HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 09-JUL-09 3I8N COMPND UNCHARACTERIZED PROTEIN VP2912; COMPND 3 CHAIN: A, B; COMPND 4 FRAGMENT: RESIDUES189-315; COMPND 5 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: VIBRIO PARAHAEMOLYTICUS; SOURCE 3 ORGANISM_TAXID: 670; SOURCE 4 STRAIN: RIMD 2210633; SOURCE 5 GENE: VIBRIO PARAHAEMOLYTICUS, VP2912; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 7 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 8 EXPRESSION_SYSTEM_STRAIN: PPK1037; SOURCE 9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 10 EXPRESSION_SYSTEM_PLASMID: PMCSG19 AUTHOR K.TAN,C.TESAR,J.BEARDEN,A.JOACHIMIAK,MIDWEST CENTER FOR AUTHOR 2 STRUCTURAL GENOMICS (MCSG) HET MSE A 197 8 HET MSE A 210 8 HET MSE A 249 8 HET MSE A 263 8 HET MSE A 282 8 HET MSE A 283 8 HET MSE B 197 8 HET MSE B 210 8 HET MSE B 249 8 HET MSE B 263 8 HET MSE B 282 8 HET MSE B 283 8 HET FMT A 1 3 HET FMT B 2 3 SITE 1 AC1 4 HIS A 219 ASP A 221 ARG A 243 LEU A 244 SITE 1 AC2 2 HIS B 219 LYS B 220 mPRO.A 192 30.44 45.65 94.86 30.52 45.07 94.05 28.93 46.51 96.66 27.95 46.79 95.96 30.33 46.51 96.05 30.66 47.90 95.50 3 0 29.25-999 ?-999 ?-999 ? O2 FMT B 2 mVAL.A 193 28.83 46.18 97.95 29.69 45.88 98.36 27.76 46.97 100.02 27.33 48.11 100.19 27.57 46.26 98.68 26.93 44.87 98.93 3 0 29.67-999 ?-999 ?-999 ? O1 FMT A 1 mTHR.A 194 28.41 46.29 100.96 28.70 45.37 100.68 29.37 48.19 102.18 29.35 49.00 103.11 28.68 46.84 102.29 29.58 45.90 103.13 2 0 29.33-999 ?-999 ?-999 ? O1 FMT A 1 mGLN.A 195 29.98 48.42 101.03 29.84 47.70 100.34 29.93 50.81 100.48 30.43 51.93 100.37 30.79 49.60 100.79 31.76 49.31 99.64 2 0 32.51-999 ?-999 ?-999 ? C FMT A 1 mVAL.A 196 28.62 50.60 100.35 28.34 49.64 100.47 26.35 51.49 100.75 25.62 52.44 101.02 27.69 51.68 100.04 27.49 51.84 98.53 3 0 30.85-999 ?-999 ?-999 ? C FMT A 1 mMETA 197 26.03 50.23 101.04 26.64 49.56 100.63 25.40 48.92 102.96 26.11 47.98 102.64 24.89 49.88 101.89 23.83 49.13 101.09 2 0 27.10-999 ?-999 ?-999 ? C FMT A 1 mTHR.A 198 25.04 49.15 104.21 24.49 49.97 104.36 24.35 47.17 105.45 23.17 47.52 105.60 25.44 48.21 105.25 25.74 48.92 106.60 2 0 25.86-999 ?-999 ?-999 ? C FMT A 1 mPRO.A 199 24.73 45.88 105.42 25.69 45.73 105.22 23.13 44.97 107.05 23.82 45.36 107.98 23.77 44.80 105.67 24.63 43.53 105.64 3 0 23.23-999 ?-999 ?-999 ? O1 FMT A 1 mARG.A 200 21.84 44.68 107.16 21.40 44.42 106.31 21.45 43.50 109.23 21.63 42.43 108.64 21.16 44.76 108.44 19.65 44.89 108.23 2 0 20.11-999 ?-999 ?-999 ? C FMT A 1 mPRO.A 201 21.50 43.62 110.57 21.35 44.56 110.89 20.58 41.54 111.49 19.44 41.97 111.35 21.75 42.51 111.49 21.81 43.19 112.87 3 0 19.73-999 ?-999 ?-999 ? O1 FMT A 1 mVAL.A 202 20.86 40.25 111.65 21.83 40.02 111.64 19.33 39.35 113.30 20.06 38.94 114.20 19.79 39.29 111.85 20.25 37.86 111.52 3 0 17.37-999 ?-999 ?-999 ? O1 FMT A 1 mVAL.A 203 18.12 39.86 113.53 17.60 40.07 112.71 16.40 39.23 115.23 16.09 39.03 116.40 17.63 40.08 114.89 17.30 41.58 115.16 3 0 15.44-999 ?-999 ?-999 ? O1 FMT A 1 mPHE.A 204 15.72 38.75 114.21 16.11 38.95 113.31 14.62 36.61 113.74 14.52 36.47 112.51 14.49 37.98 114.40 13.30 38.79 113.88 3 0 12.21-999 ?-999 ?