A 27 -31.90 -37.01 -33.65 -32.11 -36.62 -32.75 -30.32 -35.68 -35.01 -29.77 -35.62 -36.10 -31.77 -36.20 -34.87 -32.75 -35.04 -34.84 2 0 10.09-999 ?-999 ?-999 ? O2 EDO A 124 mLYS^A 28 -29.70 -35.32 -33.89 -30.27 -35.40 -33.07 -27.67 -35.34 -32.58 -28.35 -35.49 -31.57 -28.32 -34.86 -33.86 -28.27 -33.33 -33.88 2 0 7.84-999 ?-999 ?-999 ? O2 EDO A 124 mALA^A 29 -26.36 -35.55 -32.62 -25.96 -35.38 -33.52 -24.18 -35.37 -31.46 -23.52 -35.33 -32.49 -25.58 -35.99 -31.45 -25.46 -37.49 -31.45 2 0 8.06-999 ?-999 ?-999 ? O2 EDO A 124 mARG^A 30 -23.71 -34.90 -30.31 -24.34 -34.98 -29.53 -21.77 -34.41 -28.84 -22.49 -34.53 -27.84 -22.37 -34.32 -30.23 -22.41 -32.85 -30.65 2 0 -8.20-999 ?-999 ?-999 ? O2 EDO A 124s mTYR^A 31 -20.45 -34.37 -28.76 -19.97 -34.35 -29.64 -19.50 -32.90 -27.13 -18.99 -32.15 -27.95 -19.79 -34.36 -27.48 -18.51 -35.17 -27.49 3 0 10.23-999 ?-999 ?-999 ? O2 EDO A 124 mASP^A 32 -19.88 -32.51 -25.93 -20.34 -33.21 -25.39 -18.48 -31.32 -24.47 -18.61 -31.95 -23.43 -19.64 -31.17 -25.45 -20.91 -30.64 -24.77 2 0 9.31-999 ?-999 ?-999 ? O1 EDO A 124 mARG.A 33 -17.33 -30.77 -24.83 -17.34 -30.31 -25.72 -16.36 -30.11 -22.67 -15.93 -30.58 -21.61 -16.15 -30.86 -23.98 -14.93 -30.28 -24.68 2 0 12.59-999 ?-999 ?-999 ? O1 EDO A 124 mSER.A 34 -17.00 -28.95 -22.76 -17.29 -28.71 -23.69 -17.91 -28.90 -20.46 -17.40 -28.91 -19.34 -17.26 -28.12 -21.59 -18.15 -26.94 -21.97 2 0 11.61-999 ?-999 ?-999 ? O1 EDO A 124 mSER.A 35 -19.03 -29.57 -20.75 -19.31 -29.49 -21.71 -19.45 -31.83 -19.75 -20.07 -32.60 -19.01 -19.76 -30.33 -19.75 -21.26 -30.16 -19.97 2 0 10.65-999 ?-999 ?-999 ? O1 EDO A 124 mALA.A 36 -18.49 -32.25 -20.58 -18.07 -31.52 -21.12 -19.30 -34.57 -20.93 -19.30 -35.72 -20.48 -18.11 -33.66 -20.67 -17.40 -34.10 -19.41 2 0 12.84-999 ?-999 ?-999 ? O1 EDO A 124 mARG^A 37 -20.32 -34.08 -21.65 -20.19 -33.13 -21.95 -21.71 -35.02 -23.47 -21.20 -34.23 -24.27 -21.51 -34.88 -21.97 -22.78 -34.23 -21.42 2 0 10.69-999 ?-999 ?-999 ? O1 EDO A 124 mVAL^A 38 -22.49 -36.03 -23.85 -22.76 -36.64 -23.11 -24.31 -35.64 -25.29 -25.20 -36.19 -24.65 -22.90 -36.20 -25.23 -22.92 -37.67 -25.64 3 0 9.74-999 ?-999 ?-999 ? O2 EDO A 124 mILE^A 39 -24.51 -34.52 -25.99 -23.69 -34.15 -26.41 -26.58 -34.46 -27.34 -26.05 -34.38 -28.46 -25.85 -33.91 -26.10 -25.79 -32.37 -26.18 3 0 6.15-999 ?-999 ?-999 ? O2 EDO A 124 mVAL^A 40 -27.78 -35.00 -27.11 -28.07 -34.95 -26.15 -29.90 -34.84 -28.37 -30.74 -34.75 -27.47 -28.60 -35.61 -28.16 -28.99 -37.06 -27.82 3 0 6.68-999 ?-999 ?-999 ? O2 EDO A 124 mASP^A 41 -30.06 -34.29 -29.58 -29.29 -34.43 -30.19 -32.27 -34.54 -30.51 -32.10 -35.06 -31.62 -31.26 -33.56 -29.94 -30.95 -32.49 -30.99 2 0 -5.57-999 ?-999 ?-999 ? O2 EDO A 124s mLEU^A 42 -33.32 -34.81 -29.75 -33.33 -34.33 -28.87 -35.23 -35.10 -31.25 -35.52 -33.90 -31.21 -34.35 -35.74 -30.18 -35.18 -36.23 -29.00 3 0 9.16-999 ?-999 ?-999 ? O2 EDO A 124 mGLU.A 43 -35.68 -35.95 -32.17 -35.42 -36.90 -31.99 -37.83 -34.98 -32.93 -38.44 -34.23 -33.69 -36.47 -35.53 -33.32 -36.61 -36.72 -34.27 2 0 11.40-999 ?-999 ?-999 ? O2 EDO A 124 mASN.A 44 -38.30 -35.34 -31.75 -37.72 -35.99 -31.26 -39.41 -33.48 -30.49 -40.33 -33.05 -29.80 -39.56 -34.83 -31.21 -40.16 -35.85 -30.25 2 0 12.87-999 ?-999 ?-999 ? O2 EDO A 124 mGLY.A 45 -38.25 -32.83 -30.62 -37.57 -33.30 -31.18 -37.31 -31.57 -28.62 -36.83 -30.54 -28.17 -38.01 -31.54 -29.98-999.99-999.99-999.99 1 0 10.05-999 ?-999 ?-999 ? O2 EDO A 124 mCYH.A 46 -37.25 -32.72 -27.95 -37.67 -33.50 -28.42 -35.09 -32.97 -26.76 -34.57 -33.09 -27.88 -36.60 -32.80 -26.64 -37.17 -33.95 -25.82 2 0 8.98-999 ?-999 ?-999 ? C1 EDO A 124 mTHR^A 47 -34.41 -32.98 -25.60 -34.99 -32.88 -24.80 -32.54 -34.07 -24.41 -33.06 -33.99 -23.30 -32.95 -33.12 -25.53 -32.28 -31.77 -25.23 2 0 6.44-999 ?