HEADER UNKNOWN FUNCTION 12-JAN-04 1S2X COMPND CAG-Z; COMPND 3 CHAIN: A; COMPND 4 ENGINEERED: YES; COMPND 5 MUTATION: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: HELICOBACTER PYLORI; SOURCE 3 ORGANISM_TAXID: 210; SOURCE 4 GENE: CAGZ; 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: PGEX-4T-3 AUTHOR L.CENDRON,A.SEYDEL,A.ANGELINI,R.BATTISTUTTA,G.ZANOTTI HET MSE A 21 8 HET MSE A 59 8 HET MSE A 144 8 HET MSE A 145 8 HET IPA A 201 4 SITE 1 AC1 1 SER A 124 mVAL.A 0 -57.32 57.77 37.34 -56.94 57.30 36.54 -56.82 58.80 39.55 -55.70 58.29 39.56 -57.88 58.45 38.51 -58.96 57.58 39.15 3 0 39.71-999 ?-999 ?-999 ? O2 IPA A 201 mASP.A 1 -57.20 59.70 40.45 -58.15 60.00 40.33 -56.50 59.42 42.82 -56.29 59.94 43.91 -56.34 60.20 41.52 -56.62 61.68 41.78 2 0 37.44-999 ?-999 ?-999 ? O2 IPA A 201 mGLU.A 2 -56.87 58.15 42.71 -57.13 57.86 41.79 -55.92 56.12 43.68 -56.00 55.08 44.33 -56.87 57.29 43.89 -58.30 56.83 44.21 2 0 35.09-999 ?-999 ?-999 ? O2 IPA A 201 mLEU.A 3 -54.98 56.32 42.76 -55.05 57.23 42.33 -52.59 55.79 42.88 -52.42 56.97 43.23 -53.96 55.37 42.37 -53.88 55.26 40.85 3 0 33.48-999 ?-999 ?-999 ? O2 IPA A 201 mGLY.A 4 -51.64 54.87 42.91 -51.93 53.95 42.64 -50.05 55.01 44.79 -49.12 55.60 45.34 -50.28 55.22 43.30-999.99-999.99-999.99 1 0 30.54-999 ?-999 ?-999 ? O2 IPA A 201 mPHE.A 5 -50.90 54.20 45.40 -51.59 53.83 44.78 -50.59 55.12 47.68 -49.55 55.20 48.32 -50.84 53.88 46.83 -49.77 52.82 47.07 3 0 27.91-999 ?-999 ?-999 ? O2 IPA A 201 mASN~A 6 -51.53 56.04 47.63 -52.27 55.69 47.05 -51.37 57.34 49.71 -51.48 56.30 50.35 -51.67 57.34 48.21 -53.10 57.88 48.07 2 0 28.98-999 ?-999 ?-999 ? O2 IPA A 201 mGLU~A 7 -51.03 58.51 50.24 -50.90 59.24 49.57 -52.18 58.27 52.37 -52.19 57.71 53.46 -50.88 58.66 51.68 -50.46 60.08 52.03 2 0 27.17-999 ?-999 ?-999 ? O2 IPA A 201 mALA~A 8 -53.31 58.55 51.73 -53.21 58.98 50.84 -54.85 56.72 52.38 -55.43 56.16 53.31 -54.59 58.22 52.37 -55.73 58.93 51.65 2 0 29.24-999 ?-999 ?-999 ? O2 IPA A 201 mGLU~A 9 -54.40 56.06 51.32 -53.94 56.61 50.62 -53.66 53.92 52.23 -53.95 52.91 52.87 -54.60 54.61 51.24 -54.36 54.15 49.81 2 0 28.22-999 ?-999 ?-999 ? O2 IPA A 201 mARG~A 10 -52.48 54.52 52.36 -52.34 55.31 51.77 -51.97 54.17 54.73 -51.81 53.24 55.53 -51.49 54.02 53.30 -50.18 54.77 53.04 2 0 24.56-999 ?-999 ?-999 ? O2 IPA A 201 mGLN~A 11 -52.58 55.31 55.03 -52.66 55.93 54.25 -54.22 54.71 56.76 -54.48 54.44 57.93 -53.07 55.63 56.37 -53.46 57.10 56.45 2 0 25.16-999 ?-999 ?-999 ? O2 IPA A 201 mLYS~A 12 -54.93 54.22 55.75 -54.63 54.50 54.84 -55.57 51.99 56.52 -56.15 51.35 57.39 -56.06 53.34 56.02 -56.93 53.16 54.78 2 0 26.86-999 ?-999 ?-999 ? O2 IPA A 201 mILE~A 13 -54.46 51.56 55.92 -54.11 52.15 55.20 -53.18 50.44 57.69 -53.13 49.50 58.49 -53.85 50.29 56.34 -52.88 49.82 55.24 3 0 23.87-999 ?-999 ?-999 ? O2 IPA A 201 mLEU~A 14 -52.67 51.62 58.04 -52.67 52.32 57.33 -53.28 51.69 60.44 -53.23 50.87 61.35 -52.16 51.80 59.40 -51.45 53.14 59.51 3 0 21.80-999 ?-999 ?-999 ? O2 IPA A 201 mASP~A 15 -54.32 52.52 60.34 -54.26 53.15 59.56 -56.15 51.16 61.30 -56.58 50.66 62.34 -55.43 52.51 61.28 -56.45 53.59 60.91 2 0 24.57-999 ?-999 ?-999 ? O2 IPA A 201 mSER~A 16 -56.29 50.56 60.13 -55.91 51.06 59.35 -56.28 48.22 60.89 -56.95 47.38 61.49 -56.97 49.28 60.03 -57.02 48.82 58.57 2 0 25.36-999 ?-999 ?-999 ? O2 IPA A 201 mASN~A 17 -54.96 48.27 60.91 -54.60 49.08 60.45 -53.48 47.76 62.83 -52.54 47.15 63.34 -54.09 47.28 61.52 -52.94 46.93 60.56 2 0 21.92-999 ?-999 ?-999 ? O2 IPA A 201 mSER.A 18 -53.97 48.87 63.36 -54.81 49.22 62.94 -53.53 48.79 65.80 -52.93 49.17 66.82 -53.28 49.50 64.48 -53.71 50.97 64.61 2 0 21.23-999 ?-999 ?-999 ? O2 IPA A 201 mSER.A 19 -54.38 47.76 65.82 -54.72 47.43 64.94 -53.55 46.45 67.75 -53.33 46.54 68.96 -54.71 47.22 67.13 -55.94 46.29 67.10 2 0 22.17-999 ?-999 ?