HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 08-JAN-06 2DCL COMPND HYPOTHETICAL UPF0166 PROTEIN PH1503; COMPND 3 CHAIN: A, B, C; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS HORIKOSHII; SOURCE 3 ORGANISM_TAXID: 53953; SOURCE 4 GENE: PH1503; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3); SOURCE 6 EXPRESSION_SYSTEM_TAXID: 469008; SOURCE 7 EXPRESSION_SYSTEM_STRAIN: BL21(DE3); SOURCE 8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 9 EXPRESSION_SYSTEM_PLASMID: PET11A AUTHOR B.BAGAUTDINOV,N.KUNISHIMA,RIKEN STRUCTURAL GENOMICS/PROTEOMICS AUTHOR 2 INITIATIVE (RSGI) HET AMP A 901 23 HET AMP B 902 23 HET AMP B 903 23 SITE 1 AC1 11 ALA A 41 GLY A 42 ALA A 43 THR A 44 SITE 1 AC2 10 TYR A 15 GLY A 51 PHE A 52 GLY A 53 SITE 1 AC3 13 TYR B 15 GLY B 51 PHE B 52 PRO B 71 mVAL.A 2 22.76 -51.45 -27.75 23.28 -51.49 -28.61 20.50 -51.31 -26.77 20.10 -51.19 -27.93 22.00 -51.40 -26.48 22.46 -50.19 -25.60 3 0 20.96-999 ?-999 ?-999 ? N7 AMP A 901 mGLU.A 3 19.68 -51.37 -25.73 20.14 -51.44 -24.84 17.54 -50.18 -25.19 17.92 -49.77 -24.09 18.23 -51.34 -25.88 17.61 -52.64 -25.34 2 0 17.66-999 ?-999 ?-999 ? N7 AMP A 901 mVAL.A 4 16.51 -49.65 -25.84 16.32 -50.08 -26.73 14.27 -48.87 -25.61 13.99 -49.82 -26.34 15.73 -48.55 -25.31 16.11 -47.21 -25.96 3 0 14.23-999 ?-999 ?-999 ? N6 AMP A 901 mGLU.A 5 13.34 -48.11 -25.05 13.69 -47.39 -24.45 11.48 -47.55 -26.52 10.78 -48.08 -27.40 11.93 -48.35 -25.31 11.07 -47.98 -24.10 2 0 11.29-999 ?-999 ?-999 ? N6 AMP A 901 mHIS.A 6 11.88 -46.28 -26.57 12.43 -46.00 -25.78 12.50 -44.20 -27.76 12.91 -43.63 -26.75 11.54 -45.38 -27.66 10.14 -44.78 -27.48 3 0 11.22-999 ?-999 ?-999 ? N6 AMP A 901 mTRP.A 7 12.85 -43.82 -28.99 12.46 -44.39 -29.72 12.90 -41.60 -29.95 13.45 -40.63 -30.46 13.71 -42.67 -29.22 14.92 -43.05 -30.07 3 0 13.40-999 ?-999 ?-999 ? N6 AMP A 901 mASN.A 8 11.58 -41.79 -29.98 11.28 -42.59 -29.47 9.66 -40.23 -29.75 8.69 -39.61 -30.19 10.67 -40.90 -30.69 9.90 -41.73 -31.70 2 0 12.77-999 ?-999 ?-999 ? N6 AMP A 901 mTHR^A 9 9.89 -40.37 -28.46 10.72 -40.88 -28.24 9.22 -38.34 -27.16 10.27 -37.78 -27.45 8.99 -39.81 -27.46 9.12 -40.62 -26.16 2 0 9.39-999 ?-999 ?-999 ? N6 AMP A 901 mLEU^A 10 8.20 -37.72 -26.58 7.41 -38.31 -26.43 7.72 -36.23 -24.77 6.91 -37.05 -24.36 8.26 -36.32 -26.19 7.36 -35.45 -27.09 3 0 9.62-999 ?-999 ?-999 ? N6 AMP A 901 mARG^A 11 8.16 -35.22 -24.04 8.83 -34.64 -24.51 6.78 -33.75 -22.74 7.18 -32.67 -23.15 7.71 -34.96 -22.68 8.92 -34.65 -21.80 2 0 7.66-999 ?-999 ?-999 ? N1 AMP A 901 mLEU^A 12 5.52 -33.95 -22.36 5.32 -34.88 -22.07 4.41 -32.33 -20.96 4.25 -33.11 -20.02 4.54 -32.87 -22.38 3.18 -33.40 -22.89 3 0 8.48-999 ?-999 ?-999 ? N1 AMP A 901 mARG^A 13 4.47 -31.02 -20.79 4.62 -30.49 -21.62 3.24 -29.37 -19.42 3.33 -28.34 -20.09 4.32 -30.44 -19.45 5.65 -29.88 -18.91 2 0 9.62-999 ?-999 ?-999 ? C2 AMP A 901 mILE^A 14 2.23 -29.64 -18.61 2.32 -30.51 -18.12 1.15 -28.06 -17.11 1.02 -28.69 -16.05 1.09 -28.77 -18.46 -0.20 -29.60 -18.56 3 0 8.10-999 ?-999 ?-999 ? O4' AMP B 902 mTYR^A 15 1.35 -26.75 -17.16 1.44 -26.38 -18.09 0.11 -25.19 -15.74 -0.29 -24.36 -16.55 1.42 -25.92 -15.97 2.53 -24.88 -16.13 3 0 -4.44-999 ?-999 ?-999 ? O4' AMP B 902s mILE^A 16 -0.56 -25.50 -14.63 -0.12 -26.19 -14.06 -1.83 -24.39 -12.86 -0.79 -24.32 -12.20 -1.82 -24.85 -14.31 -3.01 -25.80 -14.54 3 0 4.67-999 ?-999 ?-999 ? C5' AMP B 902 mGLY^A 17 -3.02 -24.06 -12.37 -3.78 -24.15 -13.01 -3.95 -24.61 -10.21 -4.98 -25.10 -10.67 -3.16 -23.60 -11.01-999.99-999.99-999.99 1 0 5.58-999 ?-999 ?-999 ? O3' AMP B 902 mGLU.A 18 -3.44 -24.94 -9.03 -2.58 -24.47 -8.81 -5.56 -25.58 -7.97 -6.39 -26.47 -7.85 -4.07 -25.90 -8.13 -3.36 -25.87 -6.75 2 0 8.20-999 ?-999 ?-999 ? O3' AMP B 902 mASN.A 19 -5.88 -24.29 -8.01 -5.10 -23.67 -8.15 -8.05 -23.71 -9.14 -9.27 -23.48 -9.10 -7.25 -23.83 -7.84 -7.25 -22.51 -7.08 2 0 9.73-999 ?-999 ?-999 ? O1P AMP B 902 mASP.A 20 -7.38 -23.86 -10.28 -6.40 -24.03 -10.17 -9.12 -24.89 -11.59 -8.87 -26.02 -11.18 -8.06 -23.80 -11.57 -7.07 -24.00 -12.71 2 0 8.73-999 ?-999 ?-999 ? O3P AMP B 902 mLYS^A 21 -10.29 -24.53 -12.09 -10.33 -23.60 -12.43 -12.00 -25.63 -13.53 -11.73 -24.83 -14.42 -11.41 -25.46 -12.12 -12.48 -24.95 -11.13 2 0 12.11-999 ?-999 ?-999 ? O3P AMP B 902 mTRP^A 22 -12.78 -26.68 -13.72 -12.89 -27.26 -12.91 -14.77 -27.61 -14.77 -14.84 -28.72 -14.23 -13.42 -26.94 -15.00 -12.54 -27.84 -15.88 3 0 14.34-999 ?-999 ?-999 ? O3P AMP B 902 mGLU.A 23 -15.83 -26.92 -15.18 -15.61 -26.05 -15.62 -17.44 -27.77 -13.54 -18.30 -28.60 -13.23 -17.19 -27.42 -15.00 -17.45 -28.65 -15.87 2 0 17.79-999 ?-999 ?-999 ? O3P AMP B 902 mGLY.A 24 -16.69 -27.13 -12.64 -16.02 -26.49 -13.03 -15.78 -28.20 -10.54 -15.71 -28.21 -9.31 -16.85 -27.37 -11.22-999.99-999.99-999.99 1 0 17.81-999 ?-999 ?-999 ? O3P AMP B 902 mARG^A 25 -14.95 -28.90 -11.32 -15.12 -28.79 -12.30 -12.48 -29.16 -10.96 -12.29 -28.19 -11.69 -13.88 -29.74 -10.77 -13.94 -31.14 -11.38 2 0 16.90-999 ?-999 ?-999 ? O3P AMP B 902 mPRO^A 26 -11.47 -29.75 -10.28 -11.75 -30.51 -9.70 -9.54 -29.58 -11.78 -9.57 -30.72 -12.24 -10.08 -29.29 -10.39 -9.36 -30.12 -9.32 3 0 14.17-999 ?-999 ?-999 ? O3P AMP B 902 mLEU~A 27 -9.05 -28.55 -12.45 -9.07 -27.69 -11.95 -7.52 -29.81 -13.99 -7.48 -30.43 -15.05 -8.53 -28.68 -13.81 -7.90 -27.36 -14.25 3 0 12.04-999 ?-999 ?-999 ? C5' AMP B 902 mTYR~A 28 -6.70 -30.09 -12.98 -6.82 -29.55 -12.15 -6.35 -32.54 -13.04 -5.96 -33.46 -13.76 -5.72 -31.16 -13.15 -4.55 -30.99 -12.17 3 0 12.12-999 ?-999 ?-999 ? C4' AMP B 902 mLYS~A 29 -7.33 -32.68 -12.15 -7.54 -31.86 -11.62 -8.78 -34.28 -13.28 -8.87 -35.44 -13.68 -8.01 -33.96 -11.99 -8.98 -33.91 -10.81 2 0 14.37-999 ?-999 ?-999 ? O2' AMP A 901 mVAL~A 30 -9.34 -33.25 -13.92 -9.19 -32.36 -13.49 -9.19 -33.85 -16.30 -9.50 -34.75 -17.07 -10.11 -33.45 -15.15 -10.91 -32.16 -15.56 3 0 16.10-999 ?-999 ?-999 ? C2 AMP A 901 mILE~A 31 -8.04 -33.17 -16.40 -7.91 -32.46 -15.71 -6.60 -34.92 -17.32 -6.64 -35.68 -18.28 -7.08 -33.48 -17.44 -5.87 -32.55 -17.36 3 0 13.25-999 ?-999 ?-999 ? C2 AMP A 901 mVAL~A 32 -6.15 -35.29 -16.12 -6.18 -34.58 -15.42 -6.72 -37.69 -16.27 -6.39 -38.74 -16.82 -5.66 -36.65 -15.90 -5.24 -36.85 -14.43 3 0 10.77-999 ?-999 ?-999 ? C2 AMP A 901 mGLU~A 33 -7.98 -37.38 -15.97 -8.09 -36.50 -15.51 -9.08 -38.47 -17.80 -9.06 -39.59 -18.30 -9.09 -38.27 -16.28 -10.41 -37.64 -15.84 2 0 13.78-999 ?-999 ?