-999 ?-999 ? C1 EDO A 124 mPHE^A 48 -31.61 -34.97 -24.72 -31.30 -34.93 -25.67 -29.57 -35.80 -23.67 -28.91 -35.78 -24.70 -31.09 -35.92 -23.74 -31.50 -37.35 -24.10 3 0 8.47-999 ?-999 ?-999 ? C1 EDO A 124 mALA^A 49 -29.03 -35.70 -22.46 -29.69 -35.70 -21.71 -27.14 -36.71 -21.33 -27.77 -36.90 -20.29 -27.58 -35.61 -22.27 -27.19 -34.24 -21.71 2 0 8.59-999 ?-999 ?-999 ? C1 EDO A 124 mPHE^A 50 -26.08 -37.42 -21.69 -25.71 -37.19 -22.59 -24.00 -38.36 -20.82 -23.40 -38.00 -21.84 -25.51 -38.47 -20.83 -25.92 -39.85 -21.30 3 0 11.39-999 ?-999 ?-999 ? O2 EDO A 125 mPRO~A 51 -23.37 -38.61 -19.66 -23.96 -38.78 -18.87 -21.44 -39.94 -20.21 -21.64 -40.98 -19.59 -21.91 -38.62 -19.61 -21.60 -38.56 -18.13 3 0 12.76-999 ?-999 ?-999 ? O2 EDO A 125 mPRO~A 52 -20.81 -39.90 -21.39 -20.63 -38.97 -21.73 -19.41 -42.03 -21.42 -19.41 -43.23 -21.72 -20.41 -41.10 -22.12 -19.81 -40.54 -23.41 3 0 10.51-999 ?-999 ?-999 ? O1 EDO A 125 mARG~A 53 -18.58 -41.53 -20.51 -18.68 -40.54 -20.36 -18.27 -43.35 -18.81 -17.58 -44.18 -18.24 -17.61 -42.40 -19.81 -16.48 -41.60 -19.16 2 0 12.28-999 ?-999 ?-999 ? O1 EDO A 125 mLEU~A 54 -19.58 -43.22 -18.61 -19.99 -42.43 -19.05 -20.85 -45.33 -18.67 -21.37 -46.31 -18.14 -20.34 -44.17 -17.79 -21.53 -43.50 -17.11 3 0 10.54-999 ?-999 ?-999 ? O2 EDO A 125 mALA~A 55 -20.69 -45.20 -19.99 -20.20 -44.37 -20.26 -20.14 -47.23 -21.27 -18.95 -46.93 -21.38 -21.18 -46.19 -20.96 -21.62 -45.51 -22.25 2 0 7.28-999 ?-999 ?-999 ? O1 EDO A 125 mGLN.A 56 -20.61 -48.46 -21.46 -21.61 -48.54 -21.37 -19.06 -49.42 -23.11 -19.71 -49.33 -24.17 -19.74 -49.58 -21.76 -20.53 -50.88 -21.75 2 0 7.36-999 ?-999 ?-999 ? O1 EDO A 125 mGLY.A 57 -17.73 -49.42 -23.05 -17.36 -49.51 -22.13 -16.29 -47.94 -24.43 -15.47 -47.78 -25.33 -16.91 -49.31 -24.24-999.99-999.99-999.99 1 0 9.42-999 ?-999 ?-999 ? O1 EDO A 125 mLEU.A 58 -16.68 -46.97 -23.59 -17.35 -47.26 -22.91 -15.48 -45.10 -22.38 -15.07 -43.95 -22.29 -16.16 -45.59 -23.68 -17.29 -44.63 -24.09 3 0 10.87-999 ?-999 ?-999 ? O1 EDO A 125 mGLU.A 59 -15.32 -45.98 -21.39 -15.63 -46.91 -21.60 -13.40 -44.86 -20.22 -13.11 -43.98 -19.42 -14.73 -45.57 -20.10 -14.52 -46.76 -19.16 2 0 13.13-999 ?-999 ?-999 ? O1 EDO A 125 mGLY.A 60 -12.58 -45.25 -21.19 -12.95 -45.96 -21.79 -11.02 -43.82 -22.57 -9.90 -43.41 -22.83 -11.24 -44.68 -21.35-999.99-999.99-999.99 1 0 16.17-999 ?-999 ?-999 ? O1 EDO A 125 mALA.A 61 -12.07 -43.51 -23.32 -12.94 -43.89 -22.99 -11.56 -41.26 -24.21 -11.93 -40.74 -23.16 -11.93 -42.70 -24.53 -13.20 -42.73 -25.33 2 0 15.80-999 ?-999 ?-999 ? O1 EDO A 125 mSER~A 62 -10.83 -40.61 -25.12 -10.59 -41.15 -25.92 -11.51 -38.30 -25.47 -12.36 -38.72 -26.24 -10.44 -39.22 -24.93 -9.13 -38.95 -25.66 2 0 18.77-999 ?-999 ?-999 ? O1 EDO A 125 mASP~A 63 -11.47 -37.03 -25.08 -10.76 -36.83 -24.41 -12.41 -36.15 -27.12 -13.46 -36.36 -27.71 -12.41 -36.05 -25.61 -12.06 -34.63 -25.15 2 0 17.75-999 ?-999 ?-999 ? O2 EDO A 124 mASP~A 64 -11.23 -36.06 -27.73 -10.46 -35.90 -27.12 -11.87 -37.40 -29.71 -12.69 -37.27 -30.62 -11.10 -36.19 -29.19 -9.63 -36.32 -29.61 2 0 18.75-999 ?-999 ?-999 ? O2 EDO A 124 mGLN~A 65 -11.64 -38.56 -29.13 -10.96 -38.53 -28.38 -13.83 -39.71 -29.38 -14.57 -40.28 -30.17 -12.33 -39.77 -29.57 -11.77 -40.99 -28.86 2 0 17.47-999 ?-999 ?-999 ? O1 EDO A 125 mLEU~A 66 -14.29 -39.03 -28.33 -13.58 -38.60 -27.78 -16.50 -38.15 -29.09 -17.65 -38.46 -29.38 -15.73 -38.96 -28.05 -15.97 -38.44 -26.63 3 0 15.06-999 ?-999 ?-999 ? O1 EDO A 125 mCYH~A 67 -15.85 -37.15 -29.68 -14.91 -37.03 -29.35 -16.86 -37.06 -31.99 -17.64 -36.55 -32.77 -16.46 -36.33 -30.73 -15.49 -35.24 -31.15 2 0 14.17-999 ?-999 ?