HEADER RNA/RNA BINDING PROTEIN 07-OCT-09 3K5Q COMPND FEM-3 MRNA-BINDING FACTOR 2; COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: UNP RESIDUES 164-575, RNA-BINDING DOMAIN; COMPND 5 ENGINEERED: YES; COMPND 6 MOL_ID: 2; COMPND 7 MOLECULE: 5'-R(P*UP*GP*UP*AP*CP*UP*AP*UP*A)-3'; COMPND 8 CHAIN: B; COMPND 9 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: CAENORHABDITIS ELEGANS; SOURCE 3 ORGANISM_COMMON: NEMATODE; SOURCE 4 ORGANISM_TAXID: 6239; SOURCE 5 GENE: F21H12.5, FBF-2, FBF-2 (AMINO ACIDS 164-575); SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 7 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 8 EXPRESSION_SYSTEM_STRAIN: BL21 STAR (DE3); SOURCE 9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 10 EXPRESSION_SYSTEM_PLASMID: PGEX-6P1; SOURCE 11 MOL_ID: 2; SOURCE 12 SYNTHETIC: YES AUTHOR Y.WANG,L.OPPERMAN,M.WICKENS,T.M.T.HALL mLEU.A 168 -14.98 -2.68 24.68 -14.09 -2.69 24.21 -16.49 -1.34 26.10 -15.56 -0.80 26.68 -16.27 -2.65 25.36 -16.38 -3.81 26.35 3 0 15.59-999 ?-999 ?-999 ? O2' A B 9 mPRO~A 169 -17.74 -0.83 26.09 -18.41 -1.37 25.59 -17.69 0.31 28.25 -17.91 -0.73 28.88 -18.05 0.42 26.79 -19.57 0.54 26.62 3 0 18.99-999 ?-999 ?-999 ? O2' A B 9 mTHR~A 170 -17.14 1.39 28.80 -17.14 2.20 28.22 -17.62 1.02 31.21 -17.32 0.31 32.17 -16.58 1.35 30.14 -15.82 2.66 30.47 2 0 21.11-999 ?-999 ?-999 ? O2' A B 9 mTRP~A 171 -18.85 1.50 31.02 -18.96 2.03 30.18 -20.22 -0.22 32.24 -20.70 -0.60 33.31 -19.93 1.27 31.99 -21.22 1.97 31.56 3 0 22.15-999 ?-999 ?-999 ? O2' A B 9 mSER~A 172 -19.92 -1.06 31.25 -19.49 -0.63 30.45 -19.06 -3.26 31.98 -19.15 -4.48 32.15 -20.21 -2.49 31.33 -20.52 -3.06 29.95 2 0 18.74-999 ?-999 ?-999 ? O2' A B 9 mLEU~A 173 -18.00 -2.56 32.34 -18.08 -1.57 32.17 -16.76 -2.97 34.44 -17.38 -2.04 34.97 -16.82 -3.19 32.93 -15.54 -2.65 32.28 3 0 18.85-999 ?-999 ?-999 ? O2' A B 9 mASP.A 174 -16.02 -3.83 35.13 -15.62 -4.56 34.58 -14.46 -3.07 36.87 -13.93 -2.31 36.06 -15.82 -3.69 36.57 -15.98 -5.04 37.28 2 0 21.09-999 ?-999 ?-999 ? O2' A B 9 mSER.A 175 -13.90 -3.39 38.03 -14.43 -4.04 38.58 -11.45 -3.49 37.70 -10.38 -2.90 37.58 -12.62 -2.84 38.44 -12.43 -2.99 39.95 2 0 23.42-999 ?-999 ?-999 ? O2' A B 9 mASN.A 176 -11.68 -4.69 37.20 -12.62 -5.02 37.33 -10.51 -5.09 35.04 -9.60 -5.57 34.36 -10.64 -5.46 36.51 -10.91 -6.96 36.63 2 0 20.83-999 ?-999 ?-999 ? O2' A B 9 mGLY.A 177 -11.41 -4.24 34.55 -12.00 -3.82 35.24 -12.17 -5.14 32.45 -12.02 -5.36 31.25 -11.49 -3.96 33.13-999.99-999.99-999.99 1 0 19.15-999 ?-999 ?-999 ? O2' A B 9 mGLU.A 178 -12.92 -5.89 33.24 -12.99 -5.53 34.18 -15.07 -6.87 32.69 -15.61 -6.03 33.40 -13.57 -7.11 32.81 -13.29 -8.21 33.84 2 0 16.30-999 ?-999 ?-999 ? O2' A B 9 mMET.A 179 -15.74 -7.60 31.80 -15.18 -8.24 31.27 -17.89 -7.79 32.95 -17.58 -8.80 33.58 -17.18 -7.43 31.64 -17.72 -8.28 30.48 2 0 14.90-999 ?-999 ?-999 ? O2' A B 9 mARG.A 180 -18.84 -6.95 33.35 -19.02 -6.21 32.70 -20.36 -8.39 34.72 -20.47 -9.17 33.77 -19.53 -7.11 34.62 -20.42 -5.89 34.90 2 0 17.62-999 ?-999 ?-999 ? O2' A B 9 mSER.A 181 -20.95 -8.59 35.89 -20.68 -7.94 36.60 -23.25 -9.01 36.35 -23.32 -7.80 36.58 -21.90 -9.66 36.11 -21.50 -10.48 37.33 2 0 18.06-999 ?-999 ?-999 ? O2' A B 9 mARG.A 182 -24.32 -9.79 36.30 -24.12 -10.75 36.08 -26.08 -8.25 35.49 -27.05 -7.52 35.66 -25.66 -9.27 36.56 -25.72 -8.64 37.95 2 0 19.11-999 ?-999 ?-999 ? C2 A B 9 mLEU.A 183 -25.34 -8.21 34.38 -24.52 -8.79 34.40 -27.02 -7.88 32.66 -27.21 -9.08 32.46 -25.71 -7.38 33.24 -24.64 -7.44 32.15 3 0 17.35-999 ?-999 ?-999 ? C2 A B 9 mSER~A 184 -27.93 -6.95 32.38 -27.67 -6.02 32.61 -29.15 -7.09 30.27 -28.37 -6.27 29.78 -29.20 -7.32 31.77 -30.36 -6.56 32.41 2 0 17.34-999 ?-999 ?-999 ? C2 A B 9 mLEU~A 185 -29.98 -7.81 29.53 -30.54 -8.47 30.04 -30.58 -6.26 27.78 -30.16 -5.60 26.83 -30.03 -7.65 28.09 -30.93 -8.72 27.48 3 0 15.21-999 ?-999 ?-999 ? C2 A B 9 mSER~A 186 -31.52 -5.81 28.59 -31.76 -6.43 29.34 -31.14 -3.37 28.57 -31.22 -2.35 27.89 -32.13 -4.51 28.38 -33.35 -4.33 29.30 2 0 18.62-999 ?-999 ?-999 ? C2 A B 9 mGLU~A 187 -30.19 -3.53 29.50 -30.27 -4.37 30.04 -28.40 -2.37 28.37 -28.24 -1.26 27.86 -29.14 -2.54 29.68 -28.15 -2.96 30.76 2 0 19.43-999 ?-999 ?-999 ? C2 A B 9 mVAL~A 188 -27.96 -3.50 27.82 -28.16 -4.32 28.35 -28.09 -2.89 25.44 -27.62 -2.02 24.70 -27.24 -3.52 26.55 -26.83 -4.96 26.18 3 0 16.55-999 ?-999 ?-999 ? C2 A B 9 mLEU~A 189 -29.35 -3.31 25.33 -29.64 -3.95 26.04 -30.45 -1.33 24.32 -30.50 -0.67 23.28 -30.20 -2.84 24.25 -31.54 -3.59 24.24 3 0 17.49-999 ?-999 ?-999 ? C2 A B 9 mASP~A 190 -30.58 -0.81 25.54 -30.44 -1.48 26.27 -29.66 1.51 25.63 -29.80 2.70 25.38 -30.88 0.60 25.79 -31.44 0.79 27.21 2 0 21.16-999 ?-999 ?-999 ? C2 A B 9 mSER~A 191 -28.47 0.94 25.80 -28.50 -0.06 25.90 -26.85 2.28 24.45 -26.18 3.31 24.36 -27.23 1.72 25.82 -26.08 0.88 26.36 2 0 21.02-999 ?-999 ?-999 ? C2 A B 9 mGLY~A 192 -27.27 1.61 23.39 -27.89 0.85 23.60 -25.51 1.35 21.69 -24.96 1.62 20.63 -26.86 1.96 22.05-999.99-999.99-999.99 1 0 20.40-999 ?-999 ?-999 ? C2 A B 9 mASP~A 193 -24.98 0.52 22.59 -25.56 0.35 23.38 -23.71 -1.56 22.00 -22.71 -2.27 22.11 -23.66 -0.09 22.41 -22.85 0.02 23.71 2 0 17.96-999 ?-999 ?-999 ? C2 A B 9 mLEU~A 194 -24.87 -2.03 21.55 -25.60 -1.35 21.49 -23.92 -3.89 20.20 -23.33 -4.95 20.38 -25.01 -3.43 21.18 -26.41 -3.70 20.59 3 0 14.68-999 ?-999 ?-999 ? C2 A B 9 mMET~A 195 -23.66 -3.09 19.17 -24.20 -2.25 19.17 -21.30 -3.78 18.74 -20.58 -4.61 18.19 -22.67 -3.42 18.15 -22.50 -2.27 17.15 2 0 14.48-999 ?-999 ?-999 ? C2 A B 9 mLYS~A 196 -20.95 -3.15 19.85 -21.63 -2.49 20.19 -19.67 -4.78 21.21 -18.67 -5.49 21.14 -19.67 -3.42 20.50 -19.30 -2.29 21.48 2 0 14.40-999 ?-999 ?-999 ? O2' A B 9 mPHE~A 197 -20.77 -5.14 21.88 -21.49 -4.45 21.89 -20.91 -7.59 21.49 -20.45 -8.69 21.75 -20.87 -6.45 22.52 -22.11 -6.55 23.41 3 0 11.72-999 ?-999 ?-999 ? N3 A B 9 mALA~A 198 -21.49 -7.30 20.33 -21.69 -6.33 20.19 -20.53 -8.83 18.61 -20.49 -9.96 18.11 -21.77 -8.35 19.36 -22.85 -7.90 18.40 2 0 9.48-999 ?-999 ?-999 ? C2 A B 9 mVAL~A 199 -19.51 -7.98 18.53 -19.66 -7.09 18.96 -17.14 -8.71 18.83 -15.99 -8.88 18.44 -18.26 -8.36 17.85 -17.79 -7.28 16.86 3 0 9.70-999 ?-999 ?-999 ? O2' A B 9 mASP~A 200 -17.48 -8.81 20.11 -18.45 -8.63 20.30 -16.79 -10.58 21.60 -17.94 -10.95 21.78 -16.51 -9.16 21.14 -16.63 -8.21 22.33 2 0 8.38-999 ?-999 ?-999 ? O2' A B 9 mLYS~A 201 -15.74 -11.38 21.80 -14.85 -10.94 21.69 -16.81 -12.97 23.38 -17.76 -13.75 23.37 -15.93 -12.79 22.15 -14.60 -13.50 22.37 2 0 5.03-999 ?-999 ?-999 ? O2' A B 9 mTHR~A 202 -16.49 -12.24 24.44 -15.73 -11.61 24.29 -18.62 -11.78 25.62 -19.57 -12.37 26.15 -17.21 -12.36 25.70 -16.43 -11.69 26.84 2 0 7.21-999 ?-999 ?-999 ? O2' A B 9 mGLY~A 203 -18.75 -10.63 24.97 -17.89 -10.24 24.64 -20.97 -10.89 23.95 -22.13 -11.08 24.29 -20.04 -9.99 24.75-999.99-999.99-999.99 1 0 9.16-999 ?-999 ?-999 ? O2' A B 9 mCYH~A 204 -20.42 -11.46 22.88 -19.48 -11.18 22.71 -21.71 -13.56 22.83 -22.83 -14.02 22.56 -21.15 -12.39 22.03 -20.23 -12.91 20.92 2 0 5.93-999 ?-999 ?-999 ? N3 A B 9 mGLN~A 205 -20.95 -14.06 23.80 -20.08 -13.60 23.96 -22.50 -14.82 25.58 -23.42 -15.60 25.85 -21.43 -15.22 24.56 -20.28 -16.00 25.21 2 0 5.51-999 ?-999 ?-999 ? C2 A B 9 mPHE~A 206 -22.40 -13.61 26.12 -21.57 -13.11 25.89 -24.76 -12.96 26.19 -25.82 -13.40 26.64 -23.46 -13.10 26.99 -23.07 -11.76 27.61 3 0 8.68-999 ?-999 ?-999 ? C2 A B 9 mLEU~A 207 -24.66 -12.35 25.02 -23.73 -12.04 24.79 -26.42 -13.48 23.70 -27.64 -13.64 23.65 -25.82 -12.15 24.14 -25.42 -11.33 22.91 3 0 7.94-999 ?-999 ?-999 ? C2 A B 9 mGLU~A 208 -25.55 -14.43 23.38 -24.59 -14.14 23.47 -26.90 -16.40 23.93 -27.92 -16.99 23.56 -25.95 -15.75 22.93 -24.70 -16.61 22.73 2 0 5.22-999 ?-999 ?-999 ? C2 A B 9 mLYS~A 209 -26.57 -16.29 25.22 -25.73 -15.79 25.40 -28.64 -15.98 26.53 -29.74 -16.48 26.78 -27.43 -16.88 26.23 -26.63 -17.16 27.50 2 0 8.14-999 ?-999 ?-999 ? N1 A B 9 mALA~A 210 -28.43 -14.67 26.50 -27.49 -14.41 26.27 -30.62 -13.80 25.76 -31.80 -13.74 26.10 -29.50 -13.71 26.78 -28.94 -12.29 26.82 2 0 10.82-999 ?-999 ?-999 ? C2 A B 9 mVAL~A 211 -30.25 -13.96 24.50 -29.26 -14.07 24.37 -32.00 -15.30 23.32 -33.04 -15.36 22.67 -31.20 -13.98 23.40 -30.49 -13.65 22.06 3 0 10.08-999 ?-999 ?-999 ? N1 A B 9 mLYS.A 212 -31.51 -16.33 24.02 -30.68 -16.11 24.52 -33.30 -17.74 25.04 -34.10 -18.68 24.99 -32.17 -17.64 24.03 -31.15 -18.74 24.37 2 0 10.08-999 ?-999 ?-999 ? N1 A B 9 mGLY.A 213 -33.36 -16.80 25.99 -32.70 -16.06 25.87 -35.64 -16.26 26.74 -35.97 -16.13 25.57 -34.31 -16.88 27.08-999.99-999.99-999.99 1 0 13.55-999 ?-999 ?-999 ? N1 A B 9 mSER.A 214 -36.43 -15.90 27.75 -36.08 -16.14 28.66 -37.35 -13.80 27.09 -36.41 -13.20 27.60 -37.68 -15.21 27.51 -38.54 -15.16 28.78 2 0 16.90-999 ?