-999 ? C2 AMP A 901 mLYS~A 34 -9.07 -37.35 -18.51 -9.09 -36.51 -17.97 -7.89 -38.25 -20.44 -8.11 -39.26 -21.11 -9.03 -37.36 -19.97 -8.83 -35.94 -20.49 2 0 13.87-999 ?-999 ?-999 ? N1 AMP A 901 mLEU~A 35 -6.66 -37.87 -20.07 -6.65 -37.04 -19.52 -5.59 -40.10 -20.23 -5.05 -40.90 -21.00 -5.45 -38.60 -20.43 -4.27 -38.10 -19.60 3 0 10.24-999 ?-999 ?-999 ? N1 AMP A 901 mARG~A 36 -6.30 -40.49 -19.18 -6.70 -39.74 -18.64 -7.52 -42.56 -19.76 -7.46 -43.76 -20.02 -6.47 -41.90 -18.86 -6.87 -42.04 -17.39 2 0 10.79-999 ?-999 ?-999 ? N6 AMP A 901 mGLU~A 37 -8.46 -41.76 -20.25 -8.39 -40.80 -19.98 -9.10 -42.25 -22.59 -9.72 -42.90 -23.43 -9.50 -42.30 -21.11 -10.82 -41.57 -20.84 2 0 13.85-999 ?-999 ?-999 ? N6 AMP A 901 mMET~A 38 -8.08 -41.46 -22.91 -7.68 -40.96 -22.14 -6.52 -42.43 -24.51 -5.98 -42.57 -25.60 -7.59 -41.36 -24.29 -6.98 -39.98 -24.55 2 0 12.74-999 ?-999 ?-999 ? N6 AMP A 901 mGLY.A 39 -6.22 -43.18 -23.45 -6.73 -42.96 -22.62 -3.77 -43.78 -23.58 -2.94 -44.44 -24.22 -5.22 -44.24 -23.53-999.99-999.99-999.99 1 0 10.43-999 ?-999 ?-999 ? N6 AMP A 901 mILE.A 40 -3.45 -42.68 -22.90 -4.22 -42.25 -22.43 -1.15 -43.07 -22.05 -1.58 -43.69 -21.08 -2.08 -42.17 -22.88 -2.03 -40.71 -22.34 3 0 7.10-999 ?-999 ?-999 ? N6 AMP A 901 mALA.A 41 0.12 -43.13 -22.46 0.31 -42.56 -23.25 1.06 -43.85 -20.27 1.03 -44.86 -19.57 1.12 -43.96 -21.79 2.53 -43.59 -22.29 2 0 -4.15-999 ?-999 ?-999 ? N6 AMP A 901s mGLY.A 42 1.03 -42.62 -19.77 1.06 -41.89 -20.45 1.09 -40.93 -18.05 1.17 -40.11 -18.97 0.97 -42.40 -18.34-999.99-999.99-999.99 1 0 -3.55-999 ?-999 ?-999 ? C6 AMP A 901s mALA^A 43 1.11 -40.58 -16.77 1.03 -41.34 -16.13 1.75 -39.07 -14.95 1.59 -39.98 -14.14 1.22 -39.18 -16.38 -0.13 -38.50 -16.48 2 0 -3.47-999 ?-999 ?-999 ? C2 AMP A 901s mTHR^A 44 2.40 -37.94 -14.65 2.49 -37.31 -15.42 2.56 -36.25 -12.98 2.86 -35.34 -13.76 2.92 -37.69 -13.31 4.45 -37.95 -13.22 2 0 -4.23-999 ?-999 ?-999 ? O2' AMP A 901s mVAL^A 45 1.89 -36.03 -11.85 1.69 -36.85 -11.32 2.34 -34.17 -10.26 2.54 -34.88 -9.28 1.51 -34.68 -11.44 0.02 -34.60 -11.02 3 0 7.40-999 ?-999 ?-999 ? O2' AMP A 901 mTYR^A 46 2.81 -32.93 -10.38 2.57 -32.48 -11.24 2.91 -31.05 -8.84 2.13 -30.42 -9.55 3.60 -32.30 -9.34 4.97 -31.84 -9.86 3 0 9.67-999 ?-999 ?-999 ? O2' AMP A 901 mARG^A 47 3.24 -30.67 -7.61 3.90 -31.27 -7.14 3.87 -28.67 -6.50 4.59 -29.12 -5.61 2.68 -29.48 -7.02 1.75 -29.85 -5.88 2 0 9.46-999 ?-999 ?-999 ? O3' AMP B 902 mGLY.A 48 4.12 -27.51 -7.10 3.49 -27.26 -7.83 4.90 -26.08 -5.33 3.79 -26.27 -4.82 5.24 -26.69 -6.67-999.99-999.99-999.99 1 0 7.43-999 ?-999 ?-999 ? O2' AMP B 902 mILE.A 49 5.84 -25.35 -4.75 6.70 -25.28 -5.25 5.21 -23.26 -3.74 4.55 -22.61 -2.94 5.59 -24.71 -3.46 6.84 -24.77 -2.53 3 0 8.87-999 ?-999 ?-999 ? O2' AMP B 902 mTYR^A 50 5.62 -22.78 -4.90 6.16 -23.41 -5.46 5.49 -21.25 -6.80 6.32 -21.92 -7.41 5.31 -21.42 -5.30 6.21 -20.40 -4.59 3 0 6.23-999 ?-999 ?-999 ? O2' AMP B 902 mGLY^A 51 4.72 -20.34 -7.36 4.08 -19.88 -6.75 4.14 -18.76 -9.15 3.27 -18.27 -8.43 4.82 -20.06 -8.78-999.99-999.99-999.99 1 0 -2.89-999 ?-999 ?-999 ? O2' AMP B 902s mPHE^A 52 4.57 -18.18 -10.26 5.32 -18.65 -10.71 4.13 -16.98 -12.28 5.20 -17.32 -12.79 3.97 -16.95 -10.77 4.64 -15.71 -10.14 3 0 -4.14-999 ?-999 ?-999 ? C2' AMP B 902s mGLY.A 53 3.05 -16.66 -12.99 2.24 -16.42 -12.46 2.55 -15.41 -15.06 2.95 -14.30 -14.70 3.10 -16.67 -14.45-999.99-999.99-999.99 1 0 -3.03-999 ?-999 ?-999 ? O2P AMP B 902s mTHR.A 68 -2.66 -18.96 -0.99 -2.81 -19.17 -0.02 -2.47 -19.91 -3.28 -2.59 -21.04 -2.83 -2.44 -18.66 -2.39 -1.10 -17.93 -2.54 2 0 9.99-999 ?-999 ?-999 ? O3' AMP B 902 mASP.A 69 -2.40 -19.62 -4.59 -2.31 -18.65 -4.80 -1.14 -21.44 -5.72 -0.05 -20.88 -5.81 -2.45 -20.65 -5.64 -2.63 -19.86 -6.95 2 0 6.95-999 ?-999 ?-999 ? O3' AMP B 902 mLEU.A 70 -1.25 -22.79 -5.65 -2.16 -23.14 -5.45 -0.03 -24.15 -7.32 -1.01 -24.65 -7.86 -0.07 -23.64 -5.87 -0.21 -24.85 -4.94 3 0 6.18-999 ?-999 ?-999 ? O3' AMP B 902 mPRO^A 71 1.15 -24.01 -7.96 1.88 -23.58 -7.43 1.15 -25.97 -9.42 1.63 -26.71 -8.57 1.31 -24.46 -9.33 2.71 -24.09 -9.80 3 0 -3.93-999 ?-999 ?-999 ? O3' AMP B 902s mILE^A 72 0.45 -26.41 -10.45 0.09 -25.71 -11.05 0.77 -28.15 -12.03 0.40 -27.51 -13.01 0.25 -27.83 -10.65 -1.24 -28.17 -10.51 3 0 7.02-999 ?-999 ?-999 ? O3' AMP B 902 mILE^A 73 1.64 -29.15 -12.10 1.83 -29.59 -11.23 1.94 -31.01 -13.68 2.34 -31.90 -12.94 2.26 -29.53 -13.36 3.81 -29.37 -13.29 3 0 7.56-999 ?-999 ?-999 ? O4' AMP B 902 mVAL^A 74 1.21 -31.25 -14.78 0.89 -30.44 -15.27 1.97 -32.89 -16.24 2.09 -32.12 -17.21 0.94 -32.63 -15.17 -0.39 -32.94 -15.88 3 0 8.21-999 ?-999 ?-999 ? C2 AMP A 901 mGLU^A 75 2.69 -33.99 -16.09 2.48 -34.54 -15.28 3.30 -35.61 -17.75 2.81 -36.55 -17.12 3.71 -34.34 -17.03 5.03 -34.54 -16.31 2 0 -5.48-999 ?-999 ?-999 ? C2 AMP A 901s mVAL^A 76 3.52 -35.64 -19.05 3.95 -34.82 -19.42 4.26 -37.10 -20.86 4.70 -36.22 -21.59 3.16 -36.80 -19.86 1.84 -36.53 -20.62 3 0 4.03-999 ?-999 ?-999 ? N1 AMP A 901 mVAL^A 77 4.72 -38.35 -20.88 4.29 -38.95 -20.20 5.09 -39.83 -22.74 4.55 -40.82 -22.26 5.75 -38.79 -21.82 6.95 -39.42 -21.09 3 0 -4.07-999 ?-999 ?-999 ? N1 AMP A 901s mASP^A 78 5.14 -39.62 -24.04 5.64 -38.80 -24.33 4.86 -40.22 -26.38 5.60 -39.27 -26.63 4.48 -40.56 -24.94 2.95 -40.37 -24.73 2 0 5.48-999 ?-999 ?-999 ? N6 AMP A 901 mARG^A 79 4.32 -40.98 -27.33 3.74 -41.72 -27.00 4.16 -39.30 -29.01 3.10 -38.88 -28.56 4.60 -40.71 -28.73 3.81 -41.67 -29.58 2 0 9.15-999 ?-999 ?-999 ? N6 AMP A 901 mGLY~A 80 4.98 -38.55 -29.75 5.81 -39.00 -30.08 3.28 -37.07 -30.71 2.68 -36.00 -30.84 4.63 -37.17 -30.02-999.99-999.99-999.99 1 0 11.48-999 ?-999 ?-999 ? N6 AMP A 901 mHIS~A 81 2.80 -38.23 -31.12 3.37 -39.02 -30.87 0.33 -38.49 -30.93 -0.80 -38.25 -31.36 1.56 -38.35 -31.84 1.78 -39.50 -32.81 3 0 13.02-999 ?-999 ?-999 ? N6 AMP A 901 mASN~A 82 0.57 -38.85 -29.68 1.53 -39.05 -29.49 -0.46 -37.57 -27.99 -1.50 -36.98 -27.70 -0.49 -38.94 -28.68 -0.19 -40.04 -27.66 2 0 10.67-999 ?-999 ?-999 ? N6 AMP A 901 mILE~A 83 0.76 -37.07 -27.75 1.51 -37.66 -28.05 0.13 -34.70 -27.83 -0.55 -33.90 -27.19 0.93 -35.78 -27.10 2.44 -35.35 -27.05 3 0 10.36-999 ?-999 ?-999 ? N6 AMP A 901 mGLU~A 84 0.21 -34.67 -29.15 0.80 -35.37 -29.56 -2.04 -33.93 -29.81 -2.83 -32.99 -29.76 -0.54 -33.68 -29.91 -0.08 -33.66 -31.35 2 0 14.14-999 ?-999 ?-999 ? N6 AMP A 901 mLYS~A 85 -2.42 -35.19 -29.78 -1.68 -35.86 -29.85 -4.28 -34.93 -28.30 -5.38 -34.39 -28.18 -3.83 -35.53 -29.64 -3.98 -37.06 -29.64 2 0 14.45-999 ?