HEADER UNKNOWN FUNCTION 09-NOV-07 3BB5 COMPND STRESS RESPONSIVE ALPHA-BETA PROTEIN; COMPND 3 CHAIN: A, B, C, D, E, F; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: JANNASCHIA SP.; SOURCE 3 ORGANISM_TAXID: 290400; SOURCE 4 STRAIN: CCS1; SOURCE 5 GENE: YP_511867.1, JANN_3925; 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 1 8 HET MSE A 7 8 HET MSE A 16 8 HET MSE A 20 8 HET MSE A 23 8 HET MSE A 83 8 HET MSE B 1 8 HET MSE B 7 8 HET MSE B 16 8 HET MSE B 20 8 HET MSE B 23 8 HET MSE B 83 8 HET MSE C 1 8 HET MSE C 7 8 HET MSE C 16 8 HET MSE C 20 8 HET MSE C 23 8 HET MSE C 83 8 HET MSE D 1 8 HET MSE D 7 8 HET MSE D 16 8 HET MSE D 20 8 HET MSE D 23 8 HET MSE D 83 8 HET MSE E 1 8 HET MSE E 7 8 HET MSE E 16 8 HET MSE E 20 8 HET MSE E 23 8 HET MSE E 83 8 HET MSE F 1 8 HET MSE F 7 8 HET MSE F 16 8 HET MSE F 20 8 HET MSE F 23 8 HET MSE F 83 8 HET EDO A 103 4 HET CIT B 103 13 HET EDO C 103 4 HET CIT C 104 13 HET CIT D 103 13 HET EDO E 103 4 HET CIT E 104 13 HET EDO F 103 4 HET CIT F 104 13 SITE 1 AC1 5 ASP C 17 ARG C 18 GLU E 11 ARG E 89 SITE 1 AC2 3 HIS A 4 TYR A 71 HIS A 77 SITE 1 AC3 5 ARG A 79 PHE E 39 ARG E 40 HIS E 41 SITE 1 AC4 4 SER F 51 GLU F 52 ARG F 53 HOH F 118 SITE 1 AC5 7 GLU C 48 LYS C 50 HIS D 4 TYR D 71 SITE 1 AC6 11 ARG C 79 HIS E 4 VAL E 6 TYR E 71 SITE 1 AC7 8 GLU E 48 LYS E 50 HIS F 4 TYR F 71 SITE 1 AC8 9 GLU A 48 LYS A 50 HIS B 4 VAL B 6 SITE 1 AC9 9 HIS C 4 TYR C 71 HIS C 77 GLY C 81 mGLY.A 0 -28.61 -89.49 -10.64 -29.52 -89.89 -10.72 -26.75 -88.20 -11.81 -26.97 -88.71 -12.92 -27.24 -88.88 -10.52-999.99-999.99-999.99 1 0 18.58-999 ?-999 ?-999 ? O2 EDO A 103 mMETA 1 -26.06 -87.06 -11.63 -25.84 -86.91 -10.67 -24.32 -86.48 -13.29 -23.40 -86.72 -12.54 -25.67 -86.13 -12.70 -25.58 -84.72 -12.11 2 0 16.07-999 ?-999 ?-999 ? O2 EDO A 103 mLEU.A 2 -24.20 -86.44 -14.61 -24.98 -86.03 -15.09 -22.29 -85.90 -16.10 -22.87 -85.23 -16.94 -23.02 -86.96 -15.29 -23.40 -88.14 -16.22 3 0 12.62-999 ?-999 ?-999 ? O2 EDO A 103 mTYR.A 3 -20.99 -85.79 -15.87 -20.67 -86.37 -15.12 -19.34 -85.79 -17.56 -18.52 -86.56 -17.12 -20.13 -84.89 -16.63 -19.18 -84.12 -15.70 3 0 11.17-999 ?-999 ?-999 ? O2 EDO A 103 mHIS.A 4 -19.63 -85.68 -18.85 -20.30 -84.95 -19.01 -17.96 -85.68 -20.57 -18.25 -84.71 -21.22 -19.06 -86.50 -19.94 -20.19 -86.78 -20.95 3 0 -7.51-999 ?-999 ?-999 ? O2 EDO A 103s mLEU.A 5 -16.70 -86.06 -20.34 -16.62 -86.89 -19.79 -14.86 -86.15 -21.90 -14.55 -87.32 -21.70 -15.56 -85.33 -20.83 -14.57 -85.01 -19.69 3 0 7.91-999 ?-999 ?-999 ? O2 EDO A 103 mVAL.A 6 -14.61 -85.51 -23.04 -14.86 -84.54 -23.02 -12.78 -85.40 -24.61 -12.89 -84.23 -24.98 -14.03 -86.18 -24.20 -15.06 -86.25 -25.39 3 0 6.16-999 ?-999 ?-999 ? C1 EDO A 103 mMETA 7 -11.60 -86.04 -24.47 -11.70 -86.95 -24.07 -9.77 -86.08 -26.15 -9.76 -87.30 -26.31 -10.31 -85.46 -24.86 -9.29 -85.61 -23.73 2 0 8.75-999 ?-999 ?-999 ? C1 EDO A 103 mLEU.A 8 -9.34 -85.24 -27.08 -9.20 -84.31 -26.76 -7.65 -85.56 -28.75 -7.04 -84.62 -28.31 -9.11 -85.68 -28.45 -9.91 -84.84 -29.44 3 0 9.02-999 ?-999 ?-999 ? C1 EDO A 103 mGLU.A 9 -7.14 -86.53 -29.52 -7.82 -87.23 -29.72 -5.78 -86.49 -31.58 -5.80 -87.51 -32.28 -5.76 -86.60 -30.02 -5.19 -87.96 -29.60 2 0 12.02-999 ?-999 ?-999 ? C1 EDO A 103 mPRO.A 10 -5.80 -85.25 -32.13 -5.77 -84.49 -31.48 -4.73 -85.77 -34.34 -3.61 -85.80 -33.83 -5.87 -85.08 -33.60 -5.80 -83.56 -33.80 3 0 13.35-999 ?-999 ?-999 ? C1 EDO A 103 mGLU.A 11 -5.02 -86.32 -35.52 -5.98 -86.24 -35.79 -4.30 -86.74 -37.82 -5.39 -87.07 -38.30 -3.99 -86.98 -36.35 -3.90 -88.50 -36.06 2 0 15.76-999 ?-999 ?-999 ? C1 EDO A 103 mGLY.A 12 -3.33 -86.16 -38.53 -2.56 -85.85 -37.98 -3.83 -84.63 -40.49 -4.22 -83.75 -39.71 -3.42 -86.00 -39.98-999.99-999.99-999.99 1 0 18.49-999 ?-999 ?-999 ? C1 EDO A 103 mGLU.A 13 -3.73 -84.47 -41.81 -3.36 -85.27 -42.28 -5.61 -83.02 -42.35 -6.41 -83.97 -42.45 -4.10 -83.25 -42.53 -3.73 -83.33 -44.03 2 0 20.40-999 ?-999 ?-999 ? C1 EDO A 103 mGLY~A 14 -5.95 -81.77 -42.04 -5.18 -81.14 -41.99 -8.05 -82.00 -40.61 -9.26 -82.06 -40.62 -7.33 -81.36 -41.80-999.99-999.99-999.99 1 0 18.08-999 ?-999 ?-999 ? C2 EDO E 103 mALA~A 15 -7.30 -82.50 -39.62 -6.32 -82.42 -39.76 -8.68 -82.07 -37.60 -9.86 -82.26 -37.32 -7.92 -83.12 -38.44 -6.92 -83.81 -37.59 2 0 15.22-999 ?-999 ?-999 ? C1 EDO A 103 mMETA 16 -8.02 -80.98 -37.23 -7.06 -80.96 -37.52 -9.87 -79.24 -37.18 -10.88 -78.90 -36.54 -8.69 -79.91 -36.47 -7.70 -78.82 -36.04 2 0 15.25-999 ?-999 ?-999 ? C1 EDO A 103 mASP~A 17 -9.74 -79.03 -38.48 -8.83 -79.24 -38.84 -12.09 -79.43 -39.17 -13.18 -78.93 -38.98 -10.84 -78.54 -39.29 -10.44 -78.42 -40.78 2 0 15.96-999 ?-999 ?-999 ? C2 EDO E 103 mARG~A 18 -11.90 -80.74 -39.28 -10.95 -81.02 -39.41 -13.60 -81.69 -37.81 -14.81 -81.74 -37.64 -13.02 -81.67 -39.22 -12.56 -83.08 -39.60 2 0 13.00-999 ?-999 ?-999 ? C2 EDO E 103 mILE~A 19 -12.72 -81.64 -36.82 -11.76 -81.65 -37.13 -13.92 -80.35 -35.12 -14.88 -80.41 -34.38 -13.12 -81.59 -35.41 -11.93 -81.67 -34.45 3 0 11.24-999 ?-999 ?-999 ? C2 EDO A 103 mMETA 20 -13.52 -79.23 -35.71 -12.69 -79.32 -36.26 -15.64 -78.00 -36.21 -16.59 -77.45 -35.64 -14.24 -77.97 -35.55 -13.41 -76.77 -36.05 2 0 13.45-999 ?-999 ?-999 ? C2 EDO A 103 mGLU~A 21 -15.78 -78.64 -37.38 -14.92 -78.88 -37.82 -17.95 -79.83 -37.00 -19.16 -79.61 -36.82 -17.13 -78.94 -37.93 -17.06 -79.56 -39.33 2 0 11.09-999 ?-999 ?-999 ? C2 EDO E 103 mALA~A 22 -17.33 -80.86 -36.41 -16.38 -80.97 -36.70 -18.48 -80.94 -34.20 -19.58 -81.14 -33.73 -18.01 -81.73 -35.44 -17.13 -82.87 -35.04 2 0 9.78-999 ?-999 ?-999 ? C2 EDO A 103 mMETA 23 -17.67 -80.01 -33.72 -16.76 -79.98 -34.15 -19.31 -78.22 -32.97 -20.17 -78.08 -32.10 -18.09 -79.12 -32.63 -16.92 -78.25 -32.15 2 0 10.35-999 ?-999 ?-999 ? C2 EDO A 103 mALA~A 24 -19.37 -77.67 -34.19 -18.56 -77.82 -34.75 -21.75 -77.79 -34.78 -22.86 -77.35 -34.49 -20.53 -76.91 -34.66 -20.26 -76.22 -36.01 2 0 12.36-999 ?-999 ?-999 ? C2 EDO E 103 mILE~A 25 -21.55 -79.03 -35.22 -20.61 -79.23 -35.49 -23.22 -80.32 -33.87 -24.43 -80.31 -33.65 -22.65 -80.00 -35.29 -22.24 -81.29 -36.07 3 0 9.43-999 ?-999 ?-999 ? C2 EDO E 103 mLEU~A 26 -22.33 -80.57 -32.92 -21.39 -80.59 -33.25 -23.31 -79.54 -30.79 -24.28 -79.69 -30.05 -22.73 -80.77 -31.52 -21.59 -81.38 -30.76 3 0 9.28-999 ?-999 ?-999 ? O2 EDO A 103 mASP~A 27 -22.79 -78.34 -31.07 -21.96 -78.37 -31.62 -24.89 -76.98 -31.00 -25.74 -76.55 -30.23 -23.42 -77.09 -30.58 -22.67 -75.83 -31.04 2 0 12.35-999 ?-999 ?-999 ? O2 EDO A 103 mGLY~A 28 -25.17 -77.38 -32.24 -24.38 -77.67 -32.78 -27.41 -78.40 -32.10 -28.58 -78.15 -31.88 -26.53 -77.39 -32.75-999.99-999.99-999.99 1 0 12.77-999 ?-999 ?-999 ? C2 EDO E 103 mLEU~A 29 -26.87 -79.58 -31.81 -25.91 -79.67 -32.09 -28.00 -80.35 -29.69 -29.13 -80.60 -29.30 -27.64 -80.62 -31.16 -26.95 -81.99 -31.30 3 0 12.02-999 ?-999 ?-999 ? O2 EDO A 103 mALA~A 30 -27.07 -79.85 -28.89 -26.24 -79.60 -29.39 -28.63 -79.08 -27.00 -29.29 -79.67 -26.14 -27.26 -79.69 -27.43 -26.16 -78.86 -26.86 2 0 11.75-999 ?-999 ?-999 ? O2 EDO A 103 mPRO~A 31 -29.04 -77.92 -27.59 -28.40 -77.54 -28.25 -31.55 -78.11 -27.59 -32.63 -77.77 -27.18 -30.34 -77.28 -27.27 -30.36 -76.03 -28.16 3 0 10.36-999 ?-999 ?-999 ? O4 CIT C 104 mGLU~A 32 -31.37 -79.17 -28.38 -30.41 -79.33 -28.62 -32.60 -81.23 -27.98 -33.52 -82.00 -28.18 -32.45 -80.00 -28.84 -32.23 -80.36 -30.34 2 0 10.28-999 ?-999 ?-999 ? O4 CIT C 104 mLEU~A 33 -31.70 -81.40 -27.02 -31.01 -80.67 -27.00 -31.90 -81.96 -24.69 -31.00 -81.34 -24.16 -31.70 -82.53 -26.07 -30.36 -83.26 -26.08 3 0 12.83-999 ?-999 ?-999 ? O4 CIT C 104 mPRO.A 34 -33.10 -82.11 -24.13 -33.75 -82.67 -24.65 -32.55 -81.97 -21.67 -32.33 -81.19 -20.74 -33.39 -81.48 -22.85 -34.87 -81.80 -22.62 3 0 12.03-999 ?-999 ?-999 ? O4 CIT C 104 mGLY.A 35 -32.13 -83.23 -21.72 -32.44 -83.75 -22.51 -29.82 -83.44 -20.74 -29.09 -83.84 -19.83 -31.28 -83.78 -20.67-999.99-999.99-999.99 1 0 14.47-999 ?-999 ?-999 ? O2 EDO A 103 mLEU^A 36 -29.38 -82.74 -21.81 -30.08 -82.59 -22.50 -28.02 -80.76 -21.60 -28.39 -79.91 -22.42 -27.98 -82.23 -21.95 -27.46 -82.42 -23.38 3 0 11.89-999 ?-999 ?-999 ? O2 EDO A 103 mTHR^A 37 -27.66 -80.44 -20.37 -27.22 -81.18 -19.86 -26.81 -78.10 -20.25 -27.08 -76.89 -20.25 -27.88 -79.13 -19.84 -28.01 -79.22 -18.33 2 0 14.60-999 ?-999 ?-999 ? O2 EDO A 103 mGLU^A 38 -25.62 -78.56 -20.63 -25.53 -79.56 -20.60 -23.51 -78.44 -21.88 -23.16 -79.57 -21.59 -24.54 -77.68 -21.03 -23.89 -77.09 -19.80 2 0 13.35-999 ?-999 ?-999 ? O2 EDO A 103 mPHE^A 39 -23.09 -77.80 -22.97 -23.53 -76.91 -23.10 -21.06 -77.22 -24.14 -21.39 -76.11 -24.47 -22.11 -78.32 -23.90 -22.75 -78.79 -25.20 3 0 10.84-999 ?-999 ?-999 ? O2 EDO A 103 mARG^A 40 -19.81 -77.57 -23.93 -19.70 -78.54 -23.72 -17.47 -77.35 -24.63 -17.22 -78.53 -24.41 -18.68 -76.66 -24.00 -18.29 -76.24 -22.58 2 0 12.00-999 ?-999 ?-999 ? O2 EDO A 103 mHIS^A 41 -16.70 -76.60 -25.42 -16.99 -75.65 -25.48 -14.43 -76.11 -26.25 -14.70 -74.91 -26.33 -15.54 -77.15 -26.11 -15.95 -77.72 -27.47 3 0 11.69-999 ?-999 ?-999 ? O2 EDO A 103 mGLY^A 42 -13.17 -76.57 -26.28 -13.06 -77.55 -26.10 -10.70 -76.26 -26.56 -10.57 -77.43 -26.25 -12.08 -75.65 -26.58-999.99-999.99-999.99 1 0 14.43-999 ?-999 ?-999 ? O2 EDO A 103 mPRO^A 43 -9.68 -75.46 -26.89 -9.91 -74.55 -27.23 -7.99 -76.21 -25.32 -8.42 -75.50 -24.44 -8.32 -75.93 -26.75 -7.47 -74.76 -27.26 3 0 16.30-999 ?-999 ?-999 ? C1 EDO A 103 mASN.A 44 -7.15 -77.21 -25.14 -7.02 -77.78 -25.95 -5.21 -76.61 -23.77 -4.18 -76.88 -24.41 -6.48 -77.47 -23.89 -6.16 -78.97 -23.82 2 0 14.04-999 ?-999 ?-999 ? O6 CIT B 103 mARG.A 45 -5.28 -75.59 -22.90 -6.18 -75.46 -22.49 -3.11 -75.46 -21.72 -1.96 -75.03 -21.62 -4.14 -74.75 -22.60 -4.61 -73.47 -21.91 2 0 13.00-999 ?-999 ?-999 ? O6 CIT B 103 mASP.A 46 -3.52 -76.54 -21.04 -4.51 -76.69 -21.09 -1.47 -76.63 -19.63 -0.29 -76.89 -19.85 -2.59 -77.41 -20.31 -1.95 -78.44 -21.25 2 0 9.86-999 ?-999 ?-999 ? O6 CIT B 103 mPHE.A 47 -1.86 -75.72 -18.75 -2.84 -75.72 -18.56 0.24 -75.50 -17.37 1.33 -74.93 -17.24 -0.90 -74.81 -18.15 -1.65 -73.80 -17.27 3 0 8.94-999 ?-999 ?-999 ? O6 CIT B 103 mGLU.A 48 -0.01 -76.70 -16.87 -0.93 -77.03 -17.08 1.72 -78.56 -16.86 2.53 -79.28 -16.30 0.99 -77.46 -16.08 0.31 -78.12 -14.88 2 0 -6.57-999 ?-999 ?-999 ? O6 CIT B 103s mGLN.A 49 1.40 -78.66 -18.15 0.69 -78.01 -18.42 1.85 -81.07 -18.63 2.79 -81.87 -18.67 2.03 -79.62 -19.08 3.51 -79.28 -19.31 2 0 9.34-999 ?-999 ?-999 ? O6 CIT B 103 mLYS.A 50 0.63 -81.38 -18.19 -0.01 -80.61 -18.23 -0.82 -83.42 -18.53 -1.42 -84.38 -18.06 0.28 -82.73 -17.71 -0.17 -82.70 -16.24 2 0 -7.79-999 ?-999 ?-999 ? O3 CIT B 103s mSER.A 51 -1.07 -82.93 -19.75 -0.55 -82.10 -19.95 -1.68 -83.16 -22.14 -2.59 -82.98 -22.97 -2.00 -83.54 -20.69 -3.42 -83.11 -20.36 2 0 10.73-999 ?-999 ?-999 ? O6 CIT B 103 mGLU.A 52 -0.39 -83.09 -22.46 0.21 -83.39 -21.72 -0.34 -83.45 -24.99 -0.34 -82.96 -26.12 0.10 -82.62 -23.76 1.63 -82.45 -23.73 2 0 13.58-999 ?-999 ?-999 ? O6 CIT B 103 mARG.A 53 -0.77 -84.67 -24.75 -0.69 -84.92 -23.78 -2.67 -85.10 -26.30 -3.04 -85.44 -27.42 -1.32 -85.56 -25.75 -1.49 -86.91 -25.08 2 0 16.08-999 ?-999 ?-999 ? O3 CIT B 103 mTYR.A 54 -3.41 -84.31 -25.52 -2.93 -83.99 -24.71 -4.94 -82.48 -26.04 -5.23 -81.77 -25.08 -4.80 -83.96 -25.86 -5.72 -84.37 -24.73 3 0 13.86-999 ?-999 ?-999 ? C1 EDO A 103 mPRO.A 55 -4.74 -81.99 -27.26 -4.58 -82.65 -28.00 -6.19 -79.94 -27.51 -6.30 -78.72 -27.55 -4.76 -80.56 -27.44 -4.00 -80.38 -28.76 3 0 15.40-999 ?-999 ?-999 ? C1 EDO A 103 mTYR^A 56 -7.25 -80.75 -27.51 -7.01 -81.72 -27.41 -9.61 -81.18 -26.96 -9.43 -82.39 -26.92 -8.63 -80.24 -27.66 -9.01 -80.06 -29.16 3 0 12.66-999 ?-999 ?-999 ? C1 EDO A 103 mGLY^A 57 -10.66 -80.61 -26.36 -10.70 -79.62 -26.42 -12.99 -80.80 -25.53 -13.19 -79.63 -25.89 -11.65 -81.44 -25.69-999.99-999.99-999.99 1 0 10.14-999 ?-999 ?-999 ? C1 EDO A 103 mPHE^A 58 -13.92 -81.58 -25.05 -13.65 -82.53 -24.91 -15.88 -81.70 -23.55 -15.37 -82.68 -23.06 -15.24 -81.05 -24.75 -16.16 -81.03 -25.98 3 0 8.54-999 ?-999 ?-999 ? O2 EDO A 103 mLEU^A 59 -16.95 -81.07 -23.07 -17.20 -80.28 -23.62 -19.20 -81.39 -22.15 -19.70 -80.35 -22.60 -17.69 -81.46 -21.87 -17.38 -80.52 -20.70 3 0 8.75-999 ?-999 ?-999 ? O2 EDO A 103 mCYH^A 60 -19.90 -82.50 -21.90 -19.35 -83.32 -21.79 -21.74 -82.78 -20.37 -21.24 -83.71 -19.78 -21.35 -82.49 -21.79 -22.00 -83.56 -22.66 2 0 8.20-999 ?-999 ?-999 ? O2 EDO A 103 mTHR^A 61 -22.66 -81.98 -19.86 -22.91 -81.19 -20.41 -24.67 -82.81 -18.83 -25.45 -82.19 -19.51 -23.25 -82.29 -18.58 -23.24 -81.08 -17.66 2 0 11.26-999 ?-999 ?-999 ? O2 EDO A 103 mPHE^A 62 -24.94 -84.00 -18.30 -24.17 -84.40 -17.81 -26.95 -84.76 -17.08 -26.33 -84.91 -16.03 -26.25 -84.66 -18.42 -26.09 -86.07 -18.99 3 0 11.86-999 ?-999 ?-999 ? O2 EDO A 103 mTHR.A 63 -28.27 -84.64 -17.14 -28.63 -84.40 -18.04 -28.94 -86.24 -15.40 -28.96 -86.42 -14.20 -29.11 -84.83 -15.99 -30.59 -84.59 -16.37 2 0 15.40-999 ?-999 ?-999 ? O2 EDO A 103 mASP~A 64 -28.78 -87.22 -16.28 -28.69 -86.90 -17.22 -28.28 -89.49 -17.07 -28.05 -89.01 -18.19 -28.73 -88.62 -15.90 -30.10 -89.10 -15.37 2 0 14.84-999 ?-999 ?-999 ? O2 EDO A 103 mLYS~A 65 -28.15 -90.77 -16.78 -28.34 -90.99 -15.82 -28.76 -91.87 -18.93 -28.35 -92.07 -20.06 -27.77 -91.77 -17.76 -27.65 -93.10 -17.04 2 0 13.30-999 ?-999 ?-999 ? O2 EDO A 103 mALA~A 66 -30.06 -91.77 -18.67 -30.31 -91.69 -17.71 -30.67 -90.65 -20.75 -30.74 -90.88 -21.95 -31.02 -91.77 -19.75 -32.50 -91.62 -19.23 2 0 14.47-999 ?-999 ?-999 ? O2 EDO A 103 mALA~A 67 -30.29 -89.47 -20.24 -30.31 -89.45 -19.24 -28.62 -88.64 -21.89 -28.56 -88.32 -23.08 -29.87 -88.33 -21.07 -29.62 -87.09 -20.21 2 0 12.36-999 ?-999 ?-999 ? O2 EDO A 103 mLEU~A 68 -27.61 -89.25 -21.24 -27.77 -89.40 -20.26 -26.66 -90.63 -23.08 -26.07 -90.51 -24.17 -26.37 -89.67 -21.92 -25.35 -90.24 -20.94 3 0 9.08-999 ?-999 ?-999 ? O2 EDO A 103 mASP~A 69 -27.56 -91.57 -22.85 -27.94 -91.54 -21.92 -28.77 -91.96 -25.00 -28.64 -92.39 -26.13 -27.97 -92.56 -23.86 -28.81 -93.65 -23.22 2 0 10.38-999 ?-999 ?-999 ? O2 EDO A 103 mALA~A 70 -29.61 -90.98 -24.69 -29.69 -90.80 -23.71 -29.39 -89.57 -26.66 -29.59 -89.57 -27.85 -30.35 -90.25 -25.71 -31.25 -89.23 -25.08 2 0 11.47-999 ?