-999 ? O2 EDO A 124 mALA.A 68 -16.32 -38.26 -32.20 -15.70 -38.56 -31.48 -18.06 -39.60 -33.41 -18.42 -40.28 -34.37 -16.63 -39.03 -33.40 -15.61 -40.17 -33.58 2 0 16.18-999 ?-999 ?-999 ? O2 EDO A 124 mVAL.A 69 -18.85 -39.31 -32.38 -18.46 -38.70 -31.70 -20.98 -39.63 -33.55 -20.90 -38.55 -34.13 -20.19 -39.87 -32.28 -20.97 -39.32 -31.09 3 0 13.30-999 ?-999 ?-999 ? O1 EDO A 125 mGLU^A 70 -21.70 -40.67 -33.96 -21.61 -41.46 -33.36 -23.90 -41.34 -34.83 -23.99 -42.15 -33.91 -22.56 -40.69 -35.16 -21.92 -41.55 -36.26 2 0 13.73-999 ?-999 ?-999 ? O1 EDO A 125 mILE^A 71 -24.93 -40.99 -35.60 -24.71 -40.31 -36.29 -26.46 -42.67 -36.45 -26.25 -42.45 -37.64 -26.26 -41.57 -35.41 -27.38 -40.51 -35.55 3 0 12.86-999 ?-999 ?-999 ? O1 EDO A 125 mLEU^A 72 -26.83 -43.86 -35.99 -26.88 -43.91 -35.00 -28.44 -45.64 -36.42 -28.90 -45.40 -35.31 -27.13 -44.98 -36.89 -25.96 -45.98 -36.98 3 0 12.56-999 ?-999 ?-999 ? O1 EDO A 125 mGLY.A 73 -29.04 -46.45 -37.28 -28.51 -46.62 -38.11 -31.30 -45.97 -37.55 -30.83 -44.88 -37.92 -30.36 -47.03 -37.01-999.99-999.99-999.99 1 0 12.76-999 ?-999 ?-999 ? O1 EDO A 125 mGLN.A 74 -32.60 -46.26 -37.66 -32.87 -47.20 -37.43 -33.05 -43.96 -37.33 -32.96 -42.86 -37.89 -33.53 -45.21 -38.11 -35.00 -45.57 -37.84 2 0 15.42-999 ?-999 ?-999 ? O1 EDO A 125 mGLY.A 75 -32.71 -44.16 -36.06 -32.93 -45.08 -35.73 -32.05 -43.50 -33.76 -32.06 -42.62 -32.91 -32.08 -43.13 -35.24-999.99-999.99-999.99 1 0 13.18-999 ?-999 ?-999 ? O1 EDO A 125 mTYR.A 76 -32.01 -44.80 -33.46 -31.95 -45.40 -34.26 -30.68 -45.71 -31.55 -30.57 -46.17 -30.41 -32.05 -45.28 -32.08 -33.01 -46.47 -31.96 3 0 9.88-999 ?-999 ?-999 ? O1 EDO A 125 mGLY^A 77 -29.64 -45.55 -32.36 -29.87 -45.14 -33.25 -27.21 -44.88 -32.20 -27.17 -44.21 -33.25 -28.29 -45.93 -31.97-999.99-999.99-999.99 1 0 7.89-999 ?-999 ?-999 ? O1 EDO A 125 mLEU^A 78 -26.34 -44.76 -31.20 -26.55 -45.33 -30.41 -23.98 -44.77 -31.57 -23.79 -45.81 -30.92 -25.18 -43.88 -31.26 -25.02 -43.13 -29.94 3 0 8.26-999 ?-999 ?-999 ? O1 EDO A 125 mHIS^A 79 -23.19 -44.37 -32.56 -23.43 -43.47 -32.93 -20.76 -44.41 -33.05 -20.72 -43.21 -33.29 -22.08 -45.17 -33.06 -22.44 -45.62 -34.50 3 0 9.88-999 ?-999 ?-999 ? O1 EDO A 125 mTRP^A 80 -19.69 -45.14 -32.71 -19.93 -46.06 -32.41 -17.56 -45.67 -33.65 -17.32 -46.80 -33.22 -18.31 -44.65 -32.78 -17.67 -44.53 -31.40 3 0 11.99-999 ?-999 ?-999 ? O1 EDO A 125 mGLU.A 81 -17.22 -45.26 -34.86 -17.43 -44.30 -35.03 -15.26 -46.71 -35.41 -15.17 -47.92 -35.16 -16.59 -46.12 -35.87 -16.39 -45.32 -37.16 2 0 14.81-999 ?-999 ?-999 ? O1 EDO A 125 mTHR.A 82 -14.24 -45.86 -35.28 -14.48 -44.91 -35.46 -12.90 -47.10 -33.62 -12.28 -48.16 -33.55 -12.90 -46.31 -34.92 -11.91 -45.13 -34.81 2 0 16.85-999 ?-999 ?-999 ? O1 EDO A 125 mLEU.A 83 -13.59 -46.62 -32.59 -14.07 -45.76 -32.78 -14.48 -48.58 -31.36 -14.39 -49.43 -30.46 -13.63 -47.33 -31.32 -14.15 -46.42 -30.21 3 0 14.23-999 ?-999 ?-999 ? O1 EDO A 125 mASP.A 84 -15.31 -48.70 -32.39 -15.27 -47.93 -33.03 -17.12 -50.01 -31.32 -17.16 -51.06 -30.67 -16.19 -49.86 -32.54 -15.37 -51.13 -32.78 2 0 12.54-999 ?-999 ?-999 ? O1 EDO A 125 mVAL^A 85 -17.86 -48.95 -31.01 -17.70 -48.16 -31.60 -20.19 -48.56 -30.43 -20.31 -47.64 -31.24 -18.81 -48.96 -29.91 -18.38 -48.04 -28.77 3 0 8.88-999 ?-999 ?-999 ? O1 EDO A 125 mASP^A 86 -21.21 -49.29 -29.98 -20.93 -50.04 -29.38 -23.48 -49.01 -29.09 -23.53 -49.97 -28.34 -22.61 -49.04 -30.34 -23.11 -50.07 -31.35 2 0 6.39-999 ?-999 ?-999 ? O1 EDO A 125 mLEU^A 87 -24.14 -47.89 -28.86 -24.02 -47.17 -29.55 -26.40 -47.56 -28.16 -26.63 -47.06 -29.27 -24.98 -47.74 -27.68 -24.54 -46.53 -26.85 3 0 -3.26-999 ?-999 ?-999 ? O1 EDO A 125s mSER^A 88 -27.35 -47.97 -27.33 -27.00 -48.37 -26.48 -29.28 -46.56 -26.99 -29.03 -46.34 -25.82 -28.78 -47.83 -27.62 -29.53 -49.01 -27.01 2 0 -3.82-999 ?