-999 ?-999 ? N6 AMP A 901 mVAL~A 86 -3.39 -35.01 -27.31 -2.53 -35.46 -27.57 -3.69 -32.96 -25.95 -4.52 -32.37 -25.26 -3.66 -34.49 -25.98 -2.60 -34.97 -24.96 3 0 12.58-999 ?-999 ?-999 ? N1 AMP A 901 mVAL~A 87 -2.78 -32.34 -26.69 -2.17 -32.96 -27.19 -4.00 -30.27 -27.24 -4.53 -29.36 -26.61 -2.69 -30.89 -26.75 -1.56 -30.43 -27.70 3 0 14.52-999 ?-999 ?-999 ? N1 AMP A 901 mASN~A 88 -4.50 -30.79 -28.36 -3.96 -31.53 -28.76 -6.87 -30.25 -27.90 -7.48 -29.21 -27.66 -5.74 -30.29 -28.93 -6.16 -31.15 -30.13 2 0 17.79-999 ?-999 ?-999 ? N1 AMP A 901 mVAL~A 89 -7.13 -31.40 -27.28 -6.52 -32.15 -27.55 -8.04 -30.75 -25.00 -8.98 -30.69 -24.21 -8.19 -31.54 -26.30 -8.38 -33.01 -25.89 3 0 17.31-999 ?-999 ?-999 ? N1 AMP A 901 mILE~A 90 -6.88 -30.15 -24.78 -6.20 -30.26 -25.51 -6.39 -27.90 -23.77 -6.62 -27.09 -22.87 -6.64 -29.39 -23.55 -5.45 -29.99 -22.76 3 0 14.44-999 ?-999 ?-999 ? C5' AMP B 902 mLYS~A 91 -5.91 -27.54 -24.96 -5.77 -28.30 -25.59 -6.76 -25.20 -24.88 -6.52 -24.08 -24.42 -5.62 -26.14 -25.28 -5.33 -25.99 -26.78 2 0 13.53-999 ?-999 ?-999 ? O3P AMP B 902 mPRO.A 92 -8.02 -25.63 -25.07 -8.11 -26.54 -25.46 -9.46 -24.73 -23.21 -9.85 -23.69 -22.68 -9.17 -24.78 -24.71 -10.32 -25.41 -25.49 3 0 13.91-999 ?-999 ?-999 ? O3P AMP B 902 mMET.A 93 -9.28 -25.87 -22.53 -8.95 -26.62 -23.10 -8.58 -25.11 -20.27 -8.90 -24.72 -19.15 -9.52 -25.98 -21.09 -9.37 -27.43 -20.63 2 0 12.46-999 ?-999 ?-999 ? O3P AMP B 902 mILE.A 94 -7.40 -24.84 -20.82 -7.28 -25.22 -21.74 -6.53 -22.55 -20.49 -5.78 -22.03 -21.31 -6.40 -24.04 -20.14 -4.98 -24.53 -20.51 3 0 8.96-999 ?-999 ?-999 ? O3P AMP B 902 mLYS.A 95 -7.48 -21.88 -19.85 -8.02 -22.42 -19.20 -6.47 -19.64 -19.88 -6.23 -18.65 -20.59 -7.71 -20.47 -20.10 -8.81 -19.96 -19.19 2 0 8.30-999 ?-999 ?-999 ? O3P AMP B 902 mASP.A 96 -5.67 -20.03 -18.91 -5.96 -20.84 -18.40 -3.54 -20.22 -17.88 -3.95 -20.88 -16.93 -4.45 -19.26 -18.64 -4.78 -17.95 -17.90 2 0 4.87-999 ?-999 ?-999 ? O3P AMP B 902 mGLY.A 97 -2.31 -20.32 -18.38 -2.15 -19.73 -19.17 -0.20 -21.36 -18.87 0.17 -20.39 -19.53 -1.29 -21.19 -17.82-999.99-999.99-999.99 1 0 3.90-999 ?-999 ?-999 ? C5' AMP B 902 mMET^A 98 0.30 -22.58 -19.03 -0.10 -23.28 -18.44 1.53 -24.31 -20.35 1.38 -25.17 -19.48 1.35 -22.83 -20.02 2.69 -22.27 -19.52 2 0 5.77-999 ?-999 ?-999 ? C8 AMP B 902 mILE^A 99 1.84 -24.58 -21.61 1.90 -23.78 -22.20 3.44 -25.96 -22.77 3.79 -25.07 -23.55 2.08 -25.94 -22.09 1.01 -26.39 -23.09 3 0 8.78-999 ?-999 ?-999 ? O4' AMP B 902 mTHR^A 100 4.20 -27.01 -22.48 3.79 -27.68 -21.86 5.78 -28.55 -23.53 5.14 -29.49 -23.07 5.53 -27.13 -23.05 6.61 -26.73 -22.03 2 0 9.51-999 ?-999 ?-999 ? N6 AMP B 902 mVAL^A 101 6.72 -28.69 -24.46 7.16 -27.84 -24.75 8.47 -30.00 -25.52 8.96 -29.01 -26.05 7.04 -29.99 -24.99 6.08 -30.39 -26.14 3 0 12.57-999 ?-999 ?-999 ? N1 AMP A 901 mGLU^A 102 9.16 -31.12 -25.33 8.68 -31.82 -24.81 10.83 -32.75 -25.88 10.24 -33.56 -25.15 10.50 -31.27 -25.84 11.54 -30.47 -25.01 2 0 13.25-999 ?-999 ?-999 ? N1 AMP A 901 mPRO^A 103 11.76 -33.14 -26.76 12.15 -32.40 -27.30 12.77 -35.17 -25.66 13.32 -34.48 -24.80 12.16 -34.54 -26.90 13.19 -34.50 -28.04 3 0 12.94-999 ?-999 ?-999 ? N1 AMP A 901 mTHR.A 104 12.66 -36.48 -25.58 12.14 -36.88 -26.34 13.25 -38.71 -24.98 12.43 -39.12 -25.82 13.23 -37.26 -24.51 12.43 -37.17 -23.19 2 0 11.21-999 ?-999 ?-999 ? N1 AMP A 901 mILE^A 105 14.19 -39.48 -24.46 14.78 -39.01 -23.81 13.86 -41.73 -23.64 14.31 -41.53 -22.51 14.33 -40.88 -24.81 15.80 -41.22 -25.10 3 0 11.35-999 ?-999 ?-999 ? N6 AMP A 901 mVAL^A 106 12.95 -42.67 -23.89 12.64 -42.70 -24.84 13.40 -44.77 -22.92 13.40 -45.51 -23.90 12.47 -43.56 -22.85 11.03 -44.00 -23.10 3 0 8.88-999 ?-999 ?-999 ? N6 AMP A 901 mLEU^A 107 14.23 -44.95 -21.90 14.13 -44.29 -21.15 14.66 -47.35 -21.36 15.17 -48.41 -21.71 15.19 -46.04 -21.89 16.42 -45.66 -21.07 3 0 11.63-999 ?-999 ?-999 ? N7 AMP A 901 mTRP^A 108 13.63 -47.30 -20.53 13.25 -46.39 -20.35 11.76 -48.37 -19.29 11.29 -47.26 -19.05 13.12 -48.53 -19.95 14.13 -49.03 -18.91 3 0 9.96-999 ?-999 ?-999 ? N7 AMP A 901 mVAL.A 109 11.15 -49.51 -18.98 11.65 -50.33 -19.25 9.88 -50.65 -17.25 9.27 -50.52 -16.18 9.85 -49.56 -18.32 8.70 -49.80 -19.33 3 0 7.65-999 ?-999 ?-999 ? C8 AMP A 901 mGLY.A 110 10.61 -51.73 -17.53 11.05 -51.73 -18.42 9.50 -53.71 -16.48 8.71 -53.65 -15.54 10.72 -52.80 -16.55-999.99-999.99-999.99 1 0 9.55-999 ?-999 ?-999 ? O1P AMP A 901 mTHR.A 111 9.39 -54.56 -17.49 10.12 -54.49 -18.16 8.95 -56.88 -17.53 8.40 -57.80 -16.91 8.30 -55.49 -17.62 7.57 -55.20 -18.98 2 0 9.61-999 ?-999 ?-999 ? O1P AMP A 901 mGLN.A 112 10.12 -57.00 -18.14 10.43 -56.16 -18.59 12.36 -58.06 -17.83 13.09 -57.35 -18.53 10.89 -58.25 -18.16 10.80 -58.93 -19.52 2 0 13.34-999 ?-999 ?-999 ? O1P AMP A 901 mGLU.A 113 12.81 -58.76 -16.79 12.11 -59.32 -16.35 15.08 -59.78 -16.94 14.70 -60.95 -16.96 14.19 -58.70 -16.34 14.27 -58.89 -14.83 2 0 15.54-999 ?-999 ?-999 ? O1P AMP A 901 mGLU.A 114 16.26 -59.39 -17.43 16.41 -58.41 -17.38 18.58 -59.67 -18.18 18.67 -58.44 -17.97 17.23 -60.34 -17.98 16.79 -60.92 -19.33 2 0 19.18-999 ?-999 ?-999 ? O1P AMP A 901 mVAL.B 2 0.93 -26.89 -34.59 0.52 -27.52 -33.94 1.77 -24.60 -34.88 2.86 -24.03 -34.97 1.54 -25.95 -35.57 0.69 -25.91 -36.87 3 0 19.84-999 ?-999 ?-999 ? N6 AMP B 902 mGLU.B 3 0.77 -24.12 -34.14 -0.04 -24.71 -34.14 1.79 -22.96 -32.19 1.57 -23.78 -31.31 0.87 -22.86 -33.42 -0.52 -22.42 -32.97 2 0 17.35-999 ?-999 ?-999 ? N6 AMP B 902 mVAL.B 4 2.81 -22.10 -32.13 2.87 -21.48 -32.91 4.17 -20.68 -30.63 4.44 -19.86 -31.51 3.75 -22.10 -31.00 5.03 -22.92 -31.32 3 0 13.98-999 ?-999 ?-999 ? N6 AMP B 902 mGLU.B 5 4.23 -20.40 -29.33 3.99 -21.15 -28.72 6.04 -18.75 -29.37 6.27 -17.70 -29.96 4.63 -19.07 -28.87 4.59 -18.99 -27.35 2 0 11.44-999 ?-999 ?-999 ? N6 AMP B 902 mHIS^B 6 6.97 -19.67 -29.13 6.65 -20.47 -28.63 9.08 -20.81 -29.76 8.73 -21.83 -29.16 8.35 -19.49 -29.57 9.15 -18.65 -28.57 3 0 11.67-999 ?-999 ?-999 ? N6 AMP B 902 mTRP^B 7 10.11 -20.78 -30.61 10.28 -19.89 -31.03 12.32 -21.83 -30.33 13.14 -22.73 -30.50 10.90 -21.97 -30.87 10.93 -22.29 -32.37 3 0 13.54-999 ?-999 ?-999 ? N6 AMP B 902 mASN^B 8 12.62 -20.70 -29.69 11.89 -20.02 -29.67 13.77 -20.27 -27.61 14.44 -19.43 -27.01 13.94 -20.51 -29.10 14.70 -19.35 -29.72 2 0 12.77-999 ?-999 ?-999 ? N6 AMP B 902 mTHR^B 9 12.83 -21.00 -27.03 12.33 -21.61 -27.65 13.56 -21.83 -24.91 13.98 -22.84 -25.48 12.57 -20.91 -25.61 11.14 -21.36 -25.30 2 0 9.14-999 ?