-999 ?-999 ? O2 EDO A 103 mTYR~A 71 -28.32 -89.01 -26.10 -28.29 -89.11 -25.11 -26.46 -89.31 -27.72 -26.22 -89.06 -28.90 -27.28 -88.35 -26.87 -26.44 -87.53 -25.90 3 0 -8.12-999 ?-999 ?-999 ? O2 EDO A 103s mALA~A 72 -26.05 -90.42 -27.11 -26.31 -90.46 -26.14 -25.95 -91.88 -29.10 -25.26 -91.93 -30.11 -25.31 -91.48 -27.77 -25.23 -92.69 -26.88 2 0 6.98-999 ?-999 ?-999 ? O2 EDO A 103 mVAL~A 73 -27.26 -92.12 -29.08 -27.72 -91.86 -28.23 -28.47 -91.75 -31.21 -28.86 -92.16 -32.28 -27.95 -92.73 -30.19 -29.14 -93.61 -29.71 3 0 10.31-999 ?-999 ?-999 ? O2 EDO A 103 mHIS~A 74 -28.50 -90.46 -30.89 -28.10 -90.23 -30.00 -28.25 -89.45 -33.10 -27.02 -89.43 -33.03 -29.09 -89.50 -31.81 -29.14 -88.11 -31.14 3 0 10.99-999 ?-999 ?-999 ? O2 EDO A 103 mPRO~A 75 -28.91 -89.42 -34.29 -29.91 -89.39 -34.22 -27.15 -88.32 -35.72 -26.10 -88.55 -36.30 -28.17 -89.43 -35.56 -29.26 -89.32 -36.65 3 0 8.27-999 ?-999 ?-999 ? O1 EDO E 103 mTHR~A 76 -27.44 -87.13 -35.22 -28.37 -87.07 -34.85 -25.18 -86.34 -34.47 -24.08 -86.05 -34.93 -26.46 -86.01 -35.22 -27.09 -84.68 -34.67 2 0 7.52-999 ?-999 ?-999 ? C1 EDO E 103 mHIS~A 77 -25.30 -86.99 -33.32 -26.24 -87.21 -33.06 -23.32 -88.52 -33.14 -22.07 -88.57 -33.08 -24.13 -87.33 -32.54 -24.53 -87.65 -31.09 3 0 -7.01-999 ?-999 ?-999 ? C2 EDO A 103s mGLN~A 78 -24.03 -89.50 -33.68 -25.02 -89.42 -33.57 -22.56 -90.07 -35.56 -21.43 -90.53 -35.78 -23.36 -90.58 -34.36 -24.38 -91.66 -34.76 2 0 7.85-999 ?-999 ?-999 ? C2 EDO A 103 mARG~A 79 -23.09 -89.11 -36.30 -24.04 -88.88 -36.08 -21.07 -87.72 -36.85 -19.98 -87.91 -37.34 -22.30 -88.48 -37.36 -23.13 -87.57 -38.22 2 0 -7.27-999 ?-999 ?-999 ? O1 EDO E 103s mALA~A 80 -21.27 -86.85 -35.86 -22.23 -86.77 -35.59 -19.12 -87.03 -34.65 -17.95 -86.79 -34.84 -20.19 -86.09 -35.24 -20.75 -85.14 -34.17 2 0 7.38-999 ?-999 ?-999 ? C2 EDO A 103 mGLY~A 81 -19.56 -88.09 -33.96 -20.55 -88.12 -33.86 -17.79 -89.79 -34.44 -16.58 -90.00 -34.23 -18.67 -89.12 -33.39-999.99-999.99-999.99 1 0 4.93-999 ?-999 ?-999 ? C2 EDO A 103 mGLY~A 82 -18.40 -90.12 -35.58 -19.39 -89.96 -35.58 -16.59 -89.79 -37.27 -15.50 -90.26 -37.62 -17.68 -90.68 -36.72-999.99-999.99-999.99 1 0 8.30-999 ?-999 ?-999 ? O1 EDO A 103 mMETA 83 -16.89 -88.50 -37.33 -17.83 -88.29 -37.05 -14.75 -87.32 -36.82 -13.66 -87.01 -37.24 -15.93 -87.48 -37.76 -16.66 -86.13 -37.89 2 0 9.69-999 ?-999 ?-999 ? C2 EDO A 103 mLEU~A 84 -15.00 -87.50 -35.53 -15.96 -87.73 -35.36 -13.04 -88.54 -34.53 -11.83 -88.37 -34.38 -13.97 -87.36 -34.48 -14.60 -87.29 -33.08 3 0 7.36-999 ?-999 ?-999 ? C1 EDO A 103 mVAL~A 85 -13.61 -89.72 -34.74 -14.61 -89.70 -34.80 -11.97 -90.92 -36.11 -10.85 -91.41 -36.07 -12.84 -90.95 -34.87 -13.78 -92.18 -34.89 3 0 8.01-999 ?-999 ?-999 ? O1 EDO A 103 mALA~A 86 -12.49 -90.36 -37.20 -13.44 -90.07 -37.08 -10.60 -89.15 -38.33 -9.69 -89.15 -39.11 -11.73 -90.20 -38.44 -12.68 -89.83 -39.60 2 0 11.62-999 ?-999 ?-999 ? O1 EDO A 103 mSER~A 87 -10.70 -88.28 -37.33 -11.49 -88.44 -36.74 -8.71 -87.46 -36.02 -7.85 -86.63 -35.76 -9.75 -87.19 -37.11 -10.56 -85.96 -36.69 2 0 11.84-999 ?-999 ?-999 ? C1 EDO A 103 mCYH.A 88 -8.77 -88.62 -35.36 -9.47 -89.26 -35.68 -6.94 -90.03 -34.47 -7.18 -90.90 -35.30 -7.87 -88.88 -34.25 -8.65 -89.11 -32.94 2 0 11.18-999 ?-999 ?-999 ? C1 EDO A 103 mARG.A 89 -5.88 -90.00 -33.66 -5.87 -89.24 -33.02 -5.33 -92.39 -33.38 -5.87 -92.61 -32.31 -4.82 -90.99 -33.71 -3.70 -90.61 -32.75 2 0 13.71-999 ?-999 ?-999 ? C1 EDO A 103 mASN~A 90 -5.14 -93.31 -34.33 -4.63 -92.97 -35.12 -7.12 -94.77 -33.98 -7.59 -95.74 -33.41 -5.62 -94.69 -34.23 -4.88 -95.45 -33.14 2 0 13.84-999 ?-999 ?-999 ? O1 EDO A 103 mGLY~A 91 -7.85 -93.76 -34.44 -7.33 -93.01 -34.85 -9.74 -93.56 -32.94 -9.29 -92.63 -32.26 -9.28 -93.76 -34.35-999.99-999.99-999.99 1 0 10.61-999 ?-999 ?-999 ? O1 EDO A 103 mALA~A 92 -10.62 -94.46 -32.51 -10.80 -95.19 -33.17 -10.23 -94.47 -30.08 -10.47 -93.92 -29.00 -11.26 -94.41 -31.19 -12.27 -95.53 -31.04 2 0 7.76-999 ?-999 ?-999 ? O1 EDO A 103 mASP~A 93 -9.08 -95.11 -30.35 -9.04 -95.54 -31.25 -7.37 -93.78 -29.07 -6.70 -93.62 -28.05 -7.99 -95.16 -29.37 -6.86 -96.12 -29.81 2 0 10.56-999 ?-999 ?-999 ? O1 EDO A 103 mGLY.A 94 -7.57 -92.80 -29.95 -8.06 -93.08 -30.78 -8.12 -90.52 -29.06 -8.01 -89.29 -29.14 -7.09 -91.43 -29.68-999.99-999.99-999.99 1 0 10.50-999 ?-999 ?-999 ? C1 EDO A 103 mILE^A 95 -9.14 -91.13 -28.44 -9.08 -92.13 -28.48 -10.39 -91.02 -26.37 -10.69 -92.21 -26.24 -10.23 -90.43 -27.78 -11.58 -90.61 -28.52 3 0 7.15-999 ?-999 ?-999 ? C1 EDO A 103 mLEU^A 96 -10.14 -90.17 -25.37 -9.80 -89.30 -25.71 -11.70 -89.96 -23.50 -12.03 -88.82 -23.72 -10.33 -90.44 -23.93 -9.29 -89.64 -23.11 3 0 8.27-999 ?-999 ?-999 ? C1 EDO A 103 mVAL^A 97 -12.50 -90.84 -22.89 -12.12 -91.76 -22.78 -13.91 -90.83 -20.94 -13.65 -91.97 -20.56 -13.82 -90.46 -22.44 -14.90 -91.11 -23.28 3 0 6.86-999 ?-999 ?-999 ? C1 EDO A 103 mVAL^A 98 -14.22 -89.82 -20.12 -14.25 -88.95 -20.61 -15.97 -89.65 -18.45 -16.55 -88.81 -19.12 -14.49 -89.93 -18.69 -13.68 -88.86 -17.92 3 0 9.91-999 ?-999 ?-999 ? O2 EDO A 103 mASP^A 99 -16.59 -90.35 -17.52 -16.01 -91.05 -17.10 -18.11 -89.91 -15.68 -18.30 -90.87 -14.95 -18.00 -90.10 -17.19 -18.90 -91.24 -17.66 2 0 10.31-999 ?-999 ?-999 ? O2 EDO A 103 mLEU^A 100 -17.99 -88.68 -15.20 -17.96 -87.95 -15.89 -19.31 -88.35 -13.23 -20.09 -87.61 -13.80 -17.91 -88.48 -13.77 -17.08 -87.25 -13.38 3 0 13.54-999 ?-999 ?-999 ? O2 EDO A 103 mGLU^A 101 -19.62 -89.09 -12.16 -18.90 -89.72 -11.86 -20.69 -88.00 -10.34 -19.98 -88.30 -9.43 -20.91 -88.96 -11.50 -21.47 -90.31 -11.03 2 0 15.86-999 ?-999 ?-999 ? O2 EDO A 103 mVAL^A 102 -21.25 -86.80 -10.45 -21.92 -86.73 -11.19 -22.13 -85.25 -8.73 -23.22 -85.80 -8.93 -20.91 -85.69 -9.55 -20.32 -84.50 -10.30 3 0 16.28-999 ?-999 ?-999 ? O1 CIT B 103 mGLY.B 0 -12.91 -66.75 -22.44 -13.74 -66.66 -22.99 -11.90 -67.76 -20.37 -11.00 -67.87 -19.53 -11.68 -66.89 -21.61-999.99-999.99-999.99 1 0 18.42-999 ?-999 ?-999 ? O2 CIT B 103 mMETB 1 -13.09 -68.37 -20.28 -13.69 -68.19 -21.06 -12.77 -70.58 -19.18 -12.63 -71.20 -20.22 -13.49 -69.23 -19.16 -15.01 -69.44 -19.18 2 0 16.15-999 ?-999 ?-999 ? O2 CIT B 103 mLEU.B 2 -12.32 -71.04 -18.02 -12.65 -70.52 -17.22 -12.05 -73.38 -17.20 -12.43 -73.25 -16.04 -11.43 -72.19 -17.94 -10.11 -71.79 -17.26 3 0 12.59-999 ?-999 ?-999 ? O2 CIT B 103 mTYR.B 3 -12.12 -74.54 -17.86 -11.88 -74.47 -18.83 -11.23 -76.56 -16.87 -10.56 -77.09 -17.77 -12.51 -75.78 -17.21 -13.48 -76.60 -18.07 3 0 11.13-999 ?-999 ?-999 ? O2 CIT B 103 mHIS.B 4 -10.92 -76.62 -15.57 -11.59 -76.14 -14.99 -10.15 -78.68 -14.51 -10.84 -78.80 -13.51 -9.74 -77.29 -15.01 -9.18 -76.43 -13.89 3 0 -7.36-999 ?-999 ?-999 ? O2 CIT B 103s mLEU.B 5 -9.72 -79.70 -15.24 -9.07 -79.44 -15.96 -8.96 -81.90 -14.50 -7.89 -81.93 -15.12 -10.15 -81.08 -15.02 -10.72 -81.65 -16.33 3 0 7.60-999 ?-999 ?-999 ? O2 CIT B 103 mVAL.B 6 -9.14 -82.54 -13.34 -10.03 -82.37 -12.91 -8.57 -84.85 -12.60 -9.56 -85.14 -11.91 -8.11 -83.40 -12.74 -7.65 -82.83 -11.39 3 0 -5.81-999 ?-999 ?-999 ? O7 CIT B 103s mMETB 7 -7.89 -85.76 -13.29 -7.15 -85.37 -13.84 -7.09 -87.93 -12.48 -5.92 -87.69 -12.70 -8.20 -87.20 -13.23 -8.35 -87.80 -14.62 2 0 8.18-999 ?-999 ?-999 ? O7 CIT B 103 mLEU.B 8 -7.47 -88.82 -11.58 -8.43 -89.09 -11.64 -6.36 -90.83 -10.80 -7.32 -91.53 -11.08 -6.56 -89.35 -10.60 -7.11 -89.12 -9.19 3 0 8.44-999 ?-999 ?-999 ? O7 CIT B 103 mGLU.B 9 -5.11 -91.28 -10.64 -4.43 -90.55 -10.59 -4.36 -93.09 -9.11 -3.19 -93.14 -8.81 -4.77 -92.69 -10.54 -3.57 -93.01 -11.41 2 0 10.92-999 ?-999 ?-999 ? O3 CIT B 103 mPRO.B 10 -5.32 -93.41 -8.24 -6.26 -93.42 -8.59 -3.98 -94.93 -6.78 -4.13 -95.90 -7.49 -4.94 -93.72 -6.87 -6.27 -94.04 -6.20 3 0 12.32-999 ?-999 ?-999 ? O3 CIT B 103 mGLU.B 11 -2.98 -94.82 -5.92 -2.98 -93.97 -5.39 -1.80 -96.06 -4.30 -1.40 -95.15 -3.60 -1.99 -95.85 -5.77 -0.66 -95.42 -6.41 2 0 13.92-999 ?-999 ?-999 ? O3 CIT B 103 mGLY.B 12 -2.09 -97.27 -3.84 -2.55 -97.87 -4.49 -2.98 -97.79 -1.62 -4.11 -97.43 -2.00 -1.76 -97.65 -2.49-999.99-999.99-999.99 1 0 16.79-999 ?-999 ?-999 ? O3 CIT B 103 mGLU.B 13 -2.71 -98.36 -0.44 -1.75 -98.63 -0.35 -3.92 -97.25 1.28 -2.94 -96.61 1.73 -3.69 -98.58 0.62 -3.15 -99.55 1.68 2 0 19.23-999 ?-999 ?-999 ? C4 CIT B 103 mGLY~B 14 -5.19 -96.84 1.34 -5.87 -97.46 0.94 -5.46 -94.45 0.95 -5.66 -93.30 1.33 -5.53 -95.57 1.94-999.99-999.99-999.99 1 0 17.66-999 ?-999 ?-999 ? C4 CIT B 103 mALA~B 15 -5.20 -94.75 -0.32 -5.09 -95.73 -0.51 -6.44 -92.94 -1.43 -6.46 -91.73 -1.29 -5.10 -93.70 -1.33 -4.68 -94.25 -2.68 2 0 14.30-999 ?-999 ?-999 ? C4 CIT B 103 mMETB 16 -7.54 -93.66 -1.64 -7.37 -94.64 -1.72 -9.32 -92.32 -0.47 -9.94 -91.25 -0.57 -8.86 -93.05 -1.73 -9.93 -94.07 -2.16 2 0 14.86-999 ?-999 ?-999 ? O7 CIT B 103 mASP~B 17 -9.05 -92.91 0.70 -8.66 -93.83 0.61 -8.70 -90.86 2.03 -9.37 -89.93 2.48 -9.29 -92.27 1.97 -8.70 -93.12 3.11 2 0 16.53-999 ?-999 ?-999 ? C2 CIT B 103 mARG~B 18 -7.45 -90.71 1.58 -7.04 -91.57 1.27 -7.28 -88.47 0.50 -7.21 -87.26 0.66 -6.75 -89.42 1.56 -5.28 -89.60 1.28 2 0 13.44-999 ?-999 ?-999 ? C4 CIT B 103 mILE~B 19 -7.72 -89.04 -0.62 -7.63 -90.04 -0.63 -9.64 -87.70 -1.28 -9.95 -86.57 -1.60 -8.29 -88.30 -1.71 -8.38 -89.22 -3.01 3 0 11.11-999 ?-999 ?-999 ? O1 CIT B 103 mMETB 20 -10.41 -88.43 -0.49 -10.06 -89.33 -0.26 -11.51 -86.82 1.05 -12.31 -85.92 1.15 -11.68 -87.90 -0.01 -12.59 -89.03 0.47 2 0 12.87-999 ?-999 ?-999 ? O1 CIT B 103 mGLU~B 21 -10.47 -86.95 1.86 -10.04 -87.85 1.81 -9.63 -84.62 1.93 -9.95 -83.51 2.33 -10.00 -85.86 2.72 -8.80 -86.34 3.54 2 0 12.96-999 ?-999 ?-999 ? O1 CIT B 103 mALA~B 22 -8.92 -84.80 0.82 -8.72 -85.76 0.63 -9.71 -83.03 -0.69 -9.76 -81.83 -0.84 -8.49 -83.66 -0.03 -7.52 -84.08 -1.05 2 0 9.18-999 ?-999 ?-999 ? O1 CIT B 103 mMETB 23 -10.68 -83.86 -1.07 -10.45 -84.83 -0.95 -12.72 -82.55 -0.65 -13.34 -81.57 -1.06 -11.95 -83.40 -1.62 -12.80 -84.58 -2.08 2 0 9.42-999 ?-999 ?-999 ? O1 CIT B 103 mALA~B 24 -12.70 -82.90 0.64 -12.15 -83.72 0.84 -12.78 -80.77 1.85 -13.48 -79.79 2.07 -13.42 -82.15 1.65 -13.47 -82.92 2.96 2 0 12.24-999 ?-999 ?-999 ? O1 CIT B 103 mILE~B 25 -11.46 -80.72 1.81 -11.04 -81.63 1.73 -11.10 -78.57 0.70 -11.42 -77.41 0.89 -10.70 -79.48 1.87 -9.14 -79.73 1.82 3 0 10.61-999 ?-999 ?-999 ? O1 CIT B 103 mLEU~B 26 -11.09 -79.10 -0.50 -10.79 -80.06 -0.54 -12.98 -77.92 -1.62 -13.31 -76.81 -2.01 -11.50 -78.32 -1.66 -11.11 -79.04 -2.95 3 0 8.15-999 ?-999 ?-999 ? O1 CIT B 103 mASP~B 27 -13.88 -78.78 -1.12 -13.52 -79.70 -0.93 -15.37 -77.13 -0.03 -16.16 -76.25 -0.28 -15.28 -78.34 -0.91 -16.17 -79.43 -0.27 2 0 11.45-999 ?-999 ?-999 ? O1 CIT B 103 mGLY~B 28 -14.65 -77.10 1.07 -14.09 -77.92 1.21 -14.05 -74.67 1.45 -14.44 -73.56 1.81 -14.71 -75.93 1.98-999.99-999.99-999.99 1 0 13.37-999 ?-999 ?-999 ? O1 CIT B 103 mLEU~B 29 -13.06 -74.83 0.57 -12.89 -75.80 0.37 -12.98 -73.04 -1.21 -12.87 -71.81 -1.37 -12.28 -73.72 -0.03 -10.92 -74.23 -0.54 3 0 11.28-999 ?-999 ?-999 ? O1 CIT B 103 mALA~B 30 -13.64 -73.84 -2.06 -13.65 -74.80 -1.77 -15.18 -72.16 -3.08 -15.03 -71.16 -3.78 -14.28 -73.38 -3.29 -15.05 -74.54 -3.99 2 0 10.98-999 ?-999 ?-999 ? O1 CIT B 103 mPRO~B 31 -16.11 -72.22 -2.10 -16.19 -73.12 -1.67 -16.16 -69.78 -1.29 -16.73 -68.71 -1.36 -16.92 -71.06 -1.70 -17.74 -71.58 -0.52 3 0 14.82-999 ?-999 ?-999 ? O1 CIT B 103 mGLU~B 32 -14.90 -69.89 -0.87 -14.55 -70.83 -0.84 -13.37 -68.10 -1.72 -12.70 -67.08 -1.57 -14.11 -68.70 -0.51 -13.04 -68.99 0.59 2 0 15.04-999 ?-999 ?-999 ? O1 CIT B 103 mLEU~B 33 -13.43 -68.76 -2.89 -14.03 -69.56 -2.85 -13.72 -67.91 -5.11 -14.46 -68.74 -5.68 -12.69 -68.35 -4.11 -11.86 -69.50 -4.68 3 0 13.20-999 ?-999 ?-999 ? O1 CIT B 103 mPRO.B 34 -13.86 -66.58 -5.28 -13.17 -66.01 -4.84 -14.90 -66.29 -7.59 -15.92 -66.31 -8.27 -14.99 -66.04 -6.07 -14.99 -64.54 -5.74 3 0 15.98-999 ?-999 ?-999 ? O1 CIT B 103 mGLY.B 35 -13.69 -66.46 -8.13 -12.92 -66.36 -7.50 -13.74 -68.25 -9.82 -13.81 -68.63 -10.98 -13.56 -66.77 -9.53-999.99-999.99-999.99 1 0 14.63-999 ?-999 ?-999 ? O1 CIT B 103 mLEU^B 36 -13.78 -69.07 -8.77 -13.58 -68.62 -7.90 -15.59 -70.69 -8.75 -16.12 -70.81 -7.64 -14.08 -70.50 -8.88 -13.34 -71.27 -7.78 3 0 11.88-999 ?-999 ?-999 ? O1 CIT B 103 mTHR^B 37 -16.29 -70.70 -9.88 -15.73 -70.74 -10.71 -18.45 -72.00 -9.67 -19.64 -72.06 -9.30 -17.76 -70.65 -9.89 -18.31 -70.01 -11.19 2 0 14.64-999 ?-999 ?-999 ? O1 CIT B 103 mGLU^B 38 -17.71 -73.09 -9.89 -16.78 -72.90 -10.18 -17.12 -75.42 -9.43 -16.08 -75.37 -10.05 -18.25 -74.43 -9.71 -19.02 -74.85 -10.95 2 0 13.22-999 ?-999 ?-999 ? O1 CIT B 103 mPHE^B 39 -17.32 -76.29 -8.44 -18.18 -76.15 -7.94 -17.15 -78.62 -7.93 -17.90 -78.74 -6.99 -16.39 -77.33 -8.11 -15.63 -77.02 -6.81 3 0 10.48-999 ?-999 ?-999 ? O1 CIT B 103 mARG^B 40 -16.90 -79.61 -8.79 -16.22 -79.38 -9.49 -16.56 -82.07 -8.76 -15.50 -81.94 -9.34 -17.56 -80.93 -8.70 -18.52 -81.09 -9.87 2 0 11.65-999 ?-999 ?-999 ? O1 CIT B 103 mHIS^B 41 -16.93 -83.22 -8.21 -17.85 -83.21 -7.80 -16.84 -85.68 -8.00 -17.88 -85.69 -7.39 -16.07 -84.39 -8.22 -15.01 -84.20 -7.15 3 0 11.26-999 ?-999 ?-999 ? O1 CIT B 103 mGLY^B 42 -16.34 -86.80 -8.50 -15.52 -86.69 -9.08 -16.25 -89.16 -8.94 -15.28 -88.90 -9.62 -16.95 -88.05 -8.22-999.99-999.99-999.99 1 0 14.02-999 ?-999 ?-999 ? O1 CIT B 103 mPRO^B 43 -16.74 -90.41 -8.79 -17.53 -90.50 -8.18 -16.39 -91.51 -10.98 -17.42 -91.01 -11.45 -16.14 -91.55 -9.50 -16.84 -92.75 -8.89 3 0 16.01-999 ?-999 ?-999 ? O7 CIT B 103 mASN.B 44 -15.43 -92.04 -11.72 -14.62 -92.31 -11.20 -16.23 -93.54 -13.46 -15.63 -94.61 -13.29 -15.55 -92.20 -13.15 -14.17 -92.08 -13.77 2 0 15.10-999 ?-999 ?-999 ? O2 EDO A 103 mARG.B 45 -17.50 -93.46 -13.87 -17.87 -92.53 -13.85 -17.80 -95.17 -15.62 -18.03 -96.34 -15.94 -18.29 -94.60 -14.30 -19.80 -94.24 -14.43 2 0 14.47-999 ?-999 ?-999 ? O2 EDO A 103 mASP.B 46 -17.12 -94.34 -16.40 -17.10 -93.40 -16.05 -17.30 -95.82 -18.40 -16.92 -96.99 -18.48 -16.47 -94.78 -17.63 -15.09 -95.32 -17.31 2 0 11.53-999 ?-999 ?-999 ? O1 EDO A 103 mPHE.B 47 -18.43 -95.39 -18.95 -18.54 -94.39 -18.95 -18.86 -97.01 -20.76 -19.19 -98.18 -21.03 -19.40 -96.32 -19.50 -20.75 -95.61 -19.75 3 0 10.62-999 ?-999 ?