-999 ?-999 ? N1 A B 9 mLEU.A 215 -38.12 -13.29 26.14 -38.84 -13.90 25.81 -39.25 -11.30 25.58 -40.18 -11.86 25.01 -37.90 -11.94 25.64 -37.29 -11.96 24.24 3 0 17.31-999 ?-999 ?-999 ? N1 A B 9 mTHR~A 216 -39.37 -10.12 26.18 -38.56 -9.84 26.70 -40.63 -8.69 24.69 -39.64 -8.71 23.95 -40.58 -9.31 26.07 -40.61 -8.20 27.13 2 0 20.82-999 ?-999 ?-999 ? N1 A B 9 mSER~A 217 -41.78 -8.12 24.35 -42.47 -8.08 25.07 -40.94 -6.54 22.64 -40.38 -6.57 21.55 -41.98 -7.62 23.00 -43.41 -7.11 22.83 2 0 22.09-999 ?-999 ?-999 ? N1 A B 9 mTYR~A 218 -40.69 -5.62 23.55 -41.16 -5.74 24.42 -38.33 -4.97 23.12 -37.56 -4.39 22.36 -39.77 -4.51 23.26 -39.86 -3.42 24.33 3 0 22.16-999 ?-999 ?-999 ? N1 A B 9 mGLN~A 219 -37.96 -6.00 23.86 -38.65 -6.33 24.51 -36.47 -7.14 22.32 -35.44 -6.95 21.69 -36.63 -6.58 23.73 -36.41 -7.66 24.77 2 0 18.60-999 ?-999 ?-999 ? N1 A B 9 mLYS~A 220 -37.49 -7.84 21.84 -38.25 -7.98 22.47 -37.38 -7.19 19.48 -36.59 -7.21 18.53 -37.45 -8.35 20.48 -38.69 -9.19 20.19 2 0 17.66-999 ?-999 ?-999 ? N1 A B 9 mPHE~A 221 -38.21 -6.18 19.71 -38.76 -6.28 20.54 -36.92 -4.36 18.67 -36.47 -4.04 17.57 -38.30 -5.04 18.82 -39.37 -4.07 19.34 3 0 20.40-999 ?-999 ?-999 ? N1 A B 9 mGLN~A 222 -36.24 -4.18 19.79 -36.69 -4.53 20.62 -33.93 -4.37 19.05 -33.09 -3.84 18.33 -34.95 -3.52 19.79 -34.48 -3.27 21.22 2 0 19.06-999 ?-999 ?-999 ? C2 A B 9 mLEU~A 223 -34.01 -5.69 19.22 -34.71 -5.99 19.86 -33.36 -6.53 17.00 -32.42 -6.51 16.20 -33.11 -6.59 18.49 -33.24 -8.02 19.00 3 0 15.61-999 ?-999 ?-999 ? C2 A B 9 mPHE~A 224 -34.64 -6.53 16.62 -35.30 -6.57 17.37 -34.42 -5.20 14.55 -33.83 -5.27 13.48 -35.01 -6.46 15.21 -36.54 -6.44 15.04 3 0 17.58-999 ?-999 ?-999 ? N1 A B 9 mGLU~A 225 -34.59 -4.07 15.21 -35.08 -4.18 16.08 -32.58 -2.69 14.68 -32.00 -2.23 13.70 -34.11 -2.79 14.70 -34.67 -1.62 15.52 2 0 19.75-999 ?-999 ?-999 ? C2 A B 9 mGLN~A 226 -31.94 -3.13 15.75 -32.51 -3.58 16.44 -29.68 -4.02 15.14 -28.54 -3.78 14.72 -30.50 -2.94 15.86 -30.08 -2.86 17.33 2 0 17.41-999 ?-999 ?-999 ? C2 A B 9 mVAL~A 227 -30.25 -5.21 14.98 -31.20 -5.27 15.28 -29.81 -6.57 12.93 -28.91 -6.84 12.12 -29.47 -6.31 14.40 -29.59 -7.59 15.26 3 0 14.56-999 ?-999 ?-999 ? C2 A B 9 mILE~A 228 -31.08 -6.46 12.57 -31.71 -6.20 13.31 -32.33 -5.57 10.59 -32.98 -5.75 9.56 -31.50 -6.70 11.19 -32.27 -8.02 11.06 3 0 16.15-999 ?-999 ?-999 ? O4 U B 8 mGLY~A 229 -32.30 -4.41 11.23 -31.67 -4.38 12.01 -32.47 -2.28 9.89 -33.16 -1.58 9.14 -33.14 -3.29 10.82-999.99-999.99-999.99 1 0 19.93-999 ?-999 ?-999 ? O4 U B 8 mARG~A 230 -31.14 -2.21 9.94 -30.72 -2.85 10.59 -29.30 -2.04 8.34 -28.55 -2.82 8.92 -30.38 -1.29 9.10 -29.75 -0.18 9.97 2 0 20.57-999 ?-999 ?-999 ? N3 U B 8 mLYS~A 231 -29.22 -1.80 7.04 -29.81 -1.06 6.73 -26.89 -2.60 6.59 -26.26 -3.65 6.57 -28.35 -2.55 6.15 -28.42 -1.96 4.75 2 0 19.21-999 ?-999 ?-999 ? O2 U B 8 mASP~A 232 -26.35 -1.46 6.99 -27.00 -0.70 7.07 -24.53 -2.15 8.52 -23.52 -2.85 8.51 -24.93 -1.34 7.30 -24.56 0.12 7.49 2 0 18.53-999 ?-999 ?-999 ? O2 U B 8 mASP~A 233 -25.30 -2.04 9.60 -26.09 -1.43 9.49 -25.29 -4.28 10.62 -24.62 -5.13 11.21 -24.99 -2.79 10.81 -25.74 -2.21 12.01 2 0 16.59-999 ?-999 ?-999 ? O2 U B 8 mPHE~A 234 -26.29 -4.58 9.79 -26.79 -3.78 9.46 -25.40 -6.60 8.71 -24.96 -7.70 9.08 -26.60 -5.96 9.40 -27.81 -5.99 8.46 3 0 14.68-999 ?-999 ?-999 ? O2 U B 8 mLEU~A 235 -24.86 -5.92 7.70 -25.31 -5.04 7.51 -22.49 -6.57 7.84 -21.79 -7.57 7.79 -23.72 -6.43 6.95 -23.41 -5.51 5.76 3 0 13.74-999 ?-999 ?-999 ? O2 U B 8 mLYS~A 236 -22.27 -5.57 8.70 -22.94 -4.83 8.63 -21.17 -6.76 10.60 -20.15 -7.41 10.81 -21.15 -5.56 9.63 -21.14 -4.23 10.40 2 0 13.08-999 ?-999 ?-999 ? O2 U B 8 mLEU~A 237 -22.33 -7.05 11.18 -23.08 -6.44 10.95 -22.34 -9.55 11.33 -21.75 -10.52 11.82 -22.43 -8.21 12.07 -23.73 -8.13 12.88 3 0 10.56-999 ?-999 ?-999 ? O2 U B 8 mSER~A 238 -22.92 -9.59 10.14 -23.30 -8.72 9.84 -21.59 -11.29 8.94 -21.33 -12.48 8.88 -22.98 -10.82 9.36 -23.89 -10.64 8.14 2 0 8.86-999 ?-999 ?-999 ? O2 U B 8 mTHR~A 239 -20.71 -10.33 8.65 -21.06 -9.40 8.77 -18.40 -10.73 9.36 -17.20 -10.85 9.17 -19.36 -10.64 8.19 -18.84 -9.58 7.19 2 0 8.59-999 ?-999 ?-999 ? O2 U B 8 mASN.A 240 -18.94 -10.69 10.57 -19.93 -10.62 10.60 -17.98 -12.15 12.33 -18.96 -12.88 12.39 -18.08 -10.75 11.75 -18.56 -9.78 12.83 2 0 7.52-999 ?-999 ?-999 ? O2 U B 8 mILE.A 241 -16.78 -12.51 12.77 -16.08 -11.80 12.67 -17.48 -14.14 14.51 -17.92 -15.28 14.66 -16.53 -13.82 13.35 -15.06 -13.97 13.82 3 0 5.15-999 ?-999 ?-999 ? O2 U B 8 mPHE~A 242 -17.81 -13.15 15.32 -17.37 -12.27 15.11 -20.18 -12.90 16.10 -21.15 -13.56 16.48 -18.75 -13.37 16.42 -18.24 -12.74 17.72 3 0 5.81-999 ?-999 ?-999 ? C1' A B 9 mGLY~A 243 -20.30 -11.79 15.39 -19.43 -11.40 15.07 -22.52 -12.02 14.25 -23.74 -11.92 14.37 -21.59 -11.19 15.11-999.99-999.99-999.99 1 0 7.99-999 ?-999 ?-999 ? O2 U B 8 mASN~A 244 -21.97 -12.86 13.38 -20.97 -12.90 13.40 -23.80 -14.53 13.25 -24.89 -14.84 12.76 -22.83 -13.63 12.48 -22.00 -14.42 11.48 2 0 5.95-999 ?-999 ?-999 ? O2 U B 8 mTYR~A 245 -23.40 -14.94 14.46 -22.50 -14.61 14.73 -25.47 -15.04 15.82 -26.58 -15.57 15.83 -24.25 -15.79 15.29 -23.46 -16.37 16.46 3 0 5.28-999 ?-999 ?-999 ? N1 A B 9 mLEU~A 246 -25.25 -13.81 16.27 -24.30 -13.51 16.23 -27.35 -12.72 15.65 -28.55 -12.79 15.88 -26.34 -12.98 16.76 -25.82 -11.65 17.32 3 0 6.96-999 ?-999 ?-999 ? C2 A B 9 mVAL~A 247 -26.84 -12.42 14.46 -25.84 -12.35 14.43 -28.61 -13.41 13.08 -29.83 -13.26 12.92 -27.70 -12.20 13.30 -26.88 -11.91 12.03 3 0 9.51-999 ?-999 ?-999 ? O4 U B 8 mGLN~A 248 -28.05 -14.61 13.12 -27.07 -14.62 13.34 -29.89 -16.04 13.92 -31.02 -16.42 13.60 -28.84 -15.81 12.85 -27.95 -17.05 12.70 2 0 7.47-999 ?-999 ?-999 ? O4 U B 8 mSER~A 249 -29.53 -15.81 15.19 -28.56 -15.60 15.31 -31.66 -14.91 16.08 -32.82 -15.29 16.20 -30.50 -15.88 16.28 -29.85 -15.55 17.61 2 0 8.48-999 ?-999 ?-999 ? N1 A B 9 mVAL~A 250 -31.33 -13.66 15.79 -30.35 -13.50 15.67 -33.25 -12.92 14.46 -34.46 -12.73 14.52 -32.36 -12.62 15.66 -31.74 -11.20 15.59 3 0 11.67-999 ?-999 ?-999 ? N1 A B 9 mILE~A 251 -32.65 -13.41 13.38 -31.66 -13.48 13.42 -34.43 -14.91 12.65 -35.62 -14.85 12.32 -33.44 -13.82 12.23 -32.55 -14.31 11.07 3 0 12.36-999 ?-999 ?-999 ? O4 U B 8 mGLY~A 252 -33.95 -15.90 13.40 -32.96 -15.86 13.55 -35.98 -16.36 14.76 -37.13 -16.70 14.55 -34.81 -16.94 13.94-999.99-999.99-999.99 1 0 12.46-999 ?-999 ?-999 ? O4 U B 8 mILE~A 253 -35.67 -15.47 15.69 -34.70 -15.28 15.78 -37.69 -14.01 15.66 -38.89 -14.02 15.89 -36.71 -14.85 16.51 -36.07 -14.00 17.62 3 0 14.36-999 ?-999 ?-999 ? N1 A B 9 mSER~A 254 -37.17 -13.29 14.67 -36.17 -13.34 14.60 -39.05 -13.36 13.04 -40.21 -12.98 12.90 -38.02 -12.50 13.78 -37.17 -11.75 12.77 2 0 17.06-999 ?-999 ?-999 ? N1 A B 9 mLEU~A 255 -38.60 -14.52 12.56 -37.64 -14.70 12.74 -40.45 -16.16 12.75 -41.47 -16.69 12.29 -39.47 -15.44 11.84 -38.64 -16.44 11.03 3 0 17.23-999 ?-999 ?-999 ? O4 U B 8 mALA~A 256 -40.15 -16.17 14.05 -39.29 -15.74 14.29 -42.05 -15.79 15.59 -42.93 -16.17 16.36 -41.07 -16.80 15.01 -40.29 -17.48 16.14 2 0 18.25-999 ?-999 ?-999 ? N6 A B 9 mTHR~A 257 -41.91 -14.51 15.21 -41.23 -14.35 14.50 -43.75 -12.87 14.88 -43.46 -11.97 14.09 -42.71 -13.46 15.84 -41.79 -12.36 16.40 2 0 20.53-999 ?-999 ?-999 ? N1 A B 9 mASN.A 258 -44.96 -13.40 14.96 -45.08 -14.03 15.73 -46.84 -11.86 14.38 -48.08 -11.93 14.44 -46.02 -13.08 14.00 -46.92 -14.31 13.78 2 0 24.13-999 ?-999 ?-999 ? N1 A B 9 mASP.A 259 -46.16 -10.76 14.66 -45.16 -10.85 14.68 -47.03 -8.76 13.59 -46.63 -9.24 12.53 -46.88 -9.52 14.90 -46.22 -8.67 16.01 2 0 25.82-999 ?-999 ?-999 ? N1 A B 9 mASP.A 260 -47.59 -7.57 13.67 -47.79 -7.25 14.60 -46.61 -6.45 11.67 -46.70 -6.13 10.49 -47.87 -6.81 12.47 -48.66 -5.55 12.81 2 0 28.28-999 ?-999 ?-999 ? N1 A B 9 mGLY~A 261 -45.44 -6.51 12.31 -45.50 -6.82 13.26 -43.47 -7.31 10.96 -42.42 -7.10 10.32 -44.19 -6.16 11.65-999.99-999.99-999.99 1 0 25.55-999 ?-999 ?-999 ? O4 U B 8 mTYR~A 262 -44.02 -8.51 11.06 -44.90 -8.51 11.54 -43.02 -9.57 9.05 -41.90 -9.86 8.64 -43.40 -9.73 10.52 -44.35 -10.92 10.69 3 0 23.10-999 ?-999 ?-999 ? O4 U B 8 mTHR~A 263 -43.98 -9.13 8.26 -44.81 -8.84 8.73 -42.74 -8.09 6.39 -41.84 -8.43 5.63 -43.81 -9.09 6.81 -45.15 -8.76 6.11 2 0 24.30-999 ?-999 ?-999 ? O4 U B 8 mLYS~A 264 -42.84 -6.86 6.89 -43.64 -6.71 7.47 -40.43 -6.26 7.05 -39.47 -6.08 6.31 -41.84 -5.84 6.59 -42.24 -4.49 7.19 2 0 24.46-999 ?-999 ?-999 ? O4 U B 8 mARG~A 265 -40.29 -6.82 8.25 -41.13 -6.88 8.79 -38.40 -8.31 7.72 -37.22 -8.26 7.37 -38.97 -7.29 8.70 -39.01 -7.93 10.10 2 0 20.96-999 ?-999 ?