-999 ? O1 FMT A 1 mARG^A 205 14.89 35.60 114.57 14.95 35.89 115.53 14.05 33.31 114.78 13.79 33.39 115.98 15.09 34.22 114.14 16.45 33.69 114.59 2 0 13.47-999 ?-999 ?-999 ? O1 FMT A 1 mVAL^A 206 13.48 32.42 113.98 13.76 32.48 113.02 12.89 30.05 114.02 13.45 29.86 112.93 12.53 31.45 114.49 11.08 31.80 114.10 3 0 12.51-999 ?-999 ?-999 ? O1 FMT A 1 mASP^A 207 12.57 29.09 114.86 12.07 29.42 115.66 12.05 27.10 113.56 10.84 27.32 113.51 12.90 27.69 114.68 12.64 26.93 115.99 2 0 15.25-999 ?-999 ?-999 ? O1 FMT A 1 mALA.A 208 12.69 26.35 112.67 13.68 26.29 112.82 10.92 24.71 112.09 9.94 24.46 111.40 11.99 25.67 111.58 12.99 24.94 110.70 2 0 16.08-999 ?-999 ?-999 ? O1 FMT A 1 mTHR.A 209 11.11 24.17 113.30 11.94 24.48 113.76 8.95 23.91 114.50 7.93 23.28 114.76 10.15 23.22 113.85 10.80 22.24 114.86 2 0 17.24-999 ?-999 ?-999 ? O1 FMT A 1 mMETA 210 9.07 25.20 114.75 9.99 25.58 114.59 6.79 25.83 114.21 7.00 25.71 113.00 7.94 25.98 115.21 8.32 27.46 115.36 2 0 14.01-999 ?-999 ?-999 ? O1 FMT A 1 mTHR~A 211 5.57 25.83 114.73 5.53 25.93 115.72 3.85 27.08 113.49 4.14 28.08 114.14 4.39 25.70 113.89 3.28 24.89 114.59 2 0 13.10-999 ?-999 ?-999 ? O1 FMT A 1 mILE~A 212 3.08 27.12 112.42 2.96 26.23 111.96 1.61 28.98 113.04 1.67 30.18 113.28 2.49 28.36 111.95 1.68 28.13 110.64 3 0 10.23-999 ?-999 ?-999 ? O1 FMT A 1 mASN~A 213 0.82 28.14 113.71 0.85 27.20 113.39 0.79 29.27 115.90 0.47 30.38 116.33 -0.03 28.61 114.81 -0.85 27.45 115.40 2 0 10.54-999 ?-999 ?-999 ? O1 FMT A 1 mGLU~A 214 1.84 28.58 116.34 1.93 27.68 115.93 3.36 30.44 116.91 3.46 31.37 117.71 2.76 29.11 117.35 3.89 28.11 117.62 2 0 10.65-999 ?-999 ?-999 ? O1 FMT A 1 mPHE~A 215 3.77 30.52 115.64 3.61 29.70 115.08 3.44 32.93 115.20 3.76 33.98 115.76 4.40 31.74 115.14 4.93 31.57 113.72 3 0 7.59-999 ?-999 ?-999 ? O1 FMT A 1 mLEU~A 216 2.27 32.76 114.60 2.15 31.86 114.17 0.83 34.14 116.03 0.44 35.27 116.33 1.25 33.80 114.59 0.06 33.36 113.74 3 0 5.35-999 ?-999 ?-999 ? O1 FMT A 1 mASP~A 217 0.93 33.15 116.90 1.22 32.27 116.50 1.65 34.24 118.99 1.31 35.32 119.47 0.63 33.33 118.32 0.58 31.99 119.04 2 0 8.05-999 ?-999 ?-999 ? O1 FMT A 1 mLYS~A 218 2.91 33.81 119.01 3.06 32.96 118.50 4.29 35.88 119.12 4.79 36.76 119.82 3.95 34.53 119.72 5.23 33.69 119.82 2 0 8.43-999 ?-999 ?-999 ? O1 FMT A 1 mHIS~A 219 4.03 36.07 117.82 3.49 35.36 117.38 3.52 38.17 116.53 3.82 38.91 115.60 4.55 37.26 117.17 5.64 36.86 116.18 3 0 -5.30-999 ?-999 ?-999 ? O1 FMT A 1s mLYS.A 220 2.29 38.12 117.03 2.15 37.40 117.71 1.75 40.50 116.82 2.34 40.82 117.86 1.27 39.06 116.61 -0.03 38.83 117.39 2 0 3.85-999 ?-999 ?-999 ? O2 FMT A 1 mASP.A 221 1.51 41.34 115.83 1.08 40.91 115.04 3.36 43.01 116.01 3.79 44.08 116.45 1.86 42.76 115.89 1.10 43.43 117.04 2 0 -4.02-999 ?-999 ?-999 ? O2 FMT A 1s mTHR.A 222 4.14 42.02 115.61 3.67 41.21 115.27 6.08 43.29 114.78 5.62 43.46 113.64 5.59 42.15 115.66 6.31 40.83 115.29 2 0 5.28-999 ?-999 ?-999 ? C FMT A 1 mPRO.A 223 7.00 44.10 115.31 7.22 43.89 116.26 8.56 44.70 113.46 8.94 45.47 112.59 7.62 45.19 114.55 8.42 45.94 115.63 3 0 8.01-999 ?-999 ?-999 ? C FMT A 1 mPHE.A 224 8.96 43.43 113.54 8.49 42.89 114.23 9.41 42.29 111.39 8.55 41.42 111.45 9.99 42.89 112.66 10.85 41.85 113.39 3 0 8.49-999 ?-999 ?