-999 ? O1 EDO A 103 mGLU.B 48 -17.99 -96.32 -21.51 -17.79 -95.41 -21.15 -16.06 -97.62 -22.50 -15.44 -98.11 -23.46 -17.40 -96.87 -22.74 -17.18 -95.74 -23.73 2 0 8.28-999 ?-999 ?-999 ? O1 EDO A 103 mGLN.B 49 -15.63 -97.74 -21.24 -16.28 -97.35 -20.58 -13.17 -97.71 -21.54 -12.26 -98.42 -21.98 -14.35 -98.36 -20.83 -14.32 -99.87 -21.10 2 0 11.15-999 ?-999 ?-999 ? O1 EDO A 103 mLYS.B 50 -13.18 -96.38 -21.64 -13.95 -95.96 -21.15 -11.28 -94.77 -21.52 -10.58 -93.90 -22.04 -12.18 -95.61 -22.40 -12.85 -94.70 -23.43 2 0 9.39-999 ?-999 ?-999 ? O1 EDO A 103 mSER.B 51 -11.31 -95.02 -20.20 -11.92 -95.77 -19.95 -10.35 -95.01 -17.89 -10.45 -94.42 -16.81 -10.51 -94.26 -19.23 -11.16 -92.89 -18.98 2 0 12.09-999 ?-999 ?-999 ? O1 EDO A 103 mGLU.B 52 -10.11 -96.33 -17.98 -9.90 -96.63 -18.91 -9.10 -96.88 -15.74 -9.31 -97.10 -14.56 -10.14 -97.24 -16.81 -9.92 -98.71 -17.25 2 0 15.21-999 ?-999 ?-999 ? O1 EDO A 103 mARG.B 53 -7.97 -96.40 -16.24 -7.94 -96.53 -17.23 -7.27 -94.79 -14.41 -6.66 -94.79 -13.36 -6.87 -95.77 -15.51 -6.07 -94.99 -16.56 2 0 15.60-999 ?-999 ?-999 ? O3 CIT B 103 mTYR.B 54 -8.29 -93.97 -14.66 -8.76 -94.19 -15.52 -10.07 -93.12 -13.13 -11.09 -92.71 -13.66 -8.70 -92.87 -13.78 -8.77 -91.58 -14.60 3 0 13.16-999 ?-999 ?-999 ? O7 CIT B 103 mPRO.B 55 -10.10 -93.85 -11.98 -9.21 -94.17 -11.66 -12.04 -92.95 -10.61 -13.20 -93.06 -10.23 -11.36 -94.12 -11.30 -10.97 -95.17 -10.25 3 0 14.89-999 ?-999 ?-999 ? O7 CIT B 103 mTYR^B 56 -11.34 -91.84 -10.45 -10.41 -91.85 -10.82 -11.41 -89.39 -10.39 -10.30 -89.31 -10.92 -11.93 -90.69 -9.77 -11.63 -90.78 -8.24 3 0 12.36-999 ?-999 ?-999 ? O7 CIT B 103 mGLY^B 57 -12.23 -88.35 -10.35 -13.15 -88.53 -9.98 -12.61 -85.87 -10.35 -13.59 -86.01 -9.68 -11.79 -87.06 -10.80-999.99-999.99-999.99 1 0 9.92-999 ?-999 ?-999 ? O7 CIT B 103 mPHE^B 58 -12.19 -84.68 -10.76 -11.35 -84.70 -11.30 -12.74 -82.35 -11.44 -11.82 -82.36 -12.24 -12.91 -83.46 -10.42 -12.57 -82.99 -9.00 3 0 -8.49-999 ?-999 ?-999 ? O1 CIT B 103s mLEU^B 59 -13.71 -81.44 -11.43 -14.42 -81.62 -10.76 -13.88 -79.01 -11.50 -14.72 -78.91 -10.63 -13.74 -80.30 -12.31 -14.93 -80.44 -13.27 3 0 9.01-999 ?-999 ?-999 ? O1 CIT B 103 mCYH^B 60 -13.04 -78.02 -11.80 -12.27 -78.30 -12.38 -13.39 -75.74 -12.52 -12.57 -75.74 -13.41 -13.21 -76.65 -11.34 -11.98 -76.15 -10.61 2 0 8.40-999 ?-999 ?-999 ? O1 CIT B 103 mTHR^B 61 -14.45 -74.95 -12.47 -15.03 -75.10 -11.67 -14.24 -72.60 -12.93 -14.57 -72.19 -11.79 -14.77 -73.96 -13.47 -16.31 -73.91 -13.64 2 0 11.60-999 ?-999 ?-999 ? O2 CIT B 103 mPHE^B 62 -13.37 -71.95 -13.70 -13.12 -72.44 -14.53 -13.30 -69.59 -14.33 -13.40 -69.86 -15.51 -12.83 -70.63 -13.34 -11.31 -70.63 -13.29 3 0 12.10-999 ?-999 ?-999 ? O2 CIT B 103 mTHR.B 63 -13.58 -68.39 -13.85 -13.46 -68.32 -12.86 -12.95 -66.84 -15.70 -13.25 -66.39 -16.79 -14.04 -67.28 -14.71 -14.51 -66.05 -13.86 2 0 15.73-999 ?-999 ?-999 ? O2 CIT B 103 mASP~B 64 -11.70 -66.95 -15.28 -11.61 -67.38 -14.38 -9.26 -67.05 -15.47 -9.28 -67.73 -14.44 -10.56 -66.51 -16.06 -10.52 -64.96 -16.20 2 0 15.26-999 ?-999 ?-999 ? O2 CIT B 103 mLYS~B 65 -8.15 -66.77 -16.15 -8.32 -66.23 -16.97 -6.37 -66.65 -14.32 -5.68 -67.31 -13.57 -6.80 -67.21 -15.70 -5.77 -66.85 -16.78 2 0 13.59-999 ?-999 ?-999 ? O2 CIT B 103 mALA~B 66 -6.77 -65.42 -14.01 -7.28 -64.95 -14.73 -7.11 -65.65 -11.58 -6.54 -65.82 -10.51 -6.46 -64.83 -12.71 -6.93 -63.35 -12.67 2 0 14.79-999 ?-999 ?-999 ? O2 CIT B 103 mALA~B 67 -8.33 -66.14 -11.85 -8.68 -65.86 -12.74 -8.40 -68.36 -10.75 -8.30 -68.85 -9.62 -9.08 -66.99 -10.93 -10.52 -67.16 -11.45 2 0 12.90-999 ?-999 ?-999 ? O2 CIT B 103 mLEU~B 68 -7.98 -68.99 -11.85 -8.24 -68.56 -12.71 -5.89 -70.01 -10.98 -5.46 -70.90 -10.24 -7.20 -70.21 -11.75 -6.89 -70.80 -13.14 3 0 9.49-999 ?-999 ?-999 ? O2 CIT B 103 mASP~B 69 -5.23 -68.88 -11.19 -5.68 -68.26 -11.83 -4.17 -68.39 -9.02 -3.34 -68.82 -8.24 -3.97 -68.58 -10.52 -3.36 -67.32 -11.09 2 0 10.33-999 ?-999 ?-999 ? O5 CIT B 103 mALA~B 70 -5.28 -67.75 -8.63 -5.86 -67.46 -9.39 -5.83 -68.82 -6.48 -5.39 -68.99 -5.35 -5.62 -67.50 -7.22 -6.87 -66.61 -7.10 2 0 11.72-999 ?-999 ?-999 ? O1 CIT B 103 mTYR~B 71 -6.49 -69.76 -7.13 -6.89 -69.42 -7.98 -5.27 -71.85 -6.59 -4.93 -72.44 -5.54 -6.64 -71.13 -6.66 -7.64 -71.82 -7.61 3 0 -8.16-999 ?-999 ?-999 ? O1 CIT B 103s mALA~B 72 -4.49 -71.78 -7.66 -4.90 -71.28 -8.42 -2.30 -72.05 -6.50 -1.80 -72.97 -5.83 -3.15 -72.37 -7.72 -2.41 -71.95 -8.98 2 0 6.42-999 ?-999 ?-999 ? O5 CIT B 103 mVAL~B 73 -2.16 -70.75 -6.20 -2.69 -70.15 -6.80 -1.93 -70.30 -3.69 -1.20 -70.07 -2.71 -1.33 -70.23 -5.12 -0.83 -68.76 -5.42 3 0 9.10-999 ?-999 ?-999 ? O5 CIT B 103 mHIS~B 74 -3.21 -70.59 -3.57 -3.68 -70.77 -4.43 -3.28 -71.77 -1.41 -3.28 -72.92 -1.85 -3.86 -70.65 -2.25 -5.39 -70.88 -2.37 3 0 10.38-999 ?-999 ?-999 ? O1 CIT B 103 mPRO~B 75 -2.78 -71.45 -0.20 -2.90 -70.50 0.09 -2.99 -73.73 0.91 -2.45 -74.82 1.12 -2.12 -72.50 0.59 -1.71 -71.77 1.88 3 0 11.22-999 ?-999 ?-999 ? O5 CIT B 103 mTHR~B 76 -4.32 -73.54 0.95 -4.60 -72.60 0.77 -5.43 -75.55 0.03 -5.57 -76.78 0.17 -5.26 -74.63 1.23 -6.67 -74.11 1.61 2 0 10.06-999 ?-999 ?-999 ? O1 CIT B 103 mHIS~B 77 -5.43 -74.96 -1.15 -5.46 -73.96 -1.13 -4.06 -76.62 -2.47 -4.07 -77.81 -2.87 -5.38 -75.77 -2.37 -5.48 -74.90 -3.62 3 0 -6.37-999 ?-999 ?-999 ? O1 CIT B 103s mGLN~B 78 -2.94 -75.98 -2.14 -3.08 -75.03 -1.86 -1.54 -77.80 -1.25 -1.04 -78.84 -1.60 -1.64 -76.63 -2.20 -0.56 -75.61 -1.91 2 0 6.80-999 ?-999 ?-999 ? C2 CIT B 103 mARG~B 79 -2.08 -77.63 -0.06 -2.41 -76.70 0.12 -2.92 -79.92 0.33 -2.42 -81.03 0.36 -2.19 -78.72 0.89 -2.94 -78.26 2.13 2 0 -8.82-999 ?-999 ?-999 ? C2 CIT B 103s mALA~B 80 -4.10 -79.67 -0.21 -4.36 -78.71 -0.12 -4.30 -81.29 -2.10 -4.34 -82.48 -2.27 -4.95 -80.68 -0.86 -6.33 -80.07 -1.20 2 0 6.94-999 ?-999 ?-999 ? C2 CIT B 103 mGLY~B 81 -3.67 -80.47 -2.94 -3.80 -79.50 -2.73 -1.67 -81.81 -3.73 -1.35 -82.72 -4.47 -2.88 -80.95 -4.07-999.99-999.99-999.99 1 0 3.85-999 ?-999 ?-999 ? C2 CIT B 103 mGLY~B 82 -0.98 -81.53 -2.64 -1.25 -80.67 -2.19 -0.47 -83.75 -1.74 0.20 -84.76 -1.89 0.09 -82.40 -2.15-999.99-999.99-999.99 1 0 6.34-999 ?-999 ?-999 ? C4 CIT B 103 mMETB 83 -1.71 -83.78 -1.23 -2.18 -82.89 -1.18 -2.65 -85.91 -1.95 -2.50 -87.12 -1.88 -2.31 -85.02 -0.77 -3.55 -84.76 0.05 2 0 8.16-999 ?-999 ?-999 ? C4 CIT B 103 mLEU~B 84 -3.12 -85.29 -3.03 -3.19 -84.30 -2.92 -2.23 -86.59 -4.87 -2.17 -87.78 -5.12 -3.50 -85.97 -4.26 -4.22 -84.99 -5.23 3 0 6.12-999 ?-999 ?-999 ? C4 CIT B 103 mVAL~B 85 -1.20 -85.77 -5.04 -1.38 -84.82 -4.79 0.57 -87.48 -4.80 0.90 -88.50 -5.42 0.08 -86.24 -5.56 1.15 -85.11 -5.57 3 0 5.66-999 ?-999 ?-999 ? C4 CIT B 103 mALA~B 86 0.63 -87.39 -3.47 0.28 -86.52 -3.11 0.22 -89.71 -2.59 0.65 -90.76 -2.15 1.15 -88.46 -2.64 1.44 -87.94 -1.23 2 0 9.30-999 ?-999 ?-999 ? C4 CIT B 103 mSER~B 87 -1.02 -89.55 -3.07 -1.21 -88.62 -3.36 -2.10 -91.32 -4.53 -2.77 -92.32 -4.67 -2.02 -90.62 -3.15 -3.40 -90.07 -2.83 2 0 10.34-999 ?-999 ?-999 ? C4 CIT B 103 mCYH~B 88 -1.40 -90.79 -5.54 -0.84 -90.00 -5.28 -0.21 -92.04 -7.28 0.85 -91.85 -6.66 -1.45 -91.33 -6.89 -1.79 -90.26 -7.91 2 0 9.25-999 ?-999 ?-999 ? O3 CIT B 103 mARG.B 89 -0.35 -92.85 -8.33 -1.27 -92.82 -8.72 1.92 -92.94 -9.35 1.83 -92.08 -10.22 0.71 -93.71 -8.85 0.14 -94.58 -9.96 2 0 11.16-999 ?-999 ?-999 ? O3 CIT B 103 mASN~B 90 3.08 -93.28 -8.81 3.01 -94.03 -8.15 4.26 -91.11 -8.95 4.96 -90.37 -9.63 4.34 -92.61 -9.16 4.74 -92.94 -10.60 2 0 11.09-999 ?-999 ?-999 ? O3 CIT B 103 mGLY~B 91 3.45 -90.68 -7.97 2.96 -91.42 -7.51 2.39 -88.51 -8.56 1.25 -88.90 -8.83 3.29 -89.28 -7.61-999.99-999.99-999.99 1 0 7.97-999 ?-999 ?-999 ? O3 CIT B 103 mALA~B 92 2.92 -87.39 -9.06 3.86 -87.22 -8.75 2.11 -87.12 -11.35 1.33 -86.64 -12.15 2.19 -86.50 -9.98 2.87 -85.11 -10.07 2 0 4.68-999 ?-999 ?-999 ? O3 CIT B 103 mASP~B 93 2.93 -88.14 -11.63 3.64 -88.30 -10.94 1.41 -89.62 -12.98 0.98 -90.01 -14.08 2.79 -88.94 -12.86 3.85 -90.04 -12.91 2 0 7.66-999 ?-999 ?-999 ? O3 CIT B 103 mGLY.B 94 0.71 -89.77 -11.85 1.13 -89.36 -11.04 -1.71 -89.52 -11.85 -2.82 -89.87 -11.46 -0.55 -90.47 -11.82-999.99-999.99-999.99 1 0 8.02-999 ?-999 ?-999 ? O3 CIT B 103 mILE^B 95 -1.46 -88.30 -12.30 -0.51 -88.16 -12.59 -2.47 -86.62 -13.69 -1.42 -86.14 -14.11 -2.50 -87.27 -12.33 -2.26 -86.18 -11.26 3 0 -5.56-999 ?-999 ?-999 ? O3 CIT B 103s mLEU^B 96 -3.61 -86.65 -14.38 -4.30 -87.24 -13.94 -4.60 -84.62 -15.30 -5.59 -84.60 -14.56 -3.88 -85.94 -15.61 -4.76 -86.79 -16.51 3 0 7.36-999 ?-999 ?-999 ? O3 CIT B 103 mVAL^B 97 -4.10 -83.51 -15.85 -3.28 -83.66 -16.41 -4.95 -81.53 -17.01 -3.99 -81.22 -17.73 -4.71 -82.19 -15.63 -3.84 -81.25 -14.77 3 0 6.13-999 ?-999 ?-999 ? O6 CIT B 103 mVAL^B 98 -6.22 -81.30 -17.35 -6.88 -81.69 -16.72 -7.02 -79.11 -18.14 -7.57 -78.92 -17.06 -6.59 -80.54 -18.55 -7.72 -81.30 -19.29 3 0 9.07-999 ?-999 ?-999 ? O6 CIT B 103 mASP^B 99 -6.76 -78.11 -19.00 -6.15 -78.38 -19.74 -7.99 -76.27 -20.14 -7.37 -75.60 -20.97 -7.33 -76.74 -18.85 -6.25 -75.74 -18.43 2 0 9.86-999 ?-999 ?-999 ? O2 CIT B 103 mLEU^B 100 -9.24 -76.66 -20.34 -9.63 -77.22 -19.62 -10.36 -74.79 -21.52 -11.07 -74.39 -20.61 -9.95 -76.26 -21.55 -11.19 -77.10 -21.71 3 0 13.24-999 ?-999 ?-999 ? O2 CIT B 103 mGLU^B 101 -9.97 -73.99 -22.51 -9.34 -74.40 -23.17 -11.72 -72.55 -23.46 -11.66 -72.79 -24.66 -10.46 -72.60 -22.58 -9.39 -71.64 -23.07 2 0 15.54-999 ?-999 ?-999 ? O2 CIT B 103 mVAL^B 102 -12.86 -72.27 -22.85 -12.74 -71.87 -21.94 -14.94 -71.22 -23.56 -14.39 -70.11 -23.51 -14.16 -72.52 -23.46 -14.99 -73.54 -22.66 3 0 16.89-999 ?-999 ?-999 ? O2 EDO A 103 mGLY.C 0 -58.63 -71.82 -13.45 -58.77 -71.09 -12.77 -58.02 -72.35 -15.80 -57.45 -73.06 -16.66 -58.43 -72.91 -14.46-999.99-999.99-999.99 1 0 18.38-999 ?-999 ?-999 ? O2 CIT C 104 mMETC 1 -58.31 -71.06 -15.98 -58.78 -70.64 -15.20 -56.48 -69.97 -17.23 -55.91 -69.63 -16.19 -57.97 -70.33 -17.20 -58.82 -69.07 -17.28 2 0 16.15-999 ?-999 ?-999 ? O2 CIT C 104 mLEU.C 2 -55.84 -70.08 -18.40 -56.44 -70.28 -19.18 -53.94 -68.72 -19.35 -54.36 -68.59 -20.50 -54.38 -69.93 -18.49 -53.70 -71.21 -19.02 3 0 12.53-999 ?-999 ?-999 ? O2 CIT C 104 mTYR.C 3 -53.07 -67.89 -18.78 -52.86 -68.14 -17.83 -51.01 -67.07 -19.76 -50.15 -67.05 -18.89 -52.45 -66.74 -19.44 -52.48 -65.52 -18.53 3 0 11.10-999 ?-999 ?-999 ? O2 CIT C 104 mHIS.C 4 -50.78 -67.39 -21.03 -51.62 -67.38 -21.59 -48.81 -66.43 -22.13 -49.17 -65.86 -23.13 -49.51 -67.71 -21.61 -49.78 -68.71 -22.73 3 0 -7.37-999 ?-999 ?-999 ? O2 CIT C 104s mLEU.C 5 -47.79 -66.00 -21.42 -47.53 -66.61 -20.67 -45.67 -65.04 -22.13 -44.94 -65.70 -21.42 -47.10 -64.76 -21.70 -47.11 -63.91 -20.44 3 0 7.85-999 ?-999 ?-999 ? O2 CIT C 104 mVAL.C 6 -45.27 -64.54 -23.29 -45.92 -63.91 -23.71 -43.26 -63.53 -24.13 -43.81 -62.63 -24.78 -44.00 -64.86 -23.91 -44.22 -65.62 -25.24 3 0 6.27-999 ?-999 ?-999 ? O2 CIT C 104 mMETC 7 -42.05 -63.42 -23.57 -41.76 -64.26 -23.11 -40.01 -62.56 -24.41 -39.34 -63.58 -24.14 -41.23 -62.20 -23.62 -40.82 -61.72 -22.19 2 0 9.06-999 ?-999 ?-999 ? O7 CIT C 104 mLEU.C 8 -39.66 -61.69 -25.35 -40.16 -60.82 -25.30 -37.46 -61.05 -26.17 -37.63 -59.86 -25.90 -38.65 -61.97 -26.35 -39.23 -61.79 -27.77 3 0 9.08-999 ?-999 ?-999 ? C4 CIT C 104 mGLU.C 9 -36.28 -61.62 -26.37 -36.35 -62.61 -26.48 -34.38 -60.95 -27.83 -33.44 -61.69 -28.10 -35.00 -60.93 -26.41 -34.09 -61.65 -25.45 2 0 11.45-999 ?-999 ?-999 ? C4 CIT C 104 mPRO.C 10 -34.89 -60.11 -28.75 -35.57 -59.47 -28.40 -32.94 -60.01 -30.34 -32.32 -59.24 -29.61 -34.45 -60.15 -30.15 -35.15 -58.95 -30.76 3 0 12.41-999 ?-999 ?-999 ? C4 CIT C 104 mGLU.C 11 -32.35 -60.74 -31.28 -32.97 -61.38 -31.75 -30.72 -60.66 -33.08 -31.18 -61.60 -33.72 -30.91 -60.61 -31.58 -30.09 -61.75 -30.97 2 0 11.95-999 ?-999 ?-999 ? O2 EDO C 103 mGLY.C 12 -30.04 -59.66 -33.63 -29.79 -58.94 -32.98 -30.45 -58.54 -35.83 -31.55 -58.08 -35.42 -29.72 -59.63 -35.07-999.99-999.99-999.99 1 0 8.94-999 ?-999 ?-999 ? O2 EDO C 103 mGLU.C 13 -29.85 -58.13 -36.96 -29.02 -58.65 -37.16 -31.87 -57.16 -38.18 -32.62 -56.20 -38.03 -30.36 -57.04 -37.82 -29.47 -56.88 -39.08 2 0 6.15-999 ?-999 ?-999 ? C2 EDO C 103 mGLY~C 14 -32.33 -58.34 -38.59 -31.66 -59.08 -38.60 -34.66 -59.11 -37.99 -35.75 -59.52 -38.35 -33.73 -58.46 -38.99-999.99-999.99-999.99 1 0 3.87-999 ?-999 ?-999 ? C1 EDO C 103 mALA~C 15 -34.24 -59.23 -36.74 -33.42 -58.69 -36.51 -36.39 -59.61 -35.63 -37.31 -60.44 -35.60 -34.94 -60.08 -35.79 -34.18 -60.15 -34.44 2 0 7.34-999 ?-999 ?-999 ? C1 EDO C 103 mMETC 16 -36.63 -58.31 -35.55 -35.82 -57.73 -35.67 -38.93 -57.98 -36.49 -40.14 -58.21 -36.32 -37.98 -57.80 -35.30 -37.96 -56.33 -34.86 2 0 8.00-999 ?-999 ?-999 ? O1 EDO C 103 mASP~C 17 -38.40 -57.89 -37.69 -37.45 -57.57 -37.72 -39.63 -59.67 -38.84 -40.78 -59.97 -39.09 -39.19 -58.22 -38.87 -38.40 -57.92 -40.13 2 0 -5.34-999 ?-999 ?-999 ? O1 EDO C 103s mARG~C 18 -38.72 -60.58 -38.53 -37.80 -60.20 -38.38 -40.06 -62.23 -37.27 -40.99 -63.00 -37.42 -39.06 -62.00 -38.40 -37.81 -62.85 -38.15 2 0 -7.01-999 ?-999 ?-999 ? O1 EDO C 103s mILE~C 19 -39.90 -61.54 -36.16 -39.11 -60.93 -36.16 -42.24 -61.23 -35.41 -43.21 -61.90 -35.05 -40.82 -61.67 -35.03 -40.31 -60.92 -33.77 3 0 10.16-999 ?-999 ?-999 ? O1 EDO C 103 mMETC 20 -42.34 -60.12 -36.15 -41.48 -59.66 -36.35 -44.31 -60.57 -37.62 -45.53 -60.69 -37.60 -43.62 -59.65 -36.62 -43.48 -58.26 -37.20 2 0 10.24-999 ?-999 ?-999 ? O1 EDO C 103 mGLU~C 21 -43.54 -61.23 -38.49 -42.58 -60.97 -38.46 -44.57 -63.49 -38.60 -45.58 -64.11 -38.96 -44.10 -62.25 -39.38 -43.06 -62.64 -40.42 2 0 10.05-999 ?-999 ?-999 ? O1 EDO C 103 mALA~C 22 -43.87 -63.84 -37.54 -43.02 -63.33 -37.46 -45.68 -64.46 -35.96 -46.56 -65.26 -35.78 -44.35 -64.88 -36.60 -43.33 -65.13 -35.53 2 0 9.67-999 ?-999 ?-999 ? C2 CIT C 104 mMETC 23 -45.83 -63.18 -35.63 -45.03 -62.62 -35.81 -48.24 -62.79 -36.02 -49.33 -63.13 -35.63 -47.08 -62.69 -35.05 -46.92 -61.23 -34.56 2 0 9.85-999 ?-999 ?-999 ? O1 CIT C 104 mALA~C 24 -47.99 -62.49 -37.28 -47.05 -62.16 -37.43 -49.39 -64.08 -38.53 -50.57 -64.36 -38.70 -48.96 -62.61 -38.35 -48.38 -62.01 -39.66 2 0 12.78-999 ?-999 ?-999 ? O1 CIT C 104 mILE~C 25 -48.43 -65.01 -38.46 -47.50 -64.64 -38.42 -49.68 -66.82 -37.27 -50.64 -67.56 -37.46 -48.75 -66.44 -38.44 -47.45 -67.33 -38.46 3 0 11.21-999 ?