-999 ? O4 U B 8 mGLN~A 266 -39.23 -9.25 7.29 -40.17 -9.17 7.60 -38.40 -9.76 5.04 -37.41 -10.15 4.43 -38.73 -10.31 6.42 -39.73 -11.47 6.33 2 0 19.57-999 ?-999 ?-999 ? O4 U B 8 mGLU~A 267 -39.23 -8.83 4.56 -40.00 -8.63 5.16 -37.71 -7.39 3.25 -36.97 -7.40 2.27 -39.02 -8.18 3.27 -40.19 -7.24 2.97 2 0 22.04-999 ?-999 ?-999 ? O4 U B 8 mLYS~A 268 -37.44 -6.70 4.35 -38.12 -6.76 5.07 -34.99 -6.82 4.48 -33.97 -6.53 3.84 -36.22 -5.92 4.46 -36.28 -5.11 5.75 2 0 21.08-999 ?-999 ?-999 ? O4 U B 8 mLEU~A 269 -35.07 -7.90 5.24 -35.93 -7.98 5.74 -33.67 -9.41 3.94 -32.51 -9.48 3.54 -34.00 -8.87 5.33 -34.40 -10.02 6.25 3 0 17.35-999 ?-999 ?-999 ? O4 U B 8 mLYS~A 270 -34.72 -9.78 3.21 -35.59 -9.71 3.68 -33.90 -9.21 0.97 -33.06 -9.56 0.15 -34.59 -10.25 1.84 -35.97 -10.61 1.26 2 0 18.56-999 ?-999 ?-999 ? O4 U B 8 mASN~A 271 -34.25 -7.93 1.15 -34.95 -7.78 1.85 -32.15 -6.61 0.71 -31.35 -6.30 -0.18 -33.62 -6.86 0.37 -34.41 -5.55 0.46 2 0 20.86-999 ?-999 ?-999 ? O4 U B 8 mPHE~A 272 -31.80 -6.72 1.99 -32.54 -6.97 2.61 -29.52 -7.56 1.77 -28.50 -7.25 1.16 -30.41 -6.49 2.39 -30.26 -6.54 3.91 3 0 18.54-999 ?-999 ?-999 ? O4 U B 8 mILE~A 273 -29.91 -8.82 1.93 -30.79 -8.93 2.39 -29.00 -9.93 -0.06 -27.92 -10.07 -0.62 -29.08 -9.92 1.47 -29.59 -11.28 1.99 3 0 16.17-999 ?-999 ?-999 ? O4 U B 8 mSER~A 274 -30.14 -9.77 -0.72 -30.94 -9.67 -0.14 -29.24 -8.73 -2.80 -28.57 -9.01 -3.79 -30.19 -9.75 -2.18 -31.62 -9.48 -2.66 2 0 18.34-999 ?-999 ?-999 ? N1 A B 7 mSER~A 275 -29.17 -7.55 -2.19 -29.72 -7.48 -1.36 -26.86 -6.71 -2.57 -26.05 -6.04 -3.21 -28.36 -6.45 -2.72 -28.72 -5.14 -2.02 2 0 20.36-999 ?-999 ?-999 ? C2 A B 7 mGLN~A 276 -26.49 -7.66 -1.72 -27.26 -8.13 -1.28 -24.85 -9.49 -1.53 -24.03 -10.04 -0.78 -25.09 -7.98 -1.46 -24.70 -7.47 -0.06 2 0 17.37-999 ?-999 ?-999 ? C2 A B 7 mMET~A 277 -25.57 -10.16 -2.43 -26.07 -9.58 -3.07 -24.22 -12.22 -2.64 -23.77 -13.05 -1.85 -25.60 -11.62 -2.44 -26.56 -12.13 -3.52 2 0 15.00-999 ?-999 ?-999 ? C2 A B 7 mTHR~A 278 -23.53 -11.79 -3.69 -23.97 -11.05 -4.21 -21.24 -12.17 -2.90 -20.56 -13.11 -2.47 -22.24 -12.38 -4.02 -21.70 -11.86 -5.36 2 0 14.37-999 ?-999 ?-999 ? C2 A B 7 mASP~A 279 -21.18 -10.94 -2.39 -21.82 -10.30 -2.81 -20.48 -11.39 -0.05 -19.53 -11.85 0.57 -20.25 -10.58 -1.33 -20.38 -9.09 -1.03 2 0 14.12-999 ?-999 ?-999 ? C2 A B 7 mMET~A 280 -21.74 -11.57 0.32 -22.42 -11.14 -0.27 -21.79 -13.82 1.35 -21.26 -14.47 2.26 -22.07 -12.33 1.52 -23.53 -12.10 1.94 2 0 11.61-999 ?-999 ?-999 ? C2 A B 7 mCYH~A 281 -22.11 -14.37 0.17 -22.54 -13.74 -0.47 -20.35 -16.09 -0.01 -19.95 -17.12 0.54 -21.84 -15.78 -0.10 -22.35 -16.20 -1.49 2 0 9.29-999 ?-999 ?-999 ? C2 A B 7 mLEU~A 282 -19.52 -15.19 -0.55 -19.98 -14.39 -0.92 -17.42 -15.16 0.79 -16.30 -15.59 1.03 -18.07 -15.40 -0.57 -17.42 -14.53 -1.64 3 0 9.75-999 ?-999 ?-999 ? C2 A B 7 mASP~A 283 -18.13 -14.47 1.67 -19.04 -14.18 1.35 -17.75 -15.41 3.89 -18.82 -16.03 3.95 -17.60 -14.19 2.98 -18.31 -12.98 3.59 2 0 9.39-999 ?-999 ?-999 ? C2 A B 7 mLYS.A 284 -16.68 -15.75 4.59 -15.91 -15.12 4.48 -17.78 -16.95 6.47 -18.28 -18.01 6.85 -16.65 -16.94 5.44 -15.30 -17.02 6.15 2 0 6.83-999 ?-999 ?-999 ? C2 A B 7 mPHE~A 285 -18.16 -15.77 6.94 -17.74 -14.98 6.50 -20.53 -15.37 7.52 -21.49 -15.97 7.98 -19.12 -15.69 8.02 -18.64 -14.70 9.09 3 0 4.91-999 ?-999 ?-999 ? O2 U B 8 mALA~A 286 -20.64 -14.47 6.55 -19.77 -14.10 6.22 -22.60 -15.21 5.27 -23.83 -15.27 5.16 -21.94 -14.07 6.03 -21.83 -12.81 5.17 2 0 8.01-999 ?-999 ?-999 ? O2 U B 8 mCYH~A 287 -21.78 -16.14 4.76 -20.81 -15.99 4.90 -23.16 -18.15 4.99 -24.07 -18.86 4.57 -22.34 -17.28 4.03 -21.26 -18.10 3.31 2 0 6.48-999 ?-999 ?-999 ? C2 A B 7 mARG~A 288 -22.84 -18.08 6.28 -22.05 -17.50 6.47 -24.95 -18.14 7.53 -25.94 -18.84 7.80 -23.59 -18.79 7.31 -22.81 -18.84 8.63 2 0 5.15-999 ?-999 ?-999 ? O4 U B 8 mVAL~A 289 -24.99 -16.81 7.44 -24.10 -16.39 7.29 -27.14 -16.38 6.37 -28.35 -16.49 6.51 -26.24 -16.06 7.56 -26.00 -14.53 7.65 3 0 7.11-999 ?-999 ?-999 ? O4 U B 8 mILE~A 290 -26.54 -16.52 5.20 -25.55 -16.39 5.22 -27.91 -18.25 4.09 -29.09 -18.44 3.80 -27.30 -16.86 4.00 -26.41 -16.73 2.75 3 0 9.40-999 ?-999 ?-999 ? N1 A B 7 mGLN~A 291 -27.11 -19.23 4.51 -26.18 -18.95 4.73 -28.74 -20.66 5.63 -29.76 -21.27 5.39 -27.60 -20.60 4.63 -26.47 -21.53 5.03 2 0 7.34-999 ?-999 ?-999 ? N6 A B 7 mSER~A 292 -28.55 -19.98 6.74 -27.66 -19.51 6.78 -30.82 -19.27 7.30 -31.92 -19.72 7.62 -29.52 -19.91 7.81 -28.93 -19.07 8.96 2 0 7.89-999 ?-999 ?-999 ? O4 U B 8 mSER~A 293 -30.68 -18.22 6.50 -29.73 -17.96 6.31 -32.60 -18.38 4.94 -33.83 -18.41 4.93 -31.85 -17.52 5.96 -31.43 -16.18 5.35 2 0 11.20-999 ?-999 ?-999 ? O4 U B 8 mLEU~A 294 -31.86 -19.08 4.07 -30.88 -18.94 4.16 -33.33 -21.04 3.77 -34.39 -21.41 3.29 -32.49 -19.97 3.09 -31.42 -20.65 2.22 3 0 11.98-999 ?-999 ?-999 ? N6 A B 7 mGLN~A 295 -32.85 -21.53 4.89 -31.99 -21.11 5.19 -34.71 -22.12 6.42 -35.69 -22.85 6.58 -33.51 -22.60 5.62 -32.52 -23.26 6.57 2 0 11.64-999 ?-999 ?-999 ? N6 A B 7 mASN~A 296 -34.64 -20.90 6.94 -33.87 -20.35 6.61 -36.66 -19.44 7.42 -37.74 -19.32 8.01 -35.63 -20.44 7.91 -34.93 -19.92 9.17 2 0 13.35-999 ?-999 ?-999 ? O4 U B 8 mMET~A 297 -36.33 -18.70 6.37 -35.41 -18.83 6.01 -38.47 -18.58 5.23 -38.32 -19.76 4.94 -37.32 -17.78 5.82 -36.72 -16.89 4.73 2 0 15.90-999 ?-999 ?-999 ? O4 U B 8 mASP~A 298 -39.62 -17.93 5.09 -39.68 -17.05 5.55 -40.12 -18.83 2.92 -39.34 -18.06 2.36 -40.69 -18.49 4.29 -41.82 -17.47 4.14 2 0 19.48-999 ?-999 ?-999 ? O4 U B 8 mLEU~A 299 -40.53 -19.97 2.39 -41.21 -20.46 2.92 -40.08 -19.37 0.04 -39.12 -19.15 -0.68 -40.01 -20.44 1.12 -40.74 -21.71 0.67 3 0 19.12-999 ?-999 ?-999 ? N6 A B 7 mSER~A 300 -41.22 -18.68 -0.06 -41.91 -18.89 0.63 -40.31 -16.60 -1.08 -39.87 -16.11 -2.11 -41.38 -17.70 -1.13 -42.79 -17.12 -1.16 2 0 21.86-999 ?-999 ?-999 ? N6 A B 7 mLEU~A 301 -39.86 -16.22 0.12 -40.29 -16.67 0.90 -37.41 -15.84 0.05 -36.50 -15.19 -0.48 -38.80 -15.22 0.20 -38.90 -14.38 1.48 3 0 20.31-999 ?-999 ?-999 ? N6 A B 7 mALA~A 302 -37.24 -17.08 0.50 -38.02 -17.46 1.00 -35.75 -17.89 -1.23 -34.64 -17.72 -1.69 -35.99 -17.79 0.27 -36.00 -19.17 0.93 2 0 16.76-999 ?-999 ?-999 ? N6 A B 7 mCYH~A 303 -36.81 -18.15 -1.99 -37.66 -18.29 -1.48 -36.23 -16.91 -4.09 -35.57 -16.93 -5.13 -36.71 -18.21 -3.45 -38.04 -18.65 -4.08 2 0 18.77-999 ?-999 ?-999 ? N6 A B 7 mLYS~A 304 -36.55 -15.78 -3.46 -37.14 -15.90 -2.66 -34.54 -14.37 -3.74 -33.87 -13.68 -4.51 -36.06 -14.49 -3.93 -36.77 -13.34 -3.20 2 0 20.02-999 ?-999 ?-999 ? N1 A B 7 mLEU~A 305 -34.00 -15.04 -2.73 -34.65 -15.55 -2.17 -31.83 -15.75 -3.56 -30.77 -15.35 -4.03 -32.56 -14.98 -2.49 -32.20 -15.57 -1.13 3 0 16.53-999 ?-999 ?-999 ? N1 A B 7 mVAL~A 306 -32.42 -16.88 -3.94 -33.28 -17.07 -3.48 -31.74 -16.94 -6.25 -30.73 -16.94 -6.95 -31.82 -17.74 -4.96 -32.67 -18.99 -5.20 3 0 16.19-999 ?-999 ?-999 ? N1 A B 7 mGLN~A 307 -32.82 -16.22 -6.53 -33.53 -16.26 -5.83 -31.89 -14.35 -7.81 -31.51 -13.90 -8.90 -32.95 -15.44 -7.75 -34.37 -14.88 -7.83 2 0 19.65-999 ?-999 ?-999 ? N1 A B 7 mALA~A 308 -31.38 -13.94 -6.65 -31.76 -14.39 -5.85 -28.91 -13.47 -6.78 -27.95 -12.70 -6.81 -30.33 -12.91 -6.59 -30.42 -12.14 -5.28 2 0 18.66-999 ?-999 ?-999 ? N1 A B 7 mLEU.A 309 -28.76 -14.78 -6.90 -29.59 -15.33 -6.77 -26.95 -14.78 -8.55 -27.74 -14.60 -9.48 -27.45 -15.33 -7.21 -27.47 -16.86 -7.24 3 0 16.48-999 ?-999 ?-999 ? N1 A B 7 mPRO.A 310 -25.65 -14.54 -8.66 -25.12 -14.70 -7.83 -25.15 -15.15 -11.00 -25.30 -16.33 -10.64 -25.07 -14.06 -9.93 -23.61 -13.77 -9.55 3 0 18.46-999 ?-999 ?-999 ? C2 A B 7 mARG.A 311 -25.06 -14.78 -12.27 -24.89 -13.81 -12.41 -23.97 -15.75 -14.28 -24.00 -16.31 -15.38 -25.19 -15.75 -13.37 -26.44 -15.46 -14.22 2 0 20.75-999 ?-999 ?-999 ? C2 A B 7 mASP~A 312 -22.90 -15.12 -13.82 -22.99 -14.73 -12.91 -20.52 -15.74 -13.94 -20.72 -16.72 -13.23 -21.69 -15.03 -14.63 -21.35 -13.56 -14.90 2 0 21.53-999 ?-999 ?-999 ? C2 A B 7 mALA~A 313 -19.31 -15.23 -14.13 -19.30 -14.41 -14.71 -18.18 -15.86 -12.02 -17.54 -16.69 -11.38 -18.12 -15.82 -13.54 -16.87 -15.08 -14.00 2 0 20.19-999 ?-999 ?-999 ? C2 A B 7 mARG~A 314 -18.95 -14.95 -11.43 -19.41 -14.33 -12.06 -19.75 -16.18 -9.44 -19.49 -16.61 -8.31 -19.08 -14.91 -9.98 -19.84 -13.66 -9.54 2 0 17.28-999 ?-999 ?-999 ? C2 A B 7 mLEU~A 315 -20.60 -16.80 -10.24 -20.74 -16.37 -11.13 -20.27 -19.16 -9.74 -20.38 -20.03 -8.87 -21.27 -18.02 -9.81 -22.44 -18.38 -10.73 3 0 15.97-999 ?-999 ?-999 ? C2 A B 7 mILE~A 316 -19.28 -19.16 -10.63 -19.33 -18.43 -11.31 -17.40 -20.02 -9.32 -17.14 -21.00 -8.63 -18.23 -20.17 -10.59 -17.30 -20.11 -11.82 3 0 16.17-999 ?-999 ?-999 ? C2 A B 7 mALA~A 317 -17.00 -18.78 -9.02 -17.26 -18.09 -9.69 -16.99 -18.92 -6.57 -16.40 -19.41 -5.61 -16.23 -18.49 -7.82 -15.90 -17.00 -7.75 2 0 14.27-999 ?