-999 ?-999 ? O1 EDO A 125s mLEU~A 89 -29.98 -45.71 -27.74 -30.08 -46.00 -28.69 -31.63 -44.78 -26.15 -31.60 -44.28 -25.01 -30.52 -44.46 -27.16 -31.04 -43.51 -28.26 3 0 6.74-999 ?-999 ?-999 ? O1 EDO A 125 mPRO~A 90 -32.59 -45.63 -26.54 -32.55 -45.99 -27.48 -33.04 -46.59 -24.31 -33.52 -46.29 -23.21 -33.63 -45.97 -25.57 -34.50 -46.98 -26.31 3 0 7.18-999 ?-999 ?-999 ? O2 EDO A 125 mGLY~A 91 -32.02 -47.43 -24.47 -31.76 -47.59 -25.42 -30.74 -47.01 -22.43 -30.96 -47.01 -21.22 -31.34 -48.06 -23.33-999.99-999.99-999.99 1 0 3.77-999 ?-999 ?-999 ? O2 EDO A 125 mLEU~A 92 -30.00 -46.08 -23.02 -29.92 -46.19 -24.01 -30.43 -44.15 -21.57 -30.24 -43.73 -20.43 -29.38 -44.99 -22.28 -28.52 -44.11 -23.20 3 0 4.73-999 ?-999 ?-999 ? O2 EDO A 125 mMETA 93 -31.56 -43.90 -22.23 -31.60 -44.31 -23.14 -33.34 -43.88 -20.51 -33.94 -43.28 -19.63 -32.62 -43.10 -21.62 -33.58 -42.58 -22.69 2 0 8.04-999 ?-999 ?-999 ? O2 EDO A 125 mALA~A 94 -33.26 -45.21 -20.55 -32.76 -45.56 -21.34 -32.92 -46.19 -18.32 -33.29 -46.76 -17.29 -33.85 -46.06 -19.52 -34.14 -47.43 -20.08 2 0 7.75-999 ?-999 ?-999 ? O2 EDO A 125 mGLY.A 95 -31.70 -45.66 -18.45 -31.54 -45.20 -19.32 -29.83 -47.00 -17.55 -29.10 -47.35 -16.63 -30.71 -45.77 -17.39-999.99-999.99-999.99 1 0 7.33-999 ?-999 ?-999 ? O2 EDO A 125 mILE.A 96 -29.88 -47.64 -18.71 -30.52 -47.25 -19.37 -27.79 -48.41 -19.74 -27.87 -47.96 -20.88 -29.06 -48.82 -18.98 -29.83 -49.86 -19.80 3 0 -4.32-999 ?-999 ?-999 ? O2 EDO A 125s mPHE.A 97 -26.64 -48.60 -19.10 -26.74 -49.00 -18.19 -24.51 -49.41 -20.19 -23.43 -49.21 -20.74 -25.35 -48.23 -19.70 -24.52 -47.43 -18.70 3 0 4.34-999 ?-999 ?-999 ? O2 EDO A 125 mGLY.A 98 -24.97 -50.63 -19.99 -25.85 -50.69 -19.51 -24.83 -53.08 -20.08 -25.91 -53.10 -19.49 -24.21 -51.77 -20.47-999.99-999.99-999.99 1 0 4.74-999 ?-999 ?-999 ? C2 EDO A 125 mTHR~A 99 -24.15 -54.17 -20.42 -23.30 -53.99 -20.92 -24.54 -55.68 -18.59 -23.72 -55.06 -17.93 -24.60 -55.51 -20.10 -23.73 -56.59 -20.79 2 0 6.67-999 ?-999 ?-999 ? C2 EDO A 125 mLYS~A 100 -25.43 -56.49 -18.03 -26.09 -56.90 -18.66 -24.11 -57.39 -16.19 -23.61 -57.17 -15.09 -25.42 -56.72 -16.60 -26.63 -57.53 -16.16 2 0 9.50-999 ?-999 ?-999 ? C2 EDO A 125 mALA~A 101 -23.55 -58.19 -17.10 -24.08 -58.31 -17.94 -21.19 -57.79 -16.64 -20.34 -57.95 -15.76 -22.27 -58.84 -16.86 -21.90 -59.72 -18.04 2 0 11.84-999 ?-999 ?-999 ? C2 EDO A 125 mTRP~A 102 -21.23 -56.73 -17.43 -21.98 -56.76 -18.09 -20.45 -54.81 -16.08 -19.48 -54.54 -15.37 -20.27 -55.63 -17.36 -20.40 -54.77 -18.61 3 0 10.82-999 ?-999 ?-999 ? C2 EDO A 125 mMETA 103 -21.69 -54.44 -15.79 -22.38 -54.70 -16.46 -21.50 -54.46 -13.35 -20.90 -53.88 -12.45 -21.98 -53.69 -14.57 -23.47 -53.40 -14.47 2 0 11.05-999 ?-999 ?-999 ? C2 EDO A 125 mALA~A 104 -21.74 -55.76 -13.34 -22.26 -56.09 -14.14 -19.75 -56.65 -12.14 -19.23 -56.80 -11.03 -21.28 -56.62 -12.26 -21.83 -58.03 -12.43 2 0 14.27-999 ?-999 ?-999 ? C2 EDO A 125 mLYS~A 105 -19.03 -56.52 -13.25 -19.58 -56.42 -14.08 -17.06 -55.11 -12.86 -16.27 -54.51 -13.59 -17.56 -56.51 -13.24 -16.98 -56.95 -14.59 2 0 15.55-999 ?-999 ?-999 ? C2 EDO A 125 mARG.A 106 -17.53 -54.61 -11.72 -18.17 -55.23 -11.26 -17.16 -53.33 -9.63 -17.74 -52.44 -8.99 -17.17 -53.30 -11.17 -18.13 -52.24 -11.68 2 0 16.44-999 ?-999 ?-999 ? C2 EDO A 125 mALA.A 107 -16.50 -54.34 -9.06 -16.08 -54.96 -9.72 -15.44 -53.54 -6.96 -14.80 -53.85 -5.95 -16.42 -54.53 -7.60 -16.03 -56.00 -7.26 2 0 19.90-999 ?-999 ?-999 ? C2 EDO A 125 mASN.B 22 -33.62 -49.34 -10.91 -33.92 -49.18 -9.97 -33.61 -48.48 -13.26 -33.42 -48.58 -14.47 -33.17 -49.58 -12.31 -33.78 -50.89 -12.81 2 0 12.02-999 ?-999 ?