-999 ?-999 ? O1 CIT C 104 mLEU~C 26 -49.44 -66.24 -36.10 -48.63 -65.64 -36.08 -51.68 -65.76 -35.02 -52.63 -66.29 -34.48 -50.28 -66.46 -34.94 -49.52 -66.10 -33.65 3 0 8.76-999 ?-999 ?-999 ? O1 CIT C 104 mASP~C 27 -51.83 -64.62 -35.70 -50.98 -64.24 -36.05 -54.07 -64.84 -36.76 -55.30 -64.84 -36.56 -53.15 -64.00 -35.90 -53.05 -62.70 -36.68 2 0 12.09-999 ?-999 ?-999 ? O1 CIT C 104 mGLY~C 28 -53.50 -65.43 -37.80 -52.54 -65.18 -37.93 -54.63 -67.63 -37.96 -55.73 -68.11 -38.16 -54.23 -66.35 -38.67-999.99-999.99-999.99 1 0 13.91-999 ?-999 ?-999 ? O1 CIT C 104 mLEU~C 29 -53.74 -68.14 -37.11 -52.87 -67.63 -37.08 -55.05 -69.17 -35.23 -55.90 -70.03 -35.11 -53.98 -69.33 -36.31 -52.67 -69.81 -35.63 3 0 11.62-999 ?-999 ?-999 ? O1 CIT C 104 mALA~C 30 -54.98 -68.10 -34.44 -54.27 -67.46 -34.72 -57.37 -68.13 -33.53 -58.02 -68.88 -32.79 -55.86 -67.89 -33.27 -55.60 -66.49 -32.65 2 0 11.47-999 ?-999 ?-999 ? O1 CIT C 104 mPRO~C 31 -57.95 -67.52 -34.58 -57.38 -66.85 -35.07 -59.66 -69.34 -35.06 -60.82 -69.74 -34.88 -59.34 -67.85 -34.94 -59.49 -67.21 -36.34 3 0 15.30-999 ?-999 ?-999 ? O1 CIT C 104 mGLU~C 32 -58.66 -70.15 -35.41 -57.77 -69.69 -35.48 -58.77 -72.44 -34.42 -59.08 -73.62 -34.46 -58.86 -71.58 -35.68 -57.81 -72.05 -36.69 2 0 15.26-999 ?-999 ?-999 ? O1 CIT C 104 mLEU~C 33 -58.33 -71.85 -33.31 -58.06 -70.89 -33.44 -59.30 -71.94 -31.15 -59.13 -70.80 -30.67 -58.23 -72.53 -32.05 -56.84 -72.33 -31.44 3 0 13.41-999 ?-999 ?-999 ? O1 CIT C 104 mPRO.C 34 -60.42 -72.67 -30.96 -60.41 -73.56 -31.41 -61.22 -72.00 -28.67 -61.77 -71.13 -28.03 -61.55 -72.18 -30.16 -62.62 -73.28 -30.33 3 0 16.14-999 ?-999 ?-999 ? O1 CIT C 104 mGLY.C 35 -60.30 -72.82 -28.17 -60.01 -73.53 -28.80 -58.85 -71.50 -26.57 -58.58 -71.22 -25.41 -59.78 -72.68 -26.82-999.99-999.99-999.99 1 0 14.42-999 ?-999 ?-999 ? O1 CIT C 104 mLEU^C 36 -58.36 -70.86 -27.65 -58.63 -71.29 -28.51 -58.43 -68.41 -27.75 -58.86 -68.04 -28.85 -57.53 -69.64 -27.59 -56.44 -69.64 -28.68 3 0 11.77-999 ?-999 ?-999 ? O1 CIT C 104 mTHR^C 37 -58.68 -67.77 -26.61 -58.10 -68.06 -25.86 -59.19 -65.38 -26.88 -59.95 -64.55 -27.33 -59.71 -66.76 -26.49 -60.20 -66.77 -25.06 2 0 14.31-999 ?-999 ?-999 ? O1 CIT C 104 mGLU^C 38 -57.89 -65.15 -26.72 -57.34 -65.93 -26.41 -55.87 -63.91 -27.26 -55.17 -64.65 -26.60 -57.34 -63.83 -26.98 -57.56 -62.90 -25.77 2 0 12.96-999 ?-999 ?-999 ? O1 CIT C 104 mPHE^C 39 -55.43 -63.12 -28.24 -56.15 -62.58 -28.67 -53.63 -61.57 -28.83 -54.19 -60.87 -29.64 -54.04 -63.04 -28.66 -53.81 -63.81 -29.97 3 0 10.55-999 ?-999 ?-999 ? O1 CIT C 104 mARG^C 40 -52.63 -61.13 -28.08 -52.22 -61.82 -27.48 -50.67 -59.67 -28.06 -50.03 -60.32 -27.28 -52.18 -59.75 -28.12 -52.75 -58.95 -26.93 2 0 11.71-999 ?-999 ?-999 ? O1 CIT C 104 mHIS^C 41 -50.11 -58.82 -28.88 -50.75 -58.35 -29.48 -48.37 -57.11 -28.97 -49.16 -56.31 -29.51 -48.69 -58.61 -28.88 -48.10 -59.36 -30.03 3 0 11.35-999 ?-999 ?-999 ? O1 CIT C 104 mGLY^C 42 -47.21 -56.75 -28.46 -46.72 -57.48 -27.97 -45.42 -55.16 -27.87 -44.93 -56.07 -27.17 -46.70 -55.40 -28.61-999.99-999.99-999.99 1 0 14.18-999 ?-999 ?-999 ? O1 CIT C 104 mPRO^C 43 -44.83 -53.97 -28.06 -45.34 -53.32 -28.63 -43.66 -53.47 -25.98 -44.68 -52.96 -25.50 -43.54 -53.66 -27.46 -43.12 -52.35 -28.15 3 0 16.05-999 ?-999 ?-999 ? O1 CIT C 104 mASN.C 44 -42.63 -53.90 -25.25 -41.93 -54.39 -25.78 -41.97 -52.28 -23.60 -40.78 -52.04 -23.86 -42.53 -53.67 -23.81 -41.65 -54.73 -23.18 2 0 13.91-999 ?-999 ?-999 ? O6 CIT D 103 mARG.C 45 -42.85 -51.35 -23.23 -43.79 -51.69 -23.19 -41.77 -49.84 -21.52 -41.16 -48.81 -21.24 -42.48 -49.99 -22.90 -43.73 -49.11 -22.91 2 0 12.92-999 ?-999 ?-999 ? O6 CIT D 103 mASP.C 46 -41.92 -50.84 -20.66 -42.62 -51.50 -20.93 -40.92 -49.63 -18.70 -39.78 -49.13 -18.58 -41.13 -50.96 -19.42 -39.78 -51.61 -19.74 2 0 10.02-999 ?-999 ?-999 ? O6 CIT D 103 mPHE.C 47 -42.03 -49.06 -18.19 -42.85 -49.62 -18.26 -41.16 -47.62 -16.35 -40.67 -46.56 -16.03 -42.01 -47.71 -17.60 -43.42 -47.18 -17.32 3 0 8.81-999 ?-999 ?-999 ? O6 CIT D 103 mGLU.C 48 -40.96 -48.74 -15.66 -41.43 -49.54 -16.05 -38.70 -49.33 -14.67 -37.93 -49.40 -13.73 -40.13 -48.78 -14.43 -40.82 -49.61 -13.32 2 0 -7.09-999 ?-999 ?-999 ? O3 CIT D 103s mGLN.C 49 -38.35 -49.68 -15.91 -39.06 -49.52 -16.59 -36.75 -51.54 -15.44 -35.65 -51.72 -14.95 -37.04 -50.26 -16.24 -35.89 -49.26 -16.01 2 0 9.77-999 ?-999 ?-999 ? O3 CIT D 103 mLYS.C 50 -37.74 -52.43 -15.29 -38.61 -52.15 -15.70 -37.58 -54.87 -15.53 -37.79 -56.00 -15.07 -37.55 -53.70 -14.59 -38.62 -53.89 -13.50 2 0 -8.08-999 ?-999 ?-999 ? O4 CIT D 103s mSER.C 51 -37.42 -54.63 -16.84 -37.27 -53.66 -17.07 -36.79 -55.30 -19.18 -37.26 -55.70 -20.24 -37.45 -55.70 -17.84 -38.90 -56.13 -18.10 2 0 11.31-999 ?-999 ?-999 ? C4 CIT D 103 mGLU.C 52 -35.71 -54.54 -19.14 -35.32 -54.42 -18.22 -34.62 -54.99 -21.36 -34.53 -54.70 -22.57 -35.15 -53.96 -20.37 -34.09 -52.90 -20.05 2 0 14.32-999 ?-999 ?-999 ? O4 CIT D 103 mARG.C 53 -34.35 -56.18 -20.84 -34.44 -56.19 -19.85 -34.99 -57.84 -22.63 -34.64 -58.39 -23.66 -33.96 -57.37 -21.62 -33.69 -58.49 -20.62 2 0 15.88-999 ?-999 ?-999 ? O3 CIT C 104 mTYR.C 54 -36.26 -57.60 -22.34 -36.39 -57.09 -21.49 -38.14 -56.90 -23.83 -39.19 -56.51 -23.30 -37.36 -58.05 -23.18 -38.33 -58.87 -22.31 3 0 13.94-999 ?-999 ?-999 ? O3 CIT C 104 mPRO.C 55 -37.68 -56.35 -24.96 -36.83 -56.76 -25.30 -39.71 -55.56 -26.34 -40.37 -54.64 -26.83 -38.40 -55.24 -25.63 -37.39 -54.76 -26.70 3 0 15.76-999 ?-999 ?-999 ? C4 CIT C 104 mTYR^C 56 -40.07 -56.83 -26.42 -39.44 -57.47 -25.98 -41.81 -58.49 -26.42 -41.05 -59.26 -25.86 -41.28 -57.23 -27.09 -41.01 -57.49 -28.60 3 0 12.93-999 ?-999 ?-999 ? C2 CIT C 104 mGLY^C 57 -43.12 -58.68 -26.49 -43.63 -57.92 -26.89 -45.19 -60.02 -26.49 -45.74 -59.14 -27.15 -43.76 -59.88 -26.01-999.99-999.99-999.99 1 0 10.09-999 ?-999 ?-999 ? O1 CIT C 104 mPHE^C 58 -45.82 -61.13 -26.13 -45.24 -61.78 -25.64 -47.96 -62.20 -25.39 -47.32 -62.86 -24.60 -47.24 -61.34 -26.43 -47.39 -61.93 -27.83 3 0 8.50-999 ?-999 ?-999 ? O1 CIT C 104 mLEU^C 59 -49.30 -62.14 -25.39 -49.64 -61.54 -26.11 -51.19 -63.74 -25.26 -51.87 -63.24 -26.14 -50.19 -62.86 -24.47 -50.97 -61.87 -23.60 3 0 8.80-999 ?-999 ?-999 ? O1 CIT C 104 mCYH^C 60 -51.24 -65.03 -24.94 -50.47 -65.34 -24.39 -53.14 -66.35 -24.17 -52.60 -66.90 -23.25 -52.33 -65.92 -25.34 -51.80 -67.17 -25.99 2 0 7.99-999 ?-999 ?-999 ? O1 CIT C 104 mTHR^C 61 -54.44 -66.11 -24.23 -54.71 -65.62 -25.05 -56.00 -67.86 -23.62 -56.57 -67.99 -24.71 -55.37 -66.53 -23.20 -56.43 -65.43 -23.02 2 0 11.19-999 ?-999 ?-999 ? O1 CIT C 104 mPHE^C 62 -55.89 -68.86 -22.75 -55.40 -68.61 -21.91 -57.49 -70.60 -22.01 -57.34 -70.36 -20.82 -56.43 -70.20 -23.03 -55.32 -71.25 -23.00 3 0 11.83-999 ?-999 ?-999 ? O1 CIT C 104 mTHR.C 63 -58.56 -71.23 -22.50 -58.58 -71.26 -23.50 -59.03 -72.82 -20.65 -59.41 -72.82 -19.48 -59.58 -71.81 -21.66 -60.62 -72.54 -22.51 2 0 15.41-999 ?-999 ?-999 ? O1 CIT C 104 mASP~C 64 -58.19 -73.72 -21.12 -57.98 -73.65 -22.10 -56.30 -75.19 -20.77 -55.85 -74.73 -21.81 -57.63 -74.72 -20.24 -58.61 -75.90 -20.03 2 0 14.91-999 ?-999 ?-999 ? O2 CIT C 104 mLYS~C 65 -55.69 -76.10 -20.00 -56.17 -76.23 -19.13 -54.58 -77.57 -21.70 -53.63 -77.57 -22.49 -54.48 -76.82 -20.35 -54.12 -77.78 -19.20 2 0 13.11-999 ?-999 ?-999 ? O2 CIT C 104 mALA~C 66 -55.72 -78.19 -21.95 -56.37 -78.13 -21.20 -55.92 -77.96 -24.38 -55.35 -78.30 -25.42 -56.01 -78.91 -23.21 -57.42 -79.56 -23.18 2 0 14.41-999 ?-999 ?-999 ? O2 CIT C 104 mALA~C 67 -56.51 -76.77 -24.21 -57.00 -76.68 -23.35 -55.00 -75.25 -25.43 -54.53 -75.13 -26.58 -56.44 -75.71 -25.21 -57.34 -74.53 -24.80 2 0 12.66-999 ?-999 ?-999 ? O1 CIT C 104 mLEU~C 68 -54.28 -75.00 -24.35 -54.80 -75.05 -23.50 -52.06 -75.76 -25.25 -51.24 -75.44 -26.10 -52.84 -74.69 -24.45 -52.21 -74.51 -23.05 3 0 9.31-999 ?-999 ?-999 ? O2 CIT C 104 mASP~C 69 -52.31 -77.03 -24.93 -53.01 -77.13 -24.22 -51.88 -78.24 -27.05 -50.99 -78.54 -27.84 -51.61 -78.16 -25.56 -52.04 -79.48 -24.90 2 0 10.15-999 ?-999 ?-999 ? O6 CIT C 104 mALA~C 70 -53.13 -77.97 -27.42 -53.75 -77.74 -26.67 -52.85 -76.95 -29.63 -52.53 -77.16 -30.79 -53.57 -78.01 -28.80 -55.09 -77.85 -28.87 2 0 11.53-999 ?-999 ?-999 ? O1 CIT C 104 mTYR~C 71 -52.59 -75.80 -29.02 -52.99 -75.75 -28.10 -50.32 -75.09 -29.71 -49.68 -74.91 -30.76 -51.81 -74.72 -29.63 -52.08 -73.44 -28.83 3 0 -8.10-999 ?-999 ?-999 ? O1 CIT C 104s mALA~C 72 -49.77 -75.65 -28.63 -50.41 -75.77 -27.87 -47.97 -77.01 -29.71 -46.94 -76.78 -30.38 -48.37 -76.06 -28.58 -48.03 -76.66 -27.22 2 0 6.27-999 ?-999 ?-999 ? O6 CIT C 104 mVAL~C 73 -48.78 -78.06 -29.95 -49.60 -78.05 -29.39 -48.88 -78.71 -32.38 -48.38 -79.32 -33.34 -48.47 -79.10 -30.95 -49.09 -80.50 -30.60 3 0 8.89-999 ?-999 ?-999 ? O6 CIT C 104 mHIS~C 74 -49.74 -77.71 -32.54 -50.04 -77.26 -31.70 -49.03 -77.02 -34.78 -48.16 -76.20 -34.43 -50.21 -77.32 -33.86 -51.16 -76.11 -33.81 3 0 10.05-999 ?-999 ?-999 ? O5 CIT C 104 mPRO~C 75 -49.03 -77.61 -36.01 -49.81 -78.21 -36.19 -47.70 -75.91 -37.30 -46.54 -75.53 -37.42 -47.95 -77.38 -36.97 -48.39 -78.16 -38.21 3 0 10.45-999 ?-999 ?-999 ? O5 CIT C 104 mTHR~C 76 -48.74 -75.10 -37.46 -49.62 -75.57 -37.39 -48.00 -72.90 -36.50 -47.23 -71.94 -36.66 -48.60 -73.65 -37.71 -49.97 -73.00 -38.08 2 0 10.34-999 ?-999 ?-999 ? O5 CIT C 104 mHIS~C 77 -48.35 -73.32 -35.30 -49.05 -74.03 -35.28 -46.23 -73.14 -34.13 -45.37 -72.32 -33.87 -47.71 -72.75 -34.14 -48.36 -73.18 -32.82 3 0 -7.02-999 ?-999 ?-999 ? O5 CIT C 104s mGLN~C 78 -45.92 -74.39 -34.44 -46.72 -74.96 -34.65 -43.61 -74.04 -35.38 -42.46 -73.83 -35.07 -44.52 -74.84 -34.46 -44.48 -76.29 -34.83 2 0 5.86-999 ?-999 ?-999 ? O5 CIT C 104 mARG~C 79 -44.15 -73.59 -36.51 -45.08 -73.92 -36.65 -43.14 -71.33 -36.87 -42.03 -70.82 -37.02 -43.43 -72.72 -37.45 -44.22 -72.54 -38.77 2 0 -8.10-999 ?-999 ?-999 ? O5 CIT C 104s mALA~C 80 -44.16 -70.73 -36.24 -45.04 -71.20 -36.35 -43.04 -69.67 -34.32 -42.19 -68.83 -34.11 -44.02 -69.49 -35.47 -45.39 -69.01 -34.93 2 0 6.99-999 ?-999 ?-999 ? O5 CIT C 104 mGLY~C 81 -43.22 -70.72 -33.53 -44.06 -71.23 -33.70 -40.80 -71.07 -32.99 -39.97 -70.47 -32.34 -42.25 -71.08 -32.51-999.99-999.99-999.99 1 0 -3.48-999 ?-999 ?-999 ? O5 CIT C 104s mGLY~C 82 -40.50 -71.73 -34.12 -41.28 -72.17 -34.56 -38.63 -70.43 -35.06 -37.46 -70.14 -34.88 -39.15 -71.79 -34.65-999.99-999.99-999.99 1 0 6.29-999 ?-999 ?-999 ? O5 CIT C 104 mMETC 83 -39.49 -69.61 -35.68 -40.38 -70.02 -35.87 -38.72 -67.42 -34.80 -37.76 -66.69 -34.86 -39.14 -68.23 -36.02 -40.30 -67.53 -36.68 2 0 8.35-999 ?-999 ?-999 ? C4 CIT C 104 mLEU~C 84 -39.47 -67.54 -33.70 -40.28 -68.13 -33.82 -37.82 -67.36 -31.88 -37.00 -66.55 -31.52 -39.15 -66.89 -32.44 -40.27 -67.07 -31.42 3 0 5.89-999 ?-999 ?-999 ? C4 CIT C 104 mVAL~C 85 -37.60 -68.65 -31.83 -38.37 -69.21 -32.16 -35.15 -68.63 -32.12 -34.22 -68.10 -31.54 -36.33 -69.19 -31.32 -36.34 -70.75 -31.30 3 0 -5.66-999 ?-999 ?-999 ? O4 CIT C 104s mALA~C 86 -35.23 -68.70 -33.45 -36.07 -69.09 -33.81 -33.97 -66.70 -34.31 -32.93 -66.18 -34.76 -34.14 -68.24 -34.30 -34.26 -68.82 -35.71 2 0 9.28-999 ?-999 ?-999 ? O4 CIT C 104 mSER~C 87 -34.97 -65.97 -33.83 -35.76 -66.52 -33.56 -34.33 -63.96 -32.40 -34.10 -62.77 -32.25 -34.89 -64.48 -33.73 -36.29 -63.87 -33.95 2 0 10.18-999 ?-999 ?-999 ? C4 CIT C 104 mCYH~C 88 -34.15 -64.84 -31.42 -34.33 -65.79 -31.68 -32.30 -64.73 -29.72 -31.66 -65.66 -30.24 -33.74 -64.43 -30.10 -34.72 -64.99 -29.06 2 0 9.62-999 ?-999 ?-999 ? C4 CIT C 104 mARG.C 89 -31.80 -63.92 -28.79 -32.43 -63.21 -28.46 -30.25 -65.44 -27.70 -31.00 -65.81 -26.82 -30.43 -64.06 -28.31 -30.06 -62.99 -27.28 2 0 11.96-999 ?-999 ?-999 ? O3 CIT C 104 mASN~C 90 -29.25 -66.18 -28.19 -28.70 -65.72 -28.88 -30.18 -68.48 -27.89 -30.40 -69.36 -27.07 -28.98 -67.54 -27.75 -28.43 -67.52 -26.32 2 0 11.43-999 ?-999 ?-999 ? O3 CIT C 104 mGLY~C 91 -30.97 -68.30 -28.94 -30.72 -67.52 -29.51 -33.16 -69.15 -28.13 -33.64 -68.10 -27.78 -32.10 -69.17 -29.20-999.99-999.99-999.99 1 0 8.26-999 ?-999 ?-999 ? O4 CIT C 104 mALA~C 92 -33.49 -70.32 -27.60 -32.90 -71.07 -27.91 -34.33 -69.87 -25.30 -35.24 -69.57 -24.54 -34.62 -70.50 -26.65 -34.98 -71.98 -26.48 2 0 5.11-999 ?-999 ?-999 ? O3 CIT C 104 mASP~C 93 -33.05 -69.68 -25.01 -32.42 -70.09 -25.67 -33.03 -67.46 -23.85 -33.06 -66.82 -22.80 -32.61 -68.94 -23.83 -31.09 -69.02 -23.74 2 0 7.85-999 ?-999 ?-999 ? O3 CIT C 104 mGLY.C 94 -33.37 -66.93 -25.03 -33.33 -67.56 -25.80 -35.24 -65.38 -25.08 -35.74 -64.31 -25.37 -33.74 -65.54 -25.16-999.99-999.99-999.99 1 0 8.41-999 ?-999 ?-999 ? O3 CIT C 104 mILE^C 95 -35.95 -66.44 -24.70 -35.39 -67.26 -24.55 -37.75 -66.75 -23.05 -37.19 -67.71 -22.47 -37.40 -66.43 -24.52 -38.13 -67.40 -25.52 3 0 5.76-999 ?-999 ?-999 ? O3 CIT C 104 mLEU^C 96 -38.62 -65.89 -22.45 -38.81 -65.08 -22.99 -40.67 -66.45 -21.37 -41.39 -65.69 -22.00 -39.23 -66.10 -21.13 -39.14 -64.82 -20.28 3 0 7.45-999 ?-999 ?-999 ? O3 CIT C 104 mVAL^C 97 -41.10 -67.63 -20.89 -40.38 -68.19 -20.48 -43.06 -68.16 -19.52 -42.45 -68.82 -18.69 -42.51 -68.03 -20.96 -42.72 -69.30 -21.81 3 0 -6.03-999 ?-999 ?-999 ? O7 CIT C 104s mVAL^C 98 -44.16 -67.44 -19.23 -44.40 -66.80 -19.96 -46.31 -68.15 -18.34 -46.88 -67.85 -19.38 -44.95 -67.54 -18.00 -45.14 -66.15 -17.34 3 0 9.03-999 ?-999 ?-999 ? O2 CIT C 104 mASP^C 99 -46.82 -69.05 -17.50 -46.18 -69.28 -16.76 -49.01 -69.41 -16.38 -49.09 -70.28 -15.54 -48.18 -69.64 -17.65 -48.10 -71.15 -17.98 2 0 9.55-999 ?-999 ?-999 ? O2 CIT C 104 mLEU^C 100 -49.63 -68.25 -16.23 -49.54 -67.62 -17.01 -51.72 -68.66 -15.03 -52.45 -68.57 -15.98 -50.38 -67.94 -15.03 -50.61 -66.45 -14.87 3 0 13.04-999 ?-999 ?-999 ? O2 CIT C 104 mGLU^C 101 -52.04 -69.40 -13.95 -51.32 -69.49 -13.26 -54.23 -69.10 -12.99 -54.08 -69.03 -11.79 -53.36 -70.01 -13.85 -53.33 -71.43 -13.32 2 0 15.31-999 ?-999 ?-999 ? O2 CIT C 104 mVAL^C 102 -55.14 -68.41 -13.67 -55.28 -68.75 -14.60 -57.33 -67.61 -12.96 -57.75 -68.78 -12.95 -55.86 -67.26 -13.11 -55.70 -66.00 -14.00 3 0 16.72-999 ?-999 ?-999 ? O2 CIT D 103 mASN.D -5 -37.69 -46.03 -26.54 -36.96 -45.35 -26.50 -40.01 -46.50 -25.85 -40.41 -47.02 -24.83 -38.78 -47.04 -26.59 -38.30 -48.37 -26.01 2 0 18.06-999 ?