-999 ?-999 ? C2 A B 7 mILE~A 318 -18.30 -18.73 -6.56 -18.68 -18.26 -7.36 -18.97 -20.75 -5.33 -18.67 -21.30 -4.27 -19.09 -19.23 -5.43 -20.56 -18.79 -5.51 3 0 11.36-999 ?-999 ?-999 ? C2 A B 7 mCYH~A 319 -19.15 -21.44 -6.46 -19.34 -20.87 -7.26 -17.71 -23.46 -6.06 -17.66 -24.55 -5.49 -19.06 -22.90 -6.50 -19.39 -23.42 -7.90 2 0 11.77-999 ?-999 ?-999 ? C2 A B 7 mVAL~A 320 -16.62 -22.74 -6.33 -16.78 -21.85 -6.75 -14.77 -22.80 -4.66 -13.70 -23.22 -4.23 -15.30 -23.28 -6.01 -14.24 -23.03 -7.15 3 0 10.68-999 ?-999 ?-999 ? C4' C B 5 mASP~A 321 -15.52 -21.93 -3.99 -16.38 -21.69 -4.44 -15.35 -22.42 -1.59 -16.43 -23.01 -1.55 -15.07 -21.41 -2.70 -15.75 -20.08 -2.40 2 0 9.10-999 ?-999 ?-999 ? N3 A B 7 mGLN.A 322 -14.39 -22.60 -0.68 -13.58 -22.04 -0.81 -15.74 -23.26 1.30 -16.33 -24.18 1.88 -14.56 -23.57 0.40 -13.32 -23.68 1.28 2 0 5.79-999 ?-999 ?-999 ? OP1 U B 6 mASN.A 323 -16.08 -21.99 1.45 -15.48 -21.33 0.99 -18.49 -21.42 1.42 -19.54 -21.94 1.76 -17.23 -21.62 2.26 -16.93 -20.37 3.10 2 0 3.97-999 ?-999 ?-999 ? N3 A B 7 mALA~A 324 -18.37 -20.67 0.33 -17.43 -20.39 0.12 -20.23 -21.48 -1.13 -21.43 -21.42 -1.36 -19.52 -20.29 -0.49 -19.10 -19.31 -1.56 2 0 6.37-999 ?-999 ?-999 ? C2 A B 7 mASN~A 325 -19.49 -22.55 -1.44 -18.52 -22.50 -1.18 -21.25 -24.23 -1.28 -22.22 -24.77 -1.81 -20.11 -23.67 -2.11 -19.09 -24.77 -2.46 2 0 7.40-999 ?-999 ?-999 ? C2 A B 7 mHIS~A 326 -21.14 -24.08 0.04 -20.31 -23.61 0.34 -23.49 -23.81 0.79 -24.54 -24.31 1.18 -22.17 -24.55 0.95 -21.68 -24.49 2.39 3 0 4.78-999 ?-999 ?-999 ? N1 A B 7 mVAL~A 327 -23.43 -22.61 0.20 -22.51 -22.29 0.00 -25.39 -22.59 -1.23 -26.60 -22.76 -1.16 -24.64 -21.87 -0.10 -24.35 -20.39 -0.48 3 0 6.92-999 ?-999 ?-999 ? N1 A B 7 mILE~A 328 -24.66 -23.02 -2.25 -23.68 -22.83 -2.19 -25.85 -25.06 -2.88 -26.93 -25.49 -3.29 -25.29 -23.73 -3.36 -24.33 -23.96 -4.54 3 0 9.85-999 ?-999 ?-999 ? N1 A B 7 mGLN~A 329 -25.11 -25.72 -1.99 -24.25 -25.27 -1.75 -26.85 -26.78 -0.67 -27.74 -27.62 -0.70 -25.57 -26.98 -1.45 -24.50 -27.61 -0.56 2 0 8.42-999 ?-999 ?-999 ? N6 A B 7 mLYS~A 330 -26.93 -25.66 0.06 -26.14 -25.05 0.00 -29.30 -25.17 -0.07 -30.40 -25.65 0.19 -28.12 -25.40 0.86 -27.92 -24.22 1.82 2 0 7.89-999 ?-999 ?-999 ? N6 A B 7 mVAL~A 331 -29.07 -24.44 -1.16 -28.14 -24.09 -1.24 -30.71 -25.52 -2.67 -31.92 -25.72 -2.72 -30.13 -24.19 -2.14 -29.61 -23.34 -3.29 3 0 11.47-999 ?-999 ?-999 ? N6 A B 7 mVAL~A 332 -29.82 -26.42 -3.06 -28.88 -26.12 -2.92 -31.00 -28.52 -2.61 -31.92 -29.25 -2.98 -30.20 -27.71 -3.62 -28.91 -28.46 -4.03 3 0 12.79-999 ?-999 ?-999 ? N6 A B 7 mALA~A 333 -30.66 -28.35 -1.33 -29.94 -27.68 -1.18 -32.69 -28.60 0.10 -33.59 -29.40 0.33 -31.30 -29.10 -0.26 -30.41 -29.13 0.98 2 0 11.71-999 ?-999 ?-999 ? N6 A B 7 mVAL~A 334 -32.89 -27.28 0.13 -32.14 -26.72 -0.24 -35.01 -25.95 -0.29 -36.09 -25.52 0.08 -34.13 -26.75 0.68 -33.86 -25.87 1.93 3 0 13.17-999 ?-999 ?-999 ? N6 A B 7 mILE~A 335 -34.55 -25.75 -1.52 -33.65 -26.16 -1.69 -35.80 -25.94 -3.61 -35.07 -26.85 -4.00 -35.30 -25.00 -2.51 -34.43 -23.87 -3.13 3 0 15.67-999 ?-999 ?-999 ? N6 A B 7 mPRO~A 336 -37.04 -25.75 -4.09 -37.55 -25.02 -3.64 -36.77 -26.39 -6.50 -36.33 -25.28 -6.80 -37.56 -26.56 -5.21 -38.99 -26.02 -5.40 3 0 19.10-999 ?-999 ?-999 ? N6 A B 7 mLEU~A 337 -36.59 -27.48 -7.25 -37.05 -28.29 -6.90 -36.14 -26.33 -9.44 -35.26 -25.74 -10.04 -35.79 -27.47 -8.47 -35.92 -28.81 -9.22 3 0 20.02-999 ?-999 ?-999 ? N6 A B 7 mLYS~A 338 -37.42 -26.07 -9.61 -38.05 -26.63 -9.07 -37.04 -23.73 -10.31 -36.61 -23.09 -11.25 -37.84 -25.02 -10.54 -39.34 -24.75 -10.40 2 0 22.82-999 ?-999 ?-999 ? N6 A B 7 mASN~A 339 -36.83 -23.38 -9.05 -37.15 -24.04 -8.37 -34.64 -22.12 -8.95 -34.04 -21.05 -9.10 -36.16 -22.12 -8.73 -36.51 -21.69 -7.31 2 0 20.61-999 ?-999 ?-999 ? N6 A B 7 mTRP~A 340 -34.02 -23.29 -8.97 -34.61 -24.09 -8.82 -32.18 -24.12 -10.45 -31.01 -24.43 -10.66 -32.58 -23.36 -9.19 -31.83 -23.87 -7.94 3 0 18.57-999 ?-999 ?-999 ? N6 A B 7 mGLU~A 341 -33.15 -24.40 -11.31 -34.06 -24.11 -11.03 -31.77 -24.38 -13.38 -30.99 -25.02 -14.09 -32.87 -25.10 -12.57 -34.15 -25.23 -13.41 2 0 21.49-999 ?-999 ?-999 ? N6 A B 7 mPHE~A 342 -31.69 -23.06 -13.26 -32.36 -22.66 -12.63 -29.27 -22.66 -13.58 -28.32 -22.50 -14.35 -30.69 -22.30 -14.02 -30.92 -20.79 -13.91 3 0 21.84-999 ?-999 ?-999 ? N1 A B 7 mILE~A 343 -29.14 -23.16 -12.36 -29.99 -23.22 -11.83 -27.38 -24.85 -12.55 -26.20 -25.00 -12.90 -27.84 -23.58 -11.86 -27.84 -23.76 -10.34 3 0 18.66-999 ?-999 ?-999 ? N1 A B 7 mVAL~A 344 -28.31 -25.76 -12.78 -29.22 -25.52 -12.45 -27.45 -26.72 -14.86 -26.41 -27.23 -15.24 -28.01 -27.00 -13.48 -29.25 -27.87 -13.62 3 0 19.22-999 ?-999 ?-999 ? O2' C B 5 mASP~A 345 -28.17 -25.90 -15.62 -29.00 -25.56 -15.18 -26.51 -24.65 -16.97 -25.71 -24.73 -17.90 -27.75 -25.54 -16.96 -28.92 -24.87 -17.69 2 0 22.09-999 ?-999 ?-999 ? C2 A B 4 mPHE~A 346 -26.34 -23.82 -15.95 -27.09 -23.79 -15.29 -23.93 -23.98 -15.76 -22.96 -23.85 -16.48 -25.11 -23.03 -15.86 -25.14 -22.10 -14.64 3 0 20.91-999 ?-999 ?-999 ? O2' C B 5 mVAL~A 347 -24.05 -24.94 -14.85 -24.93 -24.95 -14.37 -22.75 -26.80 -15.76 -21.61 -27.16 -16.04 -23.00 -25.90 -14.56 -23.38 -26.77 -13.35 3 0 17.93-999 ?-999 ?-999 ? O2' C B 5 mALA~A 348 -23.82 -27.12 -16.48 -24.66 -26.70 -16.16 -23.09 -27.39 -18.84 -22.79 -28.08 -19.81 -23.75 -28.03 -17.62 -25.14 -28.52 -17.99 2 0 19.27-999 ?-999 ?-999 ? C2 A B 4 mTHR~A 349 -22.90 -26.08 -18.82 -23.28 -25.60 -18.02 -20.74 -25.93 -19.88 -20.10 -25.89 -18.83 -22.17 -25.42 -19.90 -22.18 -23.89 -19.74 2 0 21.76-999 ?-999 ?-999 ? C2 A B 4 mPRO~A 350 -20.25 -26.47 -21.02 -20.84 -26.33 -21.82 -17.81 -26.49 -20.35 -17.13 -27.13 -19.54 -18.97 -27.19 -21.08 -18.70 -27.27 -22.58 3 0 20.92-999 ?-999 ?-999 ? N3 A B 4 mGLU~A 351 -17.59 -25.21 -20.64 -18.23 -24.81 -21.30 -16.68 -24.31 -18.51 -15.72 -24.36 -17.74 -16.48 -24.49 -20.01 -16.29 -23.13 -20.69 2 0 20.22-999 ?-999 ?-999 ? O2' A B 4 mHIS~A 352 -17.93 -24.10 -18.09 -18.61 -24.02 -18.81 -17.99 -25.33 -15.96 -17.34 -25.39 -14.91 -18.23 -24.00 -16.66 -19.66 -23.53 -16.42 3 0 18.29-999 ?-999 ?-999 ? O2' A B 4 mLEU~A 353 -18.51 -26.41 -16.54 -19.05 -26.21 -17.36 -16.82 -28.03 -15.86 -16.37 -28.52 -14.83 -18.31 -27.75 -16.01 -18.98 -28.80 -16.91 3 0 16.20-999 ?-999 ?-999 ? O2' A B 4 mARG~A 354 -16.05 -27.70 -16.90 -16.56 -27.34 -17.68 -13.97 -27.24 -15.63 -13.27 -27.89 -14.86 -14.60 -27.88 -16.86 -13.94 -27.32 -18.12 2 0 15.62-999 ?-999 ?-999 ? O2' A B 4 mGLN~A 355 -14.25 -25.95 -15.43 -14.85 -25.54 -16.11 -14.18 -25.80 -12.94 -13.39 -25.97 -12.02 -13.70 -25.24 -14.28 -14.06 -23.76 -14.36 2 0 14.40-999 ?-999 ?-999 ? O2' A B 4 mILE~A 356 -15.47 -26.07 -12.84 -15.98 -25.97 -13.70 -15.66 -27.88 -11.13 -15.41 -28.11 -9.95 -16.08 -26.47 -11.58 -17.62 -26.35 -11.64 3 0 12.32-999 ?-999 ?-999 ? O2' A B 4 mCYH~A 357 -15.60 -28.81 -12.08 -15.83 -28.48 -12.99 -13.70 -30.38 -11.63 -13.24 -31.43 -11.20 -15.20 -30.19 -11.77 -15.74 -31.14 -12.83 2 0 10.51-999 ?-999 ?-999 ? O2' A B 4 mSER~A 358 -12.92 -29.37 -11.99 -13.39 -28.59 -12.39 -11.10 -28.90 -10.41 -9.94 -28.71 -10.10 -11.48 -29.46 -11.79 -10.73 -28.74 -12.91 2 0 9.92-999 ?-999 ?-999 ? O2' A B 4 mASP~A 359 -12.11 -28.66 -9.56 -13.00 -28.95 -9.90 -12.43 -28.89 -7.13 -13.48 -29.51 -7.27 -11.88 -28.02 -8.26 -12.56 -26.65 -8.24 2 0 7.75-999 ?-999 ?-999 ? O2' A B 4 mLYS~A 360 -11.73 -28.93 -6.00 -10.92 -28.34 -5.98 -13.55 -29.48 -4.37 -14.33 -30.39 -4.08 -12.16 -29.81 -4.92 -11.13 -29.89 -3.79 2 0 4.31-999 ?-999 ?-999 ? O2' A B 4 mTYR~A 361 -13.86 -28.19 -4.24 -13.14 -27.55 -4.49 -16.26 -27.84 -4.83 -17.41 -28.21 -4.56 -15.18 -27.81 -3.75 -15.12 -26.46 -3.02 3 0 5.85-999 ?-999 ?-999 ? C4' C B 5 mGLY~A 362 -15.90 -27.46 -6.05 -14.95 -27.16 -6.13 -17.39 -28.87 -7.40 -18.58 -29.05 -7.62 -16.83 -27.47 -7.16-999.99-999.99-999.99 1 0 9.16-999 ?-999 ?-999 ? C4' C B 5 mCYH~A 363 -16.51 -29.86 -7.34 -15.56 -29.58 -7.21 -18.02 -31.62 -6.46 -18.95 -32.34 -6.80 -16.93 -31.24 -7.47 -15.73 -32.17 -7.36 2 0 7.49-999 ?-999 ?-999 ? N3 A B 4 mARG~A 364 -17.90 -31.13 -5.23 -17.08 -30.58 -5.09 -20.25 -30.81 -4.53 -21.30 -31.35 -4.18 -18.89 -31.41 -4.19 -18.42 -30.83 -2.87 2 0 5.87-999 ?-999 ?-999 ? O2' C B 5 mVAL~A 365 -20.22 -29.67 -5.20 -19.31 -29.29 -5.38 -22.12 -29.91 -6.70 -23.30 -30.22 -6.60 -21.45 -29.03 -5.63 -21.19 -27.61 -6.16 3 0 8.82-999 ?-999 ?-999 ? O2' C B 5 mVAL~A 366 -21.36 -30.31 -7.72 -20.41 -30.00 -7.67 -22.45 -32.45 -8.23 -23.53 -32.90 -8.61 -21.89 -31.14 -8.79 -20.81 -31.41 -9.86 3 0 10.70-999 ?-999 ?-999 ? C2 A B 4 mGLN~A 367 -21.72 -33.04 -7.30 -20.87 -32.56 -7.06 -23.50 -34.13 -6.00 -24.36 -34.99 -6.12 -22.14 -34.29 -6.69 -21.09 -34.76 -5.68 2 0 8.35-999 ?