-999 ? O2 IPA A 201 mLEU.A 20 -52.82 45.69 66.93 -53.05 45.69 65.96 -50.69 45.84 68.19 -49.98 45.42 69.10 -51.74 44.92 67.57 -51.12 43.96 66.56 3 0 19.03-999 ?-999 ?-999 ? O2 IPA A 201 mMETA 21 -50.61 47.08 67.73 -51.32 47.30 67.07 -50.05 48.95 69.23 -49.28 49.78 69.71 -49.59 48.03 68.12 -49.17 48.88 66.91 2 0 17.42-999 ?-999 ?-999 ? O2 IPA A 201 mARG.A 22 -51.31 48.80 69.63 -51.82 48.06 69.20 -51.01 49.71 71.90 -50.84 48.66 72.52 -51.85 49.72 70.63 -53.30 49.35 70.96 2 0 20.48-999 ?-999 ?-999 ? O2 IPA A 201 mASN~A 23 -50.49 50.88 72.25 -50.65 51.60 71.57 -48.40 50.46 73.54 -47.82 50.34 74.62 -49.78 51.12 73.49 -50.62 50.63 74.68 2 0 19.99-999 ?-999 ?-999 ? O2 IPA A 201 mALA~A 24 -47.88 50.04 72.39 -48.44 50.24 71.59 -45.48 50.13 73.02 -44.69 49.58 73.79 -46.60 49.34 72.35 -46.21 49.06 70.91 2 0 16.22-999 ?-999 ?-999 ? O2 IPA A 201 mASN~A 25 -45.37 51.43 72.75 -46.03 51.81 72.11 -44.52 52.29 74.93 -43.56 52.20 75.69 -44.29 52.16 73.43 -44.10 53.55 72.79 2 0 16.08-999 ?-999 ?-999 ? O2 IPA A 201 mGLU~A 26 -45.76 52.48 75.40 -46.48 52.53 74.71 -45.72 51.30 77.56 -45.27 51.29 78.71 -45.97 52.61 76.83 -47.40 53.08 77.12 2 0 19.28-999 ?-999 ?-999 ? O2 IPA A 201 mVAL~A 27 -46.05 50.21 76.87 -46.45 50.38 75.97 -44.31 48.63 77.61 -43.85 48.17 78.66 -45.81 48.88 77.45 -46.42 47.77 76.58 3 0 18.19-999 ?-999 ?-999 ? O2 IPA A 201 mARG~A 28 -43.58 48.98 76.55 -44.09 49.34 75.77 -41.51 49.65 77.71 -40.71 49.17 78.51 -42.12 48.80 76.59 -41.47 49.18 75.26 2 0 15.12-999 ?-999 ?-999 ? O2 IPA A 201 mASP~A 29 -41.93 50.92 77.70 -42.62 51.14 77.02 -41.60 51.40 80.07 -40.74 51.40 80.93 -41.37 51.88 78.64 -41.98 53.27 78.42 2 0 17.21-999 ?-999 ?-999 ? C2 IPA A 201 mLYS~A 30 -42.82 50.97 80.35 -43.45 50.97 79.58 -42.47 49.26 82.08 -42.01 49.10 83.21 -43.17 50.55 81.70 -44.70 50.38 81.78 2 0 20.01-999 ?-999 ?-999 ? C2 IPA A 201 mPHE~A 31 -42.39 48.32 81.12 -42.82 48.53 80.24 -40.24 47.40 81.76 -39.67 46.91 82.73 -41.69 47.07 81.45 -41.80 46.05 80.31 3 0 18.20-999 ?-999 ?-999 ? C2 IPA A 201 mILE~A 32 -39.62 48.22 80.92 -40.19 48.58 80.17 -37.97 49.15 82.49 -37.13 48.74 83.29 -38.21 48.54 81.12 -37.75 49.54 80.04 3 0 16.55-999 ?-999 ?-999 ? C2 IPA A 201 mGLN~A 33 -38.77 50.17 82.78 -39.41 50.44 82.05 -38.88 49.87 85.24 -38.27 50.02 86.30 -38.68 50.82 84.08 -39.72 51.97 84.15 2 0 19.99-999 ?-999 ?-999 ? C2 IPA A 201 mASN~A 34 -39.73 48.87 85.12 -40.17 48.76 84.23 -39.03 46.81 86.31 -38.90 46.18 87.37 -39.95 48.01 86.28 -41.42 47.54 86.30 2 0 21.77-999 ?-999 ?-999 ? C2 IPA A 201 mTYR~A 35 -38.35 46.43 85.22 -38.42 47.02 84.41 -36.16 45.30 84.85 -35.32 44.45 85.10 -37.58 45.18 85.35 -38.30 44.06 84.58 3 0 19.82-999 ?-999 ?-999 ? C2 IPA A 201 mALA~A 36 -35.86 46.37 84.10 -36.55 47.10 84.04 -33.61 47.45 83.91 -32.46 47.49 83.46 -34.55 46.35 83.44 -34.74 46.42 81.94 2 0 17.35-999 ?-999 ?-999 ? C2 IPA A 201 mTHR~A 37 -34.03 48.35 84.80 -34.98 48.27 85.11 -31.89 48.78 85.99 -30.77 49.29 85.90 -33.07 49.37 85.23 -33.75 50.43 86.12 2 0 19.47-999 ?-999 ?-999 ? C2 IPA A 201 mSER~A 38 -32.08 47.70 86.75 -33.02 47.36 86.75 -29.86 46.52 86.65 -28.76 46.28 87.18 -30.99 47.09 87.51 -31.55 45.99 88.42 2 0 21.21-999 ?-999 ?-999 ? C1 IPA A 201 mLEU~A 39 -30.04 46.30 85.35 -30.97 46.44 85.03 -27.72 46.82 84.65 -26.56 46.42 84.57 -28.93 45.88 84.50 -29.30 45.87 83.01 3 0 18.13-999 ?-999 ?-999 ? C1 IPA A 201 mLYS~A 40 -28.04 48.09 84.85 -29.02 48.25 84.89 -26.17 48.87 86.24 -25.00 49.24 86.32 -27.02 49.12 85.01 -27.71 50.48 85.08 2 0 19.59-999 ?-999 ?-999 ? C1 IPA A 201 mASP~A 41 -26.73 48.20 87.26 -27.69 47.93 87.16 -25.24 46.54 88.34 -24.85 46.00 89.38 -25.88 47.91 88.42 -26.68 48.04 89.72 2 0 22.76-999 ?-999 ?-999 ? C1 IPA A 201 mSER~A 42 -25.13 45.95 87.14 -25.49 46.45 86.36 -23.06 44.69 87.61 -22.31 45.62 87.29 -24.50 44.63 87.08 -24.53 44.08 85.65 2 0 21.40-999 ?-999 ?