-999 ?-999 ? O6 CIT D 103 mLEU.D -4 -40.62 -45.49 -26.44 -40.38 -45.39 -27.41 -43.01 -44.89 -26.11 -43.34 -45.03 -27.26 -41.55 -44.60 -25.76 -41.19 -43.16 -26.17 3 0 17.25-999 ?-999 ?-999 ? O6 CIT D 103 mTYR.D -3 -43.88 -44.96 -25.12 -43.44 -44.95 -24.23 -45.89 -44.20 -26.53 -45.51 -43.04 -26.72 -45.34 -45.04 -25.34 -46.05 -44.62 -24.05 3 0 16.23-999 ?-999 ?-999 ? O6 CIT D 103 mPHE.D -2 -46.76 -44.81 -27.33 -46.91 -45.76 -27.08 -48.93 -44.34 -28.23 -49.40 -45.45 -28.12 -47.44 -44.16 -28.46 -47.00 -44.81 -29.78 3 0 19.54-999 ?-999 ?-999 ? O6 CIT D 103 mGLN.D -1 -49.69 -43.28 -28.12 -49.30 -42.43 -28.48 -51.71 -44.79 -27.99 -51.91 -44.95 -29.26 -51.01 -43.45 -27.49 -51.87 -42.16 -27.62 2 0 19.62-999 ?-999 ?-999 ? O6 CIT D 103 mGLY.D 0 -51.99 -45.68 -26.98 -51.76 -45.28 -26.10 -52.80 -47.84 -25.68 -52.41 -47.37 -24.59 -52.56 -47.08 -27.07-999.99-999.99-999.99 1 0 18.60-999 ?-999 ?-999 ? O6 CIT D 103 mMETD 1 -53.40 -49.04 -25.73 -53.56 -49.33 -26.67 -52.61 -50.64 -23.88 -51.71 -51.03 -24.54 -53.78 -49.85 -24.53 -54.91 -50.82 -24.95 2 0 15.97-999 ?-999 ?-999 ? O2 CIT D 103 mLEU.D 2 -52.62 -50.87 -22.58 -53.49 -50.64 -22.15 -51.71 -52.65 -20.99 -52.58 -52.61 -20.15 -51.43 -51.43 -21.88 -50.75 -50.35 -21.01 3 0 12.48-999 ?-999 ?-999 ? O2 CIT D 103 mTYR.D 3 -50.92 -53.70 -21.16 -50.30 -53.58 -21.94 -49.73 -54.85 -19.42 -48.61 -54.91 -19.87 -50.93 -54.92 -20.32 -50.90 -56.21 -21.17 3 0 10.95-999 ?-999 ?-999 ? O2 CIT D 103 mHIS.D 4 -50.00 -54.65 -18.13 -50.99 -54.62 -17.96 -48.94 -55.82 -16.33 -49.88 -56.23 -15.67 -49.03 -54.49 -17.07 -49.54 -53.38 -16.15 3 0 -7.34-999 ?-999 ?-999 ? O2 CIT D 103s mLEU.D 5 -47.80 -56.49 -16.49 -47.11 -55.98 -17.01 -46.51 -57.71 -14.86 -45.45 -57.13 -15.06 -47.56 -57.81 -15.95 -47.13 -58.77 -17.09 3 0 7.73-999 ?-999 ?-999 ? O2 CIT D 103 mVAL.D 6 -46.85 -58.22 -13.69 -47.77 -58.61 -13.68 -45.71 -59.67 -12.08 -46.65 -60.35 -11.73 -45.94 -58.22 -12.52 -46.51 -57.36 -11.35 3 0 5.86-999 ?-999 ?-999 ? C2 CIT D 103 mMETD 7 -44.45 -60.12 -12.15 -43.81 -59.45 -12.54 -43.17 -61.30 -10.47 -42.26 -60.45 -10.44 -44.03 -61.45 -11.72 -43.22 -62.16 -12.80 2 0 8.51-999 ?-999 ?-999 ? C2 CIT D 103 mLEU.D 8 -43.46 -62.13 -9.45 -44.08 -62.88 -9.70 -41.95 -63.07 -7.76 -42.19 -64.22 -8.08 -42.92 -61.95 -8.11 -44.08 -61.92 -7.09 3 0 8.81-999 ?-999 ?-999 ? C4 CIT D 103 mGLU.D 9 -40.88 -62.73 -7.08 -40.80 -61.74 -6.94 -39.99 -63.71 -5.04 -39.18 -63.05 -4.39 -39.91 -63.69 -6.57 -38.53 -63.26 -7.05 2 0 10.95-999 ?-999 ?-999 ? O4 CIT D 103 mPRO.D 10 -40.97 -64.44 -4.46 -41.51 -65.02 -5.06 -40.01 -64.86 -2.17 -39.40 -65.87 -2.50 -41.17 -64.33 -3.00 -42.43 -65.17 -2.75 3 0 12.32-999 ?-999 ?-999 ? O4 CIT D 103 mGLU.D 11 -39.71 -64.16 -1.09 -40.32 -63.38 -0.93 -39.05 -64.25 1.24 -39.59 -63.19 1.58 -38.62 -64.49 -0.22 -37.41 -63.62 -0.58 2 0 14.00-999 ?-999 ?-999 ? O4 CIT D 103 mGLY.D 12 -38.80 -65.24 2.09 -38.47 -66.08 1.65 -40.23 -65.78 4.03 -41.15 -66.10 3.26 -38.99 -65.10 3.52-999.99-999.99-999.99 1 0 16.65-999 ?-999 ?-999 ? O4 CIT D 103 mGLU.D 13 -40.25 -66.00 5.34 -39.42 -65.70 5.81 -42.56 -65.71 5.88 -42.45 -64.50 6.03 -41.37 -66.63 6.03 -41.05 -66.86 7.52 2 0 19.31-999 ?-999 ?-999 ? O4 CIT D 103 mGLY~D 14 -43.70 -66.29 5.53 -43.66 -67.29 5.45 -44.96 -64.65 4.04 -45.94 -63.94 3.87 -44.90 -65.50 5.30-999.99-999.99-999.99 1 0 17.95-999 ?-999 ?-999 ? O7 CIT D 103 mALA~D 15 -43.96 -64.72 3.15 -43.21 -65.32 3.43 -45.30 -64.13 1.09 -45.94 -63.16 0.68 -43.98 -63.95 1.87 -42.83 -64.36 0.99 2 0 14.59-999 ?-999 ?-999 ? O7 CIT D 103 mMETD 16 -45.70 -65.38 0.89 -45.14 -66.07 1.35 -48.15 -65.27 0.72 -49.07 -64.86 0.01 -46.85 -65.69 0.09 -46.90 -67.18 -0.31 2 0 14.97-999 ?-999 ?-999 ? C2 CIT D 103 mASP~D 17 -48.25 -65.39 2.04 -47.47 -65.86 2.47 -49.55 -63.40 2.57 -50.66 -62.92 2.37 -49.40 -64.89 2.79 -49.27 -65.18 4.30 2 0 16.00-999 ?-999 ?-999 ? O1 CIT D 103 mARG~D 18 -48.44 -62.67 2.61 -47.60 -63.20 2.76 -48.81 -60.85 1.02 -49.52 -59.87 0.78 -48.47 -61.24 2.47 -47.13 -60.64 2.92 2 0 13.19-999 ?-999 ?-999 ? O1 CIT D 103 mILE~D 19 -48.33 -61.64 0.06 -47.76 -62.39 0.41 -50.11 -61.65 -1.64 -50.69 -60.88 -2.39 -48.61 -61.43 -1.35 -47.69 -62.31 -2.28 3 0 10.65-999 ?-999 ?-999 ? O1 CIT D 103 mMETD 20 -50.71 -62.68 -1.04 -50.10 -63.26 -0.51 -53.03 -61.88 -0.49 -54.17 -61.68 -0.91 -52.14 -62.94 -1.17 -52.49 -64.34 -0.59 2 0 12.65-999 ?-999 ?-999 ? O1 CIT D 103 mGLU~D 21 -52.55 -61.25 0.59 -51.71 -61.66 0.96 -53.25 -58.89 0.16 -54.25 -58.21 0.00 -53.21 -60.07 1.16 -52.51 -59.61 2.47 2 0 12.56-999 ?-999 ?-999 ? O1 CIT D 103 mALA~D 22 -52.12 -58.65 -0.47 -51.40 -59.29 -0.21 -52.74 -57.85 -2.66 -53.34 -56.93 -3.19 -51.90 -57.58 -1.45 -50.39 -57.48 -1.80 2 0 8.76-999 ?-999 ?-999 ? O1 CIT D 103 mMETD 23 -52.85 -59.12 -3.09 -52.22 -59.74 -2.62 -55.28 -59.20 -3.84 -56.00 -58.69 -4.69 -53.83 -59.53 -4.14 -53.70 -61.01 -4.46 2 0 9.48-999 ?-999 ?-999 ? O1 CIT D 103 mALA~D 24 -55.71 -59.45 -2.61 -55.01 -59.87 -2.03 -57.38 -57.62 -2.10 -58.49 -57.16 -2.43 -57.08 -59.15 -2.14 -57.28 -59.76 -0.76 2 0 12.34-999 ?-999 ?-999 ? O1 CIT D 103 mILE~D 25 -56.41 -56.85 -1.62 -55.66 -57.37 -1.20 -56.58 -54.90 -3.16 -57.50 -54.12 -3.45 -56.42 -55.41 -1.71 -55.13 -54.84 -1.03 3 0 10.67-999 ?-999 ?-999 ? O1 CIT D 103 mLEU~D 26 -55.71 -55.35 -4.07 -55.01 -55.96 -3.70 -57.05 -55.48 -6.20 -57.60 -54.77 -7.06 -55.77 -54.98 -5.48 -54.50 -55.45 -6.21 3 0 8.34-999 ?-999 ?-999 ? O1 CIT D 103 mASP~D 27 -57.54 -56.66 -5.83 -56.93 -57.19 -5.24 -59.97 -56.14 -5.89 -60.82 -55.87 -6.70 -58.88 -57.12 -6.26 -59.24 -58.48 -5.66 2 0 11.72-999 ?-999 ?-999 ? O1 CIT D 103 mGLY~D 28 -59.94 -55.62 -4.67 -59.25 -56.01 -4.06 -60.69 -53.25 -5.00 -61.68 -52.60 -5.31 -60.85 -54.56 -4.26-999.99-999.99-999.99 1 0 13.41-999 ?-999 ?-999 ? O1 CIT D 103 mLEU~D 29 -59.46 -52.87 -5.31 -58.76 -53.51 -4.99 -59.65 -51.55 -7.52 -60.17 -50.51 -7.93 -59.17 -51.62 -6.05 -57.68 -51.25 -5.98 3 0 11.38-999 ?-999 ?-999 ? O1 CIT D 103 mALA~D 30 -59.46 -52.63 -8.30 -59.14 -53.43 -7.78 -61.09 -52.17 -10.23 -61.21 -51.44 -11.23 -59.69 -52.65 -9.76 -59.43 -54.04 -10.31 2 0 11.80-999 ?-999 ?-999 ? O2 CIT D 103 mPRO~D 31 -62.16 -52.64 -9.55 -61.95 -53.30 -8.83 -63.73 -50.69 -9.57 -64.70 -50.15 -9.99 -63.51 -52.17 -9.88 -64.41 -52.99 -8.98 3 0 15.63-999 ?-999 ?-999 ? O2 CIT D 103 mGLU~D 32 -62.83 -50.07 -8.81 -62.08 -50.65 -8.50 -62.09 -47.79 -9.36 -62.18 -46.60 -9.23 -62.93 -48.68 -8.48 -62.54 -48.49 -7.01 2 0 15.54-999 ?-999 ?-999 ? O1 CIT D 103 mLEU~D 33 -61.29 -48.36 -10.26 -61.29 -49.35 -10.21 -61.05 -47.92 -12.59 -60.91 -49.04 -13.05 -60.48 -47.61 -11.22 -59.03 -48.08 -11.15 3 0 13.70-999 ?-999 ?-999 ? O2 CIT D 103 mPRO.D 34 -61.73 -46.93 -13.23 -61.72 -46.05 -12.76 -61.51 -47.51 -15.67 -61.96 -48.18 -16.58 -62.42 -47.15 -14.50 -63.13 -45.80 -14.79 3 0 16.26-999 ?-999 ?-999 ? O2 CIT D 103 mGLY.D 35 -60.25 -47.08 -15.63 -60.03 -46.54 -14.81 -58.51 -48.67 -16.46 -57.65 -48.99 -17.27 -59.28 -47.39 -16.68-999.99-999.99-999.99 1 0 14.30-999 ?-999 ?-999 ? O2 CIT D 103 mLEU^D 36 -58.77 -49.35 -15.33 -59.37 -48.86 -14.70 -59.33 -51.69 -15.28 -60.21 -51.85 -14.46 -58.21 -50.70 -15.06 -57.63 -50.84 -13.65 3 0 11.69-999 ?-999 ?-999 ? O2 CIT D 103 mTHR^D 37 -59.24 -52.32 -16.44 -58.32 -52.26 -16.82 -60.42 -54.51 -16.71 -61.49 -55.16 -16.84 -60.31 -53.03 -17.12 -60.01 -52.84 -18.65 2 0 14.31-999 ?-999 ?-999 ? O2 CIT D 103 mGLU^D 38 -59.31 -55.04 -16.23 -58.54 -54.42 -16.17 -58.04 -56.58 -14.93 -56.98 -56.01 -15.19 -59.26 -56.42 -15.83 -59.15 -57.32 -17.06 2 0 13.24-999 ?-999 ?-999 ? O2 CIT D 103 mPHE^D 39 -58.24 -57.32 -13.84 -59.19 -57.60 -13.70 -57.30 -59.19 -12.65 -58.35 -59.69 -12.27 -57.18 -57.69 -12.94 -57.29 -56.86 -11.68 3 0 10.85-999 ?-999 ?-999 ? O2 CIT D 103 mARG^D 40 -56.21 -59.91 -12.91 -55.45 -59.37 -13.26 -54.82 -61.65 -12.03 -53.83 -61.00 -12.30 -56.13 -61.35 -12.70 -56.14 -62.07 -14.03 2 0 12.11-999 ?-999 ?-999 ? O2 CIT D 103 mHIS^D 41 -54.83 -62.63 -11.15 -55.73 -63.05 -11.00 -53.66 -64.55 -10.24 -54.74 -65.15 -10.18 -53.62 -63.06 -10.47 -53.47 -62.31 -9.14 3 0 11.67-999 ?-999 ?-999 ? O2 CIT D 103 mGLY^D 42 -52.49 -65.17 -10.13 -51.70 -64.58 -10.29 -51.04 -67.17 -9.93 -50.11 -66.47 -10.32 -52.42 -66.59 -9.79-999.99-999.99-999.99 1 0 14.38-999 ?-999 ?-999 ? C1 CIT D 103 mPRO^D 43 -50.90 -68.46 -9.60 -51.74 -68.92 -9.30 -49.10 -69.29 -11.10 -49.87 -69.43 -12.00 -49.59 -69.12 -9.68 -49.83 -70.48 -9.00 3 0 15.89-999 ?-999 ?-999 ? C2 CIT D 103 mASN.D 44 -47.79 -69.26 -11.27 -47.30 -69.03 -10.43 -46.83 -71.04 -12.64 -45.99 -71.57 -11.95 -47.11 -69.55 -12.54 -45.79 -68.74 -12.60 2 0 14.21-999 ?-999 ?-999 ? O2 CIT C 104 mARG.D 45 -47.54 -71.72 -13.51 -48.17 -71.17 -14.05 -46.21 -73.50 -14.52 -45.70 -74.62 -14.46 -47.41 -73.16 -13.66 -48.67 -73.70 -14.32 2 0 13.40-999 ?-999 ?-999 ? O2 CIT C 104 mASP.D 46 -45.79 -72.54 -15.34 -46.41 -71.75 -15.38 -44.32 -74.01 -16.67 -43.39 -74.71 -16.28 -44.56 -72.62 -16.10 -43.40 -72.19 -15.23 2 0 10.62-999 ?-999 ?-999 ? O7 CIT C 104 mPHE.D 47 -45.16 -74.38 -17.61 -45.80 -73.67 -17.90 -43.88 -76.01 -18.98 -43.51 -77.18 -19.13 -45.13 -75.73 -18.16 -46.39 -75.99 -18.99 3 0 9.78-999 ?-999 ?-999 ? O6 CIT C 104 mGLU.D 48 -43.23 -74.98 -19.50 -43.67 -74.09 -19.35 -40.70 -74.95 -19.38 -39.61 -75.10 -19.88 -41.96 -75.16 -20.22 -41.92 -74.22 -21.42 2 0 -7.46-999 ?-999 ?-999 ? O6 CIT C 104s mGLN.D 49 -40.85 -74.63 -18.10 -41.81 -74.54 -17.82 -38.81 -73.25 -17.62 -37.57 -73.32 -17.51 -39.72 -74.42 -17.19 -38.88 -75.70 -17.05 2 0 9.60-999 ?-999 ?-999 ? O3 CIT C 104 mLYS.D 50 -39.42 -72.17 -18.10 -40.42 -72.21 -18.04 -38.80 -69.73 -17.80 -38.42 -68.65 -18.24 -38.68 -71.02 -18.65 -39.12 -70.78 -20.11 2 0 -7.73-999 ?-999 ?-999 ? O3 CIT C 104s mSER.D 51 -39.30 -69.88 -16.56 -39.52 -70.82 -16.32 -39.65 -69.18 -14.22 -40.47 -68.61 -13.51 -39.50 -68.75 -15.66 -40.76 -67.97 -16.06 2 0 10.99-999 ?-999 ?-999 ? O3 CIT C 104 mGLU.D 52 -38.84 -70.14 -13.79 -38.11 -70.38 -14.44 -38.68 -69.88 -11.30 -39.20 -70.11 -10.19 -39.01 -70.77 -12.49 -38.22 -72.09 -12.43 2 0 13.85-999 ?-999 ?-999 ? O3 CIT C 104 mARG.D 53 -37.86 -68.87 -11.54 -37.40 -68.95 -12.42 -38.93 -67.08 -10.08 -38.94 -66.61 -8.96 -37.65 -67.74 -10.62 -36.85 -66.69 -11.37 2 0 15.63-999 ?-999 ?-999 ? O4 CIT D 103 mTYR.D 54 -40.00 -67.05 -10.88 -39.87 -67.58 -11.72 -42.43 -67.23 -10.39 -43.15 -67.50 -11.36 -41.23 -66.31 -10.56 -41.52 -65.31 -11.69 3 0 13.46-999 ?-999 ?-999 ? C4 CIT D 103 mPRO.D 55 -42.67 -67.74 -9.17 -42.02 -67.47 -8.46 -45.24 -68.01 -8.94 -46.21 -68.75 -8.91 -43.83 -68.63 -8.95 -43.54 -69.27 -7.58 3 0 15.10-999 ?-999 ?-999 ? C2 CIT D 103 mTYR^D 56 -45.36 -66.69 -8.92 -44.50 -66.19 -9.00 -46.60 -64.75 -9.57 -45.51 -64.13 -9.68 -46.67 -66.05 -8.79 -47.05 -65.81 -7.30 3 0 12.39-999 ?-999 ?-999 ? C2 CIT D 103 mGLY^D 57 -47.72 -64.37 -10.17 -48.47 -65.04 -10.13 -49.23 -62.56 -11.02 -50.23 -63.21 -10.69 -47.83 -63.08 -10.81-999.99-999.99-999.99 1 0 9.79-999 ?-999 ?-999 ? C2 CIT D 103 mPHE^D 58 -49.29 -61.34 -11.55 -48.40 -60.89 -11.64 -50.48 -59.90 -13.20 -49.41 -59.42 -13.55 -50.55 -60.75 -11.95 -51.22 -59.98 -10.80 3 0 8.52-999 ?-999 ?-999 ? O2 CIT D 103 mLEU^D 59 -51.64 -59.75 -13.83 -52.39 -60.27 -13.42 -52.92 -57.83 -14.76 -54.04 -58.17 -14.35 -51.84 -58.90 -15.00 -52.26 -59.76 -16.21 3 0 8.75-999 ?-999 ?-999 ? O2 CIT D 103 mCYH^D 60 -52.58 -56.56 -15.02 -51.60 -56.41 -15.11 -53.67 -55.05 -16.62 -52.67 -54.92 -17.30 -53.57 -55.49 -15.15 -53.21 -54.29 -14.29 2 0 8.09-999 ?-999 ?-999 ? O2 CIT D 103 mTHR^D 61 -54.89 -54.88 -17.11 -55.61 -55.16 -16.48 -55.63 -52.90 -18.20 -56.57 -52.66 -17.48 -55.18 -54.33 -18.40 -56.30 -55.15 -19.07 2 0 11.21-999 ?-999 ?-999 ? O2 CIT D 103 mPHE^D 62 -54.92 -51.95 -18.81 -54.15 -52.31 -19.34 -55.65 -49.98 -20.06 -55.08 -50.35 -21.06 -55.24 -50.52 -18.71 -54.05 -49.72 -18.19 3 0 11.63-999 ?-999 ?-999 ? O2 CIT D 103 mTHR.D 63 -56.69 -49.17 -20.08 -57.14 -49.07 -19.19 -56.01 -47.65 -21.96 -55.95 -47.57 -23.19 -57.12 -48.47 -21.28 -58.31 -47.54 -20.93 2 0 15.22-999 ?-999 ?-999 ? O2 CIT D 103 mASP~D 64 -55.17 -47.01 -21.14 -55.36 -47.16 -20.17 -53.10 -45.88 -20.51 -53.27 -46.36 -19.40 -54.07 -46.17 -21.63 -54.59 -44.85 -22.25 2 0 14.78-999 ?-999 ?-999 ? O2 CIT D 103 mLYS~D 65 -52.05 -45.13 -20.83 -52.04 -44.86 -21.79 -51.60 -43.83 -18.75 -51.15 -43.88 -17.61 -51.02 -44.74 -19.85 -49.87 -44.08 -20.62 2 0 12.80-999 ?-999 ?-999 ? O6 CIT D 103 mALA~D 66 -52.62 -43.03 -19.08 -52.86 -43.05 -20.05 -53.84 -43.12 -16.99 -53.59 -42.87 -15.82 -53.31 -42.21 -18.09 -54.48 -41.40 -18.74 2 0 14.30-999 ?-999 ?-999 ? O6 CIT D 103 mALA~D 67 -54.54 -44.17 -17.40 -54.67 -44.20 -18.39 -54.03 -45.89 -15.67 -54.21 -46.09 -14.45 -55.09 -45.19 -16.51 -55.94 -46.20 -17.30 2 0 12.39-999 ?-999 ?-999 ? O2 CIT D 103 mLEU~D 68 -52.92 -46.26 -16.28 -52.93 -46.12 -17.27 -51.27 -45.87 -14.45 -50.99 -46.29 -13.34 -51.81 -46.83 -15.52 -50.69 -47.26 -16.46 3 0 9.09-999 ?-999 ?-999 ? O2 CIT D 103 mASP~D 69 -51.11 -44.60 -14.81 -51.40 -44.41 -15.75 -51.49 -43.35 -12.70 -51.01 -43.11 -11.58 -50.57 -43.58 -13.91 -50.36 -42.24 -14.65 2 0 9.96-999 ?-999 ?-999 ? O6 CIT D 103 mALA~D 70 -52.80 -43.41 -12.95 -53.02 -43.58 -13.91 -53.77 -44.38 -10.90 -54.02 -44.16 -9.69 -53.82 -43.25 -11.93 -55.23 -43.15 -12.59 2 0 11.48-999 ?-999 ?-999 ? O2 CIT D 103 mTYR~D 71 -53.48 -45.58 -11.38 -53.36 -45.60 -12.37 -52.07 -46.67 -9.73 -52.05 -47.01 -8.52 -53.34 -46.76 -10.54 -53.36 -48.00 -11.45 3 0 -8.22-999 ?-999 ?-999 ? O2 CIT D 103s mALA~D 72 -51.00 -46.21 -10.38 -51.17 -45.97 -11.33 -49.79 -45.24 -8.48 -49.33 -45.69 -7.43 -49.69 -46.08 -9.74 -48.67 -45.48 -10.72 2 0 6.21-999 ?-999 ?-999 ? O5 CIT D 103 mVAL~D 73 -50.43 -44.07 -8.56 -50.84 -43.90 -9.46 -51.65 -43.37 -6.42 -51.65 -42.78 -5.34 -50.52 -43.12 -7.44 -50.61 -41.63 -7.92 3 0 8.97-999 ?-999 ?-999 ? O5 CIT D 103 mHIS~D 74 -52.59 -44.26 -6.75 -52.44 -44.74 -7.61 -53.24 -45.04 -4.58 -52.47 -46.02 -4.59 -53.73 -44.48 -5.89 -54.74 -45.44 -6.54 3 0 10.44-999 ?-999 ?