-999 ? C FMT A 1 mSER.A 225 9.88 42.78 110.25 10.63 43.43 110.36 10.13 41.27 108.28 9.61 40.61 107.38 9.33 42.37 108.96 9.19 43.58 108.03 2 0 8.46-999 ?-999 ?-999 ? C FMT A 1 mARG.A 226 11.36 41.04 108.72 11.64 41.62 109.49 12.54 38.81 108.96 13.69 38.59 109.33 12.23 40.03 108.09 13.55 40.67 107.62 2 0 10.82-999 ?-999 ?-999 ? O1 FMT A 1 mPRO.A 227 11.52 38.01 109.29 10.63 38.26 108.90 12.56 35.78 109.46 12.08 35.20 108.49 11.76 36.86 110.17 10.34 36.34 110.48 3 0 9.74-999 ?-999 ?-999 ? O1 FMT A 1 mLEU^A 228 13.78 35.52 109.93 14.07 36.13 110.66 14.28 33.11 110.14 14.00 33.10 111.33 14.59 34.42 109.42 16.08 34.76 109.53 3 0 13.19-999 ?-999 ?-999 ? O1 FMT A 1 mVAL^A 229 14.32 32.01 109.40 14.51 32.16 108.43 15.46 29.99 110.14 16.27 29.96 109.21 14.12 30.69 109.97 13.24 29.80 109.08 3 0 14.31-999 ?-999 ?-999 ? O1 FMT A 1 mTYR^A 230 15.71 29.45 111.34 15.02 29.61 112.04 16.61 27.18 111.71 15.51 26.81 112.10 16.93 28.67 111.54 17.74 29.22 112.72 3 0 17.57-999 ?-999 ?-999 ? O1 FMT A 1 mSER.A 231 17.58 26.33 111.39 18.44 26.76 111.13 17.62 24.32 112.84 16.69 24.10 113.62 17.35 24.89 111.44 18.14 24.17 110.33 2 0 20.26-999 ?-999 ?-999 ? O1 FMT A 1 mGLU.A 232 18.88 24.11 113.19 19.57 24.35 112.50 19.86 24.53 115.46 19.51 24.65 116.64 19.15 23.56 114.53 19.94 22.26 114.42 2 0 22.56-999 ?-999 ?-999 ? O1 FMT A 1 mGLN.A 233 20.86 25.22 114.94 21.12 24.93 114.01 20.93 27.60 115.19 20.56 27.75 114.02 21.54 26.28 115.65 23.04 26.25 115.35 2 0 22.93-999 ?-999 ?-999 ? O1 FMT A 1 mLYS.A 234 20.84 28.57 116.09 21.19 28.34 117.00 21.07 30.54 114.63 20.58 31.39 113.89 20.25 29.87 115.73 20.17 30.80 116.95 2 0 20.08-999 ?-999 ?-999 ? O1 FMT A 1 mASP.A 235 22.34 30.13 114.56 22.57 29.49 115.30 23.03 29.95 112.15 23.67 30.34 111.19 23.30 30.54 113.55 24.69 30.07 113.98 2 0 22.37-999 ?-999 ?-999 ? O1 FMT A 1 mASN.A 236 22.14 28.97 112.06 21.60 28.82 112.89 20.70 28.57 110.10 19.71 27.84 110.12 21.97 28.19 110.84 22.00 26.68 111.14 2 0 22.18-999 ?-999 ?-999 ? O1 FMT A 1 mILE^A 237 20.75 29.73 109.45 21.62 30.21 109.54 19.39 29.47 107.38 20.29 29.34 106.55 19.62 30.25 108.68 19.84 31.73 108.34 3 0 19.46-999 ?-999 ?-999 ? O1 FMT A 1 mILE^A 238 18.17 28.96 107.22 17.53 29.18 107.95 16.67 28.75 105.25 16.33 28.26 104.18 17.83 28.15 106.05 17.42 26.74 106.47 3 0 19.66-999 ?-999 ?-999 ? O1 FMT A 1 mGLY^A 239 16.05 29.81 105.77 16.41 30.14 106.64 14.34 31.63 105.74 14.86 32.11 106.75 14.92 30.40 105.07-999.99-999.99-999.99 1 0 16.65-999 ?-999 ?-999 ? O1 FMT A 1 mPHE^A 240 13.27 32.15 105.15 13.02 31.73 104.29 11.04 33.12 105.51 10.61 32.33 104.68 12.54 33.26 105.75 13.07 34.62 105.26 3 0 13.24-999 ?-999 ?-999 ? O1 FMT A 1 mVAL.A 241 10.24 33.85 106.28 10.71 34.45 106.93 8.18 35.15 106.00 8.83 36.16 106.31 8.80 33.76 106.13 8.15 32.96 107.29 3 0 10.19-999 ?-999 ?-999 ? O1 FMT A 1 mHIS~A 242 6.95 35.19 105.50 6.62 34.32 105.15 4.89 36.18 106.23 4.14 35.25 105.93 6.17 36.42 105.47 5.87 36.84 104.03 3 0 8.23-999 ?-999 ?-999 ? O1 FMT A 1 mARG~A 243 4.64 37.03 107.23 5.32 37.76 107.31 2.15 36.81 107.40 1.29 36.03 107.79 3.49 36.89 108.12 3.50 38.03 109.14 2 0 -4.79-999 ?-999 ?-999 ? O1 FMT A 1s mLEU~A 244 1.96 37.60 106.35 2.73 38.21 106.14 0.51 36.19 104.97 -0.55 35.58 105.09 0.71 37.56 105.59 0.70 38.62 104.49 3 0 -7.18-999 ?