-999 ?-999 ? N6 AMP B 902 mLEU^B 10 13.94 -21.48 -23.69 13.54 -20.63 -23.36 14.30 -22.58 -21.54 13.60 -21.75 -20.97 14.87 -22.30 -22.92 16.21 -21.59 -22.76 3 0 9.06-999 ?-999 ?-999 ? N6 AMP B 902 mARG^B 11 14.59 -23.77 -21.02 15.13 -24.36 -21.62 15.38 -24.03 -18.77 16.37 -24.76 -18.92 14.15 -24.14 -19.68 13.60 -25.57 -19.66 2 0 7.24-999 ?-999 ?-999 ? N1 AMP B 902 mLEU^B 12 15.34 -23.07 -17.84 14.50 -22.53 -17.85 16.07 -23.49 -15.57 14.97 -23.29 -15.07 16.44 -22.87 -16.91 16.72 -21.38 -16.72 3 0 8.06-999 ?-999 ?-999 ? N1 AMP B 902 mARG^B 13 16.99 -24.26 -15.00 17.83 -24.37 -15.53 17.88 -24.55 -12.73 19.06 -24.76 -13.03 16.74 -24.88 -13.70 16.56 -26.39 -13.85 2 0 9.03-999 ?-999 ?-999 ? C2 AMP B 902 mILE^B 14 17.50 -24.00 -11.59 16.50 -23.90 -11.51 18.24 -24.47 -9.32 17.19 -24.45 -8.69 18.42 -23.57 -10.54 18.12 -22.11 -10.13 3 0 8.00-999 ?-999 ?-999 ? O4' AMP B 903 mTYR^B 15 19.27 -25.24 -9.01 20.06 -25.15 -9.61 20.01 -25.62 -6.66 21.23 -25.45 -6.74 19.21 -26.14 -7.86 19.76 -27.51 -8.25 3 0 -4.34-999 ?-999 ?-999 ? O4' AMP B 903s mILE^B 16 19.33 -25.37 -5.55 18.34 -25.53 -5.63 19.36 -25.59 -3.12 18.34 -26.28 -3.24 19.98 -24.91 -4.33 19.83 -23.39 -4.14 3 0 4.80-999 ?-999 ?-999 ? O5' AMP B 903 mGLY^B 17 19.97 -25.39 -1.95 20.79 -24.83 -1.99 18.45 -25.02 -0.14 18.52 -23.81 -0.34 19.45 -25.97 -0.73-999.99-999.99-999.99 1 0 5.09-999 ?-999 ?-999 ? O5' AMP B 903 mGLU.B 18 17.51 -25.57 0.60 17.57 -26.56 0.71 17.03 -23.79 2.28 16.46 -22.75 2.55 16.49 -24.73 1.20 15.40 -25.60 1.80 2 0 8.34-999 ?-999 ?-999 ? O3' AMP B 903 mASN.B 19 18.15 -24.16 2.89 18.54 -25.03 2.58 19.76 -22.37 3.44 20.26 -21.52 4.18 18.71 -23.32 3.94 19.24 -24.20 5.03 2 0 9.00-999 ?-999 ?-999 ? O2P AMP B 903 mASP.B 20 20.12 -22.51 2.16 19.67 -23.25 1.66 20.61 -20.22 1.86 19.40 -19.97 1.83 21.12 -21.62 1.59 21.25 -21.87 0.09 2 0 7.35-999 ?-999 ?-999 ? O2P AMP B 903 mLYS^B 21 21.52 -19.30 2.16 22.47 -19.61 2.16 21.89 -16.86 1.72 22.99 -17.09 1.23 21.11 -17.93 2.45 21.15 -17.71 3.98 2 0 10.74-999 ?-999 ?-999 ? O2P AMP B 903 mTRP^B 22 21.28 -15.69 1.62 20.36 -15.67 2.02 21.55 -13.34 1.84 20.38 -12.99 1.99 21.89 -14.53 0.97 21.34 -14.33 -0.44 3 0 13.25-999 ?-999 ?-999 ? O2P AMP B 903 mGLU.B 23 22.57 -12.74 2.45 23.46 -13.14 2.24 21.31 -11.94 4.40 20.47 -11.11 4.74 22.36 -11.60 3.34 21.97 -10.35 2.52 2 0 16.55-999 ?-999 ?-999 ? O2P AMP B 903 mGLY.B 24 21.34 -13.16 4.92 22.05 -13.77 4.55 19.01 -14.05 5.53 18.29 -14.62 6.35 20.39 -13.54 5.95-999.99-999.99-999.99 1 0 16.19-999 ?-999 ?-999 ? O2P AMP B 903 mARG^B 25 18.64 -13.83 4.27 19.31 -13.34 3.72 17.51 -15.60 2.97 18.61 -15.90 2.48 17.33 -14.29 3.76 16.70 -13.27 2.79 2 0 15.80-999 ?-999 ?-999 ? O2P AMP B 903 mPRO^B 26 16.45 -16.42 2.85 15.62 -16.08 3.30 16.89 -17.37 0.65 16.22 -16.59 -0.01 16.51 -17.69 2.10 15.09 -18.23 2.22 3 0 13.08-999 ?-999 ?-999 ? O2P AMP B 903 mLEU~B 27 17.98 -17.95 0.16 18.43 -18.58 0.80 17.42 -17.84 -2.30 17.42 -17.06 -3.25 18.46 -17.69 -1.18 19.64 -18.61 -1.49 3 0 11.40-999 ?-999 ?-999 ? O2P AMP B 903 mTYR~B 28 16.55 -18.83 -2.19 16.62 -19.39 -1.36 14.56 -17.95 -3.29 14.11 -17.57 -4.36 15.59 -19.05 -3.24 14.92 -20.43 -3.13 3 0 12.00-999 ?-999 ?-999 ? O5' AMP B 903 mLYS~B 29 14.19 -17.42 -2.13 14.62 -17.81 -1.31 13.83 -15.10 -2.76 13.17 -14.44 -3.56 13.21 -16.35 -2.11 12.76 -16.06 -0.69 2 0 13.68-999 ?-999 ?-999 ? O2' AMP B 902 mVAL~B 30 15.10 -14.79 -2.44 15.53 -15.40 -1.78 15.79 -13.82 -4.56 15.56 -12.89 -5.33 15.74 -13.64 -3.06 17.22 -13.40 -2.65 3 0 15.95-999 ?-999 ?-999 ? O2' AMP B 902 mILE~B 31 16.14 -15.03 -4.98 16.33 -15.69 -4.26 14.89 -15.08 -7.09 14.82 -14.40 -8.12 16.23 -15.32 -6.40 16.68 -16.77 -6.66 3 0 13.37-999 ?-999 ?-999 ? C2 AMP B 902 mVAL~B 32 13.82 -15.63 -6.51 14.03 -16.14 -5.68 12.05 -14.03 -7.04 11.28 -13.58 -7.89 12.48 -15.49 -7.06 11.47 -16.33 -6.27 3 0 10.76-999 ?-999 ?-999 ? O2' AMP B 902 mGLU~B 33 12.56 -13.31 -6.05 13.18 -13.82 -5.45 12.84 -11.07 -7.02 12.17 -10.20 -7.57 12.26 -11.89 -5.87 12.85 -11.40 -4.55 2 0 13.31-999 ?-999 ?-999 ? O2' AMP B 902 mLYS~B 34 14.09 -11.38 -7.37 14.49 -12.12 -6.83 14.10 -10.95 -9.79 13.88 -10.03 -10.58 14.79 -10.69 -8.44 16.25 -11.15 -8.50 2 0 14.29-999 ?-999 ?-999 ? N1 AMP B 902 mLEU~B 35 13.76 -12.21 -10.05 13.99 -12.85 -9.32 11.82 -11.78 -11.49 11.48 -11.40 -12.60 13.09 -12.60 -11.29 12.72 -14.09 -11.26 3 0 10.69-999 ?-999 ?-999 ? N1 AMP B 902 mARG~B 36 11.13 -11.52 -10.39 11.54 -11.90 -9.55 10.13 -9.31 -10.83 9.43 -8.79 -11.71 9.90 -10.76 -10.40 9.27 -10.79 -9.01 2 0 11.67-999 ?-999 ?-999 ? C6 AMP B 902 mGLU~B 37 11.11 -8.65 -10.23 11.62 -9.19 -9.55 12.24 -7.14 -11.82 12.65 -6.05 -12.20 11.40 -7.26 -10.55 12.13 -6.58 -9.39 2 0 14.69-999 ?-999 ?-999 ? N6 AMP B 902 mMET~B 38 12.51 -8.27 -12.46 12.13 -9.10 -12.03 12.36 -8.38 -14.90 12.80 -8.20 -16.04 13.28 -8.28 -13.69 14.27 -9.44 -13.71 2 0 13.13-999 ?-999 ?-999 ? N6 AMP B 902 mGLY.B 39 11.09 -8.68 -14.65 10.87 -8.81 -13.69 10.24 -10.09 -16.52 9.99 -10.11 -17.73 10.13 -8.80 -15.73-999.99-999.99-999.99 1 0 11.12-999 ?-999 ?-999 ? N6 AMP B 902 mILE.B 40 10.63 -11.17 -15.84 10.81 -11.00 -14.87 9.38 -13.11 -16.65 8.48 -12.90 -15.84 10.76 -12.47 -16.47 11.68 -13.41 -15.64 3 0 7.70-999 ?-999 ?-999 ? N6 AMP B 902 mALA.B 41 9.22 -13.89 -17.71 10.05 -13.97 -18.27 7.26 -15.14 -16.82 6.09 -14.86 -16.57 7.96 -14.54 -18.03 8.19 -15.62 -19.09 2 0 4.93-999 ?-999 ?-999 ? N6 AMP B 902 mGLY.B 42 7.97 -15.98 -16.07 8.91 -16.14 -16.38 8.34 -17.59 -14.27 9.49 -17.68 -14.70 7.37 -16.61 -14.90-999.99-999.99-999.99 1 0 4.07-999 ?-999 ?-999 ? C5 AMP B 902 mALA^B 43 7.89 -18.32 -13.27 6.93 -18.16 -13.01 7.99 -20.25 -11.73 6.92 -19.93 -11.21 8.76 -19.29 -12.60 9.80 -18.56 -11.76 2 0 -3.54-999 ?-999 ?-999 ? C2 AMP B 902s mTHR^B 44 8.54 -21.45 -11.57 9.39 -21.60 -12.08 8.99 -22.97 -9.77 10.10 -23.30 -10.19 7.91 -22.45 -10.71 7.31 -23.61 -11.53 2 0 -3.85-999 ?-999 ?-999 ? O2' AMP B 902s mVAL^B 45 8.67 -23.02 -8.48 7.74 -22.71 -8.27 9.17 -24.82 -6.91 8.03 -24.96 -6.47 9.61 -23.48 -7.47 9.73 -22.50 -6.28 3 0 6.99-999 ?-999 ?-999 ? O2' AMP B 902 mTYR^B 46 10.07 -25.78 -6.92 10.96 -25.54 -7.31 10.68 -27.39 -5.23 11.81 -26.90 -5.19 9.75 -27.09 -6.39 9.98 -28.20 -7.42 3 0 9.52-999 ?-999 ?-999 ? O2' AMP B 902 mARG^B 47 10.19 -28.20 -4.30 9.25 -28.49 -4.43 11.15 -30.13 -3.20 10.15 -30.84 -3.10 11.01 -28.61 -3.17 10.38 -28.21 -1.84 2 0 9.03-999 ?