-999 ? C1 IPA A 201 mASN.A 43 -22.63 43.72 88.40 -23.29 42.99 88.59 -20.19 43.47 87.88 -19.08 44.01 87.99 -21.26 43.77 88.92 -21.09 42.74 90.05 2 0 24.20-999 ?-999 ?-999 ? C1 IPA A 201 mASP~A 44 -20.47 42.61 86.91 -21.44 42.35 86.87 -20.12 41.44 84.80 -21.32 41.21 84.87 -19.46 42.10 86.00 -18.56 41.11 86.76 2 0 22.43-999 ?-999 ?-999 ? C1 IPA A 201 mPRO~A 45 -19.40 41.17 83.72 -18.43 41.42 83.81 -20.92 39.39 82.78 -22.01 39.29 82.20 -19.98 40.55 82.53 -18.72 40.04 81.80 3 0 19.38-999 ?-999 ?-999 ? C1 IPA A 201 mGLN~A 46 -20.57 38.43 83.64 -19.73 38.53 84.16 -22.64 37.62 84.69 -23.68 36.96 84.71 -21.53 37.31 83.70 -20.81 36.00 84.02 2 0 20.32-999 ?-999 ?-999 ? C1 IPA A 201 mASP~A 47 -22.43 38.63 85.53 -21.54 39.08 85.48 -24.57 39.77 85.62 -25.76 39.67 85.91 -23.53 39.01 86.44 -23.05 39.86 87.60 2 0 21.53-999 ?-999 ?-999 ? C1 IPA A 201 mPHE~A 48 -24.10 40.51 84.64 -23.10 40.57 84.64 -25.80 40.12 82.94 -27.01 40.24 82.83 -24.93 41.17 83.64 -24.07 41.93 82.63 3 0 18.11-999 ?-999 ?-999 ? C1 IPA A 201 mLEU~A 49 -25.16 39.06 82.44 -24.18 39.04 82.65 -26.84 37.26 82.54 -27.89 36.83 82.09 -25.87 38.04 81.67 -24.89 37.08 81.00 3 0 16.70-999 ?-999 ?-999 ? C1 IPA A 201 mARG~A 50 -26.45 37.09 83.80 -25.52 37.39 84.02 -28.58 37.39 84.93 -29.71 36.92 85.03 -27.36 36.49 84.76 -26.70 36.32 86.13 2 0 19.72-999 ?-999 ?-999 ? C1 IPA A 201 mARG~A 51 -28.35 38.70 84.95 -27.39 38.98 84.86 -30.26 39.69 83.81 -31.46 39.95 83.80 -29.47 39.62 85.10 -28.94 41.00 85.49 2 0 18.92-999 ?-999 ?-999 ? C1 IPA A 201 mVAL~A 52 -29.58 39.44 82.69 -28.60 39.29 82.81 -31.16 38.14 81.32 -32.32 38.21 80.90 -30.29 39.39 81.40 -29.31 39.45 80.22 3 0 15.35-999 ?-999 ?-999 ? C1 IPA A 201 mGLN~A 53 -30.71 36.96 81.71 -29.72 36.94 81.87 -32.82 36.11 82.76 -33.97 35.81 82.43 -31.59 35.82 81.91 -30.85 34.68 82.63 2 0 17.13-999 ?-999 ?-999 ? C1 IPA A 201 mGLU~A 54 -32.64 36.71 83.93 -31.68 36.91 84.17 -34.74 38.00 84.11 -35.96 37.97 84.28 -33.79 37.03 84.78 -33.30 37.60 86.12 2 0 19.53-999 ?-999 ?-999 ? C1 IPA A 201 mLEU~A 55 -34.19 38.93 83.32 -33.19 38.94 83.32 -35.87 39.07 81.54 -37.04 39.41 81.36 -35.01 39.84 82.54 -34.16 40.88 81.78 3 0 16.91-999 ?-999 ?-999 ? C1 IPA A 201 mARG~A 56 -35.27 38.08 80.88 -34.30 37.95 81.08 -37.13 36.51 80.68 -38.23 36.31 80.18 -36.04 37.28 79.94 -35.19 36.27 79.17 2 0 15.65-999 ?-999 ?-999 ? C1 IPA A 201 mILE~A 57 -36.78 36.03 81.86 -35.84 36.23 82.15 -38.88 36.24 83.01 -40.07 35.89 82.92 -37.78 35.26 82.61 -37.17 34.52 83.81 3 0 19.35-999 ?-999 ?-999 ? C1 IPA A 201 mASN~A 58 -38.53 37.46 83.41 -37.55 37.64 83.46 -40.40 38.80 82.50 -41.61 39.03 82.56 -39.59 38.43 83.74 -38.99 39.68 84.41 2 0 19.97-999 ?-999 ?-999 ? C2 IPA A 201 mMETA 59 -39.75 38.85 81.34 -38.76 38.71 81.39 -41.52 37.98 79.91 -42.71 38.19 79.61 -40.50 39.11 80.11 -39.56 39.20 78.92 2 0 17.04-999 ?-999 ?-999 ? O2 IPA A 201 mGLN~A 60 -41.14 36.72 80.06 -40.19 36.61 80.35 -43.24 35.65 80.81 -44.41 35.48 80.47 -42.09 35.62 79.82 -41.41 34.26 79.90 2 0 18.84-999 ?-999 ?-999 ? O2 IPA A 201 mLYS~A 61 -42.91 35.86 82.08 -41.93 35.98 82.23 -44.90 37.06 82.92 -46.01 36.99 83.45 -43.91 35.92 83.13 -43.26 36.06 84.50 2 0 22.17-999 ?-999 ?-999 ? O2 IPA A 201 mASN~A 62 -44.51 38.09 82.18 -43.59 38.00 81.80 -46.04 39.20 80.59 -46.61 40.18 80.11 -45.38 39.25 81.96 -44.57 40.55 82.13 2 0 21.08-999 ?-999 ?-999 ? O2 IPA A 201 mPHE.A 63 -45.96 38.04 79.95 -45.51 37.34 80.51 -45.96 38.78 77.58 -46.66 39.12 76.64 -46.44 37.77 78.61 -47.98 37.69 78.60 3 0 19.76-999 ?-999 ?-999 ? O2 IPA A 201 mILE.A 64 -44.71 39.26 77.72 -44.21 39.03 78.56 -44.03 39.17 75.41 -43.56 38.03 75.51 -44.22 40.08 76.61 -42.90 40.77 76.93 3 0 16.25-999 ?-999 ?-999 ? O2 IPA A 201 mSER.A 65 -44.41 39.64 74.22 -44.74 40.58 74.20 -44.01 39.56 71.80 -44.74 40.48 71.44 -44.30 38.76 73.06 -45.59 37.95 72.85 2 0 14.59-999 ?-999 ?