-999 ?-999 ? C2 A B 4 mTHR~A 368 -23.67 -33.03 -5.28 -22.91 -32.38 -5.29 -26.06 -32.61 -5.48 -27.17 -33.09 -5.23 -24.90 -32.82 -4.53 -24.81 -31.61 -3.60 2 0 10.32-999 ?-999 ?-999 ? O2' C B 5 mILE~A 369 -25.80 -31.90 -6.57 -24.87 -31.54 -6.61 -27.25 -32.99 -8.23 -28.45 -33.22 -8.38 -26.80 -31.67 -7.60 -26.26 -30.73 -8.67 3 0 13.59-999 ?-999 ?-999 ? O2' C B 5 mILE~A 370 -26.29 -33.84 -8.57 -25.36 -33.50 -8.41 -27.46 -35.98 -8.23 -28.48 -36.52 -8.68 -26.58 -35.15 -9.15 -25.29 -35.94 -9.48 3 0 13.06-999 ?-999 ?-999 ? C2 A B 4 mGLU~A 371 -27.10 -36.06 -6.96 -26.24 -35.59 -6.74 -29.35 -36.24 -5.89 -30.31 -37.02 -5.84 -27.93 -36.78 -5.99 -27.27 -36.76 -4.62 2 0 12.96-999 ?-999 ?-999 ? N1 A B 4 mLYS~A 372 -29.50 -34.92 -5.85 -28.64 -34.40 -5.90 -31.65 -34.58 -7.01 -32.86 -34.76 -6.95 -30.83 -34.31 -5.75 -30.73 -32.80 -5.51 2 0 15.73-999 ?-999 ?-999 ? O2 C B 5 mLEU~A 373 -30.98 -34.65 -8.15 -29.99 -34.48 -8.07 -31.89 -36.44 -9.66 -32.41 -36.81 -10.72 -31.65 -34.94 -9.41 -30.88 -34.35 -10.59 3 0 17.76-999 ?-999 ?-999 ? C2 A B 4 mTHR.A 374 -31.54 -37.29 -8.70 -31.20 -36.86 -7.86 -33.02 -39.26 -8.46 -33.49 -38.89 -7.38 -31.65 -38.74 -8.91 -30.52 -39.49 -8.18 2 0 17.39-999 ?-999 ?-999 ? N1 A B 4 mALA.A 375 -33.65 -40.11 -9.27 -33.17 -40.31 -10.12 -34.81 -41.85 -7.94 -35.02 -43.01 -8.29 -34.96 -40.68 -8.92 -35.76 -41.10 -10.17 2 0 20.62-999 ?-999 ?-999 ? N1 A B 4 mASP~A 376 -34.43 -41.53 -6.72 -34.25 -40.56 -6.56 -35.43 -42.44 -4.69 -36.42 -41.72 -4.93 -34.30 -42.57 -5.71 -32.93 -42.49 -5.03 2 0 19.50-999 ?-999 ?-999 ? N1 A B 4 mSER~A 377 -35.27 -43.11 -3.56 -34.38 -43.55 -3.46 -36.65 -41.82 -1.90 -37.73 -41.62 -1.35 -36.34 -43.17 -2.56 -36.04 -44.27 -1.52 2 0 21.30-999 ?-999 ?-999 ? N1 A B 4 mMET~A 378 -35.71 -40.88 -1.98 -34.88 -41.17 -2.45 -36.76 -38.64 -2.34 -37.19 -37.57 -1.91 -35.92 -39.54 -1.44 -34.58 -38.85 -1.14 2 0 19.72-999 ?-999 ?-999 ? O2 C B 5 mASN~A 379 -36.99 -39.05 -3.58 -36.57 -39.93 -3.81 -39.14 -38.88 -4.87 -39.83 -38.37 -5.76 -37.80 -38.25 -4.49 -37.01 -37.91 -5.77 2 0 21.94-999 ?-999 ?-999 ? O2 C B 5 mVAL~A 380 -39.53 -39.96 -4.20 -38.89 -40.28 -3.50 -42.04 -39.69 -4.21 -43.15 -39.99 -4.65 -40.82 -40.59 -4.52 -41.00 -41.96 -3.82 3 0 25.22-999 ?-999 ?-999 ? O2 C B 5 mASP.A 381 -41.83 -38.61 -3.47 -40.88 -38.48 -3.19 -43.24 -36.67 -4.22 -44.21 -35.92 -4.13 -42.92 -37.69 -3.12 -42.59 -36.92 -1.84 2 0 25.81-999 ?-999 ?-999 ? N6 A B 7 mLEU.A 382 -42.42 -36.63 -5.26 -41.65 -37.27 -5.23 -43.91 -36.04 -7.17 -44.18 -37.23 -7.40 -42.68 -35.67 -6.33 -41.45 -35.56 -7.22 3 0 26.07-999 ?-999 ?-999 ? N6 A B 7 mTHR~A 383 -44.65 -35.04 -7.64 -44.41 -34.14 -7.27 -45.07 -35.81 -9.93 -43.87 -35.65 -10.15 -45.70 -35.28 -8.64 -46.41 -33.98 -9.04 2 0 29.45-999 ?-999 ?-999 ? N6 A B 7 mSER~A 384 -45.89 -36.39 -10.81 -46.83 -36.52 -10.47 -44.78 -35.65 -12.89 -43.71 -35.82 -13.47 -45.44 -36.79 -12.14 -46.62 -37.33 -12.97 2 0 31.47-999 ?-999 ?-999 ? N1 A B 4 mALA~A 385 -45.41 -34.48 -12.89 -46.26 -34.46 -12.37 -43.51 -32.91 -13.06 -42.60 -32.53 -13.80 -44.85 -33.34 -13.62 -45.83 -32.17 -13.62 2 0 31.07-999 ?-999 ?-999 ? N6 A B 7 mALA~A 386 -43.37 -32.94 -11.74 -44.18 -33.23 -11.23 -41.02 -33.64 -11.42 -39.85 -33.31 -11.59 -42.10 -32.58 -11.13 -42.27 -32.34 -9.63 2 0 27.28-999 ?-999 ?-999 ? N6 A B 7 mGLN~A 387 -41.42 -34.92 -11.48 -42.39 -35.06 -11.29 -39.91 -35.78 -13.20 -38.73 -36.03 -13.45 -40.48 -36.00 -11.81 -41.17 -37.38 -11.80 2 0 26.74-999 ?-999 ?-999 ? N1 A B 4 mASN~A 388 -40.76 -35.32 -14.10 -41.69 -35.16 -13.76 -39.36 -33.91 -15.57 -38.42 -33.96 -16.34 -40.35 -35.07 -15.48 -41.56 -34.77 -16.36 2 0 28.12-999 ?-999 ?-999 ? C2 A B 4 mLEU~A 389 -39.59 -32.86 -14.78 -40.42 -32.93 -14.23 -37.31 -32.16 -14.22 -36.28 -31.74 -14.73 -38.69 -31.72 -14.75 -39.26 -30.60 -13.87 3 0 26.79-999 ?-999 ?-999 ? C2 A B 4 mARG~A 390 -37.32 -32.99 -13.19 -38.23 -33.23 -12.85 -35.36 -34.39 -13.64 -34.16 -34.28 -13.85 -36.07 -33.50 -12.61 -36.37 -34.30 -11.34 2 0 23.24-999 ?-999 ?-999 ? C2 A B 4 mGLU~A 391 -36.13 -35.26 -14.29 -37.10 -35.19 -14.06 -34.87 -35.52 -16.39 -33.78 -35.91 -16.79 -35.58 -36.22 -15.25 -36.69 -37.10 -15.81 2 0 23.77-999 ?-999 ?-999 ? C2 A B 4 mARG~A 392 -35.50 -34.47 -16.92 -36.39 -34.28 -16.52 -33.63 -32.94 -17.55 -32.63 -32.93 -18.27 -34.89 -33.69 -18.00 -35.92 -32.74 -18.62 2 0 24.98-999 ?-999 ?-999 ? C2 A B 4 mALA~A 393 -33.69 -32.30 -16.39 -34.58 -32.32 -15.95 -31.34 -32.59 -15.69 -30.22 -32.27 -16.08 -32.51 -31.63 -15.83 -32.82 -31.01 -14.47 2 0 22.23-999 ?-999 ?-999 ? C2 A B 4 mLEU~A 394 -31.60 -33.77 -15.13 -32.55 -33.89 -14.84 -29.98 -35.17 -16.32 -28.77 -35.30 -16.49 -30.55 -34.77 -14.96 -31.09 -36.01 -14.24 3 0 19.59-999 ?-999 ?-999 ? C2 A B 4 mGLN~A 395 -30.86 -35.35 -17.29 -31.81 -35.15 -17.04 -29.53 -34.74 -19.28 -28.55 -35.08 -19.93 -30.44 -35.79 -18.60 -31.66 -36.14 -19.45 2 0 21.85-999 ?-999 ?-999 ? C2 A B 4 mARG~A 396 -29.84 -33.46 -19.09 -30.66 -33.30 -18.54 -27.66 -32.34 -18.96 -26.62 -32.17 -19.60 -29.01 -32.40 -19.66 -29.71 -31.04 -19.54 2 0 22.16-999 ?-999 ?-999 ? C2 A B 4 mLEU~A 397 -27.66 -32.47 -17.64 -28.57 -32.58 -17.23 -25.53 -33.62 -17.27 -24.35 -33.45 -17.56 -26.41 -32.44 -16.89 -26.68 -32.45 -15.38 3 0 18.47-999 ?-999 ?-999 ? C2 A B 4 mMET~A 398 -26.12 -34.82 -17.28 -27.09 -34.81 -17.04 -24.84 -36.01 -19.04 -23.82 -36.61 -19.32 -25.38 -36.04 -17.61 -26.26 -37.27 -17.46 2 0 17.86-999 ?-999 ?-999 ? C2 A B 4 mTHR~A 399 -25.54 -35.35 -19.95 -26.39 -34.94 -19.63 -23.71 -34.54 -21.29 -22.72 -34.98 -21.86 -25.04 -35.27 -21.32 -26.01 -34.49 -22.21 2 0 20.90-999 ?-999 ?-999 ? C2 A B 4 mSER~A 400 -23.68 -33.43 -20.58 -24.54 -33.19 -20.12 -21.36 -33.39 -19.75 -20.19 -33.38 -20.15 -22.47 -32.63 -20.50 -22.78 -31.30 -19.82 2 0 19.51-999 ?-999 ?-999 ? C2 A B 4 mVAL~A 401 -21.73 -34.06 -18.68 -22.70 -33.98 -18.45 -20.17 -35.96 -18.78 -18.96 -36.15 -18.79 -20.78 -34.85 -17.92 -21.45 -35.47 -16.70 3 0 16.13-999 ?-999 ?-999 ? C2 A B 4 mTHR~A 402 -21.01 -36.67 -19.52 -21.97 -36.38 -19.48 -19.73 -37.32 -21.54 -18.86 -38.03 -22.03 -20.51 -37.79 -20.31 -21.64 -38.76 -20.71 2 0 18.16-999 ?-999 ?-999 ? C2 A B 4 mASN~A 403 -20.01 -36.11 -22.02 -20.80 -35.67 -21.60 -17.74 -35.22 -22.66 -16.83 -35.22 -23.49 -19.19 -35.51 -23.08 -19.84 -34.23 -23.62 2 0 20.04-999 ?-999 ?-999 ? O2 U B 3 mARG~A 404 -17.51 -34.95 -21.37 -18.33 -34.96 -20.80 -15.68 -35.84 -20.01 -14.83 -35.67 -19.14 -16.15 -34.68 -20.88 -16.10 -33.38 -20.06 2 0 16.95-999 ?-999 ?-999 ? O2 U B 3 mCYH~A 405 -16.24 -37.02 -20.24 -16.82 -37.05 -21.06 -14.55 -38.55 -19.13 -14.16 -38.89 -18.01 -16.02 -38.15 -19.35 -16.83 -39.36 -19.79 2 0 14.85-999 ?-999 ?-999 ? O2 U B 3 mGLN~A 406 -13.74 -38.54 -20.17 -14.14 -38.23 -21.03 -11.61 -37.96 -19.10 -10.93 -38.35 -18.16 -12.35 -38.96 -20.00 -11.63 -39.09 -21.34 2 0 14.01-999 ?-999 ?-999 ? O2 U B 3 mGLU~A 407 -11.78 -36.68 -19.39 -12.33 -36.51 -20.21 -11.65 -35.72 -17.09 -10.84 -35.56 -16.17 -11.20 -35.62 -18.56 -11.57 -34.24 -19.13 2 0 13.00-999 ?-999 ?-999 ? O2 U B 3 mLEU~A 408 -12.93 -35.97 -16.87 -13.49 -36.09 -17.69 -12.96 -37.31 -14.77 -12.59 -37.24 -13.60 -13.44 -36.05 -15.50 -14.96 -35.94 -15.48 3 0 10.80-999 ?-999 ?-999 ? O2 U B 3 mALA~A 409 -12.95 -38.44 -15.47 -13.25 -38.34 -16.42 -11.04 -39.72 -14.51 -10.65 -40.38 -13.55 -12.52 -39.70 -14.88 -12.84 -40.87 -15.81 2 0 9.19-999 ?-999 ?-999 ? O2 U B 3 mTHR~A 410 -10.22 -39.00 -15.27 -10.66 -38.52 -16.02 -8.39 -37.81 -14.07 -7.23 -37.70 -13.66 -8.78 -38.96 -14.99 -7.92 -38.93 -16.29 2 0 8.56-999 ?-999 ?-999 ? O2 U B 3 mASN~A 411 -9.35 -36.96 -13.73 -10.25 -37.17 -14.11 -9.00 -36.16 -11.40 -9.73 -37.02 -10.92 -9.07 -35.81 -12.88 -10.10 -34.70 -13.08 2 0 7.53-999 ?-999 ?-999 ? O2 U B 3 mGLU.A 412 -8.13 -35.46 -10.69 -7.65 -34.76 -11.22 -9.13 -35.58 -8.37 -9.19 -36.19 -7.31 -7.89 -35.70 -9.27 -6.81 -34.74 -8.76 2 0 5.00-999 ?-999 ?-999 ? O2 U B 3 mTYR.A 413 -10.09 -34.75 -8.76 -9.92 -34.28 -9.63 -12.52 -35.21 -8.59 -13.35 -35.82 -7.91 -11.29 -34.58 -7.95 -11.54 -33.09 -7.63 3 0 5.41-999 ?-999 ?-999 ? C1' A B 4 mALA~A 414 -12.64 -35.08 -9.91 -11.83 -34.73 -10.37 -14.02 -36.95 -10.78 -15.09 -37.43 -11.12 -13.88 -35.45 -10.58 -14.01 -34.71 -11.91 2 0 7.65-999 ?-999 ?-999 ? N3 A B 4 mASN~A 415 -12.92 -37.69 -10.59 -12.08 -37.18 -10.42 -14.04 -39.66 -9.64 -14.69 -40.66 -9.89 -13.00 -39.14 -10.64 -11.62 -39.80 -10.44 2 0 5.95-999 ?-999 ?-999 ? O2 U B 3 mTYR~A 416 -14.23 -38.96 -8.52 -13.62 -38.17 -8.43 -16.65 -39.22 -8.06 -17.52 -40.04 -7.74 -15.23 -39.34 -7.52 -15.10 -38.47 -6.25 3 0 5.06-999 ?-999 ?