-999 ?-999 ? O2' AMP B 903 mGLY.B 48 12.37 -30.63 -3.34 13.10 -29.95 -3.43 12.39 -32.67 -1.95 12.15 -31.94 -0.99 12.57 -32.06 -3.34-999.99-999.99-999.99 1 0 6.82-999 ?-999 ?-999 ? O2' AMP B 903 mILE.B 49 12.48 -33.99 -1.83 12.65 -34.49 -2.68 13.71 -35.08 -0.10 13.92 -35.45 1.04 12.34 -34.61 -0.53 11.36 -35.82 -0.53 3 0 8.59-999 ?-999 ?-999 ? O2' AMP B 903 mTYR^B 50 14.64 -35.04 -1.04 14.31 -34.73 -1.93 16.86 -35.03 -1.98 16.37 -34.95 -3.10 16.01 -35.41 -0.79 16.16 -36.91 -0.55 3 0 6.28-999 ?-999 ?-999 ? O2' AMP B 903 mGLY^B 51 18.15 -34.79 -1.73 18.41 -34.86 -0.77 20.50 -34.47 -2.29 20.75 -34.52 -1.09 19.07 -34.44 -2.79-999.99-999.99-999.99 1 0 -3.29-999 ?-999 ?-999 ? O2' AMP B 903s mPHE^B 52 21.46 -34.47 -3.22 21.12 -34.47 -4.16 23.63 -34.04 -4.10 23.23 -34.37 -5.22 22.87 -34.47 -2.86 23.33 -35.86 -2.38 3 0 -4.09-999 ?-999 ?-999 ? C3' AMP B 903s mGLY^B 53 24.72 -33.31 -3.89 24.91 -33.09 -2.94 26.98 -33.08 -4.60 27.42 -32.53 -3.58 25.54 -32.88 -5.01-999.99-999.99-999.99 1 0 3.90-999 ?-999 ?-999 ? C8 AMP B 903 mLYS.B 54 27.72 -33.88 -5.37 27.24 -34.28 -6.14 29.76 -32.74 -4.89 30.65 -32.54 -4.07 29.14 -34.12 -5.07 29.84 -34.83 -6.25 2 0 6.62-999 ?-999 ?-999 ? O3P AMP B 903 mLYS.B 55 29.26 -31.79 -5.69 28.56 -32.12 -6.31 28.58 -29.50 -6.14 28.68 -28.27 -6.09 29.71 -30.40 -5.65 30.95 -30.20 -6.52 2 0 5.33-999 ?-999 ?-999 ? O1P AMP B 903 mSER.B 67 20.43 -35.38 5.36 20.63 -36.21 5.89 19.06 -33.32 5.26 17.86 -33.53 5.03 20.15 -34.17 4.60 19.72 -34.53 3.18 2 0 8.14-999 ?-999 ?-999 ? O3' AMP B 903 mTHR.B 68 19.50 -32.36 6.07 20.49 -32.32 6.17 18.28 -30.27 5.83 17.52 -29.37 6.18 18.59 -31.45 6.76 19.24 -30.89 8.04 2 0 9.80-999 ?-999 ?-999 ? O3' AMP B 903 mASP.B 69 18.87 -30.30 4.64 19.44 -31.11 4.48 18.03 -29.74 2.39 18.71 -30.13 1.43 18.70 -29.23 3.67 20.07 -28.61 3.38 2 0 6.94-999 ?-999 ?-999 ? O3' AMP B 903 mLEU.B 70 16.70 -29.75 2.38 16.29 -29.43 3.23 16.29 -29.39 -0.02 16.59 -28.20 0.07 15.94 -30.20 1.22 14.43 -30.09 1.51 3 0 6.05-999 ?-999 ?-999 ? O3' AMP B 903 mPRO^B 71 16.24 -30.02 -1.20 15.97 -30.99 -1.15 15.40 -28.41 -2.88 14.25 -28.76 -2.71 16.55 -29.33 -2.45 16.72 -30.47 -3.46 3 0 -4.14-999 ?-999 ?-999 ? O3' AMP B 903s mILE^B 72 15.72 -27.23 -3.40 16.70 -27.01 -3.39 15.12 -26.12 -5.36 16.29 -25.90 -5.63 14.68 -26.33 -3.93 14.51 -24.92 -3.28 3 0 7.31-999 ?-999 ?-999 ? O2' AMP B 903 mILE^B 73 14.17 -26.21 -6.28 13.25 -26.42 -5.94 13.65 -24.88 -8.22 12.42 -24.89 -8.11 14.50 -26.02 -7.67 14.27 -27.32 -8.49 3 0 7.71-999 ?-999 ?-999 ? O4' AMP B 903 mVAL^B 74 14.33 -23.87 -8.75 15.33 -23.97 -8.71 13.75 -22.95 -10.83 14.85 -23.08 -11.38 13.65 -22.73 -9.33 14.32 -21.38 -8.95 3 0 7.87-999 ?-999 ?-999 ? C2 AMP B 902 mGLU^B 75 12.59 -23.03 -11.48 11.79 -22.90 -10.90 11.95 -22.08 -13.66 10.93 -21.52 -13.26 12.53 -23.27 -12.92 11.67 -24.52 -13.19 2 0 -4.93-999 ?-999 ?-999 ? C2 AMP B 902s mVAL^B 76 12.60 -21.68 -14.74 13.43 -22.20 -14.95 12.14 -20.86 -17.01 13.18 -21.22 -17.57 12.10 -20.57 -15.52 12.92 -19.30 -15.25 3 0 -3.56-999 ?-999 ?-999 ? N1 AMP B 902s mVAL^B 77 10.99 -20.71 -17.67 10.21 -20.44 -17.10 10.78 -19.56 -19.78 9.84 -18.83 -19.50 10.92 -20.93 -19.11 9.70 -21.82 -19.47 3 0 -3.59-999 ?-999 ?-999 ? N6 AMP B 902s mASP^B 78 11.73 -19.22 -20.65 12.44 -19.91 -20.79 12.54 -17.90 -22.56 13.17 -18.90 -22.93 11.68 -17.93 -21.31 12.15 -16.83 -20.34 2 0 5.33-999 ?-999 ?-999 ? N6 AMP B 902 mARG^B 79 12.57 -16.74 -23.22 12.00 -16.03 -22.81 14.83 -16.66 -24.00 15.18 -16.41 -22.85 13.37 -16.55 -24.42 13.10 -15.16 -25.00 2 0 9.01-999 ?-999 ?-999 ? N6 AMP B 902 mGLY~B 80 15.69 -17.01 -24.95 15.29 -17.16 -25.85 17.78 -15.97 -24.00 18.45 -16.14 -22.98 17.10 -17.15 -24.66-999.99-999.99-999.99 1 0 11.67-999 ?-999 ?-999 ? N6 AMP B 902 mHIS~B 81 17.62 -14.78 -24.57 17.04 -14.78 -25.38 17.85 -13.33 -22.57 18.71 -13.05 -21.72 18.26 -13.59 -24.02 17.94 -12.36 -24.87 3 0 13.41-999 ?-999 ?-999 ? N6 AMP B 902 mASN~B 82 16.56 -13.41 -22.28 15.97 -13.63 -23.07 16.76 -14.15 -19.95 17.23 -13.73 -18.88 16.06 -13.20 -20.93 14.55 -13.43 -20.87 2 0 10.75-999 ?-999 ?-999 ? N6 AMP B 902 mILE~B 83 16.83 -15.42 -20.32 16.42 -15.62 -21.20 18.98 -16.15 -19.30 19.55 -16.46 -18.26 17.48 -16.43 -19.48 17.27 -17.85 -20.06 3 0 10.20-999 ?-999 ?-999 ? N6 AMP B 902 mGLU~B 84 19.61 -15.54 -20.31 19.04 -15.34 -21.11 21.20 -14.13 -19.14 22.15 -14.16 -18.35 21.03 -15.22 -20.20 21.59 -14.71 -21.53 2 0 14.02-999 ?-999 ?-999 ? N6 AMP B 902 mLYS~B 85 20.28 -13.16 -19.13 19.58 -13.26 -19.84 20.29 -12.68 -16.76 21.17 -12.42 -15.94 20.32 -12.07 -18.16 19.10 -11.15 -18.33 2 0 14.48-999 ?-999 ?-999 ? N6 AMP B 902 mVAL~B 86 19.27 -13.49 -16.53 18.66 -13.60 -17.31 20.26 -14.90 -14.71 20.60 -14.77 -13.54 19.05 -14.16 -15.25 17.88 -15.15 -15.37 3 0 12.48-999 ?-999 ?-999 ? N1 AMP B 902 mVAL~B 87 20.91 -15.68 -15.56 20.51 -15.70 -16.48 23.17 -15.48 -14.69 23.81 -15.71 -13.67 22.08 -16.43 -15.16 22.65 -17.25 -16.33 3 0 14.24-999 ?-999 ?-999 ? N1 AMP B 902 mASN~B 88 23.36 -14.41 -15.46 22.76 -14.37 -16.26 24.11 -12.70 -13.82 25.05 -12.28 -13.15 24.37 -13.39 -15.15 24.42 -12.36 -16.29 2 0 17.50-999 ?-999 ?-999 ? N1 AMP B 902 mVAL~B 89 22.84 -12.59 -13.42 22.18 -12.98 -14.06 22.63 -12.91 -10.98 23.11 -12.54 -9.92 22.48 -11.96 -12.15 20.99 -11.58 -12.04 3 0 17.02-999 ?-999 ?-999 ? N1 AMP B 902 mILE~B 90 22.18 -14.14 -11.20 21.86 -14.30 -12.14 23.43 -15.95 -9.92 23.61 -16.51 -8.84 22.16 -15.15 -10.16 20.97 -16.10 -10.42 3 0 14.35-999 ?-999 ?-999 ? O1P AMP B 903 mLYS~B 91 24.33 -16.01 -10.91 24.08 -15.50 -11.73 26.34 -16.40 -9.48 26.81 -17.28 -8.76 25.56 -16.77 -10.74 26.45 -16.60 -11.98 2 0 12.83-999 ?-999 ?-999 ? O1P AMP B 903 mPRO.B 92 26.48 -15.10 -9.18 26.04 -14.47 -9.83 26.60 -15.14 -6.68 27.32 -15.51 -5.74 27.21 -14.66 -7.99 27.18 -13.14 -8.10 3 0 13.65-999 ?-999 ?-999 ? O1P AMP B 903 mMET.B 93 25.27 -15.14 -6.61 24.83 -14.83 -7.45 24.59 -17.03 -5.10 24.24 -17.44 -3.99 24.54 -15.54 -5.41 23.07 -15.14 -5.53 2 0 12.17-999 ?-999 ?-999 ? O1P AMP B 903 mILE.B 94 25.02 -17.84 -6.05 25.32 -17.40 -6.89 26.44 -19.90 -5.75 27.12 -20.03 -6.76 25.05 -19.28 -5.83 24.21 -19.99 -6.93 3 0 8.54-999 ?-999 ?-999 ? O1P AMP B 903 mLYS.B 95 26.85 -20.27 -4.54 26.20 -20.10 -3.80 28.03 -22.41 -4.21 29.01 -23.13 -4.33 28.16 -20.89 -4.35 28.88 -20.33 -3.11 2 0 7.16-999 ?-999 ?