-999 ? O2 IPA A 201 mPHE~A 66 -42.92 39.19 71.14 -42.39 38.45 71.55 -43.31 39.24 68.73 -43.52 39.89 67.71 -42.56 39.87 69.89 -41.06 39.78 69.65 3 0 11.37-999 ?-999 ?-999 ? O2 IPA A 201 mASP~A 67 -43.70 37.98 68.92 -43.41 37.58 69.80 -45.65 38.12 67.42 -45.98 38.15 66.23 -44.48 37.27 67.91 -44.95 35.93 68.49 2 0 13.62-999 ?-999 ?-999 ? O2 IPA A 201 mALA~A 68 -46.27 38.87 68.34 -45.92 38.79 69.27 -46.95 40.73 66.88 -47.64 40.95 65.89 -47.39 39.71 67.92 -47.97 40.42 69.13 2 0 15.34-999 ?-999 ?-999 ? O2 IPA A 201 mTYR~A 69 -45.80 41.38 67.11 -45.33 41.11 67.95 -45.01 41.73 64.82 -45.11 42.42 63.81 -45.32 42.39 66.17 -44.07 43.13 66.64 3 0 12.60-999 ?-999 ?-999 ? O2 IPA A 201 mTYR~A 70 -44.65 40.46 64.86 -44.57 40.11 65.79 -45.65 39.58 62.83 -45.60 39.76 61.62 -44.38 39.63 63.69 -43.93 38.21 64.04 3 0 12.50-999 ?-999 ?-999 ? O2 IPA A 201 mASN~A 71 -46.76 39.33 63.52 -46.63 39.24 64.50 -48.55 40.58 62.38 -49.10 40.69 61.28 -48.06 39.21 62.86 -49.10 38.57 63.77 2 0 16.21-999 ?-999 ?-999 ? O2 IPA A 201 mTYR~A 72 -48.34 41.61 63.19 -47.92 41.38 64.07 -48.06 43.28 61.43 -48.74 43.67 60.48 -48.71 42.97 62.78 -48.30 44.03 63.82 3 0 16.17-999 ?-999 ?-999 ? O2 IPA A 201 mLEU~A 73 -46.75 43.08 61.32 -46.30 42.74 62.15 -46.56 42.49 58.91 -46.72 43.03 57.81 -46.07 43.36 60.07 -44.56 43.17 60.23 3 0 14.40-999 ?-999 ?-999 ? O2 IPA A 201 mASN~A 74 -46.79 41.21 59.16 -46.58 40.90 60.09 -48.65 40.86 57.60 -48.90 40.98 56.40 -47.30 40.35 58.09 -47.40 38.89 58.56 2 0 16.75-999 ?-999 ?-999 ? O2 IPA A 201 mASN~A 75 -49.56 41.16 58.52 -49.26 41.00 59.46 -50.79 42.96 57.36 -51.45 43.12 56.34 -50.88 41.68 58.18 -51.68 41.97 59.44 2 0 19.69-999 ?-999 ?-999 ? O2 IPA A 201 mLEU~A 76 -49.95 43.89 57.84 -49.50 43.63 58.69 -49.17 44.97 55.76 -49.64 45.57 54.80 -49.72 45.15 57.17 -48.72 46.00 57.97 3 0 18.97-999 ?-999 ?-999 ? O2 IPA A 201 mVAL~A 77 -48.15 44.13 55.65 -47.85 43.70 56.51 -48.51 43.28 53.37 -48.53 43.69 52.20 -47.52 43.88 54.36 -46.30 42.96 54.49 3 0 18.56-999 ?-999 ?-999 ? O2 IPA A 201 mLEU~A 78 -49.31 42.33 53.86 -49.16 42.13 54.83 -51.33 42.66 52.53 -51.62 42.73 51.33 -50.29 41.66 53.03 -50.94 40.52 53.81 3 0 21.70-999 ?-999 ?-999 ? O2 IPA A 201 mALA~A 79 -51.87 43.42 53.48 -51.48 43.26 54.39 -52.46 45.47 52.24 -53.31 45.91 51.46 -52.91 44.40 53.24 -53.39 45.08 54.51 2 0 23.64-999 ?-999 ?-999 ? O2 IPA A 201 mSER~A 80 -51.20 45.84 52.30 -50.72 45.37 53.04 -50.39 46.22 50.03 -50.60 46.90 49.03 -50.54 46.80 51.44 -49.16 47.18 51.99 2 0 22.91-999 ?-999 ?-999 ? O2 IPA A 201 mTYR~A 81 -50.03 44.94 49.97 -49.88 44.53 50.87 -51.19 44.07 47.97 -51.23 44.25 46.77 -49.87 44.19 48.74 -49.37 42.78 49.01 3 0 24.04-999 ?-999 ?-999 ? O2 IPA A 201 mASN~A 82 -52.22 43.76 48.74 -51.97 43.67 49.71 -54.14 44.88 47.72 -54.85 44.85 46.71 -53.58 43.58 48.27 -54.44 43.05 49.41 2 0 27.10-999 ?-999 ?-999 ? O2 IPA A 201 mARG~A 83 -53.82 46.00 48.35 -53.28 45.86 49.18 -53.47 47.68 46.57 -54.04 48.08 45.55 -54.22 47.32 47.85 -53.97 48.38 48.92 2 0 28.06-999 ?-999 ?-999 ? O2 IPA A 201 mCYH~A 84 -52.15 47.53 46.57 -51.76 47.20 47.43 -51.68 46.96 44.20 -51.61 47.40 43.05 -51.37 47.86 45.38 -49.87 47.80 45.71 2 0 27.78-999 ?-999 ?-999 ? O2 IPA A 201 mLYS~A 85 -52.01 45.69 44.45 -52.06 45.45 45.42 -53.54 45.15 42.59 -53.52 45.06 41.36 -52.26 44.76 43.35 -52.37 43.32 43.84 2 0 29.62-999 ?-999 ?-999 ? O2 IPA A 201 mGLN~A 86 -54.55 45.55 43.33 -54.32 45.49 44.31 -55.66 47.33 42.13 -56.18 47.51 41.02 -55.84 46.02 42.89 -56.80 46.22 44.06 2 0 32.46-999 ?-999 ?-999 ? O2 IPA A 201 mGLU~A 87 -54.90 48.24 42.73 -54.60 48.00 43.65 -53.90 49.14 40.72 -54.32 49.60 39.65 -54.57 49.49 42.04 -53.68 50.39 42.89 2 0 32.60-999 ?-999 ?-999 ? O2 IPA A 201 mLYS~A 88 -52.86 48.30 40.81 -52.66 47.99 41.74 -53.03 47.37 38.55 -52.88 47.69 37.37 -52.10 47.89 39.64 -51.06 46.82 39.97 2 0 32.65-999 ?