-999 ? C2 A B 4 mILE~A 417 -16.88 -38.21 -8.88 -16.10 -37.60 -9.02 -18.46 -39.15 -10.51 -19.55 -39.72 -10.52 -18.19 -38.02 -9.52 -18.29 -36.65 -10.23 3 0 7.25-999 ?-999 ?-999 ? C2 A B 4 mILE~A 418 -17.44 -39.49 -11.31 -16.60 -38.96 -11.19 -17.86 -41.88 -11.55 -18.71 -42.67 -11.95 -17.61 -40.57 -12.28 -16.40 -40.71 -13.22 3 0 9.68-999 ?-999 ?-999 ? O4 U B 3 mGLN~A 419 -17.11 -42.12 -10.48 -16.43 -41.41 -10.28 -18.75 -43.37 -9.13 -19.37 -44.43 -9.12 -17.32 -43.32 -9.67 -16.35 -43.38 -8.49 2 0 7.33-999 ?-999 ?-999 ? O4 U B 3 mHIS~A 420 -19.26 -42.24 -8.66 -18.67 -41.43 -8.73 -21.66 -42.62 -9.14 -22.60 -43.35 -8.83 -20.60 -42.24 -8.10 -20.97 -40.87 -7.53 3 0 8.70-999 ?-999 ?-999 ? N1 A B 4 mILE~A 421 -21.51 -42.12 -10.36 -20.70 -41.55 -10.49 -22.43 -43.89 -11.77 -23.45 -44.56 -11.92 -22.48 -42.41 -11.40 -22.24 -41.53 -12.64 3 0 12.21-999 ?-999 ?-999 ? N1 A B 4 mVAL~A 422 -21.22 -44.40 -11.88 -20.47 -43.75 -11.73 -21.54 -46.74 -11.10 -22.12 -47.78 -11.39 -21.02 -45.81 -12.19 -19.53 -46.07 -12.51 3 0 12.07-999 ?-999 ?-999 ? O4 U B 3 mSER~A 423 -21.38 -46.35 -9.84 -20.97 -45.44 -9.75 -23.25 -47.15 -8.36 -23.72 -47.97 -7.58 -21.76 -47.19 -8.71 -21.00 -46.75 -7.46 2 0 11.58-999 ?-999 ?-999 ? O4 U B 3 mASN~A 424 -23.99 -46.19 -8.91 -23.52 -45.65 -9.60 -26.37 -46.64 -9.44 -26.50 -46.22 -10.58 -25.37 -45.99 -8.49 -25.68 -44.49 -8.34 2 0 13.95-999 ?-999 ?-999 ? N1 A B 4 mASP.A 425 -27.07 -47.66 -8.96 -26.87 -47.90 -8.01 -29.12 -47.42 -10.31 -29.65 -47.62 -11.40 -28.05 -48.36 -9.80 -28.68 -49.53 -9.05 2 0 17.74-999 ?-999 ?-999 ? N1 A B 4 mASP.A 426 -29.43 -46.40 -9.53 -28.93 -46.35 -8.67 -30.00 -44.54 -11.09 -30.79 -43.79 -11.66 -30.46 -45.44 -9.94 -30.95 -44.62 -8.74 2 0 18.22-999 ?-999 ?-999 ? N1 A B 4 mLEU~A 427 -28.72 -44.66 -11.45 -28.19 -45.28 -10.88 -27.66 -44.92 -13.64 -26.80 -44.59 -14.45 -28.16 -43.93 -12.59 -27.01 -43.01 -12.14 3 0 17.25-999 ?-999 ?-999 ? N1 A B 4 mALA~A 428 -28.24 -46.12 -13.62 -28.99 -46.20 -12.97 -27.65 -46.80 -15.94 -26.66 -47.14 -16.58 -27.79 -47.21 -14.49 -28.71 -48.42 -14.37 2 0 19.17-999 ?-999 ?-999 ? O4 U B 3 mVAL~A 429 -28.62 -46.07 -16.48 -29.37 -45.83 -15.87 -27.26 -44.81 -18.14 -26.62 -44.92 -19.19 -28.51 -45.68 -17.89 -29.80 -45.01 -18.43 3 0 21.34-999 ?-999 ?-999 ? O4 U B 3 mTYR~A 430 -26.87 -43.99 -17.17 -27.44 -44.03 -16.34 -24.41 -43.86 -17.09 -23.38 -43.57 -17.71 -25.70 -43.12 -17.34 -25.83 -41.83 -16.50 3 0 18.66-999 ?-999 ?-999 ? O4 U B 3 mARG~A 431 -24.47 -44.83 -16.20 -25.33 -44.90 -15.70 -22.94 -46.45 -17.31 -21.76 -46.53 -17.67 -23.33 -45.72 -16.01 -23.65 -46.72 -14.90 2 0 16.18-999 ?-999 ?-999 ? O4 U B 3 mGLU~A 432 -23.93 -47.00 -18.02 -24.85 -46.84 -17.65 -23.11 -46.85 -20.34 -22.25 -47.24 -21.14 -23.63 -47.75 -19.23 -24.86 -48.51 -19.70 2 0 19.02-999 ?-999 ?-999 ? O4 U B 3 mCYH~A 433 -23.64 -45.63 -20.38 -24.37 -45.47 -19.72 -21.67 -44.36 -21.07 -20.87 -44.35 -22.00 -23.16 -44.63 -21.31 -23.98 -43.35 -21.15 2 0 19.86-999 ?-999 ?-999 ? O4 U B 3 mILE~A 434 -21.31 -44.13 -19.80 -22.07 -44.15 -19.15 -18.99 -45.06 -19.76 -17.90 -44.90 -20.30 -19.92 -43.88 -19.43 -19.81 -43.58 -17.92 3 0 16.45-999 ?-999 ?-999 ? O4 U B 3 mILE~A 435 -19.44 -46.27 -19.44 -20.34 -46.28 -19.01 -18.41 -47.65 -21.23 -17.27 -47.85 -21.67 -18.64 -47.45 -19.72 -19.30 -48.70 -19.14 3 0 16.61-999 ?-999 ?-999 ? O4 U B 3 mGLU~A 436 -19.48 -47.56 -22.01 -20.33 -47.35 -21.52 -18.63 -46.67 -24.18 -17.79 -46.95 -25.03 -19.40 -47.77 -23.45 -20.80 -47.88 -24.07 2 0 20.03-999 ?-999 ?-999 ? N2 G B 2 mLYS~A 437 -18.91 -45.43 -23.84 -19.49 -45.33 -23.03 -17.08 -43.77 -24.09 -16.37 -43.02 -24.77 -18.39 -44.32 -24.62 -19.43 -43.19 -24.72 2 0 20.50-999 ?-999 ?-999 ? O4 U B 3 mCYH~A 438 -16.73 -44.14 -22.87 -17.34 -44.80 -22.43 -14.50 -44.66 -21.83 -13.30 -44.53 -22.12 -15.53 -43.60 -22.27 -15.92 -42.73 -21.08 2 0 17.36-999 ?-999 ?-999 ? N2 G B 2 mLEU.A 439 -14.94 -45.68 -21.11 -15.94 -45.72 -21.01 -13.56 -47.72 -21.50 -12.38 -48.06 -21.56 -14.01 -46.65 -20.52 -14.61 -47.32 -19.28 3 0 14.61-999 ?-999 ?-999 ? N2 G B 2 mMET.A 440 -14.52 -48.28 -22.24 -15.43 -47.89 -22.09 -13.18 -48.96 -24.20 -13.23 -47.87 -24.75 -14.25 -49.36 -23.19 -15.53 -49.77 -23.93 2 0 17.10-999 ?-999 ?-999 ? N2 G B 2 mARG.A 441 -12.24 -49.86 -24.45 -12.36 -50.70 -23.91 -10.00 -48.87 -24.77 -8.95 -48.71 -25.38 -11.13 -49.66 -25.39 -11.60 -49.03 -26.71 2 0 18.15-999 ?-999 ?-999 ? N2 G B 2 mASN~A 442 -10.22 -48.39 -23.54 -11.12 -48.61 -23.17 -8.88 -48.22 -21.47 -8.27 -47.56 -20.63 -9.22 -47.61 -22.83 -9.71 -46.16 -22.63 2 0 15.18-999 ?-999 ?-999 ? N2 G B 2 mLEU~A 443 -9.30 -49.46 -21.24 -9.70 -49.92 -22.03 -7.70 -50.19 -19.49 -7.36 -49.87 -18.35 -9.15 -50.06 -19.91 -9.87 -51.42 -19.82 3 0 12.48-999 ?-999 ?-999 ? N2 G B 2 mLEU~A 444 -6.84 -50.65 -20.39 -7.24 -50.85 -21.29 -4.77 -49.53 -19.60 -4.16 -49.47 -18.54 -5.44 -50.84 -20.05 -4.67 -51.47 -21.22 3 0 12.65-999 ?-999 ?-999 ? N2 G B 2 mSER~A 445 -4.91 -48.47 -20.39 -5.45 -48.62 -21.21 -4.90 -46.55 -18.79 -4.20 -46.03 -17.93 -4.27 -47.21 -20.02 -4.23 -46.24 -21.20 2 0 12.47-999 ?-999 ?-999 ? N2 G B 2 mLEU~A 446 -6.23 -46.57 -18.70 -6.70 -47.00 -19.47 -6.52 -46.74 -16.25 -6.40 -46.14 -15.19 -6.91 -46.00 -17.53 -8.43 -46.01 -17.73 3 0 9.87-999 ?-999 ?-999 ? N2 G B 2 mSER~A 447 -6.30 -48.04 -16.37 -6.42 -48.39 -17.30 -4.55 -48.47 -14.68 -4.24 -48.79 -13.53 -5.91 -48.86 -15.23 -5.86 -50.33 -15.65 2 0 7.52-999 ?-999 ?-999 ? N2 G B 2 mGLN~A 448 -3.73 -47.81 -15.50 -4.10 -47.64 -16.41 -2.36 -45.96 -14.56 -1.28 -45.44 -14.24 -2.40 -47.40 -15.06 -1.36 -47.60 -16.17 2 0 8.50-999 ?-999 ?-999 ? N2 G B 2 mGLU.A 449 -3.51 -45.33 -14.45 -4.31 -45.85 -14.75 -3.94 -43.93 -12.44 -4.78 -44.71 -11.99 -3.56 -43.96 -13.91 -4.53 -43.11 -14.72 2 0 7.94-999 ?-999 ?-999 ? N2 G B 2 mLYS.A 450 -3.31 -43.02 -11.70 -2.66 -42.46 -12.21 -5.04 -42.67 -9.97 -5.61 -43.35 -9.13 -3.57 -42.88 -10.27 -2.76 -41.72 -9.68 2 0 5.11-999 ?-999 ?-999 ? O2' G B 2 mPHE~A 451 -5.68 -41.74 -10.67 -5.14 -41.29 -11.38 -8.05 -42.36 -11.14 -8.94 -42.92 -10.53 -7.07 -41.45 -10.38 -7.36 -39.96 -10.56 3 0 4.60-999 ?-999 ?-999 ? O2 U B 3 mALA~A 452 -7.85 -42.53 -12.45 -7.04 -42.07 -12.81 -8.82 -44.82 -12.90 -9.82 -45.49 -13.19 -8.76 -43.34 -13.26 -8.47 -43.16 -14.74 2 0 7.31-999 ?-999 ?-999 ? N2 G B 2 mSER~A 453 -7.75 -45.35 -12.30 -6.99 -44.72 -12.15 -8.95 -47.07 -10.98 -9.52 -48.17 -11.02 -7.75 -46.76 -11.90 -6.40 -47.21 -11.27 2 0 4.30-999 ?-999 ?-999 ? N2 G B 2 mHIS~A 454 -9.34 -46.09 -10.16 -8.80 -45.25 -10.23 -11.82 -46.34 -10.00 -12.73 -47.04 -9.58 -10.48 -46.27 -9.26 -10.53 -45.14 -8.22 3 0 4.21-999 ?-999 ?-999 ? N2 G B 2 mVAL~A 455 -11.94 -45.57 -11.08 -11.14 -44.98 -11.25 -13.20 -46.94 -12.64 -14.29 -47.50 -12.78 -13.11 -45.58 -11.94 -13.04 -44.47 -12.99 3 0 7.16-999 ?-999 ?-999 ? O4 U B 3 mVAL~A 456 -12.06 -47.47 -13.05 -11.25 -46.91 -12.86 -12.50 -49.88 -12.77 -13.27 -50.75 -13.18 -12.02 -48.78 -13.71 -10.62 -49.13 -14.24 3 0 7.87-999 ?-999 ?-999 ? N2 G B 2 mGLU~A 457 -12.07 -49.84 -11.52 -11.39 -49.13 -11.32 -14.10 -50.74 -10.37 -14.77 -51.77 -10.35 -12.57 -50.81 -10.54 -11.91 -50.61 -9.18 2 0 6.97-999 ?-999 ?-999 ? N2 G B 2 mLYS~A 458 -14.64 -49.53 -10.23 -13.98 -48.78 -10.22 -16.83 -49.92 -11.31 -17.89 -50.53 -11.17 -16.09 -49.36 -10.10 -16.46 -47.89 -9.90 2 0 9.02-999 ?-999 ?-999 ? O4 U B 3 mALA~A 459 -16.24 -49.75 -12.48 -15.35 -49.29 -12.44 -16.93 -51.72 -13.79 -17.93 -52.27 -14.22 -16.86 -50.20 -13.72 -16.14 -49.64 -14.90 2 0 11.84-999 ?-999 ?-999 ? N2 G B 2 mPHE~A 460 -15.87 -52.39 -13.37 -15.09 -51.82 -13.11 -16.90 -54.33 -12.29 -17.58 -55.33 -12.53 -15.88 -53.84 -13.30 -14.50 -54.40 -12.92 3 0 12.12-999 ?-999 ?-999 ? N2 G B 2 mLEU~A 461 -17.00 -53.64 -11.15 -16.42 -52.83 -11.12 -19.36 -53.89 -10.38 -20.19 -54.64 -9.87 -17.88 -54.06 -10.06 -17.56 -53.30 -8.76 3 0 12.73-999 ?-999 ?-999 ? N1 G B 2 mHIS~A 462 -19.69 -52.91 -11.23 -18.92 -52.48 -11.68 -21.59 -52.65 -12.87 -22.75 -52.36 -13.13 -21.09 -52.53 -11.44 -21.33 -51.09 -10.95 3 0 14.71-999 ?-999 ?-999 ? O4 U B 3 mALA~A 463 -20.72 -53.03 -13.81 -19.79 -53.18 -13.47 -22.17 -54.31 -15.29 -22.07 -55.30 -14.57 -21.13 -53.19 -15.20 -19.92 -53.53 -16.09 2 0 16.92-999 ?-999 ?-999 ? N2 G B 2 mPRO~A 464 -23.16 -54.14 -16.17 -23.20 -53.24 -16.60 -23.33 -56.33 -17.14 -22.35 -56.03 -17.84 -24.11 -55.22 -16.45 -25.09 -54.61 -17.46 3 0 20.64-999 ?-999 ?-999 ? N2 G B 2 mLEU~A 465 -23.77 -57.57 -16.97 -24.67 -57.64 -16.54 -22.53 -58.66 -18.86 -21.42 -59.07 -19.17 -22.99 -58.73 -17.40 -23.72 -60.04 -17.11 3 0 21.67-999 ?-999 ?-999 ? N2 G B 2 mGLU~A 466 -23.37 -58.13 -19.74 -24.25 -57.83 -19.36 -21.78 -57.08 -21.33 -20.88 -57.40 -22.09 -22.99 -58.01 -21.14 -24.17 -57.53 -21.99 2 0 23.24-999 ?