-999 ? O2 EDO A 125 mGLU.B 23 -34.18 -47.41 -12.70 -34.14 -47.40 -11.70 -34.16 -44.98 -13.29 -33.64 -44.70 -12.21 -34.81 -46.36 -13.50 -36.27 -46.28 -13.05 2 0 12.23-999 ?-999 ?-999 ? O2 EDO A 125 mPRO.B 24 -34.19 -44.11 -14.32 -34.56 -44.45 -15.19 -34.70 -42.01 -13.25 -35.91 -42.20 -13.41 -33.69 -42.76 -14.12 -33.69 -42.17 -15.52 3 0 12.60-999 ?-999 ?-999 ? O2 EDO A 125 mARG.B 25 -34.22 -41.17 -12.36 -33.23 -41.02 -12.39 -34.70 -39.04 -11.24 -33.53 -38.73 -11.02 -35.09 -40.51 -11.41 -35.02 -41.31 -10.10 2 0 16.36-999 ?-999 ?-999 ? O2 EDO A 125 mALA^B 26 -35.67 -38.13 -11.35 -36.58 -38.52 -11.48 -34.77 -36.25 -9.96 -35.38 -36.43 -8.91 -35.37 -36.70 -11.28 -36.61 -35.88 -11.60 2 0 18.56-999 ?-999 ?-999 ? C1 EDO A 124 mALA^B 27 -33.58 -35.67 -10.01 -33.17 -35.66 -10.92 -33.30 -33.62 -8.71 -33.48 -33.09 -7.62 -32.94 -35.10 -8.82 -31.45 -35.26 -8.89 2 0 19.15-999 ?-999 ?-999 ? O1 EDO A 124 mLYS^B 28 -33.40 -32.94 -9.84 -33.22 -33.48 -10.66 -34.51 -31.24 -11.11 -34.35 -31.92 -12.12 -33.73 -31.52 -9.87 -32.47 -30.65 -9.90 2 0 -17.26-999 ?-999 ?-999 ? O1 EDO A 124s mALA^B 29 -35.34 -30.20 -11.05 -35.36 -29.74 -10.16 -36.31 -28.29 -12.16 -36.53 -27.74 -11.10 -36.15 -29.79 -12.19 -37.52 -30.44 -12.12 2 0 15.86-999 ?-999 ?-999 ? O1 EDO A 124 mARG^B 30 -36.20 -27.64 -13.31 -35.96 -28.22 -14.09 -36.94 -25.78 -14.78 -36.92 -26.57 -15.73 -36.42 -26.19 -13.40 -35.11 -25.45 -13.11 2 0 14.83-999 ?-999 ?-999 ? O1 EDO A 124 mTYR^B 31 -37.43 -24.54 -14.88 -37.52 -24.04 -14.02 -36.76 -22.95 -16.56 -36.56 -21.98 -15.82 -37.81 -24.01 -16.19 -39.22 -23.42 -16.23 3 0 13.93-999 ?-999 ?-999 ? O1 EDO A 124 mASP^B 32 -36.07 -23.16 -17.68 -36.30 -24.00 -18.16 -35.73 -21.27 -19.11 -36.11 -21.65 -20.21 -35.06 -22.23 -18.15 -33.94 -22.98 -18.86 2 0 11.41-999 ?-999 ?-999 ? O1 EDO A 124 mARG.B 33 -35.87 -20.01 -18.69 -35.50 -19.83 -17.79 -35.73 -18.74 -20.78 -36.29 -18.56 -21.85 -36.53 -19.02 -19.54 -36.73 -17.71 -18.80 2 0 13.30-999 ?-999 ?-999 ? O1 EDO A 124 mSER.B 34 -34.42 -18.68 -20.64 -34.10 -18.83 -19.70 -33.79 -19.38 -22.92 -34.09 -18.94 -24.02 -33.53 -18.42 -21.75 -32.08 -18.55 -21.29 2 0 11.12-999 ?-999 ?-999 ? O1 EDO A 124 mSER.B 35 -33.70 -20.68 -22.66 -33.48 -20.89 -21.70 -35.34 -22.18 -23.82 -35.62 -23.05 -24.64 -33.90 -21.70 -23.70 -33.03 -22.91 -23.41 2 0 8.30-999 ?-999 ?-999 ? O1 EDO A 124 mALA.B 36 -36.24 -21.63 -23.00 -35.85 -20.94 -22.39 -37.84 -23.52 -22.91 -38.58 -24.13 -23.69 -37.66 -22.00 -23.01 -38.34 -21.47 -24.23 2 0 11.24-999 ?-999 ?-999 ? O1 EDO A 124 mARG^B 37 -37.15 -24.11 -21.93 -36.60 -23.48 -21.38 -37.29 -25.86 -20.21 -36.82 -25.10 -19.36 -37.19 -25.55 -21.69 -35.89 -26.20 -22.16 2 0 9.95-999 ?-999 ?-999 ? C1 EDO A 124 mVAL^B 38 -37.90 -27.01 -19.92 -38.33 -27.45 -20.71 -36.74 -28.51 -18.59 -36.69 -29.44 -19.39 -37.94 -27.56 -18.58 -39.22 -28.37 -18.32 3 0 12.03-999 ?-999 ?-999 ? C1 EDO A 124 mILE^B 39 -35.75 -28.24 -17.75 -35.91 -27.45 -17.17 -34.60 -29.92 -16.45 -34.73 -29.40 -15.34 -34.54 -29.06 -17.69 -33.26 -28.18 -17.68 3 0 10.36-999 ?-999 ?-999 ? O1 EDO A 124 mVAL^B 40 -34.53 -31.24 -16.64 -34.47 -31.51 -17.60 -33.20 -32.86 -15.42 -32.72 -33.48 -16.37 -34.56 -32.20 -15.54 -35.58 -33.31 -15.76 3 0 12.93-999 ?-999 ?-999 ? O1 EDO A 124 mASP^B 41 -32.59 -32.73 -14.24 -33.10 -32.19 -13.57 -31.53 -34.64 -13.27 -31.97 -34.69 -12.11 -31.29 -33.31 -13.96 -30.48 -32.41 -13.05 2 0 13.50-999 ?-999 ?-999 ? O1 EDO A 124 mLEU^B 42 -31.26 -35.73 -13.99 -30.90 -35.55 -14.90 -30.41 -37.44 -12.44 -29.29 -36.93 -12.47 -31.48 -37.06 -13.45 -31.56 -38.10 -14.56 3 0 15.96-999 ?-999 ?-999 ? C1 EDO A 124 mGLU.B 43 -30.78 -38.36 -11.57 -31.68 -38.76 -11.77 -28.76 -39.62 -10.82 -27.88 -39.84 -9.99 -29.97 -38.77 -10.43 -30.85 -39.53 -9.45 2 0 16.65-999 ?