-999 ?-999 ? O1 FMT A 1s mGLU~A 245 1.55 35.71 104.30 2.32 36.34 104.25 1.24 33.30 104.72 0.44 32.40 104.44 1.56 34.39 103.69 2.93 34.15 103.06 2 0 9.77-999 ?-999 ?-999 ? O1 FMT A 1 mLEU~A 246 1.85 33.38 105.90 2.47 34.16 106.00 0.18 32.42 107.43 -0.43 31.38 107.67 1.62 32.38 106.95 2.56 32.60 108.15 3 0 8.34-999 ?-999 ?-999 ? O1 FMT A 1 mPHE~A 247 -0.36 33.63 107.57 0.24 34.39 107.32 -2.69 33.16 107.07 -3.64 32.49 107.47 -1.72 33.79 108.05 -2.04 35.26 108.27 3 0 7.74-999 ?-999 ?-999 ? O1 FMT A 1 mLYS~A 248 -2.44 33.37 105.78 -1.65 33.95 105.60 -3.29 31.25 104.85 -4.35 30.63 104.77 -3.28 32.78 104.74 -2.80 33.21 103.36 2 0 11.24-999 ?-999 ?-999 ? O1 FMT A 1 mMETA 249 -2.12 30.66 105.03 -1.33 31.28 105.06 -2.76 28.73 106.43 -3.40 27.68 106.41 -2.02 29.21 105.18 -0.56 28.77 105.22 2 0 12.69-999 ?-999 ?-999 ? O1 FMT A 1 mGLN~A 250 -2.68 29.50 107.51 -2.09 30.30 107.41 -4.91 29.15 108.43 -5.61 28.20 108.79 -3.41 29.17 108.71 -3.12 30.16 109.84 2 0 11.71-999 ?-999 ?-999 ? O1 FMT A 1 mGLN~A 251 -5.41 30.21 107.79 -4.73 30.91 107.56 -7.25 29.17 106.54 -8.43 28.87 106.41 -6.83 30.30 107.47 -7.16 31.66 106.85 2 0 13.40-999 ?-999 ?-999 ? O1 FMT A 1 mSER~A 252 -6.26 28.53 105.91 -5.35 28.89 106.12 -6.38 26.09 105.73 -6.32 25.03 105.10 -6.51 27.42 105.00 -5.53 27.46 103.83 2 0 16.15-999 ?-999 ?-999 ? O1 FMT A 1 mGLY.A 253 -6.32 26.15 107.06 -6.34 27.07 107.43 -4.84 24.34 107.93 -4.68 23.19 108.33 -6.23 24.95 107.87-999.99-999.99-999.99 1 0 16.80-999 ?-999 ?-999 ? O1 FMT A 1 mSER.A 254 -3.84 25.11 107.52 -4.12 26.03 107.22 -1.68 25.14 108.74 -0.45 25.15 108.74 -2.46 24.64 107.53 -1.74 25.05 106.24 2 0 15.59-999 ?-999 ?-999 ? O1 FMT A 1 mGLY.A 255 -2.40 25.55 109.79 -3.39 25.41 109.69 -0.85 25.25 111.75 -0.04 25.74 112.54 -1.78 26.15 110.96-999.99-999.99-999.99 1 0 13.21-999 ?-999 ?-999 ? O1 FMT A 1 mGLN.A 256 -0.95 23.95 111.53 -1.62 23.70 110.83 1.15 22.66 111.53 2.03 21.97 112.06 -0.15 22.98 112.27 -0.96 21.71 112.50 2 0 15.81-999 ?-999 ?-999 ? O1 FMT A 1 mLYS.A 257 1.28 23.16 110.31 0.49 23.68 109.98 3.70 23.66 110.16 3.55 24.72 110.79 2.50 22.95 109.53 2.32 23.45 108.10 2 0 15.90-999 ?-999 ?-999 ? O1 FMT A 1 mGLN~A 258 4.88 23.08 109.99 4.85 22.21 109.50 6.64 24.73 109.52 6.52 24.57 108.31 6.11 23.69 110.50 7.18 22.63 110.76 2 0 15.46-999 ?-999 ?-999 ? O1 FMT A 1 mLEU~A 259 7.24 25.78 110.07 7.23 25.77 111.07 8.79 26.29 108.21 8.76 26.73 107.06 7.85 26.84 109.27 8.61 27.81 110.19 3 0 13.31-999 ?-999 ?-999 ? O1 FMT A 1 mGLY~A 260 9.63 25.34 108.60 9.52 25.06 109.55 10.01 24.21 106.42 10.64 24.24 105.37 10.61 24.76 107.70-999.99-999.99-999.99 1 0 16.75-999 ?-999 ?-999 ? O1 FMT A 1 mALA~A 261 8.77 23.72 106.52 8.36 23.83 107.42 7.43 24.09 104.45 7.03 23.73 103.34 8.10 23.09 105.38 7.08 22.07 105.88 2 0 17.95-999 ?-999 ?-999 ? O1 FMT A 1 mVAL~A 262 7.30 25.34 104.89 7.75 25.53 105.76 7.35 27.59 103.82 6.93 28.43 103.02 6.56 26.33 104.11 5.25 26.71 104.80 3 0 15.40-999 ?-999 ?-999 ? O1 FMT A 1 mMETA 263 8.49 27.74 104.48 8.71 26.99 105.09 9.81 29.08 102.86 9.75 28.15 102.06 9.32 28.92 104.30 10.54 28.81 105.20 2 0 14.40-999 ?-999 ?