-999 ? O1P AMP B 903 mASP.B 96 26.81 -22.89 -3.97 26.09 -22.20 -3.87 25.23 -24.73 -4.40 24.19 -24.44 -3.80 26.60 -24.32 -3.85 26.76 -24.76 -2.38 2 0 -3.39-999 ?-999 ?-999 ? O1P AMP B 903s mGLY.B 97 25.27 -25.40 -5.55 26.20 -25.56 -5.90 24.41 -26.05 -7.69 25.57 -26.27 -8.03 24.07 -25.86 -6.22-999.99-999.99-999.99 1 0 -3.32-999 ?-999 ?-999 ? O1P AMP B 903s mMET^B 98 23.42 -25.98 -8.57 22.51 -25.82 -8.18 22.70 -25.44 -10.90 21.55 -25.22 -10.52 23.71 -26.14 -9.99 23.86 -27.63 -10.36 2 0 -5.52-999 ?-999 ?-999 ? C8 AMP B 903s mILE^B 99 23.17 -25.08 -12.08 24.13 -25.32 -12.23 22.38 -25.13 -14.38 23.43 -25.27 -15.01 22.35 -24.38 -13.06 22.85 -22.92 -13.27 3 0 8.72-999 ?-999 ?-999 ? C8 AMP B 903 mTHR^B 100 21.22 -25.62 -14.80 20.44 -25.46 -14.19 20.20 -25.59 -17.01 19.36 -24.80 -16.58 21.14 -26.34 -16.07 20.64 -27.80 -15.90 2 0 9.42-999 ?-999 ?-999 ? C6 AMP B 903 mVAL^B 101 20.37 -25.85 -18.30 21.10 -26.51 -18.50 19.53 -26.08 -20.55 20.55 -26.65 -20.95 19.55 -25.22 -19.30 20.11 -23.79 -19.64 3 0 12.11-999 ?-999 ?-999 ? N1 AMP B 902 mGLU^B 102 18.34 -26.21 -21.14 17.59 -25.76 -20.64 16.92 -26.36 -23.09 16.07 -25.75 -22.45 18.15 -26.95 -22.39 17.99 -28.47 -22.16 2 0 12.82-999 ?-999 ?-999 ? N1 AMP B 902 mPRO^B 103 16.84 -26.51 -24.42 17.60 -27.00 -24.84 14.37 -26.63 -24.87 14.30 -27.76 -24.39 15.70 -25.96 -25.17 16.11 -26.17 -26.63 3 0 12.44-999 ?-999 ?-999 ? N1 AMP B 902 mTHR^B 104 13.31 -25.90 -25.15 13.50 -24.98 -25.48 11.03 -25.65 -25.85 11.34 -24.53 -26.26 11.98 -26.45 -24.97 11.52 -26.39 -23.50 2 0 10.74-999 ?-999 ?-999 ? N6 AMP B 902 mILE^B 105 9.88 -26.23 -26.17 9.75 -27.15 -25.79 7.67 -25.17 -26.20 7.05 -26.03 -25.57 8.90 -25.55 -27.00 8.51 -26.41 -28.22 3 0 10.99-999 ?-999 ?-999 ? N6 AMP B 902 mVAL^B 106 7.35 -23.89 -26.20 7.97 -23.31 -26.73 5.01 -23.37 -26.48 5.09 -22.76 -27.54 6.18 -23.37 -25.50 6.43 -21.93 -25.01 3 0 8.70-999 ?-999 ?-999 ? N6 AMP B 902 mLEU.B 107 3.93 -24.05 -26.14 3.98 -24.50 -25.24 1.70 -23.08 -26.75 1.19 -22.46 -27.68 2.79 -24.12 -27.03 2.18 -25.53 -27.01 3 0 11.43-999 ?-999 ?-999 ? N6 AMP B 902 mTRP.B 108 1.38 -22.87 -25.47 1.90 -23.42 -24.82 0.72 -20.92 -23.99 1.84 -20.93 -23.48 0.33 -21.92 -25.08 -0.92 -22.69 -24.62 3 0 9.95-999 ?-999 ?-999 ? N7 AMP B 902 mVAL.B 109 -0.25 -20.07 -23.64 -1.09 -20.21 -24.15 -1.50 -18.62 -22.16 -2.39 -19.46 -22.03 -0.10 -19.04 -22.61 0.64 -17.80 -23.16 3 0 7.97-999 ?-999 ?-999 ? N7 AMP B 902 mGLY.B 110 -1.70 -17.33 -21.92 -0.91 -16.72 -22.05 -3.57 -15.67 -22.21 -2.78 -14.94 -22.84 -3.02 -16.90 -21.50-999.99-999.99-999.99 1 0 7.19-999 ?-999 ?-999 ? O3P AMP B 902 mVAL.C 2 29.43 -18.08 -21.15 28.75 -17.79 -20.47 31.26 -19.63 -21.53 32.19 -20.17 -22.13 30.43 -18.51 -22.16 31.34 -17.30 -22.55 3 0 19.97-999 ?-999 ?-999 ? N6 AMP B 903 mGLU.C 3 30.91 -19.97 -20.29 30.16 -19.44 -19.91 30.62 -22.01 -18.96 29.86 -21.68 -18.05 31.59 -21.04 -19.58 32.52 -20.45 -18.52 2 0 17.11-999 ?-999 ?-999 ? N6 AMP B 903 mVAL.C 4 30.66 -23.23 -19.47 31.35 -23.34 -20.18 30.65 -25.27 -18.21 31.82 -25.47 -18.52 29.79 -24.30 -19.02 29.17 -24.93 -20.27 3 0 13.72-999 ?-999 ?-999 ? N6 AMP B 903 mGLU.C 5 30.07 -25.83 -17.16 29.11 -25.58 -17.04 31.30 -28.00 -16.95 32.51 -28.25 -16.97 30.80 -26.74 -16.27 29.94 -27.14 -15.04 2 0 11.09-999 ?-999 ?-999 ? N6 AMP B 903 mHIS.C 6 30.40 -28.79 -17.52 29.45 -28.46 -17.47 30.44 -30.32 -19.61 29.61 -29.63 -20.21 30.79 -30.05 -18.14 30.26 -31.20 -17.29 3 0 10.65-999 ?-999 ?-999 ? N6 AMP B 903 mTRP.C 7 31.12 -31.33 -20.14 31.76 -31.76 -19.50 29.96 -32.95 -21.54 30.00 -33.85 -20.68 30.98 -31.80 -21.51 32.33 -32.28 -22.05 3 0 12.99-999 ?-999 ?-999 ? N6 AMP B 903 mASN.C 8 29.07 -32.90 -22.54 29.20 -32.11 -23.13 27.26 -34.34 -21.45 27.41 -35.45 -20.96 28.00 -33.90 -22.74 28.61 -35.12 -23.42 2 0 12.72-999 ?-999 ?-999 ? N6 AMP B 903 mTHR^C 9 26.48 -33.46 -20.85 26.44 -32.55 -21.25 24.35 -34.29 -20.10 23.84 -33.83 -21.12 25.76 -33.90 -19.68 25.74 -32.86 -18.56 2 0 9.20-999 ?-999 ?-999 ? N6 AMP B 903 mLEU^C 10 23.74 -35.16 -19.31 24.29 -35.44 -18.52 21.62 -35.69 -18.29 22.18 -35.81 -17.22 22.41 -35.65 -19.57 22.50 -37.08 -20.13 3 0 9.30-999 ?-999 ?-999 ? N1 AMP B 903 mARG^C 11 20.31 -35.58 -18.43 19.99 -35.48 -19.37 18.66 -36.94 -17.29 17.85 -37.18 -18.18 19.43 -35.62 -17.28 18.47 -34.44 -17.35 2 0 7.39-999 ?-999 ?-999 ? N1 AMP B 903 mLEU^C 12 18.92 -37.81 -16.30 19.63 -37.49 -15.67 17.09 -38.89 -15.22 17.20 -38.29 -14.16 18.27 -39.07 -16.15 19.27 -40.06 -15.55 3 0 8.37-999 ?-999 ?-999 ? N1 AMP B 903 mARG^C 13 15.92 -39.42 -15.55 15.90 -39.88 -16.45 14.23 -40.74 -14.53 13.95 -41.41 -15.52 14.78 -39.34 -14.67 13.74 -38.37 -15.22 2 0 9.31-999 ?-999 ?-999 ? C2 AMP B 903 mILE^C 14 14.13 -41.16 -13.28 14.41 -40.48 -12.60 12.36 -42.30 -12.21 12.26 -41.54 -11.25 13.67 -42.47 -12.91 14.68 -43.12 -11.94 3 0 8.27-999 ?-999 ?-999 ? O4' AMP A 901 mTYR^C 15 11.34 -43.01 -12.68 11.57 -43.59 -13.46 9.68 -44.24 -11.45 9.79 -45.28 -12.07 10.02 -42.92 -12.09 8.97 -42.62 -13.16 3 0 4.77-999 ?-999 ?-999 ? O4' AMP A 901 mILE^C 16 9.24 -44.19 -10.20 9.18 -43.27 -9.81 7.83 -45.04 -8.49 7.42 -43.88 -8.38 8.89 -45.40 -9.49 10.11 -46.00 -8.75 3 0 5.14-999 ?-999 ?-999 ? O4' AMP A 901 mGLY^C 17 7.38 -46.05 -7.76 7.79 -46.94 -7.95 6.98 -45.63 -5.39 7.97 -46.27 -5.02 6.37 -45.83 -6.76-999.99-999.99-999.99 1 0 5.58-999 ?-999 ?-999 ? O3' AMP A 901 mGLU.C 18 6.38 -44.72 -4.64 5.60 -44.28 -5.08 6.85 -45.69 -2.45 7.69 -45.83 -1.58 6.82 -44.42 -3.30 5.86 -43.42 -2.68 2 0 8.41-999 ?-999 ?-999 ? O3' AMP A 901 mASN.C 19 5.92 -46.60 -2.72 5.30 -46.37 -3.47 6.68 -48.98 -2.50 6.64 -50.08 -1.96 5.84 -47.83 -1.95 4.38 -48.28 -1.80 2 0 10.17-999 ?-999 ?-999 ? O3' AMP A 901 mASP.C 20 7.43 -48.72 -3.56 7.36 -47.79 -3.90 9.40 -50.13 -3.22 9.91 -49.30 -2.47 8.27 -49.75 -4.16 8.87 -49.22 -5.46 2 0 9.46-999 ?-999 ?-999 ? O2P AMP A 901 mLYS^C 21 9.80 -51.40 -3.26 9.31 -51.98 -3.92 11.89 -52.74 -3.08 11.65 -53.26 -4.17 10.86 -51.86 -2.39 10.26 -52.57 -1.17 2 0 12.76-999 ?-999 ?-999 ? O2P AMP A 901 mTRP^C 22 13.05 -52.85 -2.45 13.11 -52.32 -1.60 14.84 -54.24 -1.76 15.58 -53.53 -1.07 14.13 -53.67 -2.97 15.08 -52.83 -3.82 3 0 15.21-999 ?-999 ?-999 ? O2P AMP A 901 mGLU.C 23 14.60 -55.52 -1.50 13.98 -55.96 -2.15 14.70 -55.59 0.94 15.48 -55.33 1.86 15.19 -56.20 -0.36 16.72 -56.13 -0.42 2 0 18.38-999 ?-999 ?