-999 ?-999 ? O2 IPA A 201 mTHR~A 89 -54.01 46.55 38.94 -54.08 46.37 39.92 -55.72 47.10 37.26 -55.73 47.20 36.04 -54.88 45.99 37.91 -55.80 44.90 38.47 2 0 35.53-999 ?-999 ?-999 ? O2 IPA A 201 mPHE~A 90 -56.40 47.89 38.08 -56.27 47.67 39.04 -56.48 49.99 36.78 -57.08 50.64 35.92 -57.25 48.98 37.62 -57.90 49.73 38.79 3 0 37.55-999 ?-999 ?-999 ? O2 IPA A 201 mALA~A 91 -55.18 50.13 36.99 -54.78 49.60 37.74 -54.24 50.42 34.73 -54.33 51.10 33.70 -54.44 51.05 36.11 -53.11 51.44 36.71 2 0 37.32-999 ?-999 ?-999 ? O2 IPA A 201 mGLU~A 92 -53.96 49.12 34.71 -53.92 48.70 35.61 -55.05 48.17 32.75 -55.09 47.79 31.58 -53.72 48.39 33.47 -53.04 47.05 33.71 2 0 38.67-999 ?-999 ?-999 ? O2 IPA A 201 mSER~A 93 -56.15 48.41 33.46 -55.99 48.68 34.41 -57.97 49.64 32.36 -58.95 49.73 31.63 -57.47 48.28 32.84 -58.48 47.67 33.81 2 0 41.30-999 ?-999 ?-999 ? O2 IPA A 201 mTHR~A 94 -57.28 50.70 32.81 -56.43 50.48 33.27 -56.83 52.95 31.83 -57.27 54.00 31.36 -57.78 52.05 32.61 -58.05 52.70 33.99 2 0 42.22-999 ?-999 ?-999 ? O2 IPA A 201 mILE~A 95 -55.56 52.59 31.71 -55.37 51.65 31.98 -53.91 53.04 29.94 -53.16 52.07 29.93 -54.56 53.54 31.22 -53.51 53.80 32.32 3 0 41.87-999 ?-999 ?-999 ? O2 IPA A 201 mLYS.A 96 -54.21 53.71 28.82 -54.74 54.55 28.95 -52.34 53.53 27.20 -51.63 52.72 26.60 -53.79 53.21 27.52 -54.68 53.78 26.40 2 0 44.53-999 ?-999 ?-999 ? O2 IPA A 201 mASN~A 97 -51.85 54.70 27.59 -52.47 55.31 28.07 -49.53 54.14 28.16 -49.52 54.33 29.38 -50.44 54.97 27.27 -50.15 56.47 27.42 2 0 43.68-999 ?-999 ?-999 ? O2 IPA A 201 mGLU~A 98 -48.78 53.24 27.55 -48.92 53.26 26.56 -46.84 53.03 29.06 -46.48 52.57 30.15 -47.87 52.32 28.20 -47.19 51.43 27.15 2 0 41.25-999 ?-999 ?-999 ? O2 IPA A 201 mLEU~A 99 -46.32 54.18 28.62 -46.65 54.49 27.72 -46.01 55.54 30.65 -45.49 55.55 31.77 -45.35 54.89 29.44 -44.62 55.92 28.59 3 0 39.88-999 ?-999 ?-999 ? O2 IPA A 201 mTHR~A 100 -47.19 56.11 30.45 -47.49 56.12 29.49 -48.30 55.56 32.54 -48.48 55.79 33.74 -47.95 56.67 31.55 -49.24 57.36 31.06 2 0 39.45-999 ?-999 ?-999 ? O2 IPA A 201 mLEU~A 101 -48.42 54.33 32.03 -48.20 54.23 31.07 -47.68 52.86 33.81 -47.85 52.48 34.97 -48.87 53.24 32.92 -49.44 52.08 32.14 3 0 37.65-999 ?-999 ?-999 ? O2 IPA A 201 mGLY~A 102 -46.50 52.99 33.21 -46.56 53.21 32.24 -45.15 53.81 35.06 -44.70 53.45 36.15 -45.25 52.82 33.92-999.99-999.99-999.99 1 0 35.25-999 ?-999 ?-999 ? O2 IPA A 201 mGLU~A 103 -45.58 55.05 34.82 -45.89 55.21 33.89 -46.26 55.55 37.13 -45.77 55.72 38.24 -45.57 56.07 35.86 -46.29 57.35 35.43 2 0 34.62-999 ?-999 ?-999 ? C3 IPA A 201 mPHE~A 104 -47.41 54.93 36.91 -47.61 54.77 35.94 -47.80 53.21 38.62 -47.89 53.03 39.83 -48.28 54.52 38.00 -49.73 54.39 37.52 3 0 33.43-999 ?-999 ?-999 ? O2 IPA A 201 mVAL~A 105 -47.28 52.32 37.79 -47.26 52.59 36.83 -45.53 51.28 39.13 -45.34 50.67 40.19 -46.78 51.04 38.30 -46.55 50.07 37.13 3 0 31.55-999 ?-999 ?-999 ? O2 IPA A 201 mALA~A 106 -44.66 52.18 38.69 -44.88 52.58 37.80 -43.84 53.25 40.78 -43.25 52.99 41.83 -43.49 52.53 39.48 -42.55 53.39 38.65 2 0 29.57-999 ?-999 ?-999 ? O2 IPA A 201 mGLU~A 107 -44.80 54.17 40.74 -45.22 54.31 39.85 -45.76 53.94 43.00 -45.44 54.01 44.18 -45.18 54.89 41.96 -46.19 55.99 41.66 2 0 28.91-999 ?-999 ?-999 ? O2 IPA A 201 mILE~A 108 -46.64 53.07 42.51 -46.74 53.10 41.52 -46.46 51.19 44.09 -46.59 50.95 45.29 -47.38 52.16 43.37 -48.41 51.37 42.54 3 0 27.89-999 ?-999 ?-999 ? O2 IPA A 201 mSER~A 109 -45.51 50.61 43.36 -45.47 50.90 42.41 -43.56 50.28 44.84 -43.18 49.72 45.87 -44.63 49.62 43.97 -44.01 48.76 42.86 2 0 25.36-999 ?-999 ?-999 ? O2 IPA A 201 mASP~A 110 -43.08 51.45 44.45 -43.47 51.76 43.58 -42.69 52.68 46.54 -41.98 52.78 47.53 -42.10 52.21 45.21 -41.61 53.45 44.46 2 0 23.96-999 ?-999 ?-999 ? O2 IPA A 201 mASN~A 111 -43.99 52.96 46.56 -44.49 52.87 45.69 -44.90 52.17 48.69 -44.95 52.29 49.92 -44.59 53.38 47.82 -45.85 54.22 47.59 2 0 23.38-999 ?