-999 ? O1 CIT D 103 mPRO~D 75 -53.69 -44.45 -3.43 -54.38 -43.74 -3.52 -53.21 -46.41 -1.85 -52.34 -46.93 -1.16 -53.12 -44.90 -2.15 -53.86 -44.08 -1.09 3 0 11.12-999 ?-999 ?-999 ? O1 CIT D 103 mTHR~D 76 -54.25 -47.08 -2.37 -54.88 -46.48 -2.86 -53.40 -49.29 -2.97 -52.84 -50.27 -2.43 -54.46 -48.52 -2.23 -55.89 -48.98 -2.70 2 0 9.64-999 ?-999 ?-999 ? O1 CIT D 103 mHIS~D 77 -53.08 -48.86 -4.19 -53.66 -48.13 -4.56 -50.62 -49.25 -4.21 -49.83 -50.16 -4.13 -51.97 -49.44 -4.91 -51.84 -48.90 -6.32 3 0 -6.06-999 ?-999 ?-999 ? O1 CIT D 103s mGLN~D 78 -50.37 -48.04 -3.74 -51.06 -47.37 -4.00 -48.99 -48.59 -1.64 -47.86 -48.99 -1.32 -49.20 -47.73 -2.91 -49.25 -46.24 -2.54 2 0 7.30-999 ?-999 ?-999 ? O1 CIT D 103 mARG~D 79 -50.06 -48.90 -0.93 -50.93 -48.49 -1.20 -49.54 -51.21 -0.25 -48.67 -51.83 0.34 -49.89 -49.80 0.18 -51.13 -49.86 1.05 2 0 8.82-999 ?-999 ?-999 ? O1 CIT D 103 mALA~D 80 -50.24 -51.71 -1.27 -50.86 -51.05 -1.67 -48.74 -53.30 -2.39 -48.16 -54.35 -2.24 -50.09 -53.10 -1.75 -51.22 -53.48 -2.77 2 0 6.42-999 ?-999 ?-999 ? O1 CIT D 103 mGLY~D 81 -48.29 -52.28 -3.12 -48.95 -51.54 -3.23 -45.89 -52.36 -2.67 -44.86 -53.01 -2.92 -46.98 -52.24 -3.70-999.99-999.99-999.99 1 0 3.79-999 ?-999 ?-999 ? O7 CIT D 103 mGLY~D 82 -46.08 -51.73 -1.53 -46.92 -51.19 -1.50 -45.09 -53.23 0.18 -44.05 -53.72 0.60 -45.10 -51.83 -0.42-999.99-999.99-999.99 1 0 6.55-999 ?-999 ?-999 ? O7 CIT D 103 mMETD 83 -46.24 -53.87 0.21 -47.02 -53.36 -0.16 -45.70 -56.24 -0.15 -45.15 -57.21 0.36 -46.36 -55.20 0.75 -47.82 -55.56 0.98 2 0 8.30-999 ?-999 ?-999 ? O7 CIT D 103 mLEU~D 84 -45.77 -56.03 -1.47 -46.32 -55.23 -1.70 -43.58 -56.73 -2.40 -42.86 -57.71 -2.41 -45.11 -56.88 -2.47 -45.60 -56.52 -3.87 3 0 6.35-999 ?-999 ?-999 ? O7 CIT D 103 mVAL~D 85 -43.09 -55.50 -2.34 -43.78 -54.79 -2.43 -41.15 -55.92 -0.84 -40.19 -56.65 -0.86 -41.64 -55.25 -2.14 -41.36 -53.70 -2.18 3 0 5.89-999 ?-999 ?-999 ? O4 CIT D 103 mALA~D 86 -41.87 -55.72 0.27 -42.63 -55.09 0.14 -41.48 -57.90 1.50 -40.85 -58.51 2.35 -41.56 -56.37 1.55 -42.57 -55.96 2.61 2 0 9.74-999 ?-999 ?-999 ? O4 CIT D 103 mSER~D 87 -42.12 -58.50 0.51 -42.48 -57.85 -0.16 -41.42 -60.62 -0.64 -41.51 -61.83 -0.76 -42.31 -59.94 0.40 -43.76 -60.23 -0.01 2 0 10.66-999 ?-999 ?-999 ? O4 CIT D 103 mCYH.D 88 -40.61 -59.86 -1.38 -40.64 -58.89 -1.13 -38.30 -60.29 -2.20 -37.87 -59.44 -1.43 -39.77 -60.40 -2.46 -40.04 -59.69 -3.78 2 0 9.22-999 ?-999 ?-999 ? O4 CIT D 103 mARG.D 89 -37.54 -61.13 -2.91 -38.06 -61.69 -3.55 -35.42 -59.96 -3.23 -35.57 -59.57 -4.37 -36.10 -61.22 -2.78 -35.59 -62.38 -3.63 2 0 10.97-999 ?-999 ?-999 ? O4 CIT D 103 mASN~D 90 -34.64 -59.36 -2.34 -34.56 -59.88 -1.49 -34.97 -56.99 -2.94 -34.69 -56.12 -3.75 -33.96 -58.06 -2.55 -32.84 -58.19 -3.59 2 0 10.35-999 ?-999 ?-999 ? O4 CIT D 103 mGLY~D 91 -36.16 -57.08 -2.36 -36.25 -57.89 -1.78 -37.65 -55.94 -3.99 -38.05 -56.92 -4.62 -37.22 -56.09 -2.55-999.99-999.99-999.99 1 0 7.26-999 ?-999 ?-999 ? O4 CIT D 103 mALA~D 92 -37.54 -54.72 -4.51 -37.15 -54.05 -3.87 -37.16 -55.17 -6.93 -37.65 -55.35 -8.03 -37.94 -54.38 -5.87 -37.79 -52.88 -6.10 2 0 4.13-999 ?-999 ?-999 ? O4 CIT D 103 mASP~D 93 -35.96 -55.64 -6.59 -35.65 -55.37 -5.67 -35.77 -57.87 -7.76 -35.37 -58.52 -8.71 -35.16 -56.49 -7.48 -33.74 -56.68 -6.93 2 0 7.21-999 ?-999 ?-999 ? O4 CIT D 103 mGLY.D 94 -36.71 -58.31 -6.93 -36.92 -57.69 -6.17 -38.74 -59.40 -7.67 -39.63 -60.22 -7.44 -37.37 -59.60 -7.12-999.99-999.99-999.99 1 0 7.85-999 ?-999 ?-999 ? O4 CIT D 103 mILE^D 95 -38.93 -58.29 -8.38 -38.13 -57.68 -8.40 -39.86 -57.64 -10.54 -39.10 -56.70 -10.81 -40.20 -58.00 -9.07 -41.00 -56.86 -8.36 3 0 -5.48-999 ?-999 ?-999 ? O4 CIT D 103s mLEU^D 96 -40.38 -58.45 -11.46 -40.82 -59.26 -11.08 -41.58 -57.47 -13.36 -42.65 -58.00 -13.21 -40.31 -58.17 -12.90 -40.15 -59.46 -13.69 3 0 7.30-999 ?-999 ?-999 ? C4 CIT D 103 mVAL^D 97 -41.47 -56.27 -13.90 -40.54 -55.90 -13.88 -42.41 -55.44 -15.98 -41.31 -55.11 -16.43 -42.63 -55.58 -14.47 -42.94 -54.23 -13.77 3 0 6.36-999 ?-999 ?-999 ? C4 CIT D 103 mVAL^D 98 -43.47 -55.76 -16.73 -44.24 -56.09 -16.17 -44.80 -54.82 -18.48 -45.86 -55.02 -17.87 -43.56 -55.67 -18.17 -43.74 -57.10 -18.82 3 0 9.05-999 ?-999 ?-999 ? O6 CIT D 103 mASP^D 99 -44.66 -53.83 -19.36 -43.72 -53.70 -19.69 -45.93 -53.10 -21.32 -45.35 -52.32 -22.03 -45.79 -53.00 -19.81 -45.56 -51.53 -19.41 2 0 9.53-999 ?-999 ?-999 ? O6 CIT D 103 mLEU^D 100 -46.69 -54.08 -21.79 -47.10 -54.65 -21.09 -47.90 -53.31 -23.83 -49.04 -53.30 -23.39 -46.87 -54.29 -23.23 -47.31 -55.74 -23.54 3 0 13.20-999 ?-999 ?-999 ? O6 CIT D 103 mGLU^D 101 -47.51 -52.53 -24.84 -46.54 -52.58 -25.06 -49.09 -52.47 -26.69 -48.46 -52.70 -27.70 -48.45 -51.67 -25.55 -47.77 -50.43 -26.12 2 0 15.42-999 ?-999 ?-999 ? O6 CIT D 103 mVAL^D 102 -50.35 -52.86 -26.49 -50.76 -52.40 -25.69 -52.31 -53.20 -27.95 -52.65 -52.01 -27.71 -51.08 -53.84 -27.32 -51.59 -55.10 -26.50 3 0 16.60-999 ?-999 ?-999 ? O1 CIT C 104 mGLN.E -1 -43.51 -89.88 -63.50 -43.50 -90.42 -64.34 -42.47 -89.60 -61.28 -42.79 -90.38 -60.36 -43.53 -89.06 -62.25 -44.93 -89.06 -61.60 2 0 20.20-999 ?-999 ?-999 ? O2 CIT E 104 mGLY.E 0 -41.21 -89.16 -61.48 -41.15 -88.43 -62.17 -39.69 -89.07 -59.42 -40.56 -88.51 -58.72 -40.04 -89.68 -60.78-999.99-999.99-999.99 1 0 18.62-999 ?-999 ?-999 ? O2 CIT E 104 mMETE 1 -38.42 -89.20 -59.05 -37.85 -89.61 -59.76 -37.61 -87.34 -57.69 -37.25 -86.74 -58.71 -37.91 -88.80 -57.73 -36.61 -89.51 -57.40 2 0 15.59-999 ?-999 ?-999 ? O2 CIT E 104 mLEU.E 2 -37.71 -86.76 -56.49 -37.92 -87.39 -55.74 -36.33 -85.02 -55.43 -36.18 -85.56 -54.33 -37.53 -85.32 -56.32 -38.80 -84.65 -55.80 3 0 12.19-999 ?-999 ?-999 ? O2 CIT E 104 mTYR.E 3 -35.45 -84.18 -55.97 -35.69 -83.91 -56.90 -34.57 -82.28 -54.82 -34.52 -81.35 -55.59 -34.25 -83.70 -55.29 -32.99 -83.78 -56.21 3 0 10.76-999 ?-999 ?-999 ? O2 CIT E 104 mHIS.E 4 -34.96 -82.18 -53.54 -35.02 -83.06 -53.08 -34.01 -80.30 -52.27 -33.49 -80.72 -51.19 -35.28 -80.96 -52.85 -36.25 -81.33 -51.75 3 0 -7.08-999 ?-999 ?-999 ? O2 CIT E 104s mLEU.E 5 -33.53 -79.28 -52.98 -34.06 -79.07 -53.80 -32.66 -77.20 -51.90 -33.40 -76.39 -52.44 -32.32 -78.54 -52.57 -31.38 -78.33 -53.79 3 0 7.51-999 ?-999 ?-999 ? O2 CIT E 104 mVAL.E 6 -32.11 -76.97 -50.72 -31.54 -77.73 -50.38 -30.97 -75.07 -49.67 -30.05 -75.67 -49.06 -32.31 -75.74 -49.97 -33.15 -75.99 -48.68 3 0 -6.03-999 ?-999 ?-999 ? O2 CIT E 104s mMETE 7 -30.84 -73.85 -50.18 -31.64 -73.53 -50.68 -30.02 -71.82 -49.23 -31.07 -71.18 -49.50 -29.63 -73.05 -50.02 -29.03 -72.63 -51.38 2 0 8.51-999 ?-999 ?-999 ? O7 CIT E 104 mLEU.E 8 -29.19 -71.50 -48.25 -28.30 -71.96 -48.32 -28.66 -69.34 -47.26 -27.45 -69.48 -47.48 -29.56 -70.58 -47.18 -29.38 -71.26 -45.81 3 0 8.30-999 ?-999 ?-999 ? O7 CIT E 104 mGLU.E 9 -29.26 -68.15 -47.10 -30.26 -68.20 -47.12 -28.55 -66.39 -45.47 -29.41 -65.57 -45.15 -28.50 -66.89 -46.92 -29.06 -65.76 -47.78 2 0 9.75-999 ?-999 ?-999 ? O2 EDO C 103 mPRO.E 10 -27.65 -66.87 -44.59 -26.96 -67.49 -44.98 -27.54 -64.99 -42.95 -26.73 -64.38 -43.62 -27.72 -66.49 -43.16 -26.58 -67.28 -42.51 3 0 9.14-999 ?-999 ?-999 ? O2 EDO C 103 mGLU.E 11 -28.33 -64.41 -42.05 -29.03 -65.00 -41.66 -28.10 -62.90 -40.20 -29.09 -63.15 -39.49 -28.17 -63.01 -41.70 -29.34 -62.15 -42.17 2 0 -6.59-999 ?-999 ?-999 ? O2 EDO C 103s mGLY.E 12 -26.93 -62.52 -39.70 -26.16 -62.53 -40.34 -25.76 -62.85 -37.53 -25.22 -63.89 -37.98 -26.84 -62.13 -38.29-999.99-999.99-999.99 1 0 8.67-999 ?-999 ?-999 ? O2 EDO C 103 mGLU.E 13 -25.43 -62.24 -36.38 -25.76 -61.30 -36.31 -25.58 -64.01 -34.87 -26.73 -63.73 -34.42 -24.65 -62.89 -35.34 -24.34 -61.92 -34.19 2 0 12.30-999 ?-999 ?-999 ? O2 EDO C 103 mGLY~E 14 -25.13 -65.26 -35.02 -24.26 -65.34 -35.53 -26.83 -67.03 -35.44 -27.55 -67.93 -35.07 -25.87 -66.39 -34.48-999.99-999.99-999.99 1 0 13.52-999 ?-999 ?-999 ? O2 EDO C 103 mALA~E 15 -26.86 -66.55 -36.68 -26.30 -65.73 -36.81 -27.21 -68.61 -38.03 -28.03 -69.49 -38.07 -27.65 -67.17 -37.74 -27.59 -66.33 -38.97 2 0 11.15-999 ?-999 ?-999 ? O2 EDO C 103 mMETE 16 -25.91 -68.84 -38.23 -25.34 -68.03 -38.23 -25.68 -71.10 -37.22 -25.93 -72.30 -37.42 -25.41 -70.20 -38.42 -23.91 -70.23 -38.74 2 0 14.32-999 ?-999 ?-999 ? O2 EDO C 103 mASP~E 17 -25.62 -70.54 -36.00 -25.37 -69.57 -36.01 -27.30 -71.83 -34.73 -27.50 -72.97 -34.33 -25.89 -71.27 -34.78 -25.66 -70.40 -33.55 2 0 15.24-999 ?-999 ?-999 ? O4 CIT C 104 mARG~E 18 -28.27 -71.00 -35.14 -27.95 -70.09 -35.39 -29.91 -72.40 -36.34 -30.76 -73.29 -36.22 -29.68 -71.39 -35.21 -30.56 -70.17 -35.50 2 0 12.20-999 ?-999 ?-999 ? O4 CIT C 104 mILE~E 19 -29.18 -72.23 -37.44 -28.56 -71.45 -37.40 -28.84 -74.54 -38.25 -29.43 -75.53 -38.71 -29.31 -73.12 -38.60 -28.60 -72.58 -39.91 3 0 11.00-999 ?-999 ?-999 ? O1 CIT E 104 mMETE 20 -27.81 -74.62 -37.44 -27.41 -73.74 -37.19 -28.24 -76.58 -35.95 -28.23 -77.79 -35.86 -27.32 -75.91 -36.96 -25.92 -75.75 -36.34 2 0 10.99-999 ?-999 ?-999 ? C2 EDO E 103 mGLU~E 21 -29.02 -75.82 -35.19 -28.83 -74.83 -35.25 -31.12 -77.02 -35.24 -31.68 -78.07 -34.96 -30.05 -76.42 -34.35 -30.68 -75.39 -33.39 2 0 11.98-999 ?-999 ?-999 ? O4 CIT C 104 mALA~E 22 -31.43 -76.31 -36.30 -30.89 -75.47 -36.39 -32.01 -78.01 -37.96 -32.81 -78.92 -38.19 -32.47 -76.71 -37.25 -32.71 -75.57 -38.23 2 0 9.41-999 ?-999 ?-999 ? O1 CIT E 104 mMETE 23 -30.73 -78.11 -38.28 -30.20 -77.29 -38.06 -30.25 -80.57 -37.97 -30.62 -81.65 -38.42 -30.16 -79.32 -38.90 -28.69 -79.07 -39.26 2 0 8.12-999 ?-999 ?-999 ? C1 EDO E 103 mALA~E 24 -29.95 -80.39 -36.68 -29.53 -79.50 -36.50 -31.63 -81.85 -35.57 -31.88 -83.04 -35.42 -30.19 -81.37 -35.63 -29.78 -80.79 -34.30 2 0 9.01-999 ?-999 ?-999 ? C1 EDO E 103 mILE~E 25 -32.59 -80.94 -35.68 -32.23 -80.02 -35.79 -34.40 -82.11 -36.89 -35.24 -83.04 -36.83 -34.03 -81.29 -35.65 -34.95 -80.00 -35.60 3 0 11.20-999 ?-999 ?-999 ? C1 EDO E 103 mLEU~E 26 -33.81 -81.74 -38.02 -33.20 -80.95 -37.94 -33.38 -83.82 -39.35 -33.98 -84.75 -39.87 -34.06 -82.44 -39.27 -33.66 -81.57 -40.46 3 0 8.93-999 ?-999 ?-999 ? C1 EDO E 103 mASP~E 27 -32.14 -83.94 -38.84 -31.72 -83.07 -38.59 -32.30 -86.24 -37.90 -32.34 -87.40 -38.24 -31.47 -85.22 -38.67 -30.18 -85.04 -37.85 2 0 6.51-999 ?-999 ?-999 ? C1 EDO E 103 mGLY~E 28 -32.92 -85.80 -36.81 -32.67 -84.86 -36.59 -35.17 -86.94 -36.69 -35.70 -88.01 -36.45 -33.85 -86.59 -36.02-999.99-999.99-999.99 1 0 10.11-999 ?-999 ?-999 ? C1 EDO E 103 mLEU~E 29 -35.70 -86.06 -37.54 -35.15 -85.24 -37.66 -36.83 -87.26 -39.42 -37.69 -88.13 -39.63 -36.97 -86.31 -38.22 -37.60 -84.97 -38.66 3 0 11.55-999 ?-999 ?-999 ? C1 EDO E 103 mALA~E 30 -35.76 -87.10 -40.19 -35.09 -86.47 -39.80 -35.87 -89.31 -41.46 -36.66 -89.78 -42.29 -35.57 -87.78 -41.46 -34.16 -87.50 -42.00 2 0 9.47-999 ?-999 ?-999 ? O1 EDO E 103 mPRO~E 31 -35.31 -90.07 -40.51 -34.68 -89.57 -39.91 -37.06 -91.88 -40.15 -37.49 -92.98 -40.47 -35.58 -91.51 -40.35 -34.80 -91.89 -39.08 3 0 10.79-999 ?-999 ?-999 ? O1 EDO E 103 mGLU~E 32 -37.83 -90.95 -39.60 -37.34 -90.10 -39.39 -40.12 -90.87 -40.57 -41.30 -91.15 -40.57 -39.25 -91.14 -39.34 -39.68 -90.21 -38.21 2 0 14.19-999 ?-999 ?-999 ? O1 EDO E 103 mLEU~E 33 -39.54 -90.29 -41.62 -38.56 -90.15 -41.50 -39.99 -90.94 -43.93 -38.85 -91.03 -44.46 -40.29 -89.91 -42.82 -39.93 -88.48 -43.25 3 0 13.32-999 ?-999 ?-999 ? O2 CIT E 104 mPRO.E 34 -40.97 -91.82 -44.20 -41.87 -91.63 -43.82 -40.26 -92.67 -46.48 -39.43 -93.38 -47.07 -40.62 -92.99 -45.02 -41.87 -93.90 -44.93 3 0 15.72-999 ?-999 ?-999 ? O1 EDO E 103 mGLY.E 35 -40.86 -91.63 -47.06 -41.53 -91.16 -46.49 -39.27 -90.39 -48.58 -38.90 -90.04 -49.67 -40.51 -91.26 -48.44-999.99-999.99-999.99 1 0 14.13-999 ?-999 ?-999 ? O2 CIT E 104 mLEU^E 36 -38.65 -89.97 -47.48 -39.11 -90.22 -46.62 -36.26 -90.23 -47.44 -35.92 -90.71 -46.35 -37.41 -89.23 -47.53 -37.36 -88.26 -46.35 3 0 11.62-999 ?-999 ?-999 ? O2 CIT E 104 mTHR^E 37 -35.67 -90.57 -48.59 -35.96 -90.06 -49.41 -33.24 -91.13 -48.26 -32.37 -91.93 -47.90 -34.67 -91.61 -48.59 -34.75 -92.43 -49.90 2 0 11.09-999 ?-999 ?-999 ? O1 EDO E 103 mGLU^E 38 -32.99 -89.83 -48.32 -33.79 -89.26 -48.53 -31.74 -87.86 -47.67 -32.50 -87.08 -48.26 -31.65 -89.31 -48.08 -30.81 -89.47 -49.33 2 0 7.69-999 ?-999 ?-999 ? O1 EDO E 103 mPHE^E 39 -31.01 -87.53 -46.61 -30.54 -88.30 -46.18 -29.41 -85.87 -45.93 -28.75 -86.50 -45.14 -30.88 -86.18 -46.13 -31.61 -86.02 -44.81 3 0 -5.48-999 ?-999 ?-999 ? O1 EDO E 103s mARG^E 40 -28.90 -84.86 -46.63 -29.56 -84.43 -47.24 -27.43 -82.93 -46.44 -28.04 -82.24 -47.22 -27.52 -84.44 -46.49 -26.76 -84.90 -47.74 2 0 -3.27-999 ?-999 ?-999 ? O2 EDO E 103s mHIS^E 41 -26.60 -82.42 -45.56 -26.11 -83.10 -45.02 -24.98 -80.69 -45.15 -24.27 -81.55 -44.72 -26.43 -80.98 -45.42 -27.30 -80.45 -44.29 3 0 -4.03-999 ?-999 ?-999 ? O2 EDO E 103s mGLY^E 42 -24.53 -79.47 -45.42 -25.21 -78.84 -45.79 -22.77 -77.76 -45.66 -23.59 -77.10 -46.31 -23.13 -79.15 -45.19-999.99-999.99-999.99 1 0 5.78-999 ?-999 ?-999 ? O2 EDO E 103 mPRO^E 43 -21.55 -77.29 -45.33 -20.99 -77.87 -44.74 -20.91 -76.05 -47.36 -20.56 -77.10 -47.95 -21.13 -76.01 -45.85 -19.86 -75.71 -45.07 3 0 9.50-999 ?-999 ?-999 ? O2 EDO E 103 mASN.E 44 -21.18 -74.92 -48.00 -21.57 -74.21 -47.41 -19.53 -74.27 -49.59 -19.21 -73.14 -49.25 -20.94 -74.76 -49.42 -21.95 -73.76 -50.02 2 0 11.71-999 ?-999 ?-999 ? O2 EDO E 103 mARG.E 45 -18.68 -75.16 -50.10 -19.10 -76.05 -50.26 -17.10 -74.04 -51.66 -16.08 -73.42 -51.81 -17.28 -74.86 -50.39 -16.52 -76.16 -50.60 2 0 12.89-999 ?-999 ?-999 ? O7 CIT F 104 mASP.E 46 -18.06 -74.08 -52.60 -18.76 -74.78 -52.44 -16.68 -72.97 -54.34 -16.13 -71.88 -54.32 -18.06 -73.17 -53.75 -18.60 -71.82 -53.29 2 0 9.94-999 ?-999 ?-999 ? O7 CIT F 104 mPHE.E 47 -16.10 -74.03 -54.89 -16.69 -74.84 -54.96 -14.50 -73.08 -56.57 -13.39 -72.58 -56.79 -14.70 -73.96 -55.35 -14.16 -75.35 -55.61 3 0 9.00-999 ?-999 ?-999 ? O7 CIT F 104 mGLU.E 48 -15.57 -72.86 -57.32 -16.37 -73.39 -57.05 -16.04 -70.50 -58.12 -16.05 -69.64 -59.00 -15.55 -71.92 -58.45 -16.39 -72.49 -59.58 2 0 -7.14-999 ?-999 ?-999 ? O7 CIT F 104s mGLN.E 49 -16.45 -70.25 -56.88 -16.39 -71.03 -56.26 -18.12 -68.49 -57.35 -18.16 -67.37 -57.83 -16.92 -68.93 -56.49 -15.80 -67.90 -56.62 2 0 9.63-999 ?