-999 ?-999 ? O2 EDO A 125 mASN.B 44 -28.72 -40.08 -12.07 -29.51 -39.83 -12.62 -26.66 -40.07 -13.42 -25.84 -40.65 -14.14 -27.61 -40.88 -12.56 -28.13 -42.06 -13.38 2 0 13.52-999 ?-999 ?-999 ? O2 EDO A 125 mGLY.B 45 -26.78 -38.75 -13.39 -27.52 -38.42 -12.80 -26.42 -37.46 -15.52 -25.75 -36.73 -16.26 -25.91 -37.87 -14.15-999.99-999.99-999.99 1 0 14.70-999 ?-999 ?-999 ? O2 EDO A 125 mCYH.B 46 -27.59 -37.95 -15.90 -28.03 -38.57 -15.25 -29.08 -36.39 -17.05 -29.50 -36.05 -15.93 -28.14 -37.57 -17.20 -28.87 -38.72 -17.85 2 0 13.19-999 ?-999 ?-999 ? C1 EDO A 124 mTHR^B 47 -29.40 -35.79 -18.19 -28.98 -36.19 -19.01 -31.30 -34.84 -19.35 -30.99 -35.41 -20.42 -30.27 -34.63 -18.25 -29.46 -33.33 -18.55 2 0 10.52-999 ?-999 ?-999 ? C1 EDO A 124 mPHE^B 48 -32.52 -34.41 -19.08 -32.62 -34.04 -18.16 -34.25 -33.09 -20.04 -34.44 -32.50 -18.98 -33.61 -34.47 -20.04 -34.63 -35.53 -19.66 3 0 10.13-999 ?-999 ?-999 ? C1 EDO A 124 mALA^B 49 -34.53 -32.58 -21.23 -34.29 -33.16 -22.00 -36.28 -31.39 -22.34 -36.21 -32.18 -23.27 -35.14 -31.27 -21.36 -34.12 -30.27 -21.87 2 0 8.63-999 ?-999 ?-999 ? C1 EDO A 124 mPHE^B 50 -37.35 -30.61 -22.13 -37.30 -30.05 -21.30 -39.10 -29.25 -23.15 -39.13 -28.51 -22.16 -38.48 -30.62 -23.05 -39.54 -31.68 -22.67 3 0 10.47-999 ?-999 ?-999 ? C1 EDO A 124 mPRO~B 51 -39.54 -28.87 -24.35 -39.37 -29.50 -25.11 -41.62 -27.82 -23.89 -42.34 -28.68 -24.38 -40.24 -27.58 -24.48 -40.30 -27.34 -25.98 3 0 11.56-999 ?-999 ?-999 ? C1 EDO A 124 mPRO~B 52 -41.98 -27.04 -22.86 -41.34 -26.30 -22.66 -44.48 -27.27 -22.91 -45.46 -27.90 -22.51 -43.21 -27.28 -22.09 -43.23 -26.12 -21.10 3 0 15.01-999 ?-999 ?-999 ? C1 EDO A 124 mARG~B 53 -44.49 -26.58 -24.05 -43.64 -26.12 -24.29 -45.72 -27.66 -25.88 -46.06 -27.44 -27.03 -45.70 -26.56 -24.85 -46.01 -25.15 -25.36 2 0 16.98-999 ?-999 ?-999 ? C1 EDO A 124 mLEU~B 54 -45.26 -28.82 -25.43 -44.77 -28.73 -24.57 -46.24 -30.95 -25.12 -46.85 -31.93 -25.52 -45.44 -30.09 -26.11 -44.12 -30.81 -26.43 3 0 16.67-999 ?-999 ?-999 ? C1 EDO A 124 mALA~B 55 -46.23 -30.58 -23.84 -45.72 -29.74 -23.67 -48.31 -30.89 -22.52 -48.58 -29.70 -22.31 -46.89 -31.34 -22.78 -46.09 -31.26 -21.50 2 0 18.64-999 ?-999 ?-999 ? C1 EDO A 124 mGLN.B 56 -49.22 -31.87 -22.53 -48.83 -32.76 -22.77 -50.72 -31.19 -20.79 -50.23 -31.84 -19.86 -50.62 -31.67 -22.23 -51.38 -33.00 -22.38 2 0 22.42-999 ?-999 ?-999 ? C1 EDO A 124 mGLY.B 57 -51.35 -30.03 -20.62 -51.67 -29.60 -21.46 -50.83 -28.12 -19.17 -51.35 -27.21 -18.55 -51.53 -29.44 -19.30-999.99-999.99-999.99 1 0 23.79-999 ?-999 ?-999 ? C1 EDO A 124 mLEU.B 58 -49.66 -28.00 -19.80 -49.40 -28.81 -20.33 -49.11 -25.72 -20.78 -48.58 -24.60 -20.71 -48.83 -26.79 -19.70 -47.35 -27.17 -19.69 3 0 21.11-999 ?-999 ?-999 ? C1 EDO A 124 mGLU.B 59 -49.95 -26.06 -21.75 -50.25 -27.01 -21.70 -50.72 -23.77 -22.14 -51.40 -23.73 -21.11 -50.38 -25.11 -22.78 -51.67 -25.59 -23.39 2 0 22.03-999 ?-999 ?-999 ? C1 EDO A 124 mGLY.B 60 -50.26 -22.68 -22.76 -49.70 -22.87 -23.56 -50.20 -21.04 -20.85 -50.80 -20.17 -20.25 -50.57 -21.34 -22.29-999.99-999.99-999.99 1 0 23.13-999 ?-999 ?-999 ? C1 EDO A 124 mALA.B 61 -49.24 -21.75 -20.28 -48.87 -22.49 -20.86 -47.74 -20.35 -19.06 -46.91 -20.39 -19.95 -48.78 -21.46 -18.93 -48.15 -22.68 -18.28 2 0 22.32-999 ?-999 ?-999 ? C1 EDO A 124 mSER~B 62 -47.78 -19.35 -18.18 -48.51 -19.41 -17.51 -45.44 -18.76 -17.75 -45.35 -19.80 -17.10 -46.80 -18.27 -18.25 -47.24 -17.09 -17.39 2 0 22.03-999 ?-999 ?-999 ? O1 EDO A 124 mASP~B 63 -44.38 -18.00 -18.07 -44.58 -17.21 -18.65 -43.11 -18.46 -16.09 -42.69 -19.47 -15.55 -43.04 -18.34 -17.61 -42.00 -17.28 -18.02 2 0 19.18-999 ?