-999 ?-999 ? O2 IPA A 201 mPHE~A 112 -45.10 51.02 48.04 -45.13 51.11 47.05 -43.94 49.40 49.42 -43.88 49.08 50.60 -45.28 49.76 48.75 -45.75 48.62 47.85 3 0 21.81-999 ?-999 ?-999 ? O2 IPA A 201 mASN~A 113 -42.87 49.49 48.63 -43.03 49.80 47.69 -41.22 49.98 50.39 -40.70 49.46 51.37 -41.57 49.11 49.17 -40.46 49.24 48.14 2 0 19.39-999 ?-999 ?-999 ? O2 IPA A 201 mASN~A 114 -41.51 51.27 50.30 -42.04 51.50 49.48 -42.00 52.29 52.51 -41.53 52.45 53.66 -41.11 52.26 51.29 -41.08 53.64 50.62 2 0 18.58-999 ?-999 ?-999 ? O2 IPA A 201 mPHE~A 115 -43.30 52.14 52.28 -43.58 52.04 51.33 -44.01 50.90 54.28 -44.02 50.96 55.51 -44.21 52.15 53.43 -45.64 52.25 52.90 3 0 18.64-999 ?-999 ?-999 ? O2 IPA A 201 mTHR~A 116 -43.82 49.74 53.64 -43.77 49.79 52.64 -42.33 48.45 55.10 -42.28 48.13 56.29 -43.69 48.52 54.41 -43.86 47.23 53.58 2 0 16.32-999 ?-999 ?-999 ? O2 IPA A 201 mCYH~A 117 -41.29 48.76 54.34 -41.52 49.01 53.40 -39.74 49.72 56.02 -39.00 49.46 56.97 -39.93 48.73 54.88 -38.92 48.99 53.75 2 0 13.80-999 ?-999 ?-999 ? O2 IPA A 201 mASP~A 118 -40.42 50.87 56.00 -40.97 51.03 55.18 -41.06 51.24 58.32 -40.68 51.43 59.47 -40.30 51.79 57.12 -40.84 53.18 56.79 2 0 13.81-999 ?-999 ?-999 ? O2 IPA A 201 mGLU~A 119 -42.18 50.54 58.08 -42.45 50.39 57.13 -42.10 48.90 59.92 -42.11 48.79 61.15 -42.87 50.05 59.28 -44.31 49.64 58.99 2 0 13.39-999 ?-999 ?-999 ? O2 IPA A 201 mVAL~A 120 -41.45 48.06 59.13 -41.59 48.22 58.16 -39.42 47.58 60.46 -39.03 47.05 61.50 -40.60 47.00 59.67 -40.03 46.08 58.58 3 0 10.29-999 ?-999 ?-999 ? O2 IPA A 201 mALA~A 121 -38.81 48.67 60.01 -39.18 49.00 59.14 -38.18 49.93 62.05 -37.52 49.97 63.08 -37.72 49.31 60.74 -37.07 50.39 59.89 2 0 8.78-999 ?-999 ?-999 ? O2 IPA A 201 mARG~A 122 -39.40 50.46 62.03 -39.90 50.41 61.16 -40.11 49.95 64.31 -39.76 50.06 65.48 -39.91 51.04 63.26 -41.20 51.78 62.91 2 0 10.31-999 ?-999 ?-999 ? O2 IPA A 201 mILE~A 123 -40.72 48.85 63.86 -40.98 48.87 62.90 -39.65 47.11 65.16 -39.52 46.72 66.32 -40.99 47.73 64.75 -41.89 46.65 64.14 3 0 9.04-999 ?-999 ?-999 ? O2 IPA A 201 mSER~A 124 -38.72 47.04 64.21 -38.99 47.37 63.30 -36.71 47.33 65.63 -36.16 46.76 66.58 -37.41 46.50 64.54 -36.51 46.45 63.31 2 0 -5.37-999 ?-999 ?-999 ? O2 IPA A 201s mASP~A 125 -36.73 48.64 65.50 -37.15 48.95 64.65 -36.89 49.37 67.86 -36.26 49.35 68.91 -36.19 49.55 66.51 -36.34 51.00 66.04 2 0 6.35-999 ?-999 ?-999 ? C3 IPA A 201 mLEU~A 126 -38.21 49.24 67.88 -38.67 49.29 66.99 -38.46 47.72 69.82 -38.25 47.65 71.02 -38.89 49.02 69.15 -40.40 49.03 68.93 3 0 8.62-999 ?-999 ?-999 ? O2 IPA A 201 mVAL~A 127 -38.33 46.65 69.04 -38.46 46.78 68.06 -36.60 45.38 70.24 -36.35 44.85 71.32 -38.03 45.37 69.69 -38.23 44.20 68.72 3 0 6.71-999 ?-999 ?-999 ? O2 IPA A 201 mALA~A 128 -35.72 46.01 69.48 -36.07 46.36 68.61 -34.26 46.98 71.20 -33.37 46.73 72.01 -34.35 46.17 69.90 -33.51 46.84 68.82 2 0 4.65-999 ?-999 ?-999 ? C2 IPA A 201 mSER~A 129 -35.16 47.94 71.40 -35.84 48.06 70.68 -35.48 47.98 73.89 -35.39 48.61 74.96 -35.10 48.73 72.63 -36.04 49.95 72.49 2 0 8.22-999 ?-999 ?-999 ? C2 IPA A 201 mTYR~A 130 -35.88 46.71 73.85 -36.03 46.36 72.92 -34.79 45.49 75.75 -34.73 44.94 76.86 -36.09 45.91 75.07 -36.93 44.66 74.75 3 0 9.79-999 ?-999 ?-999 ? C2 IPA A 201 mLEU~A 131 -33.66 45.72 75.10 -33.80 45.86 74.12 -32.01 47.25 75.81 -31.51 47.82 74.85 -32.35 45.76 75.73 -31.27 44.99 74.97 3 0 9.41-999 ?-999 ?-999 ? C2 IPA A 201 mPRO~A 132 -32.37 47.89 76.92 -32.61 47.31 77.70 -30.95 49.87 77.00 -30.22 49.62 77.94 -32.39 49.35 76.92 -33.18 49.69 78.18 3 0 11.58-999 ?-999 ?-999 ? C2 IPA A 201 mARG~A 133 -30.54 50.59 75.97 -31.22 50.75 75.26 -28.88 51.95 77.17 -27.74 52.01 77.64 -29.17 51.10 75.95 -28.92 51.93 74.69 2 0 11.83-999 ?-999 ?-999 ? C3 IPA A 201 mGLU~A 134 -29.89 52.62 77.71 -30.81 52.46 77.35 -29.28 52.85 80.13 -28.85 53.58 81.04 -29.53 53.54 78.79 -30.63 54.60 78.92 2 0 15.43-999 ?