-999 ? O1 FMT A 1 mARG^A 264 10.29 30.27 102.53 10.11 30.99 103.20 12.49 30.19 101.59 13.00 30.63 102.62 11.02 30.48 101.29 10.83 31.91 100.78 2 0 16.26-999 ?-999 ?-999 ? O1 FMT A 1 mPRO^A 265 13.16 29.45 100.71 12.67 29.22 99.87 15.48 30.22 101.05 15.27 31.16 100.28 14.54 29.02 101.00 14.91 28.12 99.81 3 0 19.22-999 ?-999 ?-999 ? O1 FMT A 1 mILE~A 266 16.48 30.19 101.92 16.53 29.36 102.47 18.36 31.42 100.82 18.88 30.42 100.33 17.42 31.31 102.03 18.26 31.25 103.34 3 0 19.65-999 ?-999 ?-999 ? O1 FMT A 1 mGLN~A 267 18.55 32.64 100.35 18.00 33.34 100.80 20.57 33.86 99.74 20.34 34.75 100.55 19.49 32.92 99.26 18.77 33.55 98.07 2 0 22.30-999 ?-999 ?-999 ? O1 FMT A 1 mVAL^A 268 21.77 33.66 99.21 21.80 32.90 98.55 23.35 35.38 98.38 23.27 34.98 97.23 22.92 34.47 99.54 24.10 33.56 99.91 3 0 24.56-999 ?-999 ?-999 ? O1 FMT A 1 mVAL^A 269 23.77 36.60 98.71 23.61 36.83 99.67 25.78 37.90 98.28 25.98 38.12 99.48 24.41 37.49 97.77 23.56 38.76 97.49 3 0 25.93-999 ?-999 ?-999 ? O2 FMT B 2 mLEU^A 270 26.74 38.00 97.37 26.45 37.79 96.43 28.25 39.87 98.00 27.62 40.70 97.33 28.10 38.37 97.74 29.10 37.92 96.68 3 0 24.28-999 ?-999 ?-999 ? O2 FMT B 2 mASN~A 271 29.07 40.19 98.99 29.47 39.40 99.45 29.91 42.38 98.18 29.58 43.55 98.04 29.37 41.57 99.36 30.41 41.57 100.48 2 0 26.76-999 ?-999 ?-999 ? O2 FMT B 2 mASN~A 272 30.75 41.75 97.37 30.89 40.79 97.59 30.60 42.35 94.93 31.19 42.33 93.85 31.39 42.43 96.24 32.80 41.88 96.00 2 0 25.37-999 ?-999 ?-999 ? O2 FMT B 2 mTHR~A 273 29.28 42.29 95.02 28.91 42.24 95.95 27.86 43.68 93.60 27.39 44.31 94.54 28.47 42.31 93.81 27.37 41.25 93.83 2 0 25.86-999 ?-999 ?-999 ? O2 FMT B 2 mALA~A 274 27.87 44.15 92.35 28.29 43.53 91.69 25.82 45.50 92.34 25.08 44.57 92.02 27.31 45.45 92.01 27.57 45.75 90.51 2 0 28.72-999 ?-999 ?-999 ? O2 FMT B 2 mLEU~A 275 25.40 46.58 92.99 26.13 47.24 93.18 22.96 46.67 92.28 21.92 46.02 92.47 24.00 46.78 93.40 23.84 48.12 94.14 3 0 29.89-999 ?-999 ?-999 ? C FMT A 1 mPRO~A 276 23.21 47.31 91.13 24.04 47.87 91.10 22.08 45.67 89.67 20.95 45.24 89.41 22.26 47.14 90.03 22.91 47.91 88.88 3 0 31.07-999 ?-999 ?-999 ? C FMT A 1 mLYS~A 277 23.16 44.90 89.66 24.01 45.39 89.87 22.32 42.71 90.46 21.45 41.89 90.16 23.10 43.47 89.38 24.51 42.89 89.21 2 0 29.18-999 ?-999 ?-999 ? O2 FMT B 2 mVAL~A 278 22.62 42.98 91.71 23.38 43.62 91.84 20.39 42.67 92.64 19.54 41.77 92.77 21.87 42.37 92.80 22.32 42.87 94.17 3 0 27.91-999 ?-999 ?-999 ? O1 FMT A 1 mPHE~A 279 20.08 43.93 92.36 20.85 44.55 92.30 18.03 43.55 91.03 16.94 43.01 91.18 18.69 44.33 92.16 18.58 45.82 91.87 3 0 26.64-999 ?-999 ?-999 ? C FMT A 1 mASP~A 280 18.70 43.51 89.88 19.58 43.99 89.91 17.89 41.37 89.04 16.82 40.85 88.72 18.20 42.83 88.70 19.23 42.92 87.57 2 0 28.84-999 ?-999 ?-999 ? O1 FMT A 1 mGLN~A 281 18.83 40.72 89.72 19.64 41.27 89.92 17.50 39.10 91.09 16.71 38.17 90.89 18.67 39.33 90.13 19.96 38.82 90.76 2 0 27.63-999 ?-999 ?-999 ? O1 FMT A 1 mMETA 282 17.41 39.92 92.13 18.10 40.64 92.15 14.98 39.98 92.53 14.05 39.20 92.75 16.37 39.73 93.13 16.61 40.63 94.36 2 0 23.87-999 ?-999 ?-999 ? O1 FMT A 1 mMETA 283 14.85 41.07 91.80 15.66 41.66 91.77 13.20 40.22 90.19 12.08 39.71 90.25 13.59 41.37 91.11 13.71 42.65 90.28 2 0 24.27-999 ?-999 ?