-999 ?-999 ? O1 EDO A 124 mASP~B 64 -43.68 -17.45 -15.42 -43.98 -16.69 -15.99 -44.48 -18.81 -13.48 -43.99 -19.44 -12.54 -43.84 -17.49 -13.95 -44.68 -16.31 -13.41 2 0 21.92-999 ?-999 ?-999 ? O1 EDO A 124 mGLN~B 65 -45.57 -19.22 -14.14 -45.86 -18.61 -14.87 -45.37 -21.70 -13.99 -45.34 -22.61 -13.16 -46.26 -20.47 -13.78 -47.57 -20.63 -14.58 2 0 22.73-999 ?-999 ?-999 ? O1 EDO A 124 mLEU~B 66 -44.64 -21.74 -15.10 -44.75 -20.94 -15.70 -42.65 -23.08 -14.32 -42.33 -24.22 -13.98 -43.75 -22.86 -15.39 -43.15 -22.70 -16.79 3 0 19.22-999 ?-999 ?-999 ? O1 EDO A 124 mCYH~B 67 -42.12 -22.02 -13.75 -42.46 -21.15 -14.10 -41.51 -22.92 -11.49 -40.65 -23.39 -10.77 -41.11 -22.14 -12.69 -40.82 -20.78 -12.11 2 0 19.06-999 ?-999 ?-999 ? O1 EDO A 124 mALA.B 68 -42.80 -23.02 -11.24 -43.39 -22.61 -11.93 -42.97 -25.19 -9.98 -43.19 -25.82 -8.94 -43.26 -23.68 -10.03 -44.76 -23.42 -9.87 2 0 22.05-999 ?-999 ?-999 ? O1 EDO A 124 mVAL.B 69 -42.42 -25.75 -11.07 -42.21 -25.10 -11.80 -41.51 -27.76 -9.89 -40.62 -27.14 -9.32 -42.17 -27.20 -11.15 -41.36 -27.59 -12.43 3 0 20.18-999 ?-999 ?-999 ? O1 EDO A 124 mGLU^B 70 -42.03 -28.92 -9.45 -42.80 -29.21 -10.02 -41.40 -31.17 -8.66 -42.01 -31.64 -9.62 -41.57 -29.70 -8.28 -42.61 -29.68 -7.18 2 0 22.08-999 ?-999 ?-999 ? O1 EDO A 124 mILE^B 71 -40.61 -31.89 -7.88 -40.18 -31.38 -7.14 -41.23 -34.09 -7.06 -41.20 -33.77 -5.87 -40.41 -33.33 -8.10 -38.92 -33.72 -8.00 3 0 22.24-999 ?-999 ?-999 ? O1 EDO A 124 mLEU^B 72 -41.99 -35.08 -7.53 -41.96 -35.18 -8.53 -42.67 -37.41 -7.11 -41.91 -37.72 -8.03 -42.79 -35.95 -6.66 -44.25 -35.46 -6.58 3 0 25.41-999 ?-999 ?-999 ? C1 EDO A 124 mGLY.B 73 -43.41 -38.30 -6.47 -44.06 -37.91 -5.82 -42.00 -40.00 -5.91 -41.74 -39.29 -4.92 -43.26 -39.74 -6.71-999.99-999.99-999.99 1 0 24.47-999 ?-999 ?-999 ? O2 EDO A 125 mGLN.B 74 -41.20 -40.99 -6.28 -41.54 -41.60 -7.00 -39.21 -39.90 -6.25 -38.85 -38.94 -5.57 -39.91 -41.10 -5.61 -39.22 -42.44 -5.87 2 0 22.80-999 ?-999 ?-999 ? O2 EDO A 125 mGLY.B 75 -39.11 -39.96 -7.57 -39.41 -40.83 -7.96 -39.03 -39.09 -9.82 -38.33 -38.67 -10.75 -38.61 -38.85 -8.37-999.99-999.99-999.99 1 0 21.06-999 ?-999 ?-999 ? O2 EDO A 125 mTYR.B 76 -40.19 -39.74 -10.00 -40.67 -39.96 -9.15 -41.73 -39.13 -11.89 -42.04 -39.19 -13.08 -40.69 -40.10 -11.32 -41.26 -41.51 -11.31 3 0 19.75-999 ?-999 ?-999 ? O2 EDO A 125 mGLY^B 77 -42.26 -38.25 -11.05 -41.93 -38.30 -10.11 -42.82 -35.85 -11.40 -42.06 -35.48 -10.51 -43.26 -37.30 -11.50-999.99-999.99-999.99 1 0 22.66-999 ?-999 ?-999 ? C1 EDO A 124 mLEU^B 78 -43.27 -35.04 -12.36 -43.77 -35.52 -13.09 -44.39 -33.04 -11.94 -45.42 -33.44 -12.48 -43.04 -33.61 -12.35 -42.62 -33.09 -13.72 3 0 20.71-999 ?-999 ?-999 ? C1 EDO A 124 mHIS^B 79 -44.39 -32.12 -10.98 -43.48 -31.83 -10.69 -45.69 -30.07 -10.38 -44.69 -29.40 -10.13 -45.63 -31.59 -10.41 -45.74 -32.15 -8.98 3 0 23.45-999 ?-999 ?-999 ? C1 EDO A 124 mTRP^B 80 -46.88 -29.53 -10.67 -47.55 -30.22 -10.96 -48.45 -28.00 -9.72 -49.54 -28.33 -10.18 -47.18 -28.10 -10.57 -47.41 -27.46 -11.94 3 0 24.24-999 ?-999 ?-999 ? C1 EDO A 124 mGLU.B 81 -48.28 -27.55 -8.47 -47.33 -27.29 -8.27 -50.50 -26.55 -7.94 -51.63 -27.02 -8.12 -49.36 -27.46 -7.48 -48.79 -26.95 -6.14 2 0 27.93-999 ?-999 ?-999 ? C1 EDO A 124 mTHR.B 82 -50.22 -25.27 -8.17 -49.25 -25.03 -8.06 -51.95 -24.66 -9.86 -53.16 -24.57 -9.95 -51.26 -24.31 -8.54 -50.72 -22.87 -8.60 2 0 28.93-999 ?-999 ?-999 ? O1 EDO A 124 mLEU.B 83 -51.19 -25.07 -10.87 -50.21 -25.08 -10.67 -52.47 -26.83 -12.10 -53.25 -27.16 -12.99 -51.77 -25.48 -12.16 -50.68 -25.61 -13.23 3 0 27.13-999 ?-999 ?-999 ? C1 EDO A 124 mASP.B 84 -52.17 -27.62 -11.07 -51.55 -27.20 -10.41 -52.37 -29.82 -12.17 -53.26 -30.38 -12.81 -52.70 -28.97 -10.93 -54.21 -28.97 -10.66 2 0 28.45-999 ?