-999 ?-999 ? N2 G B 2 mLEU~A 467 -21.76 -55.95 -20.65 -22.57 -55.77 -20.08 -19.41 -55.63 -20.02 -18.27 -55.52 -20.48 -20.61 -55.06 -20.76 -20.94 -53.65 -20.26 3 0 20.20-999 ?-999 ?-999 ? N2 G B 2 mLEU~A 468 -19.67 -56.26 -18.87 -20.63 -56.27 -18.61 -17.81 -57.87 -18.94 -16.58 -57.88 -18.90 -18.60 -56.88 -18.08 -19.18 -57.57 -16.85 3 0 18.01-999 ?-999 ?-999 ? N2 G B 2 mALA~A 469 -18.52 -58.68 -19.72 -19.51 -58.57 -19.65 -17.01 -58.97 -21.66 -15.94 -59.47 -22.00 -17.88 -59.65 -20.62 -18.93 -60.55 -21.31 2 0 20.58-999 ?-999 ?-999 ? N2 G B 2 mGLU~A 470 -17.45 -57.82 -22.18 -18.37 -57.56 -21.89 -15.38 -56.48 -22.42 -14.30 -56.43 -23.01 -16.62 -57.05 -23.11 -17.41 -55.91 -23.74 2 0 20.32-999 ?-999 ?-999 ? N2 G B 2 mMET~A 471 -15.52 -56.06 -21.17 -16.45 -56.11 -20.81 -13.32 -56.63 -20.17 -12.12 -56.40 -20.32 -14.36 -55.54 -20.42 -14.82 -54.93 -19.09 2 0 16.54-999 ?-999 ?-999 ? N2 G B 2 mMET~A 472 -13.80 -57.81 -19.78 -14.80 -57.83 -19.68 -12.20 -59.34 -20.77 -10.98 -59.46 -20.76 -12.94 -58.95 -19.51 -13.77 -60.13 -19.00 2 0 17.21-999 ?-999 ?-999 ? N2 G B 2 mASP~A 473 -12.94 -59.51 -21.87 -13.92 -59.40 -21.71 -11.29 -58.81 -23.57 -10.27 -59.16 -24.16 -12.35 -59.83 -23.17 -13.42 -59.86 -24.27 2 0 20.21-999 ?-999 ?-999 ? N2 G B 2 mGLU~A 474 -11.54 -57.54 -23.26 -12.40 -57.39 -22.76 -9.29 -56.71 -22.93 -8.23 -56.56 -23.52 -10.61 -56.50 -23.65 -11.18 -55.11 -23.34 2 0 18.40-999 ?-999 ?-999 ? N2 G B 2 mILE~A 475 -9.35 -57.03 -21.64 -10.27 -57.05 -21.25 -7.46 -58.65 -21.33 -6.26 -58.69 -21.56 -8.13 -57.33 -20.88 -8.38 -57.35 -19.36 3 0 16.17-999 ?-999 ?-999 ? N2 G B 2 mPHE~A 476 -8.23 -59.72 -21.46 -9.21 -59.56 -21.36 -7.12 -61.16 -23.16 -6.17 -61.90 -23.43 -7.63 -61.03 -21.73 -8.61 -62.16 -21.44 3 0 19.16-999 ?-999 ?-999 ? N2 G B 2 mASP~A 477 -7.75 -60.45 -24.07 -8.49 -59.87 -23.72 -6.75 -59.21 -25.90 -6.84 -58.82 -27.06 -7.37 -60.53 -25.47 -8.59 -60.87 -26.32 2 0 21.71-999 ?-999 ?-999 ? N2 G B 2 mGLY.A 478 -6.13 -58.53 -24.94 -6.12 -58.98 -24.05 -4.16 -57.32 -25.87 -3.14 -57.54 -25.19 -5.51 -57.24 -25.20-999.99-999.99-999.99 1 0 19.78-999 ?-999 ?-999 ? N2 G B 2 mTYR.A 479 -4.13 -57.13 -27.19 -5.04 -56.99 -27.60 -2.09 -55.82 -27.80 -2.60 -54.73 -28.09 -2.88 -57.12 -27.96 -3.15 -57.37 -29.45 3 0 22.50-999 ?-999 ?-999 ? N2 G B 2 mILE.A 480 -0.85 -55.97 -27.34 -0.63 -56.92 -27.10 1.04 -54.80 -28.39 1.98 -55.60 -28.48 0.09 -54.86 -27.18 0.97 -55.03 -25.92 3 0 21.72-999 ?-999 ?-999 ? N2 G B 2 mPRO.A 481 0.79 -53.84 -29.30 0.03 -53.25 -29.06 3.09 -53.73 -30.25 3.80 -54.52 -30.86 1.58 -53.69 -30.53 1.16 -52.31 -31.04 3 0 24.90-999 ?-999 ?-999 ? N2 G B 2 mHIS.A 482 3.55 -52.88 -29.34 2.85 -52.28 -28.94 5.11 -52.88 -27.45 5.16 -51.84 -26.79 4.95 -52.84 -28.96 5.63 -51.60 -29.56 3 0 24.58-999 ?-999 ?-999 ? O2 U B 1 mPRO.A 483 5.18 -54.11 -26.90 5.15 -54.83 -27.58 6.59 -53.88 -24.87 7.63 -54.50 -25.07 5.28 -54.39 -25.46 5.26 -55.93 -25.42 3 0 21.39-999 ?-999 ?-999 ? O2 U B 1 mASP.A 484 6.52 -52.77 -24.15 5.61 -52.36 -24.09 7.66 -52.40 -22.00 8.69 -52.34 -21.33 7.71 -52.22 -23.52 7.90 -50.74 -23.88 2 0 20.11-999 ?-999 ?-999 ? O2 U B 1 mTHR.A 485 6.47 -52.65 -21.47 5.73 -52.77 -22.14 5.72 -54.07 -19.56 5.44 -54.26 -18.38 6.28 -52.72 -20.02 5.41 -51.53 -19.51 2 0 16.37-999 ?-999 ?-999 ? O2 U B 1 mGLY.A 486 5.59 -55.01 -20.50 5.94 -54.74 -21.40 4.37 -56.90 -21.52 4.02 -56.17 -22.44 4.98 -56.31 -20.25-999.99-999.99-999.99 1 0 16.78-999 ?-999 ?-999 ? O2 U B 1 mLYS.A 487 4.23 -58.22 -21.57 4.41 -58.69 -20.71 2.40 -58.64 -23.23 2.09 -58.62 -24.43 3.85 -58.89 -22.81 4.11 -60.40 -22.70 2 0 19.70-999 ?-999 ?-999 ? O2 U B 1 mASP~A 488 1.51 -58.46 -22.26 1.90 -58.45 -21.34 -0.55 -57.48 -21.44 0.10 -57.18 -20.45 0.09 -58.28 -22.56 -0.60 -59.65 -22.78 2 0 18.89-999 ?-999 ?-999 ? O2 U B 1 mALA~A 489 -1.83 -57.13 -21.60 -2.28 -57.54 -22.39 -2.41 -56.76 -19.23 -1.99 -56.07 -18.30 -2.47 -56.22 -20.66 -3.90 -55.94 -21.08 2 0 15.92-999 ?-999 ?-999 ? N2 G B 2 mLEU~A 490 -2.79 -58.02 -19.08 -3.12 -58.45 -19.92 -1.35 -58.60 -17.16 -1.21 -58.27 -15.98 -2.74 -58.69 -17.79 -3.12 -60.15 -18.00 3 0 15.01-999 ?-999 ?-999 ? O2 U B 1 mASP~A 491 -0.32 -58.85 -17.96 -0.56 -59.07 -18.91 1.48 -57.40 -17.03 2.11 -57.22 -15.99 1.05 -58.81 -17.47 2.02 -59.32 -18.53 2 0 14.53-999 ?-999 ?-999 ? O2 U B 1 mILE~A 492 1.17 -56.40 -17.84 0.77 -56.69 -18.71 0.65 -54.64 -16.19 1.23 -54.08 -15.27 1.41 -55.01 -17.49 0.96 -54.07 -18.64 3 0 13.11-999 ?-999 ?-999 ? O2 U B 1 mMET~A 493 -0.64 -54.96 -16.12 -0.99 -55.47 -16.90 -1.04 -55.22 -13.62 -0.99 -54.57 -12.58 -1.44 -54.55 -14.95 -2.94 -54.73 -15.22 2 0 10.61-999 ?-999 ?-999 ? O2 U B 1 mMET~A 494 -0.77 -56.52 -13.66 -0.81 -56.93 -14.58 0.75 -56.66 -11.72 0.80 -56.72 -10.50 -0.43 -57.26 -12.45 -0.13 -58.74 -12.76 2 0 9.47-999 ?-999 ?-999 ? O2 U B 1 mPHE~A 495 1.69 -56.10 -12.47 1.45 -56.03 -13.44 3.06 -54.13 -11.91 4.12 -53.58 -11.69 2.95 -55.64 -11.90 4.13 -56.27 -12.65 3 0 8.57-999 ?-999 ?-999 ? O2 U B 1 mHIS.A 496 1.93 -53.46 -12.17 1.14 -54.03 -12.35 1.42 -51.49 -10.83 0.61 -52.12 -10.17 1.90 -52.01 -12.18 0.97 -51.51 -13.29 3 0 7.51-999 ?-999 ?-999 ? O2 U B 1 mGLN.A 497 1.93 -50.33 -10.42 2.52 -49.89 -11.09 0.16 -49.45 -8.90 -0.32 -49.48 -7.76 1.63 -49.76 -9.11 2.47 -48.48 -8.87 2 0 4.84-999 ?-999 ?-999 ? O2 U B 1 mPHE~A 498 -0.57 -49.13 -9.97 -0.06 -49.08 -10.83 -2.82 -50.00 -10.49 -3.88 -50.39 -9.97 -2.01 -48.88 -9.85 -2.41 -47.53 -10.46 3 0 5.11-999 ?-999 ?-999 ? N3 G B 2 mGLY~A 499 -2.33 -50.50 -11.62 -1.46 -50.10 -11.91 -3.24 -52.82 -11.53 -4.23 -53.52 -11.73 -3.03 -51.55 -12.35-999.99-999.99-999.99 1 0 6.97-999 ?-999 ?-999 ? N2 G B 2 mASN~A 500 -2.32 -53.13 -10.62 -1.57 -52.47 -10.53 -3.77 -54.42 -9.06 -4.29 -55.51 -8.80 -2.44 -54.35 -9.83 -1.24 -54.54 -8.88 2 0 6.19-999 ?-999 ?-999 ? N3 U B 1 mTYR~A 501 -4.31 -53.26 -8.69 -3.77 -52.46 -8.95 -6.76 -53.54 -8.86 -7.75 -54.14 -8.40 -5.59 -53.17 -7.97 -5.80 -51.78 -7.38 3 0 5.08-999 ?-999 ?-999 ? N1 G B 2 mVAL~A 502 -6.66 -53.19 -10.13 -5.84 -52.68 -10.37 -7.77 -55.07 -11.27 -8.85 -55.66 -11.34 -7.70 -53.55 -11.09 -7.48 -52.85 -12.42 3 0 6.61-999 ?-999 ?-999 ? N2 G B 2 mVAL~A 503 -6.61 -55.72 -11.32 -5.79 -55.16 -11.22 -7.12 -57.87 -10.28 -7.81 -58.88 -10.39 -6.59 -57.16 -11.51 -5.20 -57.70 -11.88 3 0 9.69-999 ?-999 ?-999 ? O4 U B 1 mGLN~A 504 -6.78 -57.35 -9.10 -6.19 -56.55 -9.15 -8.78 -57.83 -7.83 -9.48 -58.73 -7.36 -7.27 -57.93 -7.85 -6.70 -57.19 -6.64 2 0 7.50-999 ?-999 ?-999 ? O4 U B 1 mCYH~A 505 -9.28 -56.71 -8.34 -8.59 -56.05 -8.63 -11.36 -57.51 -9.40 -12.37 -58.12 -9.05 -10.70 -56.49 -8.45 -10.95 -55.06 -8.93 2 0 8.62-999 ?-999 ?-999 ? O6 G B 2 mMET~A 506 -10.80 -57.68 -10.59 -10.03 -57.07 -10.78 -11.38 -60.07 -10.87 -12.33 -60.83 -11.05 -11.31 -58.69 -11.53 -10.43 -58.78 -12.78 2 0 12.15-999 ?-999 ?-999 ? N1 G B 2 mLEU~A 507 -10.34 -60.39 -10.11 -9.67 -59.65 -9.99 -11.25 -61.94 -8.44 -11.88 -63.00 -8.38 -10.20 -61.71 -9.51 -8.80 -61.88 -8.90 3 0 12.24-999 ?-999 ?-999 ? O4 U B 1 mTHR~A 508 -11.42 -60.93 -7.60 -10.86 -60.12 -7.78 -13.79 -61.18 -7.05 -14.59 -61.92 -6.51 -12.37 -61.03 -6.50 -12.27 -59.81 -5.58 2 0 12.25-999 ?-999 ?-999 ? O4 U B 1 mILE~A 509 -14.07 -60.47 -8.13 -13.33 -59.87 -8.45 -15.65 -61.98 -9.25 -16.75 -62.50 -9.06 -15.37 -60.56 -8.78 -15.46 -59.61 -9.99 3 0 14.11-999 ?-999 ?-999 ? O6 G B 2 mCYH~A 510 -14.66 -62.60 -9.88 -13.81 -62.07 -9.96 -15.00 -64.96 -9.26 -15.89 -65.82 -9.30 -14.84 -63.96 -10.39 -13.68 -64.37 -11.30 2 0 17.09-999 ?-999 ?-999 ? O4 U B 1 mCYH~A 511 -14.14 -64.85 -8.25 -13.46 -64.12 -8.35 -15.56 -65.58 -6.40 -16.14 -66.57 -5.95 -14.22 -65.74 -7.10 -13.08 -65.46 -6.13 2 0 16.60-999 ?-999 ?-999 ? O4 U B 1 mASP~A 512 -16.05 -64.35 -6.32 -15.46 -63.64 -6.70 -18.47 -64.72 -6.52 -19.42 -65.26 -5.95 -17.35 -64.08 -5.71 -17.61 -62.57 -5.58 2 0 17.33-999 ?-999 ?-999 ? O6 G B 2 mALA~A 513 -18.37 -64.65 -7.84 -17.55 -64.18 -8.17 -19.44 -66.74 -8.53 -20.50 -67.32 -8.27 -19.38 -65.23 -8.71 -19.08 -64.90 -10.15 2 0 19.97-999 ?-999 ?-999 ? O6 G B 2 mVAL~A 514 -18.28 -67.38 -8.67 -17.49 -66.78 -8.77 -18.58 -69.42 -7.32 -19.07 -70.55 -7.24 -18.21 -68.83 -8.68 -16.82 -69.31 -9.12 3 0 21.87-999 ?-999 ?-999 ? O4 U B 1 mSER~A 515 -18.40 -68.64 -6.26 -18.04 -67.73 -6.47 -20.10 -68.65 -4.41 -20.41 -68.81 -3.23 -18.72 -69.11 -4.92 -17.61 -68.70 -3.94 2 0 21.79-999 ?-999 ?-999 ? O4 U B 1 mGLY.A 516 -20.91 -68.07 -5.29 -20.52 -67.93 -6.19 -22.45 -66.37 -4.21 -23.59 -65.96 -3.96 -22.27 -67.70 -4.93-999.99-999.99-999.99 1 0 23.13-999 ?-999 ?