-999 ?-999 ? C3 IPA A 201 mTYR~A 135 -29.48 51.55 80.29 -29.79 51.11 79.45 -28.19 49.75 81.39 -28.02 48.87 82.25 -29.29 50.80 81.53 -30.61 50.14 82.01 3 0 16.53-999 ?-999 ?-999 ? C2 IPA A 201 mLEU~A 136 -27.44 49.84 80.31 -27.71 50.58 79.69 -25.09 49.33 80.85 -24.67 50.49 80.72 -26.32 48.93 80.04 -25.95 48.95 78.56 3 0 15.13-999 ?-999 ?-999 ? C1 IPA A 201 mPRO.A 137 -24.50 48.43 81.62 -24.97 47.54 81.63 -22.15 49.22 81.49 -22.01 48.83 80.33 -23.29 48.74 82.39 -22.90 47.40 83.03 3 0 18.19-999 ?-999 ?-999 ? C1 IPA A 201 mPRO.A 138 -21.27 50.06 82.04 -21.38 50.19 83.03 -19.22 49.75 80.68 -18.48 50.04 79.75 -20.26 50.73 81.23 -19.60 51.71 82.20 3 0 19.35-999 ?-999 ?-999 ? C1 IPA A 201 mPHE.A 139 -19.15 48.56 81.25 -19.81 48.40 81.99 -18.73 46.63 79.77 -18.12 45.62 79.44 -18.17 47.58 80.81 -17.67 46.79 82.03 3 0 19.34-999 ?-999 ?-999 ? C1 IPA A 201 mILE.A 140 -19.91 46.90 79.21 -20.35 47.75 79.48 -20.03 46.21 76.82 -20.15 47.33 76.34 -20.43 45.90 78.25 -21.96 45.83 78.44 3 0 15.68-999 ?-999 ?-999 ? C1 IPA A 201 mASP~A 141 -19.53 45.21 76.10 -19.47 44.34 76.57 -20.19 44.88 73.76 -21.16 44.28 74.22 -19.12 45.42 74.72 -17.79 44.73 74.42 2 0 14.22-999 ?-999 ?-999 ? C1 IPA A 201 mGLY~A 142 -19.94 45.09 72.47 -19.09 45.59 72.32 -21.01 43.15 71.44 -22.00 42.62 70.95 -20.79 44.65 71.39-999.99-999.99-999.99 1 0 11.01-999 ?-999 ?-999 ? C1 IPA A 201 mASN~A 143 -20.08 42.42 72.05 -19.34 42.91 72.49 -21.24 40.52 73.07 -22.16 39.76 72.76 -20.24 40.97 72.00 -18.91 40.27 72.18 2 0 11.98-999 ?-999 ?-999 ? C1 IPA A 201 mMETA 144 -21.06 40.99 74.29 -20.23 41.55 74.39 -23.36 41.31 75.00 -24.37 40.73 75.38 -22.00 40.71 75.36 -21.52 41.21 76.72 2 0 12.60-999 ?-999 ?-999 ? C1 IPA A 201 mMETA 145 -23.43 42.43 74.27 -22.56 42.88 74.05 -25.37 41.87 72.91 -26.57 41.57 72.99 -24.75 42.90 73.85 -24.72 44.26 73.16 2 0 9.34-999 ?-999 ?-999 ? C1 IPA A 201 mGLY~A 146 -24.54 41.30 72.04 -23.60 41.64 72.09 -25.65 39.12 71.83 -26.77 38.71 71.50 -24.98 40.27 71.11-999.99-999.99-999.99 1 0 7.91-999 ?-999 ?-999 ? C1 IPA A 201 mVAL~A 147 -24.96 38.60 72.85 -24.06 39.01 73.01 -26.82 37.89 74.34 -27.76 37.09 74.39 -25.53 37.50 73.63 -24.47 37.02 74.64 3 0 10.53-999 ?-999 ?-999 ? C1 IPA A 201 mALA~A 148 -26.89 39.10 74.90 -26.04 39.62 74.81 -29.20 39.70 74.55 -30.33 39.33 74.85 -28.08 39.61 75.58 -27.85 40.97 76.23 2 0 10.09-999 ?-999 ?-999 ? C1 IPA A 201 mPHE~A 149 -28.89 40.15 73.34 -27.95 40.46 73.22 -30.47 38.76 72.07 -31.65 38.50 71.85 -29.91 40.16 72.29 -29.35 40.70 70.99 3 0 6.61-999 ?-999 ?-999 ? C1 IPA A 201 mGLN~A 150 -29.54 37.79 72.15 -28.61 38.07 72.38 -30.80 35.94 73.08 -31.86 35.33 72.92 -30.00 36.42 71.89 -28.81 35.51 71.57 2 0 8.82-999 ?-999 ?-999 ? C1 IPA A 201 mILE~A 151 -30.33 36.20 74.30 -29.49 36.74 74.35 -32.45 36.33 75.58 -33.40 35.71 76.06 -31.09 35.67 75.44 -30.34 35.84 76.77 3 0 11.79-999 ?-999 ?-999 ? C1 IPA A 201 mLEU~A 152 -32.57 37.59 75.17 -31.75 38.01 74.79 -34.84 37.97 74.18 -35.97 38.47 74.20 -33.86 38.27 75.30 -33.63 39.79 75.39 3 0 10.62-999 ?-999 ?-999 ? C1 IPA A 201 mGLY~A 153 -34.46 37.15 73.20 -33.52 36.81 73.24 -35.38 37.78 70.99 -36.10 37.62 70.00 -35.43 36.84 72.17-999.99-999.99-999.99 1 0 9.89-999 ?-999 ?-999 ? C1 IPA A 201 mILE~A 154 -34.49 38.78 71.10 -33.87 38.73 71.88 -33.82 39.35 68.80 -34.29 39.55 67.67 -34.47 39.84 70.08 -33.79 41.10 70.64 3 0 6.24-999 ?-999 ?-999 ? O2 IPA A 201 mASP~A 155 -32.71 38.65 68.98 -32.42 38.54 69.93 -32.91 37.22 67.00 -32.90 37.32 65.77 -31.99 38.08 67.85 -30.78 37.29 68.36 2 0 5.68-999 ?-999 ?-999 ? C1 IPA A 201 mASP~A 156 -33.71 36.39 67.67 -33.64 36.45 68.66 -35.73 36.21 66.27 -36.23 35.79 65.22 -34.59 35.47 66.97 -35.16 34.42 67.93 2 0 8.76-999 ?-999 ?