-999 ? O1 FMT A 1 mTHR~A 284 14.13 39.82 89.33 14.99 40.32 89.42 13.41 37.47 89.03 12.58 36.74 88.46 13.88 38.76 88.36 15.14 38.47 87.53 2 0 26.69-999 ?-999 ?-999 ? O1 FMT A 1 mHIS~A 285 13.91 37.20 90.23 14.52 37.90 90.59 12.48 36.16 91.99 12.06 35.20 92.62 13.58 35.97 90.94 14.84 35.36 91.57 3 0 24.39-999 ?-999 ?-999 ? O1 FMT A 1 mARG~A 286 12.00 37.40 92.14 12.40 38.07 91.52 11.47 37.44 94.56 10.71 37.02 95.43 10.98 37.73 93.14 9.68 36.97 92.87 2 0 21.16-999 ?-999 ?-999 ? O1 FMT A 1 mLEU~A 287 12.76 37.65 94.76 13.25 38.01 93.97 13.32 38.63 96.92 13.84 39.69 96.56 13.40 37.38 96.04 14.85 36.98 95.78 3 0 19.79-999 ?-999 ?-999 ? O1 FMT A 1 mGLN~A 288 12.65 38.51 98.07 12.38 37.57 98.28 13.52 40.03 99.84 13.65 41.18 100.25 12.36 39.65 98.93 11.12 39.38 99.79 2 0 16.82-999 ?-999 ?-999 ? O1 FMT A 1 mLEU^A 289 14.35 39.05 100.17 14.11 38.15 99.80 16.62 38.28 100.77 16.38 37.19 100.25 15.52 39.30 101.00 15.15 39.40 102.49 3 0 17.41-999 ?-999 ?-999 ? O1 FMT A 1 mALA^A 290 17.84 38.67 101.13 17.88 39.59 101.51 20.00 38.06 102.11 20.10 39.17 102.62 19.00 37.81 101.00 19.69 38.03 99.65 2 0 20.16-999 ?-999 ?-999 ? O1 FMT A 1 mLEU^A 291 20.72 37.01 102.49 20.40 36.14 102.12 23.01 37.70 102.53 23.20 37.31 101.37 21.87 37.14 103.35 22.27 35.78 103.89 3 0 21.51-999 ?-999 ?-999 ? O1 FMT A 1 mVAL^A 292 23.76 38.62 103.13 23.42 38.92 104.02 26.19 38.40 103.08 26.38 38.36 104.31 24.98 39.13 102.52 25.15 40.63 102.76 3 0 24.64-999 ?-999 ?-999 ? O1 FMT A 1 mVAL~A 293 27.00 37.83 102.20 26.72 37.97 101.25 29.45 37.71 101.99 29.43 38.18 100.84 28.19 37.08 102.59 28.08 35.61 102.13 3 0 25.82-999 ?-999 ?-999 ? O2 FMT B 2 mASP~A 294 30.54 37.71 102.75 30.43 37.32 103.66 32.70 37.17 101.66 32.26 36.03 101.52 31.80 38.26 102.24 32.52 39.10 103.31 2 0 24.77-999 ?-999 ?-999 ? O2 FMT B 2 mGLU~A 295 33.94 37.51 101.33 34.20 38.44 101.59 35.46 35.56 101.59 36.30 34.76 101.17 34.80 36.55 100.64 35.86 37.26 99.79 2 0 21.54-999 ?-999 ?-999 ? O2 FMT B 2 mTYR~A 296 35.09 35.59 102.86 34.46 36.33 103.10 34.50 33.67 104.23 34.68 32.85 105.14 35.61 34.61 103.81 36.22 35.30 105.03 3 0 22.13-999 ?-999 ?-999 ? O2 FMT B 2 mGLY~A 297 33.35 33.81 103.58 33.37 34.49 102.85 31.43 33.55 105.13 30.50 32.92 105.61 32.18 33.03 103.91-999.99-999.99-999.99 1 0 22.44-999 ?-999 ?-999 ? O2 FMT B 2 mTHR~A 298 31.84 34.71 105.63 32.60 35.15 105.15 29.88 35.95 106.45 29.83 36.78 105.53 31.18 35.24 106.81 32.10 36.18 107.65 2 0 26.19-999 ?-999 ?-999 ? O2 FMT B 2 mVAL^A 299 28.82 35.60 107.17 28.98 34.85 107.81 27.60 37.67 107.63 27.74 37.80 108.83 27.54 36.28 107.02 26.41 35.49 107.69 3 0 25.78-999 ?-999 ?-999 ? O1 FMT A 1 mLEU^A 300 27.50 38.70 106.80 27.35 38.44 105.84 26.28 40.63 107.83 26.28 41.57 108.63 27.60 40.08 107.27 28.07 40.99 106.14 3 0 25.73-999 ?-999 ?-999 ? O1 FMT A 1 mGLY^A 301 25.18 40.04 107.39 25.33 39.21 106.86 22.93 40.24 106.51 23.20 39.32 105.75 23.85 40.58 107.67-999.99-999.99-999.99 1 0 22.03-999 ?-999 ?-999 ? O1 FMT A 1 mLEU^A 302 21.84 40.99 106.36 21.78 41.76 106.99 20.49 41.94 104.55 20.65 43.05 105.05 20.85 40.68 105.35 19.60 40.05 105.99 3 0 19.85-999 ?-999 ?-999 ? O1 FMT A 1 mVAL^A 303 20.03 41.76 103.32 20.10 40.82 102.98 18.10 42.52 102.02 17.76 41.35 101.86 19.48 42.87 102.54 20.38 43.30 101.35 3 0 20.18-999 ?