-999 ? O6 G B 2 mARG.A 517 -21.35 -65.69 -3.89 -20.50 -66.13 -4.17 -21.91 -63.28 -4.11 -22.21 -62.17 -3.65 -21.42 -64.40 -3.19 -20.06 -64.02 -2.59 2 0 20.08-999 ?-999 ?-999 ? O6 G B 2 mARG.A 518 -21.96 -63.56 -5.40 -21.64 -64.48 -5.64 -23.38 -63.29 -7.35 -23.11 -64.43 -7.75 -22.45 -62.59 -6.37 -21.30 -61.92 -7.12 2 0 19.75-999 ?-999 ?-999 ? O6 G B 2 mGLN.A 519 -24.46 -62.62 -7.71 -24.58 -61.74 -7.24 -24.69 -63.29 -10.05 -23.92 -62.42 -10.47 -25.39 -63.14 -8.70 -26.59 -62.19 -8.83 2 0 22.75-999 ?-999 ?-999 ? O6 G B 2 mTHR.A 520 -24.94 -64.41 -10.73 -25.51 -65.07 -10.23 -25.57 -64.60 -13.05 -25.37 -64.61 -14.27 -24.42 -64.64 -12.07 -23.75 -66.02 -12.20 2 0 23.87-999 ?-999 ?-999 ? O6 G B 2 mLYS^A 521 -26.77 -64.58 -12.51 -26.78 -64.51 -11.51 -28.59 -63.28 -13.42 -29.27 -62.81 -12.50 -27.98 -64.66 -13.31 -28.96 -65.66 -12.70 2 0 26.93-999 ?-999 ?-999 ? O6 G B 2 mGLU^A 522 -28.33 -62.62 -14.54 -27.79 -63.12 -15.21 -30.04 -61.24 -15.66 -29.93 -61.51 -16.87 -28.83 -61.27 -14.75 -27.74 -60.36 -15.32 2 0 26.49-999 ?-999 ?-999 ? O6 G B 2 mGLY.A 523 -31.19 -60.91 -15.06 -31.11 -60.74 -14.08 -33.01 -62.15 -16.22 -33.69 -62.23 -17.24 -32.45 -60.81 -15.78-999.99-999.99-999.99 1 0 29.31-999 ?-999 ?-999 ? O4 U B 3 mGLY.A 524 -32.71 -63.20 -15.45 -32.14 -62.99 -14.66 -32.23 -65.38 -16.57 -32.50 -66.55 -16.85 -33.20 -64.53 -15.76-999.99-999.99-999.99 1 0 31.86-999 ?-999 ?-999 ? O6 G B 2 mTYR^A 525 -31.10 -64.79 -16.95 -31.00 -63.84 -16.63 -28.79 -65.67 -16.99 -28.35 -64.78 -16.26 -30.10 -65.48 -17.75 -29.87 -64.74 -19.07 3 0 30.75-999 ?-999 ?-999 ? O6 G B 2 mASP^A 526 -28.16 -66.84 -17.16 -28.52 -67.39 -17.91 -25.69 -67.21 -17.00 -25.43 -68.00 -17.92 -27.05 -67.23 -16.30 -27.33 -68.60 -15.65 2 0 28.92-999 ?-999 ?-999 ? O6 G B 2 mHIS~A 527 -24.82 -66.30 -16.56 -25.18 -65.75 -15.81 -22.42 -66.86 -16.30 -21.24 -66.52 -16.37 -23.48 -66.14 -17.11 -23.11 -64.66 -17.12 3 0 26.33-999 ?-999 ?-999 ? O6 G B 2 mALA~A 528 -22.84 -67.84 -15.51 -23.83 -68.00 -15.55 -20.75 -69.14 -15.46 -19.61 -69.15 -15.00 -21.92 -68.60 -14.66 -22.67 -69.76 -13.95 2 0 25.94-999 ?-999 ?-999 ? O6 G B 2 mILE~A 529 -21.02 -69.61 -16.66 -21.98 -69.50 -16.95 -18.90 -69.24 -17.87 -17.72 -69.60 -17.94 -19.99 -70.24 -17.48 -20.60 -70.90 -18.73 3 0 27.46-999 ?-999 ?-999 ? O6 G B 2 mSER~A 530 -19.29 -68.00 -18.13 -20.28 -67.86 -18.09 -17.45 -66.59 -17.26 -16.23 -66.48 -17.41 -18.33 -66.93 -18.45 -19.06 -65.69 -18.96 2 0 24.66-999 ?-999 ?-999 ? N2 G B 2 mPHE~A 531 -18.04 -66.45 -16.08 -19.04 -66.48 -16.09 -16.22 -67.39 -14.63 -15.07 -67.14 -14.25 -17.22 -66.26 -14.87 -18.10 -66.08 -13.62 3 0 21.96-999 ?-999 ?-999 ? O6 G B 2 mGLN~A 532 -16.65 -68.64 -14.83 -17.61 -68.71 -15.09 -14.62 -69.69 -15.68 -13.48 -69.99 -15.36 -15.75 -69.78 -14.68 -16.47 -71.11 -14.88 2 0 23.17-999 ?-999 ?-999 ? O4 U B 1 mASP~A 533 -14.95 -69.28 -16.90 -15.92 -69.11 -17.04 -12.92 -68.03 -17.50 -11.72 -68.27 -17.52 -13.93 -69.12 -17.91 -14.56 -68.79 -19.27 2 0 23.61-999 ?-999 ?-999 ? O4 U B 1 mTRP~A 534 -13.40 -66.85 -17.11 -14.40 -66.78 -17.09 -11.62 -66.17 -15.54 -10.43 -65.87 -15.50 -12.48 -65.77 -16.73 -13.23 -64.46 -16.42 3 0 20.20-999 ?-999 ?-999 ? O4 U B 1 mLEU~A 535 -12.22 -66.87 -14.58 -13.18 -67.08 -14.76 -10.42 -68.29 -13.73 -9.32 -68.26 -13.19 -11.51 -67.29 -13.38 -12.47 -67.93 -12.39 3 0 18.56-999 ?-999 ?-999 ? O4 U B 1 mLYS~A 536 -10.74 -69.18 -14.66 -11.68 -69.11 -15.00 -8.55 -69.50 -15.75 -7.41 -69.90 -15.50 -9.78 -70.18 -15.12 -10.45 -71.14 -16.10 2 0 20.87-999 ?-999 ?-999 ? O4 U B 1 mLYS~A 537 -8.78 -68.46 -16.55 -9.75 -68.23 -16.66 -6.81 -67.09 -16.12 -5.59 -67.13 -16.22 -7.69 -67.72 -17.18 -8.23 -66.61 -18.09 2 0 19.83-999 ?-999 ?-999 ? O4 U B 1 mLEU~A 538 -7.43 -66.50 -15.11 -8.43 -66.58 -15.14 -5.90 -66.80 -13.23 -4.76 -66.55 -12.85 -6.70 -65.80 -14.07 -7.66 -64.97 -13.20 3 0 16.12-999 ?-999 ?-999 ? O4 U B 1 mHIS~A 539 -6.52 -67.94 -12.94 -7.46 -67.99 -13.27 -4.64 -69.52 -12.94 -3.59 -69.71 -12.35 -5.86 -69.00 -12.19 -6.82 -70.15 -11.90 3 0 17.21-999 ?-999 ?-999 ? O4 U B 1 mSER~A 540 -4.78 -69.76 -14.25 -5.69 -69.57 -14.62 -2.52 -69.26 -15.06 -1.36 -69.64 -14.97 -3.65 -70.26 -15.04 -4.07 -70.58 -16.49 2 0 19.58-999 ?-999 ?-999 ? O4 U B 1 mARG~A 541 -2.86 -67.97 -15.20 -3.85 -67.81 -15.29 -1.12 -66.81 -13.88 0.10 -66.71 -13.84 -1.86 -66.92 -15.22 -2.47 -65.56 -15.59 2 0 17.14-999 ?-999 ?-999 ? O4 U B 1 mVAL~A 542 -1.87 -66.82 -12.78 -2.85 -66.89 -12.94 -0.41 -67.96 -11.14 0.64 -67.86 -10.51 -1.26 -66.72 -11.45 -2.32 -66.47 -10.36 3 0 14.60-999 ?-999 ?-999 ? O4 U B 1 mTHR~A 543 -0.86 -69.12 -11.60 -1.75 -69.08 -12.04 1.30 -70.20 -12.16 2.35 -70.34 -11.53 -0.06 -70.35 -11.45 -0.83 -71.56 -11.99 2 0 17.80-999 ?-999 ?-999 ? O4 U B 1 mLYS~A 544 1.27 -69.87 -13.44 0.36 -69.75 -13.83 3.42 -68.61 -13.66 4.64 -68.68 -13.79 2.51 -69.72 -14.20 2.21 -69.53 -15.69 2 0 19.24-999 ?-999 ?-999 ? O4 U B 1 mGLU~A 545 2.82 -67.60 -13.04 1.83 -67.71 -12.93 3.78 -66.39 -11.04 4.27 -65.39 -10.52 3.57 -66.43 -12.56 2.87 -65.13 -12.97 2 0 16.13-999 ?-999 ?-999 ? O4 U B 1 mARG~A 546 3.41 -67.46 -10.34 3.13 -68.25 -10.88 4.78 -66.99 -8.30 4.83 -66.26 -7.32 3.43 -67.43 -8.87 3.02 -68.78 -8.27 2 0 15.05-999 ?-999 ?-999 ? O4 U B 1 mHIS~A 547 5.86 -67.43 -8.93 5.68 -67.99 -9.73 7.47 -65.58 -8.53 8.08 -65.01 -7.62 7.21 -67.09 -8.46 8.26 -67.89 -9.25 3 0 16.49-999 ?-999 ?-999 ? O4 U B 1 mARG~A 548 7.00 -64.92 -9.59 6.57 -65.49 -10.28 6.18 -62.75 -8.72 6.57 -61.82 -8.01 7.14 -63.46 -9.68 6.91 -62.97 -11.12 2 0 14.34-999 ?-999 ?-999 ? N3 U B 1 mLEU~A 549 4.93 -63.21 -8.70 4.79 -64.02 -9.28 4.14 -62.67 -6.41 3.79 -61.76 -5.66 3.88 -62.59 -7.90 2.52 -63.23 -8.22 3 0 11.09-999 ?-999 ?-999 ? O4 U B 1 mSER~A 550 4.74 -63.77 -5.97 5.01 -64.42 -6.68 6.00 -62.98 -3.97 6.11 -62.82 -2.76 4.96 -63.97 -4.54 5.35 -65.43 -4.25 2 0 11.84-999 ?-999 ?-999 ? O4 U B 1 mARG.A 551 6.74 -62.30 -4.85 6.60 -62.58 -5.80 6.94 -59.97 -3.91 7.55 -59.13 -3.25 7.67 -61.23 -4.44 8.57 -60.80 -5.62 2 0 11.47-999 ?-999 ?-999 ? C6 U B 1 mPHE~A 552 5.65 -59.83 -4.21 5.25 -60.64 -4.65 3.64 -58.82 -3.11 2.98 -59.86 -3.26 4.92 -58.59 -3.92 4.59 -57.85 -5.22 3 0 7.68-999 ?-999 ?-999 ? C6 U B 1 mSER~A 553 3.28 -57.85 -2.26 3.91 -57.09 -2.22 0.79 -58.19 -2.34 -0.08 -58.98 -1.96 2.04 -57.95 -1.48 1.84 -56.69 -0.62 2 0 4.92-999 ?-999 ?-999 ? C5 U B 1 mSER~A 554 0.70 -57.50 -3.47 1.47 -56.89 -3.65 -0.51 -59.04 -4.97 -1.59 -59.60 -5.14 -0.46 -57.65 -4.36 -0.40 -56.62 -5.49 2 0 3.66-999 ?-999 ?-999 ? O4 U B 1 mGLY~A 555 0.65 -59.59 -5.31 1.45 -59.00 -5.18 0.31 -61.96 -4.81 -0.42 -62.90 -5.11 0.73 -60.94 -5.84-999.99-999.99-999.99 1 0 7.41-999 ?-999 ?-999 ? O4 U B 1 mLYS~A 556 0.77 -61.76 -3.58 1.34 -60.94 -3.49 -1.01 -62.66 -2.16 -1.57 -63.70 -1.81 0.47 -62.65 -2.47 1.24 -62.22 -1.23 2 0 8.38-999 ?-999 ?-999 ? O4 U B 1 mLYS~A 557 -1.64 -61.50 -2.27 -1.05 -60.72 -2.51 -3.87 -62.18 -3.12 -4.81 -62.89 -2.79 -3.09 -61.39 -2.07 -3.51 -59.93 -2.04 2 0 6.71-999 ?-999 ?-999 ? O4 U B 1 mMET~A 558 -3.47 -62.08 -4.39 -2.72 -61.44 -4.55 -3.96 -64.36 -5.20 -4.94 -65.11 -5.24 -4.12 -62.86 -5.44 -3.56 -62.49 -6.81 2 0 8.57-999 ?-999 ?-999 ? O4 U B 1 mILE~A 559 -2.72 -64.79 -4.94 -2.02 -64.07 -4.97 -3.31 -66.65 -3.49 -3.82 -67.77 -3.49 -2.43 -66.19 -4.65 -0.94 -66.38 -4.29 3 0 11.49-999 ?-999 ?-999 ? O4 U B 1 mGLU~A 560 -3.50 -65.76 -2.52 -3.04 -64.88 -2.67 -5.81 -66.11 -1.70 -6.53 -66.97 -1.19 -4.32 -66.06 -1.36 -4.06 -65.03 -0.25 2 0 11.56-999 ?-999 ?-999 ? O4 U B 1 mTHR~A 561 -6.27 -65.20 -2.54 -5.59 -64.53 -2.85 -7.99 -66.54 -3.63 -9.06 -67.12 -3.38 -7.66 -65.21 -2.98 -7.95 -64.06 -3.97 2 0 11.67-999 ?-999 ?-999 ? O4 U B 1 mLEU~A 562 -7.07 -67.04 -4.46 -6.24 -66.48 -4.54 -7.24 -69.49 -4.25 -8.07 -70.39 -4.36 -7.29 -68.29 -5.18 -6.28 -68.44 -6.33 3 0 14.50-999 ?-999 ?-999 ? O4 U B 1 mALA~A 563 -6.28 -69.50 -3.33 -5.66 -68.71 -3.37 -7.39 -70.64 -1.46 -7.81 -71.72 -1.03 -6.15 -70.58 -2.36 -4.88 -70.40 -1.53 2 0 16.24-999 ?-999 ?-999 ? O4 U B 1 mASN~A 564 -7.96 -69.48 -1.17 -7.51 -68.69 -1.58 -10.38 -69.93 -1.05 -11.32 -70.42 -0.42 -9.14 -69.38 -0.33 -9.37 -67.93 0.09 2 0 16.31-999 ?-999 ?-999 ? O4 U B 1 mLEU~A 565 -10.36 -69.83 -2.37 -9.54 -69.41 -2.76 -11.55 -71.84 -3.16 -12.63 -72.42 -3.19 -11.48 -70.32 -3.17 -11.42 -69.79 -4.60 3 0 17.99-999 ?-999 ?-999 ? O4 U B 1 mARG~A 566 -10.39 -72.50 -3.11 -9.57 -71.92 -3.13 -10.85 -74.43 -1.66 -10.07 -74.91 -0.84 -10.36 -73.95 -3.03 -8.97 -74.49 -3.35 2 0 20.75-999 ?-999 ?-999 ? O4 U B 1 mSER.A 567 -12.15 -74.27 -1.46 -12.62 -73.91 -2.26 -14.15 -73.76 -0.17 -14.81 -73.59 -1.20 -12.85 -74.56 -0.21 -11.98 -74.26 1.03 2 0 22.55-999 ?-999 ?-999 ? O4 U B 1