-999 ? O2P AMP A 901 mGLY.C 24 13.39 -55.34 1.01 12.88 -55.57 0.19 13.00 -53.30 2.49 12.51 -52.80 3.50 12.79 -54.78 2.22-999.99-999.99-999.99 1 0 18.13-999 ?-999 ?-999 ? O2P AMP A 901 mARG^C 25 13.73 -52.61 1.61 14.07 -53.16 0.85 13.31 -50.33 0.69 13.06 -50.79 -0.42 13.99 -51.18 1.76 15.48 -50.87 1.67 2 0 17.77-999 ?-999 ?-999 ? O2P AMP A 901 mPRO^C 26 13.03 -49.05 1.02 13.28 -48.80 1.96 13.31 -47.99 -1.12 14.41 -47.43 -1.02 12.39 -48.11 0.09 12.32 -46.83 0.91 3 0 14.94-999 ?-999 ?-999 ? O3' AMP A 901 mLEU~C 27 12.86 -48.52 -2.24 11.94 -48.92 -2.17 14.37 -47.23 -3.83 15.53 -47.27 -4.24 13.64 -48.53 -3.48 12.76 -48.95 -4.65 3 0 13.23-999 ?-999 ?-999 ? C4' AMP A 901 mTYR~C 28 13.71 -46.09 -3.66 12.79 -46.17 -3.29 15.56 -44.51 -3.12 16.58 -44.03 -3.61 14.36 -44.83 -4.01 13.33 -43.69 -4.03 3 0 12.77-999 ?-999 ?-999 ? O4' AMP A 901 mLYS~C 29 15.45 -44.78 -1.83 14.57 -45.16 -1.55 17.70 -45.48 -1.34 18.87 -45.12 -1.33 16.56 -44.53 -0.92 16.15 -44.81 0.53 2 0 13.44-999 ?-999 ?-999 ? O2' AMP B 903 mVAL~C 30 17.35 -46.70 -1.74 16.37 -46.89 -1.71 19.07 -47.13 -3.41 20.30 -47.19 -3.51 18.37 -47.66 -2.17 17.76 -49.05 -2.52 3 0 15.94-999 ?-999 ?-999 ? O2' AMP B 903 mILE~C 31 18.29 -46.61 -4.36 17.31 -46.64 -4.16 19.78 -44.89 -5.27 20.91 -44.81 -5.76 18.85 -46.05 -5.59 17.74 -45.54 -6.55 3 0 13.03-999 ?-999 ?-999 ? C2 AMP B 903 mVAL~C 32 19.30 -43.98 -4.43 18.38 -44.15 -4.09 21.40 -43.24 -3.41 22.44 -42.64 -3.64 20.10 -42.83 -4.07 19.34 -41.88 -3.12 3 0 10.68-999 ?-999 ?-999 ? C2 AMP B 903 mGLU~C 33 21.33 -44.28 -2.58 20.41 -44.68 -2.50 23.55 -45.29 -2.85 24.73 -44.93 -2.76 22.50 -44.79 -1.88 22.08 -45.94 -0.95 2 0 13.58-999 ?-999 ?-999 ? O2' AMP B 903 mLYS~C 34 23.13 -46.11 -3.80 22.15 -46.32 -3.77 24.70 -45.54 -5.61 25.90 -45.58 -5.88 24.06 -46.65 -4.78 23.33 -47.63 -5.69 2 0 14.02-999 ?-999 ?-999 ? N1 AMP B 903 mLEU~C 35 23.89 -44.56 -6.02 22.93 -44.68 -5.75 25.52 -42.74 -6.06 26.55 -42.43 -6.63 24.38 -43.43 -6.81 23.26 -42.42 -7.05 3 0 10.42-999 ?-999 ?-999 ? N1 AMP B 903 mARG~C 36 25.30 -42.51 -4.77 24.40 -42.80 -4.45 27.57 -42.73 -3.89 28.67 -42.25 -4.16 26.30 -41.87 -3.92 25.72 -41.71 -2.50 2 0 10.93-999 ?-999 ?-999 ? N6 AMP B 903 mGLU~C 37 27.41 -44.02 -3.58 26.46 -44.28 -3.40 29.36 -44.93 -4.81 30.59 -44.92 -4.76 28.55 -44.94 -3.53 28.07 -46.38 -3.28 2 0 14.16-999 ?-999 ?-999 ? N6 AMP B 903 mMET~C 38 28.66 -44.94 -5.94 27.67 -44.95 -5.81 30.08 -43.65 -7.51 30.94 -43.62 -8.39 29.30 -44.94 -7.25 28.26 -45.10 -8.36 2 0 12.98-999 ?-999 ?-999 ? N6 AMP B 903 mGLY~C 39 29.76 -42.59 -6.78 29.03 -42.74 -6.11 29.76 -40.40 -7.98 30.41 -39.55 -8.59 30.44 -41.32 -6.97-999.99-999.99-999.99 1 0 10.70-999 ?-999 ?-999 ? N6 AMP B 903 mILE.C 40 28.45 -40.56 -8.14 28.05 -41.28 -7.56 27.65 -38.28 -8.74 27.57 -37.92 -7.58 27.67 -39.76 -9.09 26.22 -40.33 -9.22 3 0 7.35-999 ?-999 ?-999 ? N6 AMP B 903 mALA.C 41 27.70 -37.43 -9.77 27.73 -37.88 -10.66 26.66 -35.42 -8.64 26.92 -34.46 -7.93 27.72 -35.97 -9.59 27.60 -35.28 -10.95 2 0 4.50-999 ?-999 ?-999 ? N6 AMP B 903 mGLY^C 42 25.47 -36.01 -8.64 25.36 -36.78 -9.27 23.10 -36.17 -8.07 23.04 -37.03 -8.95 24.43 -35.52 -7.75-999.99-999.99-999.99 1 0 -3.50-999 ?-999 ?-999 ? C6 AMP B 903s mALA^C 43 22.05 -35.78 -7.36 22.26 -35.08 -6.67 19.69 -35.54 -6.76 20.00 -35.00 -5.70 20.72 -36.32 -7.58 20.68 -37.80 -7.20 2 0 -3.35-999 ?-999 ?-999 ? C2 AMP B 903s mTHR^C 44 18.47 -35.47 -7.28 18.37 -35.95 -8.15 16.17 -35.70 -6.66 15.90 -36.30 -7.70 17.37 -34.76 -6.61 16.99 -33.45 -7.36 2 0 -3.69-999 ?-999 ?-999 ? O2' AMP B 903s mVAL^C 45 15.45 -35.81 -5.56 15.76 -35.26 -4.78 13.00 -35.91 -5.32 12.89 -35.10 -4.39 14.29 -36.68 -5.52 14.41 -37.76 -4.40 3 0 6.81-999 ?-999 ?-999 ? O2' AMP B 903 mTYR^C 46 12.03 -36.17 -6.19 12.26 -36.84 -6.89 9.66 -36.49 -5.74 9.80 -37.68 -5.98 10.74 -35.50 -6.09 10.35 -34.86 -7.43 3 0 9.21-999 ?-999 ?-999 ? O2' AMP B 903 mARG^C 47 8.59 -35.99 -5.15 8.64 -35.01 -4.96 6.28 -36.12 -5.52 6.04 -34.94 -5.30 7.45 -36.81 -4.82 7.20 -36.86 -3.31 2 0 9.27-999 ?-999 ?-999 ? O2' AMP A 901 mGLY.C 48 5.57 -36.85 -6.38 5.86 -37.79 -6.50 3.22 -36.39 -6.21 3.28 -37.03 -5.17 4.45 -36.24 -7.07-999.99-999.99-999.99 1 0 7.32-999 ?-999 ?-999 ? O2' AMP A 901 mILE.C 49 2.11 -35.78 -6.61 2.19 -35.25 -7.45 -0.01 -36.97 -6.49 -1.00 -37.39 -5.92 0.89 -35.94 -5.83 0.14 -34.59 -5.67 3 0 9.03-999 ?-999 ?-999 ? O2' AMP A 901 mTYR^C 50 0.33 -37.38 -7.71 1.16 -36.95 -8.07 0.29 -38.87 -9.66 1.13 -38.17 -10.22 -0.45 -38.37 -8.43 -1.79 -37.79 -8.89 3 0 6.72-999 ?-999 ?-999 ? O2' AMP A 901 mGLY^C 51 -0.03 -40.09 -10.08 -0.72 -40.56 -9.53 0.02 -42.01 -11.64 -0.59 -42.69 -10.82 0.59 -40.66 -11.26-999.99-999.99-999.99 1 0 3.80-999 ?-999 ?-999 ? O2' AMP A 901 mPHE^C 52 0.19 -42.39 -12.91 0.67 -41.72 -13.48 0.56 -44.08 -14.61 1.10 -43.22 -15.31 -0.28 -43.68 -13.40 -1.79 -43.62 -13.76 3 0 3.98-999 ?-999 ?-999 ? C3' AMP A 901 mGLY.C 53 0.71 -45.38 -14.84 0.23 -45.98 -14.19 0.71 -46.71 -16.95 -0.40 -46.35 -17.34 1.50 -45.86 -15.96-999.99-999.99-999.99 1 0 -3.70-999 ?-999 ?-999 ? O1P AMP A 901s mLYS.C 54 1.28 -47.83 -17.36 2.18 -48.00 -16.96 -0.34 -49.68 -17.63 0.04 -50.39 -16.70 0.63 -48.72 -18.32 1.68 -49.53 -19.09 2 0 4.73-999 ?-999 ?-999 ? O1P AMP A 901 mILE.C 64 -0.52 -53.36 -11.56 0.00 -53.31 -12.42 -0.60 -52.61 -9.21 0.24 -53.12 -8.47 -1.28 -53.43 -10.32 -1.45 -54.90 -9.87 3 0 5.67-999 ?-999 ?-999 ? O2P AMP A 901 mARG.C 65 -0.98 -51.34 -9.12 -1.68 -51.08 -9.78 -1.51 -49.50 -7.59 -2.31 -48.97 -8.36 -0.42 -50.42 -8.13 0.65 -49.57 -8.78 2 0 -4.56-999 ?-999 ?-999 ? O2P AMP A 901s mLEU.C 66 -1.54 -49.32 -6.28 -0.83 -49.82 -5.79 -2.45 -47.03 -6.18 -1.36 -46.52 -6.46 -2.53 -48.45 -5.64 -2.30 -48.45 -4.12 3 0 7.71-999 ?-999 ?-999 ? O2P AMP A 901 mSER.C 67 -3.61 -46.39 -6.32 -4.41 -46.93 -6.05 -3.21 -44.04 -5.76 -2.96 -42.87 -6.03 -3.69 -45.02 -6.82 -5.14 -44.70 -7.20 2 0 7.74-999 ?-999 ?-999 ? O3P AMP A 901 mTHR.C 68 -3.09 -44.54 -4.54 -3.34 -45.51 -4.47 -1.11 -43.88 -3.26 -0.51 -43.28 -2.37 -2.63 -43.74 -3.41 -3.34 -44.20 -2.13 2 0 9.51-999 ?-999 ?-999 ? O3' AMP A 901 mASP.C 69 -0.51 -44.69 -4.14 -1.14 -45.11 -4.79 1.57 -43.79 -4.93 1.75 -43.89 -6.14 0.93 -44.92 -4.14 1.23 -46.27 -4.81 2 0 7.24-999 ?-999 ?-999 ? O3' AMP A 901 mLEU.C 70 1.93 -42.72 -4.24 1.75 -42.78 -3.26 3.79 -41.81 -5.68 4.60 -42.69 -5.35 2.52 -41.55 -4.89 2.79 -40.45 -3.85 3 0 6.42-999 ?-999 ?