-999 ? O2 IPA A 201 mPHE~A 157 -36.15 37.33 66.86 -35.72 37.54 67.74 -36.57 38.76 64.94 -37.29 38.81 63.94 -37.17 38.16 66.21 -37.69 39.24 67.16 3 0 7.26-999 ?-999 ?-999 ? O2 IPA A 201 mGLY~A 158 -35.32 39.20 64.99 -34.91 39.08 65.90 -34.64 38.82 62.69 -35.02 39.22 61.59 -34.59 39.78 63.87-999.99-999.99-999.99 1 0 4.88-999 ?-999 ?-999 ? O2 IPA A 201 mLYS~A 159 -34.28 37.55 62.91 -33.94 37.38 63.83 -35.79 36.55 61.26 -36.02 36.60 60.05 -34.40 36.53 61.87 -34.17 35.11 62.40 2 0 8.50-999 ?-999 ?-999 ? O2 IPA A 201 mLYS~A 160 -36.79 36.51 62.15 -36.55 36.51 63.12 -38.44 37.75 60.84 -39.17 37.74 59.84 -38.15 36.47 61.60 -39.15 36.19 62.71 2 0 10.06-999 ?-999 ?-999 ? O2 IPA A 201 mLEU~A 161 -37.87 38.87 61.29 -37.30 38.78 62.10 -37.41 40.06 59.21 -37.92 40.62 58.24 -38.10 40.12 60.57 -37.59 41.32 61.35 3 0 8.29-999 ?-999 ?-999 ? O2 IPA A 201 mASN~A 162 -36.26 39.39 59.15 -35.95 39.00 60.02 -36.36 38.50 56.84 -36.32 38.88 55.67 -35.54 39.25 57.89 -34.21 38.52 58.07 2 0 9.51-999 ?-999 ?-999 ? O2 IPA A 201 mGLU~A 163 -37.08 37.46 57.22 -36.97 37.22 58.19 -39.06 37.63 55.74 -39.43 37.54 54.57 -37.95 36.74 56.29 -38.60 35.54 56.97 2 0 12.91-999 ?-999 ?-999 ? O2 IPA A 201 mILE~A 164 -39.59 38.51 56.59 -39.24 38.46 57.53 -40.04 40.46 55.15 -40.64 40.73 54.11 -40.61 39.45 56.14 -41.25 40.20 57.32 3 0 13.12-999 ?-999 ?-999 ? O2 IPA A 201 mVAL~A 165 -38.88 41.03 55.43 -38.48 40.78 56.32 -38.02 41.23 53.15 -38.05 41.82 52.07 -38.26 41.95 54.48 -36.96 42.51 55.05 3 0 12.62-999 ?-999 ?-999 ? O2 IPA A 201 mGLN~A 166 -37.78 39.93 53.26 -37.81 39.57 54.19 -38.73 38.96 51.23 -38.67 38.97 50.00 -37.47 39.13 52.08 -36.89 37.76 52.44 2 0 15.17-999 ?-999 ?-999 ? O2 IPA A 201 mASP~A 167 -39.86 38.80 51.92 -39.76 38.79 52.91 -41.60 40.00 50.61 -42.24 39.99 49.55 -41.13 38.67 51.21 -42.18 38.10 52.14 2 0 17.51-999 ?-999 ?-999 ? O2 IPA A 201 mILE~A 168 -41.32 41.11 51.27 -40.89 40.94 52.16 -40.89 42.65 49.43 -41.49 43.16 48.49 -41.60 42.46 50.77 -41.15 43.54 51.76 3 0 17.37-999 ?-999 ?-999 ? O2 IPA A 201 mGLY~A 169 -39.63 42.20 49.40 -39.32 41.84 50.28 -39.34 41.39 47.09 -39.29 41.78 45.91 -38.77 42.21 48.23-999.99-999.99-999.99 1 0 18.53-999 ?-999 ?-999 ? O2 IPA A 201 mTHR~A 170 -39.92 40.24 47.41 -39.84 39.99 48.38 -41.94 40.00 45.98 -42.38 39.82 44.84 -40.60 39.43 46.41 -40.86 38.01 46.96 2 0 21.28-999 ?-999 ?-999 ? O2 IPA A 201 mLYS~A 171 -42.59 40.70 46.90 -42.16 40.77 47.80 -43.63 42.55 45.72 -44.41 42.93 44.85 -43.88 41.30 46.55 -44.71 41.58 47.80 2 0 22.27-999 ?-999 ?-999 ? O2 IPA A 201 mTYR~A 172 -42.50 43.19 46.00 -41.98 42.82 46.78 -41.82 43.91 43.78 -42.23 44.60 42.85 -42.07 44.35 45.22 -40.81 45.00 45.79 3 0 22.47-999 ?-999 ?-999 ? O2 IPA A 201 mILE~A 173 -41.12 42.79 43.64 -40.79 42.39 44.50 -42.18 42.12 41.56 -42.37 42.70 40.50 -40.87 42.21 42.32 -40.26 40.81 42.42 3 0 24.78-999 ?-999 ?-999 ? O2 IPA A 201 mILE~A 174 -43.10 41.39 42.17 -42.82 41.01 43.05 -45.08 42.49 41.19 -45.44 42.68 40.03 -44.42 41.18 41.58 -45.32 40.38 42.54 3 0 26.90-999 ?-999 ?-999 ? O2 IPA A 201 mLEU~A 175 -45.23 43.41 42.13 -44.79 43.17 43.00 -45.31 45.55 40.89 -45.95 46.39 40.26 -45.97 44.64 41.91 -46.10 45.40 43.24 3 0 27.18-999 ?-999 ?-999 ? O2 IPA A 201 mSER~A 176 -43.99 45.41 40.71 -43.55 44.65 41.19 -43.19 45.90 38.40 -42.66 46.67 37.59 -43.33 46.38 39.84 -41.94 46.68 40.41 2 0 28.01-999 ?-999 ?-999 ? O2 IPA A 201 mLYS~A 177 -43.64 44.69 38.10 -44.14 44.27 38.87 -43.60 44.94 35.62 -44.70 45.32 35.25 -43.47 44.01 36.83 -44.48 42.86 36.67 2 0 30.76-999 ?-999 ?-999 ? O2 IPA A 201 mASN.A 178 -42.46 45.27 35.03 -41.66 44.84 35.46 -43.47 45.94 32.87 -44.20 44.93 32.91 -42.35 46.16 33.89 -40.97 45.97 33.22 2 0 33.27-999 ?-999 ?-999 ? O2 IPA A 201 mLYS.A 179 -43.62 46.91 31.97 -42.97 47.65 32.11 -43.98 46.48 29.56 -43.29 47.29 28.89 -44.59 46.93 30.89 -45.17 48.36 30.72 2 0 36.86-999 ?-999 ?-999 ? O2 IPA A 201