-999 ?-999 ? C4 CIT F 104 mLYS.E 50 -19.09 -69.39 -57.53 -18.92 -70.26 -57.08 -21.56 -69.22 -57.51 -22.64 -69.45 -58.08 -20.28 -69.11 -58.33 -20.36 -70.04 -59.56 2 0 -7.84-999 ?-999 ?-999 ? C4 CIT F 104s mSER.E 51 -21.44 -69.08 -56.19 -20.50 -68.90 -55.89 -22.19 -68.64 -53.87 -22.54 -69.23 -52.84 -22.56 -69.18 -55.26 -23.02 -70.64 -55.14 2 0 9.86-999 ?-999 ?-999 ? O1 EDO F 103 mGLU.E 52 -21.47 -67.52 -53.82 -21.31 -67.10 -54.72 -22.12 -66.54 -51.58 -21.99 -66.58 -50.37 -20.97 -66.96 -52.56 -20.01 -65.80 -52.85 2 0 11.90-999 ?-999 ?-999 ? O1 EDO F 103 mARG.E 53 -23.26 -66.18 -52.16 -23.19 -66.15 -53.15 -24.97 -66.94 -50.44 -25.64 -66.64 -49.44 -24.49 -65.86 -51.44 -25.56 -65.68 -52.51 2 0 9.49-999 ?-999 ?-999 ? O1 EDO F 103 mTYR.E 54 -24.65 -68.20 -50.74 -23.98 -68.28 -51.48 -24.15 -70.23 -49.37 -23.73 -71.24 -49.93 -25.22 -69.35 -50.05 -26.00 -70.21 -51.03 3 0 10.28-999 ?-999 ?-999 ? O1 EDO F 103 mPRO.E 55 -23.75 -69.87 -48.14 -24.24 -69.09 -47.76 -23.00 -71.96 -46.90 -22.10 -72.71 -46.53 -22.66 -70.58 -47.45 -22.32 -69.65 -46.28 3 0 14.12-999 ?-999 ?-999 ? O1 EDO F 103 mTYR^E 56 -24.28 -72.27 -46.80 -24.90 -71.57 -47.15 -25.95 -73.98 -47.01 -26.75 -73.16 -47.53 -24.72 -73.51 -46.24 -25.01 -73.35 -44.73 3 0 11.23-999 ?-999 ?-999 ? O2 EDO E 103 mGLY^E 57 -26.13 -75.29 -47.13 -25.34 -75.85 -46.86 -27.62 -77.27 -47.38 -26.76 -77.93 -46.75 -27.44 -75.79 -47.63-999.99-999.99-999.99 1 0 9.68-999 ?-999 ?-999 ? O2 EDO E 103 mPHE^E 58 -28.72 -77.80 -47.92 -29.30 -77.17 -48.43 -29.85 -79.78 -48.88 -30.41 -79.05 -49.70 -29.00 -79.21 -47.77 -29.65 -79.50 -46.40 3 0 7.50-999 ?-999 ?-999 ? O2 EDO E 103 mLEU^E 59 -29.92 -81.11 -48.90 -29.40 -81.54 -48.16 -31.51 -82.98 -49.27 -31.02 -83.79 -48.49 -30.67 -81.87 -49.90 -29.71 -82.47 -50.91 3 0 8.30-999 ?-999 ?-999 ? O2 CIT E 104 mCYH^E 60 -32.78 -82.99 -49.62 -33.07 -82.17 -50.11 -34.03 -84.83 -50.60 -34.45 -84.22 -51.54 -33.67 -84.09 -49.32 -34.94 -83.57 -48.68 2 0 7.73-999 ?-999 ?-999 ? O2 CIT E 104 mTHR^E 61 -33.86 -86.14 -50.60 -33.42 -86.49 -49.78 -35.64 -87.62 -51.34 -35.72 -88.33 -50.34 -34.29 -86.98 -51.72 -33.23 -88.07 -52.02 2 0 10.91-999 ?-999 ?-999 ? O2 CIT E 104 mPHE^E 62 -36.68 -87.34 -52.12 -36.46 -86.73 -52.88 -38.45 -88.84 -53.00 -38.15 -88.58 -54.16 -38.02 -87.87 -51.88 -39.04 -86.70 -51.83 3 0 11.44-999 ?-999 ?-999 ? O2 CIT E 104 mTHR.E 63 -39.18 -89.91 -52.64 -39.36 -89.98 -51.66 -40.70 -90.26 -54.55 -40.67 -90.51 -55.76 -39.67 -90.87 -53.60 -40.23 -92.15 -52.91 2 0 15.07-999 ?-999 ?-999 ? O2 CIT E 104 mASP~E 64 -41.60 -89.44 -54.03 -41.51 -89.32 -53.04 -43.08 -87.47 -54.19 -42.61 -87.11 -53.11 -42.61 -88.78 -54.84 -43.79 -89.73 -55.13 2 0 14.76-999 ?-999 ?-999 ? O2 CIT E 104 mLYS~E 65 -44.00 -86.78 -54.87 -44.31 -87.24 -55.70 -45.24 -85.59 -53.07 -45.14 -84.69 -52.23 -44.51 -85.48 -54.41 -45.38 -84.86 -55.50 2 0 13.14-999 ?-999 ?-999 ? O2 CIT E 104 mALA~E 66 -45.95 -86.69 -52.87 -45.97 -87.30 -53.66 -45.65 -87.10 -50.43 -45.97 -86.67 -49.32 -46.63 -87.00 -51.63 -47.44 -88.29 -51.81 2 0 14.17-999 ?-999 ?-999 ? O2 CIT E 104 mALA~E 67 -44.47 -87.67 -50.65 -44.35 -88.03 -51.57 -42.91 -86.37 -49.28 -42.66 -86.05 -48.12 -43.44 -87.76 -49.60 -42.32 -88.68 -50.03 2 0 12.25-999 ?-999 ?-999 ? O2 CIT E 104 mLEU~E 68 -42.76 -85.53 -50.31 -42.91 -85.96 -51.20 -43.44 -83.36 -49.31 -43.06 -82.59 -48.45 -42.40 -84.11 -50.12 -42.16 -83.41 -51.47 3 0 8.97-999 ?-999 ?-999 ? O2 CIT E 104 mASP~E 69 -44.71 -83.55 -49.61 -44.84 -84.21 -50.35 -45.92 -83.25 -47.45 -46.17 -82.40 -46.60 -45.82 -82.85 -48.92 -47.17 -83.15 -49.59 2 0 9.99-999 ?-999 ?-999 ? O6 CIT E 104 mALA~E 70 -45.76 -84.55 -47.17 -45.64 -85.11 -47.99 -44.62 -84.49 -44.98 -44.81 -84.07 -43.85 -45.75 -85.11 -45.81 -45.60 -86.59 -45.87 2 0 11.36-999 ?-999 ?-999 ? O6 CIT E 104 mTYR~E 71 -43.44 -84.41 -45.57 -43.41 -84.86 -46.46 -42.62 -82.24 -44.66 -42.31 -81.78 -43.57 -42.31 -83.71 -44.95 -41.07 -83.85 -45.84 3 0 -8.23-999 ?-999 ?-999 ? O2 CIT E 104s mALA~E 72 -43.20 -81.53 -45.65 -43.40 -82.09 -46.45 -44.42 -79.75 -44.41 -44.10 -78.85 -43.61 -43.51 -80.10 -45.58 -44.16 -79.64 -46.88 2 0 5.90-999 ?-999 ?-999 ? O6 CIT E 104 mVAL~E 73 -45.52 -80.49 -44.30 -45.55 -81.22 -44.99 -46.22 -80.82 -41.92 -46.75 -80.36 -40.91 -46.58 -80.28 -43.29 -47.97 -80.92 -43.72 3 0 8.39-999 ?-999 ?-999 ? O6 CIT E 104 mHIS~E 74 -45.33 -81.79 -41.86 -44.97 -82.09 -42.74 -44.62 -81.23 -39.57 -43.89 -80.31 -39.89 -44.92 -82.35 -40.58 -43.71 -83.27 -40.73 3 0 9.98-999 ?-999 ?-999 ? O6 CIT E 104 mPRO~E 75 -45.20 -81.29 -38.35 -45.82 -82.06 -38.19 -43.45 -80.02 -36.97 -43.10 -78.89 -36.64 -44.91 -80.26 -37.36 -45.71 -80.71 -36.13 3 0 10.80-999 ?-999 ?-999 ? O6 CIT E 104 mTHR~E 76 -42.65 -81.07 -36.93 -43.11 -81.93 -37.14 -40.47 -80.30 -37.77 -39.50 -79.57 -37.54 -41.22 -80.95 -36.62 -40.57 -82.34 -36.30 2 0 10.43-999 ?-999 ?-999 ? O1 CIT E 104 mHIS~E 77 -40.90 -80.58 -39.01 -41.61 -81.28 -39.09 -40.67 -78.38 -40.03 -39.79 -77.53 -40.17 -40.35 -79.88 -40.12 -40.82 -80.42 -41.48 3 0 -6.82-999 ?-999 ?-999 ? O1 CIT E 104s mGLN~E 78 -41.93 -78.05 -39.80 -42.56 -78.82 -39.71 -41.53 -75.88 -38.67 -41.21 -74.71 -38.90 -42.33 -76.66 -39.70 -43.81 -76.58 -39.40 2 0 6.38-999 ?-999 ?-999 ? O5 CIT E 104 mARG~E 79 -41.20 -76.50 -37.54 -41.53 -77.44 -37.46 -39.06 -75.47 -37.03 -38.63 -74.34 -36.93 -40.43 -75.83 -36.50 -40.29 -76.69 -35.26 2 0 -8.06-999 ?-999 ?-999 ? O5 CIT C 104s mALA~E 80 -38.40 -76.46 -37.63 -38.87 -77.34 -37.55 -37.21 -75.27 -39.49 -36.34 -74.44 -39.64 -37.12 -76.28 -38.33 -36.63 -77.60 -38.82 2 0 6.89-999 ?-999 ?-999 ? O1 CIT E 104 mGLY~E 81 -38.25 -75.36 -40.32 -38.81 -76.18 -40.17 -38.70 -72.92 -40.84 -38.23 -72.02 -41.50 -38.55 -74.37 -41.34-999.99-999.99-999.99 1 0 -3.27-999 ?-999 ?-999 ? O5 CIT E 104s mGLY~E 82 -39.37 -72.69 -39.70 -39.80 -73.49 -39.28 -38.06 -70.87 -38.69 -37.72 -69.71 -38.88 -39.44 -71.36 -39.13-999.99-999.99-999.99 1 0 5.88-999 ?-999 ?-999 ? O5 CIT E 104 mMETE 83 -37.27 -71.76 -38.10 -37.68 -72.66 -37.96 -35.05 -70.92 -38.89 -34.35 -69.90 -38.82 -35.89 -71.39 -37.70 -35.17 -72.53 -37.00 2 0 7.93-999 ?-999 ?-999 ? O5 CIT E 104 mLEU~E 84 -35.12 -71.65 -39.99 -35.74 -72.43 -39.93 -34.81 -70.02 -41.79 -33.99 -69.22 -42.19 -34.35 -71.30 -41.16 -34.35 -72.46 -42.18 3 0 6.34-999 ?-999 ?-999 ? O7 CIT E 104 mVAL~E 85 -36.13 -69.80 -41.86 -36.69 -70.57 -41.55 -36.23 -67.29 -41.52 -35.81 -66.30 -42.07 -36.68 -68.52 -42.35 -38.25 -68.55 -42.42 3 0 -5.43-999 ?-999 ?-999 ? O3 CIT E 104s mALA~E 86 -36.34 -67.38 -40.19 -36.74 -68.24 -39.88 -34.40 -66.16 -39.22 -33.93 -65.17 -38.67 -35.91 -66.33 -39.29 -36.49 -66.55 -37.85 2 0 8.36-999 ?-999 ?-999 ? O2 EDO C 103 mSER~E 87 -33.64 -67.11 -39.76 -34.17 -67.88 -40.11 -31.63 -66.45 -41.12 -30.43 -66.20 -41.24 -32.17 -67.03 -39.81 -31.58 -68.42 -39.65 2 0 8.48-999 ?-999 ?-999 ? O2 EDO C 103 mCYH.E 88 -32.49 -66.24 -42.11 -33.45 -66.37 -41.85 -32.44 -64.39 -43.77 -33.43 -63.85 -43.27 -32.06 -65.83 -43.44 -32.60 -66.81 -44.48 2 0 6.63-999 ?-999 ?-999 ? O2 EDO C 103 mARG.E 89 -31.60 -63.79 -44.60 -30.85 -64.38 -44.91 -33.05 -62.26 -45.77 -33.32 -62.96 -46.72 -31.74 -62.43 -45.03 -30.57 -62.04 -45.94 2 0 -3.97-999 ?-999 ?-999 ? O2 EDO C 103s mASN~E 90 -33.85 -61.32 -45.31 -33.43 -60.77 -44.59 -36.16 -62.28 -45.61 -37.17 -62.41 -46.33 -35.22 -61.10 -45.80 -35.23 -60.67 -47.27 2 0 -3.61-999 ?-999 ?-999 ? O2 EDO C 103s mGLY~E 91 -35.83 -63.13 -44.63 -34.97 -62.91 -44.17 -36.69 -65.36 -45.34 -35.66 -65.84 -45.78 -36.66 -64.27 -44.28-999.99-999.99-999.99 1 0 5.97-999 ?-999 ?-999 ? O2 EDO C 103 mALA~E 92 -37.91 -65.72 -45.73 -38.63 -65.19 -45.28 -37.59 -66.42 -48.04 -37.31 -67.31 -48.83 -38.18 -66.76 -46.70 -39.69 -66.96 -46.85 2 0 4.06-999 ?-999 ?-999 ? O3 CIT E 104 mASP~E 93 -37.42 -65.12 -48.30 -37.78 -64.51 -47.59 -35.26 -64.84 -49.57 -34.68 -64.62 -50.62 -36.78 -64.64 -49.53 -37.09 -63.16 -49.76 2 0 6.92-999 ?-999 ?-999 ? O3 CIT E 104 mGLY.E 94 -34.60 -65.21 -48.47 -35.20 -65.30 -47.67 -32.86 -66.94 -48.55 -31.80 -67.39 -48.11 -33.14 -65.45 -48.47-999.99-999.99-999.99 1 0 7.76-999 ?-999 ?-999 ? O3 CIT E 104 mILE^E 95 -33.84 -67.69 -49.07 -34.62 -67.16 -49.39 -34.12 -69.55 -50.58 -35.22 -69.25 -51.04 -33.77 -69.16 -49.15 -34.75 -69.87 -48.19 3 0 -5.52-999 ?-999 ?-999 ? O3 CIT E 104s mLEU^E 96 -33.15 -70.16 -51.28 -32.27 -70.19 -50.81 -33.81 -72.18 -52.47 -33.08 -72.95 -51.88 -33.38 -70.73 -52.60 -32.10 -70.65 -53.43 3 0 6.12-999 ?-999 ?-999 ? C1 EDO F 103 mVAL^E 97 -34.99 -72.53 -52.98 -35.48 -71.76 -53.40 -35.72 -74.41 -54.38 -36.56 -73.87 -55.15 -35.53 -73.89 -52.95 -36.84 -74.02 -52.16 3 0 6.38-999 ?-999 ?-999 ? C2 CIT E 104 mVAL^E 98 -34.94 -75.45 -54.72 -34.32 -75.72 -53.98 -35.62 -77.52 -55.81 -35.43 -78.17 -54.78 -34.98 -76.13 -56.01 -33.55 -76.20 -56.62 3 0 9.23-999 ?-999 ?-999 ? C2 CIT E 104 mASP^E 99 -36.46 -77.93 -56.75 -36.60 -77.25 -57.47 -36.89 -79.93 -58.07 -37.74 -79.85 -58.99 -37.12 -79.24 -56.72 -38.61 -79.08 -56.42 2 0 9.97-999 ?-999 ?-999 ? O2 CIT E 104 mLEU^E 100 -35.74 -80.59 -58.20 -35.17 -80.57 -57.39 -36.08 -82.62 -59.55 -35.97 -83.43 -58.63 -35.40 -81.27 -59.46 -33.88 -81.47 -59.62 3 0 13.21-999 ?-999 ?-999 ? O2 CIT E 104 mGLU^E 101 -36.80 -82.85 -60.66 -36.89 -82.06 -61.26 -36.44 -84.99 -61.79 -36.24 -84.67 -62.93 -37.40 -84.15 -60.94 -38.77 -84.02 -61.61 2 0 15.50-999 ?-999 ?-999 ? O2 CIT E 104 mVAL^E 102 -35.88 -86.05 -61.21 -36.33 -86.31 -60.35 -34.91 -88.30 -61.79 -35.76 -88.89 -61.09 -34.72 -86.78 -61.75 -33.41 -86.53 -60.93 3 0 16.81-999 ?-999 ?-999 ? O2 CIT F 104 mGLY.F 0 -15.57 -83.97 -46.61 -15.52 -83.01 -46.32 -16.25 -85.54 -48.44 -15.61 -85.13 -49.40 -15.65 -85.40 -47.05-999.99-999.99-999.99 1 0 9.67-999 ?-999 ?-999 ? O2 EDO E 103 mMETF 1 -17.46 -86.13 -48.51 -17.78 -86.43 -47.61 -18.81 -84.98 -50.28 -19.32 -84.18 -49.49 -18.26 -86.31 -49.76 -19.42 -87.25 -49.46 2 0 8.67-999 ?-999 ?-999 ? O2 EDO E 103 mLEU.F 2 -18.66 -84.72 -51.58 -18.28 -85.49 -52.10 -20.21 -83.56 -53.13 -20.20 -84.39 -54.04 -19.03 -83.43 -52.18 -17.84 -82.79 -52.93 3 0 9.76-999 ?-999 ?-999 ? O2 EDO E 103 mTYR.F 3 -21.23 -82.73 -52.89 -21.11 -82.17 -52.07 -22.31 -81.38 -54.61 -22.48 -80.27 -54.13 -22.42 -82.65 -53.75 -23.70 -82.68 -52.90 3 0 9.79-999 ?-999 ?-999 ? O2 EDO E 103 mHIS.F 4 -22.00 -81.59 -55.87 -21.93 -82.56 -56.11 -23.06 -80.33 -57.61 -23.37 -81.11 -58.48 -21.76 -80.54 -56.83 -20.61 -81.02 -57.74 3 0 -7.30-999 ?-999 ?-999 ? O2 CIT F 104s mLEU.F 5 -23.80 -79.29 -57.27 -23.39 -78.75 -56.53 -24.92 -77.81 -58.86 -24.32 -76.81 -58.51 -25.08 -78.95 -57.91 -26.14 -78.56 -56.88 3 0 7.67-999 ?-999 ?-999 ? O2 CIT F 104 mVAL.F 6 -25.48 -77.97 -60.05 -25.92 -78.86 -60.17 -26.87 -76.61 -61.52 -27.64 -77.48 -61.96 -25.45 -76.97 -61.08 -24.62 -77.43 -62.26 3 0 6.27-999 ?-999 ?-999 ? O2 CIT F 104 mMETF 7 -27.20 -75.31 -61.36 -26.50 -74.77 -60.90 -28.23 -73.81 -63.02 -27.26 -73.03 -63.05 -28.49 -74.75 -61.83 -29.21 -74.03 -60.67 2 0 9.15-999 ?-999 ?-999 ? C2 CIT F 104 mLEU.F 8 -29.10 -73.93 -64.02 -29.90 -74.46 -63.75 -29.99 -72.35 -65.71 -31.15 -72.60 -65.37 -28.88 -73.33 -65.37 -28.86 -74.44 -66.44 3 0 9.02-999 ?-999 ?-999 ? O3 CIT F 104 mGLU.F 9 -29.63 -71.23 -66.34 -28.64 -71.09 -66.36 -30.49 -70.33 -68.48 -29.72 -69.53 -69.05 -30.59 -70.31 -66.95 -30.31 -68.89 -66.54 2 0 9.60-999 ?-999 ?-999 ? C2 EDO F 103 mPRO.F 10 -31.24 -71.22 -69.14 -31.88 -71.77 -68.61 -31.50 -70.06 -71.26 -32.48 -69.48 -70.84 -31.06 -71.33 -70.57 -31.97 -72.50 -70.95 3 0 12.15-999 ?-999 ?-999 ? O3 CIT F 104 mGLU.F 11 -30.76 -69.62 -72.29 -29.92 -70.16 -72.43 -30.74 -68.76 -74.54 -29.58 -69.09 -74.82 -31.12 -68.48 -73.12 -30.39 -67.20 -72.69 2 0 14.12-999 ?-999 ?-999 ? O3 CIT F 104 mGLY.F 12 -31.72 -68.61 -75.43 -32.62 -68.50 -75.01 -32.28 -69.69 -77.54 -32.86 -70.56 -76.89 -31.48 -68.61 -76.86-999.99-999.99-999.99 1 0 16.46-999 ?-999 ?-999 ? O3 CIT F 104 mGLU.F 13 -32.30 -69.63 -78.87 -31.92 -68.78 -79.24 -31.90 -71.91 -79.55 -30.68 -71.79 -79.72 -32.83 -70.70 -79.70 -32.91 -70.28 -81.19 2 0 18.82-999 ?-999 ?-999 ? O3 CIT F 104 mGLY~F 14 -32.50 -73.06 -79.22 -33.47 -72.97 -79.01 -30.99 -74.53 -77.89 -30.15 -75.43 -77.83 -31.78 -74.33 -79.17-999.99-999.99-999.99 1 0 17.47-999 ?-999 ?-999 ? O3 CIT F 104 mALA~F 15 -31.28 -73.71 -76.87 -32.05 -73.11 -77.06 -30.68 -75.04 -74.91 -29.67 -75.69 -74.64 -30.55 -73.71 -75.60 -31.05 -72.60 -74.70 2 0 14.08-999 ?-999 ?-999 ? O3 CIT F 104 mMETF 16 -31.92 -75.44 -74.62 -32.62 -74.77 -74.84 -31.69 -77.95 -74.86 -31.20 -78.93 -74.28 -32.20 -76.77 -74.03 -33.70 -76.97 -73.71 2 0 14.78-999 ?-999 ?-999 ? O3 CIT F 104 mASP~F 17 -31.81 -77.87 -76.17 -32.26 -77.05 -76.51 -29.80 -79.15 -76.77 -29.37 -80.28 -76.58 -31.28 -78.93 -77.03 -31.49 -78.63 -78.51 2 0 16.04-999 ?-999 ?-999 ? O1 CIT F 104 mARG~F 18 -29.05 -78.07 -76.74 -29.55 -77.23 -76.92 -27.35 -78.55 -75.00 -26.45 -79.34 -74.74 -27.62 -78.12 -76.46 -26.99 -76.76 -76.76 2 0 13.21-999 ?-999 ?-999 ? O1 CIT F 104 mILE~F 19 -28.16 -78.08 -74.05 -28.84 -77.41 -74.36 -28.25 -80.01 -72.50 -27.55 -80.67 -71.74 -28.01 -78.52 -72.67 -28.91 -77.72 -71.69 3 0 10.70-999 ?-999 ?-999 ? O1 CIT F 104 mMETF 20 -29.23 -80.55 -73.22 -29.75 -79.89 -73.76 -28.35 -82.82 -73.81 -28.14 -83.95 -73.37 -29.49 -81.99 -73.22 -30.81 -82.28 -73.92 2 0 12.61-999 ?-999 ?-999 ? O1 CIT F 104 mGLU~F 21 -27.62 -82.30 -74.80 -28.00 -81.46 -75.20 -25.34 -82.95 -74.18 -24.70 -83.97 -73.96 -26.38 -82.93 -75.26 -25.73 -82.15 -76.38 2 0 12.22-999 ?-999 ?-999 ? O1 CIT F 104 mALA~F 22 -25.13 -81.81 -73.54 -25.66 -81.05 -73.92 -24.50 -82.71 -71.29 -23.60 -83.26 -70.71 -24.19 -81.70 -72.40 -24.12 -80.23 -71.87 2 0 8.42-999 ?-999 ?-999 ? O1 CIT F 104 mMETF 23 -25.77 -82.99 -71.06 -26.40 -82.50 -71.67 -25.93 -85.36 -70.31 -25.63 -86.10 -69.40 -26.20 -83.92 -70.01 -27.71 -83.81 -69.76 2 0 9.23-999 ?-999 ?-999 ? O1 CIT F 104 mALA~F 24 -26.12 -85.77 -71.57 -26.54 -85.06 -72.14 -24.23 -87.32 -72.02 -23.72 -88.42 -71.65 -25.76 -87.10 -72.06 -26.27 -87.27 -73.51 2 0 11.99-999 ?-999 ?