-999 ? O3' AMP A 901 mPRO^C 71 3.98 -41.03 -6.76 3.24 -40.38 -6.90 6.41 -40.52 -7.00 6.34 -39.55 -6.24 5.14 -41.11 -7.66 4.72 -40.26 -8.86 3 0 -4.55-999 ?-999 ?-999 ? O3' AMP A 901s mILE^C 72 7.56 -41.12 -7.29 7.46 -41.92 -7.88 9.74 -40.51 -7.98 9.93 -41.49 -8.71 8.84 -40.64 -6.77 9.52 -41.65 -5.82 3 0 7.12-999 ?-999 ?-999 ? O2' AMP A 901 mILE^C 73 10.29 -39.33 -8.21 10.04 -38.60 -7.57 12.61 -38.87 -8.86 12.85 -37.93 -8.10 11.18 -39.16 -9.34 10.73 -38.02 -10.27 3 0 7.88-999 ?-999 ?-999 ? O2' AMP A 901 mVAL^C 74 13.54 -39.70 -9.29 13.20 -40.43 -9.89 15.57 -38.95 -10.15 15.61 -39.59 -11.21 14.93 -39.55 -8.92 15.60 -40.92 -8.65 3 0 8.04-999 ?-999 ?-999 ? C2 AMP B 903 mGLU^C 75 16.08 -37.74 -10.00 16.00 -37.35 -9.08 18.23 -36.95 -10.95 18.74 -36.52 -9.92 16.72 -37.05 -11.11 16.11 -35.66 -11.26 2 0 -5.14-999 ?-999 ?-999 ? C2 AMP B 903s mVAL^C 76 18.94 -37.35 -11.99 18.40 -37.68 -12.77 20.90 -36.57 -13.22 20.49 -36.86 -14.34 20.39 -37.30 -11.99 21.01 -38.71 -12.02 3 0 3.86-999 ?-999 ?-999 ? N1 AMP B 903 mVAL^C 77 21.81 -35.63 -13.00 22.04 -35.49 -12.04 23.91 -35.18 -14.01 24.56 -34.86 -13.00 22.41 -34.88 -14.11 22.07 -33.38 -13.99 3 0 -3.82-999 ?-999 ?-999 ? N1 AMP B 903s mASP^C 78 24.48 -35.79 -15.05 23.86 -35.98 -15.81 26.36 -36.41 -16.47 25.57 -36.36 -17.42 25.90 -36.15 -15.04 26.09 -37.43 -14.21 2 0 5.43-999 ?-999 ?-999 ? N6 AMP B 903 mARG^C 79 27.65 -36.70 -16.61 28.15 -36.69 -15.74 27.67 -38.31 -18.48 27.21 -39.17 -17.74 28.27 -37.01 -17.90 29.78 -37.15 -17.68 2 0 9.06-999 ?-999 ?-999 ? N6 AMP B 903 mGLY~C 80 27.71 -38.44 -19.80 28.14 -37.67 -20.28 27.55 -40.98 -19.99 26.68 -41.81 -19.69 27.15 -39.60 -20.48-999.99-999.99-999.99 1 0 11.95-999 ?-999 ?-999 ? N6 AMP B 903 mHIS~C 81 28.84 -41.26 -19.91 29.46 -40.53 -20.20 28.76 -42.88 -18.04 28.39 -44.01 -17.73 29.28 -42.58 -19.44 30.80 -42.67 -19.49 3 0 13.64-999 ?-999 ?-999 ? N6 AMP B 903 mASN~C 82 28.72 -41.86 -17.19 29.05 -41.00 -17.57 26.77 -42.45 -15.76 26.36 -43.28 -14.95 28.22 -42.03 -15.82 28.40 -40.74 -15.04 2 0 10.77-999 ?-999 ?-999 ? N6 AMP B 903 mILE~C 83 25.97 -41.82 -16.62 26.44 -41.15 -17.19 24.34 -43.49 -17.26 23.47 -44.23 -16.85 24.55 -42.10 -16.69 23.93 -40.97 -17.50 3 0 10.49-999 ?-999 ?-999 ? N6 AMP B 903 mGLU~C 84 25.21 -43.83 -18.20 25.87 -43.11 -18.43 25.32 -46.12 -17.69 24.50 -47.02 -17.52 25.16 -45.14 -18.84 26.30 -45.21 -19.81 2 0 14.24-999 ?-999 ?-999 ? N6 AMP B 903 mLYS~C 85 26.37 -45.92 -16.90 26.93 -45.14 -17.16 25.53 -46.86 -14.76 25.20 -47.94 -14.24 26.67 -46.79 -15.77 27.97 -46.33 -15.10 2 0 14.44-999 ?-999 ?-999 ? N6 AMP B 903 mVAL~C 86 24.91 -45.72 -14.47 25.27 -44.92 -14.94 22.66 -46.57 -14.03 22.19 -47.46 -13.32 23.80 -45.69 -13.53 23.26 -44.26 -13.35 3 0 12.23-999 ?-999 ?-999 ? N1 AMP B 903 mVAL~C 87 22.23 -46.30 -15.25 22.70 -45.56 -15.71 21.45 -48.54 -15.82 20.57 -49.38 -15.61 21.13 -47.06 -15.83 20.85 -46.64 -17.28 3 0 14.12-999 ?-999 ?-999 ? N1 AMP B 903 mASN~C 88 22.72 -48.87 -16.05 23.34 -48.10 -16.19 22.84 -50.98 -14.73 22.54 -52.17 -14.63 23.09 -50.29 -16.07 24.58 -50.38 -16.44 2 0 17.26-999 ?-999 ?-999 ? N1 AMP B 903 mVAL~C 89 23.00 -50.19 -13.66 23.16 -49.23 -13.86 21.50 -50.83 -11.76 21.15 -51.69 -10.97 22.93 -50.74 -12.30 23.78 -49.85 -11.38 3 0 16.85-999 ?-999 ?-999 ? N1 AMP B 903 mILE~C 90 20.62 -49.88 -12.18 20.95 -49.26 -12.90 18.15 -50.41 -12.42 17.00 -50.54 -12.00 19.28 -49.79 -11.57 18.92 -48.32 -11.38 3 0 14.84-999 ?-999 ?-999 ? O4' AMP A 901 mLYS~C 91 18.43 -50.82 -13.65 19.37 -50.67 -13.94 16.72 -52.58 -13.71 15.50 -52.66 -13.65 17.40 -51.44 -14.48 18.03 -52.01 -15.75 2 0 13.83-999 ?-999 ?-999 ? O4' AMP A 901 mPRO~C 92 17.53 -53.49 -13.12 18.50 -53.31 -13.24 16.08 -54.27 -11.19 15.29 -55.10 -10.75 17.01 -54.63 -12.35 18.29 -55.31 -11.85 3 0 15.11-999 ?-999 ?-999 ? O5' AMP A 901 mMET~C 93 16.16 -53.05 -10.70 16.82 -52.44 -11.15 14.05 -51.95 -9.97 13.14 -51.80 -9.16 15.33 -52.67 -9.57 16.15 -51.81 -8.62 2 0 13.01-999 ?-999 ?-999 ? O5' AMP A 901 mILE~C 94 13.97 -51.53 -11.23 14.77 -51.75 -11.79 11.76 -51.73 -12.38 11.91 -52.16 -13.52 12.80 -50.82 -11.74 13.20 -49.76 -12.78 3 0 9.68-999 ?-999 ?-999 ? O5' AMP A 901 mLYS.C 95 10.69 -52.00 -11.65 10.68 -51.59 -10.74 8.39 -51.97 -12.43 7.87 -51.31 -11.52 9.63 -52.84 -12.18 9.32 -53.99 -11.20 2 0 8.05-999 ?-999 ?-999 ? O5' AMP A 901 mASP.C 96 7.94 -51.95 -13.67 8.45 -52.52 -14.31 6.93 -49.65 -13.71 6.02 -49.04 -13.17 6.79 -51.14 -14.05 5.52 -51.71 -13.41 2 0 -4.93-999 ?-999 ?-999 ? O1P AMP A 901s mGLY.C 97 8.09 -49.09 -14.04 8.76 -49.70 -14.46 8.74 -47.09 -15.11 8.19 -47.46 -16.14 8.33 -47.69 -13.78-999.99-999.99-999.99 1 0 4.38-999 ?-999 ?-999 ? O4' AMP A 901 mMET^C 98 9.69 -46.17 -15.09 10.05 -45.94 -14.19 11.43 -44.79 -16.12 11.63 -44.14 -15.10 10.15 -45.57 -16.33 9.08 -44.65 -16.92 2 0 -5.40-999 ?-999 ?-999 ? C8 AMP A 901s mILE^C 99 12.30 -44.86 -17.12 12.01 -45.43 -17.89 13.69 -43.36 -18.36 13.56 -43.92 -19.44 13.56 -44.16 -17.07 14.75 -45.16 -16.96 3 0 8.68-999 ?-999 ?-999 ? C8 AMP A 901 mTHR^C 100 13.95 -42.07 -18.23 14.01 -41.75 -17.28 15.43 -40.47 -19.29 16.02 -40.31 -18.21 14.11 -41.21 -19.38 12.98 -40.15 -19.51 2 0 9.72-999 ?-999 ?-999 ? C6 AMP A 901 mVAL^C 101 15.90 -40.02 -20.45 15.33 -40.23 -21.25 17.08 -38.34 -21.71 16.46 -38.62 -22.73 17.13 -39.29 -20.54 18.33 -40.25 -20.72 3 0 12.28-999 ?-999 ?-999 ? N1 AMP B 903 mGLU^C 102 17.73 -37.19 -21.55 18.13 -37.08 -20.64 18.93 -35.20 -22.17 19.14 -34.98 -20.99 17.85 -36.19 -22.60 16.51 -35.47 -22.87 2 0 12.95-999 ?-999 ?-999 ? N1 AMP B 903 mPRO^C 103 19.62 -34.58 -23.14 19.31 -34.82 -24.06 20.28 -32.41 -22.16 19.10 -32.09 -21.99 20.71 -33.65 -22.92 21.30 -33.26 -24.28 3 0 12.53-999 ?-999 ?-999 ? N1 AMP B 903 mTHR^C 104 21.30 -31.77 -21.62 22.18 -32.23 -21.71 22.53 -29.90 -20.83 23.55 -30.58 -20.92 21.16 -30.50 -20.95 20.57 -30.77 -19.56 2 0 11.10-999 ?-999 ?-999 ? N1 AMP B 903 mILE^C 105 22.57 -28.58 -20.70 21.70 -28.09 -20.78 23.95 -27.50 -19.02 23.04 -26.86 -18.49 23.85 -27.98 -20.46 24.01 -26.82 -21.44 3 0 11.29-999 ?-999 ?-999 ? N6 AMP B 903 mVAL^C 106 24.99 -27.86 -18.28 25.67 -28.45 -18.73 26.07 -26.24 -16.96 27.20 -26.37 -17.43 25.07 -27.38 -16.90 25.38 -28.52 -15.87 3 0 8.84-999 ?-999 ?-999 ? N6 AMP B 903 mLEU^C 107 25.59 -25.07 -16.54 24.64 -25.12 -16.23 27.29 -23.73 -15.33 26.77 -23.75 -14.20 26.38 -23.84 -16.54 25.42 -22.64 -16.60 3 0 11.58-999 ?-999 ?-999 ? N6 AMP B 903