-999 ?-999 ? O1 FMT A 1 mTHR^A 304 17.31 43.54 101.75 17.68 44.45 101.96 15.89 44.01 99.87 16.63 44.95 99.58 16.00 43.31 101.21 14.85 43.75 102.15 2 0 18.25-999 ?-999 ?-999 ? O1 FMT A 1 mLEU~A 305 14.98 43.51 99.05 14.44 42.76 99.43 14.38 45.51 97.81 14.85 46.36 97.06 14.81 44.05 97.72 13.81 43.19 96.94 3 0 19.96-999 ?-999 ?-999 ? C FMT A 1 mGLU~A 306 13.49 45.81 98.77 13.16 45.04 99.30 14.25 48.06 99.45 14.34 49.23 99.09 13.08 47.20 98.98 11.88 47.32 99.93 2 0 18.94-999 ?-999 ?-999 ? C FMT A 1 mASP~A 307 15.15 47.49 100.25 14.96 46.54 100.50 17.15 48.62 99.46 17.58 49.76 99.31 16.31 48.25 100.69 17.14 47.47 101.71 2 0 20.33-999 ?-999 ?-999 ? C FMT A 1 mILE~A 308 17.39 47.63 98.60 17.04 46.74 98.89 17.41 48.92 96.50 18.02 49.89 96.05 18.12 47.87 97.35 18.24 46.60 96.49 3 0 23.49-999 ?-999 ?-999 ? C FMT A 1 mPHE~A 309 16.11 48.73 96.30 15.74 47.89 96.70 15.56 51.10 96.10 15.87 52.02 95.35 15.32 49.70 95.56 13.84 49.36 95.67 3 0 23.67-999 ?-999 ?-999 ? C FMT A 1 mGLU~A 310 15.40 51.25 97.41 15.20 50.40 97.91 16.85 53.21 97.84 16.95 54.41 97.66 15.49 52.56 98.06 15.19 52.44 99.56 2 0 23.48-999 ?-999 ?-999 ? C FMT A 1 mHIS~A 311 17.91 52.41 97.86 17.71 51.44 98.02 19.48 53.38 96.21 19.97 54.47 95.95 19.24 52.96 97.66 20.32 51.98 98.13 3 0 26.23-999 ?-999 ?-999 ? C FMT A 1 mLEU~A 312 19.12 52.51 95.26 18.72 51.66 95.62 18.55 54.05 93.45 19.10 54.96 92.84 19.30 52.80 93.84 18.82 51.62 92.99 3 0 28.53-999 ?-999 ?-999 ? C FMT A 1 mVAL~A 313 17.28 54.08 93.82 16.98 53.26 94.31 16.97 56.54 94.07 16.66 57.60 93.54 16.41 55.21 93.54 15.01 54.95 94.12 3 0 28.33-999 ?-999 ?-999 ? C FMT A 1 mGLY~A 314 17.79 56.47 95.11 17.92 55.55 95.48 19.67 58.03 94.87 20.57 58.69 95.41 18.42 57.66 95.65-999.99-999.99-999.99 1 0 29.51-999 ?-999 ?-999 ? C FMT A 1 mGLU~A 315 19.74 57.62 93.61 18.94 57.10 93.31 20.49 58.34 91.36 21.20 59.11 90.71 20.90 57.90 92.77 21.82 56.68 92.68 2 0 32.73-999 ?-999 ?-999 ? C FMT A 1 mALA~B 188 9.09 6.14 99.81 9.57 5.34 99.44 7.71 8.09 99.23 6.48 8.12 99.13 8.38 7.30 100.35 9.34 8.18 101.13 2 0 34.07-999 ?-999 ?-999 ? O1 FMT A 1 mGLN~B 189 8.52 8.73 98.40 9.49 8.61 98.60 8.99 9.46 96.11 8.64 8.98 95.03 8.02 9.52 97.29 7.80 10.97 97.72 2 0 33.26-999 ?-999 ?-999 ? O1 FMT A 1 mASP~B 190 10.20 9.94 96.33 10.31 10.37 97.23 12.62 9.61 96.04 12.66 9.33 97.23 11.27 9.85 95.35 11.33 11.11 94.48 2 0 33.02-999 ?-999 ?-999 ? O2 FMT B 2 mVAL~B 191 13.70 9.73 95.28 13.52 9.96 94.32 15.57 10.83 96.44 15.11 11.92 96.09 15.04 9.54 95.83 16.02 9.02 94.75 3 0 29.83-999 ?-999 ?-999 ? C FMT B 2 mPRO~B 192 16.54 10.72 97.37 16.85 9.78 97.53 18.04 12.66 97.20 18.78 12.05 96.42 17.07 11.89 98.08 17.83 11.28 99.26 3 0 28.00-999 ?-999 ?-999 ? C FMT B 2 mVAL~B 193 18.04 13.98 97.35 17.37 14.33 98.00 20.38 14.33 96.82 21.26 14.50 95.96 18.96 14.82 96.60 18.82 16.31 97.01 3 0 24.96-999 ?-999 ?-999 ? O2 FMT B 2 mTHR~B 194 20.59 13.70 97.98 19.78 13.64 98.56 22.41 12.06 97.44 23.60 11.76 97.45 21.89 13.16 98.37 21.90 12.62 99.82 2 0 23.56-999 ?-999 ?-999 ? C FMT B 2 mGLN~B 195 21.52 11.46 96.66 20.57 11.75 96.78 22.17 11.06 94.32 22.84 10.48 93.46 21.96 10.44 95.70 20.96 9.28 95.62 2 0 23.38-999 ?-999 ?