-999 ? O1 CIT F 104 mILE~F 25 -23.49 -86.32 -72.45 -24.02 -85.56 -72.84 -21.60 -86.58 -70.90 -20.77 -87.44 -70.64 -22.03 -86.36 -72.35 -21.38 -85.06 -72.89 3 0 10.25-999 ?-999 ?-999 ? O1 CIT F 104 mLEU~F 26 -22.17 -85.82 -69.95 -22.84 -85.16 -70.28 -22.28 -87.33 -67.97 -21.58 -87.93 -67.19 -21.82 -86.00 -68.55 -22.28 -84.82 -67.69 3 0 7.98-999 ?-999 ?-999 ? O1 CIT F 104 mASP~F 27 -23.45 -87.81 -68.39 -23.97 -87.19 -68.97 -22.98 -90.31 -68.50 -22.70 -91.24 -67.76 -23.89 -89.14 -68.00 -25.34 -89.34 -68.46 2 0 11.37-999 ?-999 ?-999 ? O1 CIT F 104 mGLY~F 28 -22.51 -90.26 -69.73 -22.92 -89.55 -70.29 -20.10 -91.10 -69.53 -19.32 -92.06 -69.57 -21.49 -91.20 -70.18-999.99-999.99-999.99 1 0 13.27-999 ?-999 ?-999 ? O1 CIT F 104 mLEU~F 29 -19.80 -89.97 -68.92 -20.55 -89.31 -68.90 -18.40 -90.26 -66.88 -17.35 -90.76 -66.49 -18.48 -89.74 -68.33 -18.08 -88.25 -68.44 3 0 11.33-999 ?-999 ?-999 ? O1 CIT F 104 mALA~F 30 -19.49 -90.18 -66.13 -20.25 -89.74 -66.61 -19.04 -92.12 -64.48 -18.24 -92.31 -63.55 -19.58 -90.69 -64.73 -21.00 -90.58 -64.23 2 0 11.96-999 ?-999 ?-999 ? O2 CIT F 104 mPRO~F 31 -19.46 -93.13 -65.29 -20.16 -92.90 -65.97 -17.42 -94.58 -65.42 -16.80 -95.55 -65.00 -18.91 -94.48 -65.17 -19.65 -95.28 -66.25 3 0 15.75-999 ?-999 ?-999 ? O1 CIT F 104 mGLU~F 32 -16.84 -93.60 -66.12 -17.48 -92.92 -66.48 -14.59 -92.85 -65.20 -13.36 -92.97 -65.14 -15.37 -93.55 -66.33 -15.05 -92.88 -67.66 2 0 15.44-999 ?-999 ?-999 ? O1 CIT F 104 mLEU~F 33 -15.30 -92.13 -64.34 -16.27 -92.06 -64.57 -15.09 -92.27 -61.88 -16.26 -92.24 -61.44 -14.72 -91.49 -63.16 -15.18 -90.04 -63.08 3 0 13.79-999 ?-999 ?-999 ? O2 CIT F 104 mPRO.F 34 -14.11 -93.02 -61.31 -13.23 -93.01 -61.79 -14.84 -92.97 -58.87 -15.54 -93.51 -58.02 -14.33 -93.79 -60.06 -12.95 -94.39 -59.75 3 0 16.47-999 ?-999 ?-999 ? O2 CIT F 104 mGLY.F 35 -14.49 -91.68 -58.83 -13.88 -91.39 -59.57 -16.29 -90.11 -58.02 -16.78 -89.48 -57.09 -14.95 -90.79 -57.80-999.99-999.99-999.99 1 0 14.32-999 ?-999 ?-999 ? O2 CIT F 104 mLEU^F 36 -16.87 -90.18 -59.22 -16.31 -90.60 -59.93 -19.19 -90.84 -59.31 -19.27 -91.71 -60.18 -18.24 -89.67 -59.44 -18.40 -89.01 -60.82 3 0 11.83-999 ?-999 ?-999 ? O2 CIT F 104 mTHR^F 37 -19.93 -90.86 -58.20 -19.91 -90.03 -57.64 -22.10 -91.93 -58.36 -22.73 -92.96 -58.53 -20.68 -92.02 -57.87 -20.64 -92.27 -56.36 2 0 14.48-999 ?-999 ?-999 ? O2 CIT F 104 mGLU^F 38 -22.60 -90.72 -58.59 -21.96 -89.97 -58.42 -24.05 -89.25 -59.86 -23.48 -88.26 -59.45 -23.98 -90.54 -59.06 -24.99 -90.50 -57.88 2 0 13.23-999 ?-999 ?-999 ? O2 CIT F 104 mPHE^F 39 -24.68 -89.31 -61.03 -24.93 -90.24 -61.30 -26.49 -88.15 -62.08 -27.04 -89.13 -62.48 -25.00 -88.15 -61.85 -24.30 -88.20 -63.22 3 0 10.74-999 ?-999 ?-999 ? O2 CIT F 104 mARG^F 40 -27.16 -87.04 -61.82 -26.58 -86.30 -61.48 -28.90 -85.59 -62.64 -28.24 -84.64 -62.31 -28.61 -86.94 -62.04 -29.37 -87.07 -60.70 2 0 11.94-999 ?-999 ?-999 ? O2 CIT F 104 mHIS^F 41 -29.89 -85.50 -63.51 -30.34 -86.36 -63.72 -31.75 -84.15 -64.37 -32.38 -85.14 -64.64 -30.26 -84.22 -64.11 -29.49 -84.00 -65.40 3 0 11.57-999 ?-999 ?-999 ? O2 CIT F 104 mGLY^F 42 -32.34 -82.97 -64.29 -31.76 -82.22 -63.98 -34.33 -81.47 -64.51 -33.65 -80.57 -64.06 -33.76 -82.86 -64.67-999.99-999.99-999.99 1 0 14.33-999 ?-999 ?-999 ? O2 CIT F 104 mPRO^F 43 -35.62 -81.30 -64.85 -36.09 -82.10 -65.23 -36.51 -79.67 -63.21 -36.85 -80.53 -62.41 -36.22 -80.00 -64.66 -37.52 -80.09 -65.47 3 0 14.24-999 ?-999 ?-999 ? O2 EDO F 103 mASN.F 44 -36.34 -78.39 -62.88 -35.92 -77.86 -63.61 -38.24 -77.54 -61.60 -38.72 -76.64 -62.26 -36.72 -77.82 -61.62 -35.95 -76.51 -61.43 2 0 11.15-999 ?-999 ?-999 ? O2 EDO F 103 mARG.F 45 -38.98 -78.34 -60.83 -38.46 -79.08 -60.39 -40.71 -77.00 -59.73 -41.78 -76.43 -59.82 -40.40 -78.16 -60.66 -41.04 -79.42 -60.10 2 0 12.27-999 ?-999 ?-999 ? O2 EDO F 103 mASP.F 46 -39.78 -76.64 -58.86 -38.99 -77.26 -58.84 -41.33 -75.25 -57.45 -41.99 -74.27 -57.77 -39.92 -75.45 -58.01 -39.53 -74.21 -58.81 2 0 9.45-999 ?-999 ?-999 ? O2 EDO F 103 mPHE.F 47 -41.75 -76.18 -56.60 -41.06 -76.85 -56.36 -43.42 -74.97 -55.22 -44.59 -74.60 -55.08 -43.11 -76.19 -56.08 -43.34 -77.48 -55.28 3 0 9.87-999 ?-999 ?-999 ? C4 CIT E 104 mGLU.F 48 -42.40 -74.34 -54.67 -41.50 -74.71 -54.90 -42.43 -71.88 -54.49 -42.66 -70.83 -53.90 -42.62 -73.20 -53.78 -41.69 -73.26 -52.59 2 0 -7.09-999 ?-999 ?-999 ? C4 CIT E 104s mGLN.F 49 -42.00 -71.93 -55.76 -41.91 -72.86 -56.11 -40.65 -69.87 -55.87 -40.84 -68.68 -55.69 -41.71 -70.74 -56.55 -43.00 -70.00 -56.85 2 0 7.54-999 ?-999 ?-999 ? O2 EDO F 103 mLYS.F 50 -39.53 -70.50 -55.52 -39.54 -71.47 -55.76 -37.11 -70.05 -55.66 -36.02 -69.90 -55.11 -38.38 -69.86 -54.87 -38.20 -70.40 -53.43 2 0 -5.42-999 ?-999 ?-999 ? O2 EDO F 103s mSER.F 51 -37.25 -70.37 -56.96 -38.21 -70.47 -57.24 -36.54 -70.52 -59.38 -35.99 -71.23 -60.21 -36.12 -70.57 -57.89 -35.34 -71.87 -57.56 2 0 -3.50-999 ?-999 ?-999 ? O2 EDO F 103s mGLU.F 52 -37.48 -69.65 -59.72 -37.73 -69.02 -58.98 -37.09 -69.29 -62.20 -37.36 -69.52 -63.37 -38.08 -69.64 -61.08 -39.29 -68.67 -61.12 2 0 -4.51-999 ?-999 ?-999 ? O2 EDO F 103s mARG.F 53 -35.95 -68.75 -61.80 -35.94 -68.61 -60.81 -34.07 -69.57 -63.22 -33.39 -69.46 -64.22 -34.83 -68.39 -62.64 -33.89 -67.58 -61.75 2 0 -4.36-999 ?-999 ?-999 ? O2 EDO F 103s mTYR.F 54 -34.18 -70.72 -62.56 -34.85 -70.70 -61.82 -34.29 -73.08 -63.25 -34.57 -73.90 -62.38 -33.38 -71.90 -62.89 -32.51 -72.29 -61.69 3 0 6.53-999 ?-999 ?-999 ? C2 EDO F 103 mPRO.F 55 -34.70 -73.18 -64.52 -34.34 -72.49 -65.13 -35.04 -75.68 -65.04 -35.81 -76.63 -65.17 -35.62 -74.25 -64.94 -36.08 -73.78 -66.32 3 0 9.57-999 ?-999 ?-999 ? O2 EDO F 103 mTYR^F 56 -33.72 -75.82 -65.00 -33.23 -74.97 -64.82 -31.77 -77.12 -64.35 -31.14 -76.08 -64.10 -33.06 -77.08 -65.20 -32.75 -77.31 -66.70 3 0 12.06-999 ?-999 ?-999 ? C2 EDO F 103 mGLY^F 57 -31.40 -78.32 -63.91 -32.05 -79.05 -64.08 -29.71 -79.96 -63.12 -30.40 -80.86 -63.61 -30.12 -78.50 -63.24-999.99-999.99-999.99 1 0 10.08-999 ?-999 ?-999 ? O2 CIT F 104 mPHE^F 58 -28.56 -80.16 -62.48 -28.13 -79.32 -62.14 -27.09 -81.49 -61.06 -26.74 -80.44 -60.51 -27.98 -81.45 -62.29 -27.22 -81.90 -63.56 3 0 8.48-999 ?-999 ?-999 ? O2 CIT F 104 mLEU^F 59 -26.75 -82.72 -60.67 -27.04 -83.42 -61.31 -25.01 -84.13 -59.73 -25.36 -85.19 -60.22 -26.02 -83.06 -59.44 -26.99 -83.61 -58.38 3 0 8.49-999 ?-999 ?-999 ? O2 CIT F 104 mCYH^F 60 -23.75 -83.86 -59.40 -23.59 -82.90 -59.19 -22.31 -85.16 -57.94 -21.93 -84.25 -57.21 -22.72 -84.87 -59.36 -21.49 -84.40 -60.07 2 0 7.94-999 ?-999 ?-999 ? O2 CIT F 104 mTHR^F 61 -22.39 -86.43 -57.54 -22.84 -87.04 -58.19 -20.40 -87.32 -56.39 -20.11 -88.26 -57.11 -21.85 -86.87 -56.25 -22.71 -87.99 -55.67 2 0 11.14-999 ?-999 ?-999 ? O2 CIT F 104 mPHE^F 62 -19.49 -86.64 -55.69 -19.87 -85.88 -55.18 -17.63 -87.48 -54.34 -18.07 -86.94 -53.35 -18.07 -86.99 -55.68 -17.24 -85.76 -56.01 3 0 11.65-999 ?-999 ?-999 ? O2 CIT F 104 mTHR.F 63 -16.72 -88.47 -54.28 -16.37 -88.79 -55.16 -15.30 -88.09 -52.28 -15.16 -88.14 -51.07 -16.31 -89.00 -52.99 -15.75 -90.45 -53.12 2 0 12.88-999 ?-999 ?-999 ? O2 EDO E 103 mASP~F 64 -14.57 -87.29 -53.05 -14.73 -87.40 -54.03 -13.20 -85.25 -53.46 -13.60 -85.27 -54.63 -13.61 -86.34 -52.48 -12.37 -87.04 -51.85 2 0 13.97-999 ?-999 ?-999 ? O2 EDO E 103 mLYS~F 65 -12.47 -84.26 -52.95 -12.29 -84.38 -51.97 -11.13 -83.57 -54.92 -11.23 -82.97 -55.99 -11.98 -83.12 -53.74 -11.22 -82.14 -52.84 2 0 13.25-999 ?-999 ?-999 ? O7 CIT F 104 mALA~F 66 -10.34 -84.65 -54.77 -10.34 -85.03 -53.84 -10.45 -85.77 -57.00 -10.07 -85.76 -58.16 -9.56 -85.19 -55.88 -8.53 -86.23 -55.40 2 0 14.47-999 ?-999 ?-999 ? O7 CIT F 104 mALA~F 67 -11.64 -86.25 -56.64 -11.79 -86.23 -55.66 -13.19 -85.60 -58.39 -13.34 -85.66 -59.62 -12.62 -86.76 -57.61 -13.72 -87.50 -56.90 2 0 12.49-999 ?-999 ?-999 ? O2 CIT F 104 mLEU~F 68 -13.50 -84.53 -57.66 -13.35 -84.64 -56.68 -13.02 -82.67 -59.20 -13.40 -82.15 -60.24 -14.03 -83.30 -58.26 -14.42 -82.30 -57.16 3 0 9.30-999 ?-999 ?-999 ? O2 CIT F 104 mASP~F 69 -11.76 -82.73 -58.83 -11.62 -83.21 -57.96 -10.43 -82.90 -60.91 -10.24 -82.26 -61.95 -10.66 -82.15 -59.61 -9.37 -82.12 -58.81 2 0 10.29-999 ?-999 ?-999 ? O6 CIT F 104 mALA~F 70 -10.44 -84.24 -60.84 -10.53 -84.58 -59.90 -11.47 -84.86 -63.03 -11.25 -84.81 -64.22 -10.34 -85.12 -62.01 -10.33 -86.57 -61.57 2 0 11.73-999 ?-999 ?-999 ? O2 CIT F 104 mTYR~F 71 -12.69 -84.70 -62.54 -12.74 -84.89 -61.56 -13.64 -82.88 -64.02 -13.85 -82.69 -65.22 -13.84 -84.28 -63.37 -15.07 -84.29 -62.44 3 0 -8.31-999 ?-999 ?-999 ? O2 CIT F 104s mALA~F 72 -13.24 -81.90 -63.21 -13.07 -82.19 -62.26 -12.17 -80.46 -64.91 -12.61 -79.96 -65.96 -13.05 -80.52 -63.67 -12.49 -79.66 -62.58 2 0 6.23-999 ?-999 ?-999 ? O6 CIT F 104 mVAL~F 73 -10.97 -81.04 -64.80 -10.82 -81.50 -63.93 -10.19 -81.98 -67.02 -9.47 -81.95 -68.01 -9.97 -80.99 -65.88 -8.53 -81.26 -65.35 3 0 8.62-999 ?-999 ?-999 ? O6 CIT F 104 mHIS~F 74 -11.15 -82.89 -66.88 -11.71 -82.80 -66.05 -11.83 -83.30 -69.21 -12.79 -82.52 -69.22 -11.35 -83.92 -67.88 -12.34 -84.97 -67.37 3 0 10.08-999 ?-999 ?-999 ? O1 CIT F 104 mPRO~F 75 -11.13 -83.60 -70.35 -10.38 -84.25 -70.24 -12.99 -83.11 -72.03 -13.57 -82.22 -72.65 -11.49 -82.99 -71.64 -10.63 -83.75 -72.65 3 0 10.82-999 ?-999 ?-999 ? O5 CIT F 104 mTHR~F 76 -13.60 -84.25 -71.70 -12.98 -84.91 -71.28 -15.87 -83.52 -71.15 -16.83 -83.00 -71.68 -15.02 -84.48 -71.94 -15.44 -85.94 -71.61 2 0 9.62-999 ?-999 ?-999 ? O1 CIT F 104 mHIS~F 77 -15.48 -83.27 -69.90 -14.70 -83.81 -69.58 -15.98 -80.86 -69.60 -16.93 -80.08 -69.67 -16.17 -82.28 -69.08 -15.75 -82.32 -67.61 3 0 -5.99-999 ?-999 ?-999 ? O1 CIT F 104s mGLN~F 78 -14.75 -80.52 -69.94 -14.06 -81.23 -69.77 -15.27 -78.93 -71.78 -15.73 -77.81 -71.98 -14.45 -79.21 -70.51 -12.94 -79.07 -70.75 2 0 6.19-999 ?-999 ?-999 ? O5 CIT F 104 mARG~F 79 -15.51 -79.97 -72.58 -15.03 -80.81 -72.31 -17.86 -79.60 -73.35 -18.49 -78.72 -73.93 -16.40 -79.88 -73.74 -16.33 -81.16 -74.56 2 0 8.38-999 ?-999 ?-999 ? O5 CIT F 104 mALA~F 80 -18.39 -80.35 -72.39 -17.76 -81.04 -72.05 -19.95 -78.82 -71.23 -20.93 -78.13 -71.47 -19.77 -80.17 -71.91 -20.13 -81.28 -70.95 2 0 6.22-999 ?-999 ?-999 ? O1 CIT F 104 mGLY~F 81 -18.97 -78.43 -70.42 -18.28 -79.15 -70.28 -18.98 -75.93 -70.73 -19.66 -74.96 -70.45 -18.90 -77.10 -69.77-999.99-999.99-999.99 1 0 -3.66-999 ?-999 ?-999 ? O5 CIT F 104s mGLY~F 82 -18.26 -76.01 -71.86 -17.65 -76.80 -71.90 -19.78 -74.96 -73.54 -20.22 -73.88 -73.91 -18.39 -75.04 -72.92-999.99-999.99-999.99 1 0 6.43-999 ?-999 ?-999 ? O5 CIT F 104 mMETF 83 -20.46 -76.10 -73.66 -19.97 -76.91 -73.33 -22.85 -75.49 -73.33 -23.83 -74.89 -73.79 -21.81 -76.15 -74.24 -22.22 -77.60 -74.54 2 0 8.45-999 ?-999 ?-999 ? O3 CIT F 104 mLEU~F 84 -22.62 -75.60 -72.03 -21.81 -76.15 -71.82 -23.25 -73.48 -70.96 -24.21 -72.72 -71.01 -23.46 -74.98 -71.00 -23.13 -75.58 -69.64 3 0 5.96-999 ?-999 ?-999 ? O3 CIT F 104 mVAL~F 85 -22.01 -73.04 -70.86 -21.33 -73.76 -70.74 -22.26 -70.99 -72.19 -22.83 -69.91 -72.13 -21.69 -71.60 -70.93 -20.16 -71.38 -70.83 3 0 5.37-999 ?-999 ?-999 ? O3 CIT F 104 mALA~F 86 -22.14 -71.69 -73.33 -21.64 -72.55 -73.23 -24.24 -71.19 -74.66 -24.82 -70.53 -75.52 -22.69 -71.22 -74.62 -22.13 -72.06 -75.80 2 0 9.09-999 ?-999 ?-999 ? O3 CIT F 104 mSER.F 87 -24.89 -71.87 -73.72 -24.27 -72.21 -73.01 -27.16 -71.28 -72.67 -28.39 -71.33 -72.69 -26.35 -72.09 -73.71 -26.61 -73.57 -73.45 2 0 9.92-999 ?-999 ?-999 ? O3 CIT F 104 mCYH.F 88 -26.49 -70.54 -71.79 -25.50 -70.48 -71.96 -27.11 -68.37 -70.75 -26.28 -67.82 -71.47 -27.14 -69.89 -70.66 -26.50 -70.35 -69.35 2 0 9.26-999 ?-999 ?-999 ? O3 CIT F 104 mARG.F 89 -28.04 -67.71 -70.04 -28.60 -68.30 -69.45 -26.97 -65.59 -69.59 -26.53 -65.90 -68.50 -28.22 -66.26 -70.11 -29.46 -65.82 -69.32 2 0 11.82-999 ?-999 ?-999 ? O3 CIT F 104 mASN~F 90 -26.38 -64.72 -70.40 -26.89 -64.57 -71.25 -23.96 -65.03 -69.79 -23.16 -64.78 -68.90 -25.11 -64.05 -70.10 -25.28 -63.01 -68.95 2 0 11.52-999 ?-999 ?-999 ? O4 CIT F 104 mGLY~F 91 -23.88 -66.13 -70.53 -24.63 -66.21 -71.19 -22.73 -67.79 -69.00 -23.75 -68.26 -68.48 -22.80 -67.12 -70.37-999.99-999.99-999.99 1 0 8.30-999 ?-999 ?-999 ? O3 CIT F 104 mALA~F 92 -21.52 -67.81 -68.41 -20.82 -67.35 -68.95 -21.97 -67.72 -65.95 -22.17 -68.31 -64.92 -21.26 -68.45 -67.11 -19.74 -68.55 -66.83 2 0 5.00-999 ?-999 ?-999 ? O4 CIT F 104 mASP~F 93 -22.35 -66.46 -66.15 -22.03 -66.07 -67.01 -24.59 -66.29 -65.03 -25.25 -66.02 -64.02 -23.17 -65.73 -65.19 -23.26 -64.21 -65.54 2 0 8.02-999 ?-999 ?-999 ? O4 CIT F 104 mGLY.F 94 -25.06 -67.06 -66.01 -24.45 -67.11 -66.80 -26.22 -69.20 -65.43 -27.12 -70.01 -65.70 -26.33 -67.76 -65.92-999.99-999.99-999.99 1 0 8.80-999 ?-999 ?-999 ? O3 CIT F 104 mILE^F 95 -25.14 -69.50 -64.71 -24.49 -68.75 -64.64 -24.57 -70.60 -62.62 -23.72 -69.79 -62.28 -24.92 -70.81 -64.08 -23.78 -71.61 -64.75 3 0 -6.25-999 ?-999 ?-999 ? O3 CIT F 104s mLEU^F 96 -25.27 -71.32 -61.76 -25.98 -71.87 -62.20 -24.42 -72.69 -59.98 -25.00 -73.73 -60.27 -25.04 -71.34 -60.33 -26.37 -71.21 -59.60 3 0 7.48-999 ?-999 ?-999 ? C4 CIT F 104 mVAL^F 97 -23.25 -72.67 -59.35 -22.89 -71.75 -59.18 -22.35 -73.89 -57.40 -21.64 -73.06 -56.85 -22.57 -73.89 -58.94 -21.25 -74.13 -59.72 3 0 -6.12-999 ?-999 ?-999 ? C4 CIT F 104s mVAL^F 98 -23.01 -74.86 -56.76 -23.65 -75.34 -57.36 -21.97 -76.48 -55.17 -22.14 -77.45 -55.90 -22.84 -75.20 -55.36 -24.23 -75.43 -54.70 3 0 8.99-999 ?-999 ?-999 ? O7 CIT F 104 mASP^F 99 -21.05 -76.45 -54.20 -20.96 -75.54 -53.79 -20.40 -77.91 -52.29 -19.62 -77.45 -51.48 -20.24 -77.63 -53.79 -18.74 -77.42 -54.10 2 0 9.58-999 ?-999 ?-999 ? O7 CIT F 104 mLEU^F 100 -21.46 -78.64 -51.92 -21.99 -79.00 -52.68 -20.90 -80.00 -49.99 -20.81 -81.05 -50.60 -21.78 -78.89 -50.52 -23.26 -79.30 -50.33 3 0 8.88-999 ?-999 ?-999 ? O2 EDO E 103 mGLU^F 101 -20.27 -79.78 -48.85 -20.35 -78.85 -48.48 -20.38 -81.54 -47.19 -20.64 -81.00 -46.13 -19.50 -80.84 -48.22 -18.27 -80.29 -47.57 2 0 7.58-999 ?-999 ?-999 ? O2 EDO E 103 mVAL^F 102 -20.83 -82.72 -47.52 -20.38 -83.13 -48.31 -21.34 -84.57 -45.97 -20.12 -84.81 -45.90 -21.90 -83.37 -46.78 -23.06 -83.79 -47.71 3 0 -4.00-999 ?-999 ?-999 ? O2 EDO E 103s