-999 ?-999 ? C1 EDO A 124 mVAL^B 85 -51.08 -29.88 -12.49 -50.49 -29.31 -11.92 -49.54 -31.67 -13.03 -48.71 -31.29 -12.21 -50.59 -30.71 -13.58 -50.01 -29.86 -14.73 3 0 25.37-999 ?-999 ?-999 ? C1 EDO A 124 mASP^B 86 -49.61 -32.92 -13.47 -50.35 -33.07 -14.12 -48.24 -34.75 -14.27 -49.06 -35.42 -14.89 -48.68 -33.97 -13.05 -49.36 -34.92 -12.06 2 0 24.60-999 ?-999 ?-999 ? C1 EDO A 124 mLEU^B 87 -46.96 -34.66 -14.61 -46.41 -34.10 -13.99 -45.50 -36.49 -15.37 -44.73 -36.38 -14.42 -46.41 -35.34 -15.78 -45.62 -34.34 -16.64 3 0 21.73-999 ?-999 ?-999 ? C1 EDO A 124 mSER^B 88 -45.60 -37.61 -16.09 -46.29 -37.57 -16.81 -43.40 -38.62 -16.49 -43.32 -38.57 -17.72 -44.76 -38.78 -15.84 -45.43 -40.02 -16.44 2 0 21.25-999 ?-999 ?-999 ? O2 EDO A 125 mLEU~B 89 -42.33 -38.55 -15.71 -42.50 -38.62 -14.73 -40.70 -39.52 -17.32 -40.27 -39.27 -18.46 -40.99 -38.38 -16.33 -39.89 -38.23 -15.28 3 0 18.44-999 ?-999 ?-999 ? O2 EDO A 125 mPRO~B 90 -40.96 -40.77 -16.92 -41.28 -40.88 -15.98 -41.61 -41.73 -19.13 -41.15 -42.09 -20.22 -40.75 -41.87 -17.86 -41.17 -43.10 -17.06 3 0 15.84-999 ?-999 ?-999 ? O2 EDO A 125 mGLY~B 91 -42.84 -41.24 -18.98 -43.08 -41.03 -18.03 -43.17 -40.00 -21.06 -43.10 -40.22 -22.27 -43.74 -41.04 -20.11-999.99-999.99-999.99 1 0 18.21-999 ?-999 ?-999 ? O2 EDO A 125 mLEU~B 92 -42.75 -38.87 -20.49 -42.90 -38.84 -19.50 -40.89 -38.31 -22.01 -40.75 -38.05 -23.21 -42.13 -37.80 -21.26 -41.76 -36.62 -20.33 3 0 17.16-999 ?-999 ?-999 ? C1 EDO A 124 mMETB 93 -40.02 -39.05 -21.33 -40.27 -39.19 -20.37 -39.12 -40.74 -22.94 -38.31 -41.05 -23.80 -38.81 -39.61 -21.96 -37.80 -40.07 -20.91 2 0 14.75-999 ?-999 ?-999 ? O2 EDO A 125 mALA~B 94 -40.30 -41.35 -22.82 -40.83 -41.04 -22.03 -41.36 -41.70 -24.98 -41.61 -42.36 -25.99 -40.74 -42.37 -23.75 -41.76 -43.26 -23.09 2 0 14.72-999 ?-999 ?-999 ? O2 EDO A 125 mGLY~B 95 -41.60 -40.39 -24.90 -41.34 -39.98 -24.02 -43.69 -39.42 -25.85 -44.34 -38.92 -26.78 -42.20 -39.63 -26.00-999.99-999.99-999.99 1 0 17.55-999 ?-999 ?-999 ? C1 EDO A 124 mILE.B 96 -44.26 -39.78 -24.69 -43.61 -40.16 -24.03 -45.90 -38.31 -23.68 -45.50 -38.18 -22.52 -45.68 -39.62 -24.43 -46.25 -40.79 -23.60 3 0 20.40-999 ?-999 ?-999 ? O2 EDO A 125 mPHE.B 97 -46.52 -37.34 -24.34 -46.80 -37.60 -25.27 -48.24 -35.76 -23.45 -48.61 -34.67 -23.00 -46.77 -36.01 -23.76 -46.33 -34.92 -24.72 3 0 19.70-999 ?-999 ?-999 ? C1 EDO A 124 mGLY.B 98 -49.08 -36.74 -23.72 -48.66 -37.56 -24.11 -51.24 -37.80 -23.95 -50.64 -38.83 -24.28 -50.50 -36.59 -23.46-999.99-999.99-999.99 1 0 23.38-999 ?-999 ?-999 ? C1 EDO A 124 mTHR.B 99 -52.55 -37.67 -24.02 -52.90 -36.78 -23.73 -53.30 -38.89 -26.01 -52.90 -37.94 -26.69 -53.39 -38.76 -24.48 -54.82 -38.52 -24.01 2 0 26.76-999 ?-999 ?-999 ? C1 EDO A 124 mLYS.B 100 -53.62 -40.08 -26.54 -53.86 -40.78 -25.87 -54.40 -39.17 -28.66 -53.92 -38.53 -29.60 -53.62 -40.30 -27.99 -54.25 -41.65 -28.38 2 0 27.57-999 ?-999 ?-999 ? C1 EDO A 124 mALA.B 101 -55.61 -38.94 -28.13 -55.84 -39.57 -27.39 -55.78 -36.53 -28.63 -55.90 -35.76 -29.59 -56.51 -37.88 -28.60 -57.76 -37.79 -27.70 2 0 29.35-999 ?-999 ?-999 ? C1 EDO A 124 mTRP.B 102 -55.01 -36.27 -27.58 -54.97 -37.00 -26.90 -53.07 -34.83 -28.39 -52.51 -33.73 -28.49 -54.28 -35.01 -27.45 -53.86 -34.79 -25.99 3 0 26.32-999 ?-999 ?-999 ? C1 EDO A 124 mMETB 103 -52.53 -35.93 -28.85 -53.04 -36.77 -28.68 -51.54 -35.81 -31.02 -51.11 -36.67 -31.77 -51.26 -35.87 -29.54 -50.42 -37.10 -29.23 2 0 23.86-999 ?-999 ?-999 ? C1 EDO A 124 mALA.B 104 -52.28 -34.79 -31.42 -52.43 -34.08 -30.73 -53.19 -33.29 -33.09 -52.32 -32.47 -33.36 -52.83 -34.72 -32.75 -54.04 -35.60 -32.82 2 0 25.43-999 ?-999 ?-999 ? O2 EDO A 124