-999 ? C FMT B 2 mVAL~B 196 21.58 12.23 94.09 21.06 12.59 94.86 23.00 13.75 92.79 23.54 14.05 91.73 21.73 12.90 92.81 20.52 13.81 92.51 3 0 21.87-999 ?-999 ?-999 ? O2 FMT B 2 mMETB 197 23.46 14.13 93.97 22.98 13.72 94.75 25.90 14.37 93.85 25.98 13.15 93.89 24.57 15.06 94.10 24.58 15.67 95.50 2 0 18.98-999 ?-999 ?-999 ? O2 FMT B 2 mTHR^B 198 26.94 15.15 93.60 26.70 16.08 93.32 28.73 14.89 95.18 28.63 16.01 95.69 28.30 14.66 93.72 29.24 15.38 92.73 2 0 15.68-999 ?-999 ?-999 ? C FMT B 2 mPRO^B 199 29.16 13.81 95.88 29.20 12.96 95.36 30.75 14.80 97.47 31.64 14.79 96.62 29.53 13.91 97.30 29.90 12.47 97.68 3 0 16.58-999 ?-999 ?-999 ? O1 FMT B 2 mARG~B 200 30.76 15.55 98.56 29.95 15.42 99.13 33.26 15.94 98.69 34.10 16.65 98.14 31.84 16.47 98.91 31.67 16.91 100.38 2 0 15.10-999 ?-999 ?-999 ? O1 FMT B 2 mPRO~B 201 33.54 14.70 99.14 32.77 14.21 99.55 35.44 14.12 97.57 36.65 14.21 97.38 34.90 14.15 99.01 34.75 12.72 99.55 3 0 13.89-999 ?-999 ?-999 ? O1 FMT B 2 mVAL~B 202 34.56 14.01 96.59 33.60 13.97 96.87 34.77 15.27 94.46 35.03 15.39 93.28 35.01 13.96 95.20 34.36 12.79 94.43 3 0 11.40-999 ?-999 ?-999 ? O1 FMT B 2 mVAL~B 203 34.29 16.27 95.19 34.12 16.04 96.15 35.32 18.42 94.60 35.95 18.63 95.62 34.04 17.58 94.62 32.94 18.33 95.41 3 0 10.54-999 ?-999 ?-999 ? O1 FMT B 2 mPHE~B 204 35.67 18.95 93.42 35.05 18.72 92.67 36.63 21.21 93.77 35.59 21.79 93.50 36.87 19.78 93.27 37.31 19.79 91.80 3 0 7.29-999 ?-999 ?-999 ? O1 FMT B 2 mARG^B 205 37.59 21.75 94.53 38.32 21.11 94.77 38.96 23.72 95.12 39.91 22.99 95.41 37.56 23.16 94.94 36.74 23.39 96.23 2 0 8.71-999 ?-999 ?-999 ? O2 FMT B 2 mVAL^B 206 39.09 25.03 94.97 38.23 25.52 94.82 40.39 26.93 95.91 39.35 27.54 96.13 40.40 25.69 95.02 40.92 26.06 93.61 3 0 9.02-999 ?-999 ?-999 ? O2 FMT B 2 mASP^B 207 41.56 27.29 96.42 42.32 26.71 96.13 41.44 29.75 96.60 42.00 30.02 95.53 41.71 28.43 97.32 43.11 28.44 97.94 2 0 12.37-999 ?-999 ?-999 ? O1 FMT B 2 mALA~B 208 40.57 30.57 97.19 40.23 30.24 98.07 41.31 32.85 96.46 41.23 33.78 95.66 40.17 31.84 96.59 39.02 32.44 97.37 2 0 14.34-999 ?-999 ?-999 ? O2 FMT B 2 mTHR~B 209 42.37 32.66 97.25 42.33 31.83 97.81 44.52 33.27 96.21 45.45 34.04 95.98 43.48 33.61 97.26 44.14 33.70 98.65 2 0 16.22-999 ?-999 ?-999 ? O2 FMT B 2 mMETB 210 44.37 32.12 95.58 43.66 31.52 95.96 44.92 32.82 93.32 43.78 33.19 93.06 45.18 31.79 94.42 44.85 30.37 93.94 2 0 13.51-999 ?-999 ?-999 ? O2 FMT B 2 mTHR~B 211 45.99 33.31 92.71 46.87 32.98 93.06 45.33 33.53 90.38 45.53 32.33 90.22 45.85 34.26 91.61 47.19 34.94 91.24 2 0 14.73-999 ?-999 ?-999 ? O2 FMT B 2 mILE~B 212 44.66 34.28 89.51 44.54 35.23 89.80 45.28 33.14 87.45 45.13 32.06 86.86 44.15 33.74 88.26 43.45 34.83 87.44 3 0 13.23-999 ?-999 ?-999 ? O2 FMT B 2 mASN~B 213 46.42 33.83 87.41 46.41 34.68 87.93 48.03 31.97 87.12 48.23 31.07 86.31 47.58 33.34 86.65 48.74 34.34 86.70 2 0 13.98-999 ?-999 ?-999 ? O2 FMT B 2 mGLU~B 214 48.19 31.82 88.43 47.99 32.63 88.99 47.57 29.46 88.82 47.89 28.32 88.49 48.63 30.54 88.97 49.15 30.66 90.42 2 0 12.20-999 ?-999 ?-999 ? O2 FMT B 2 mPHE~B 215 46.30 29.81 89.03 46.15 30.76 89.32 45.19 28.32 87.40 45.20 27.11 87.17 45.24 28.83 88.84 43.87 29.36 89.22 3 0 8.98-999 ?-999 ?-999 ? O2 FMT B 2 mLEU~B 216 45.13 29.24 86.44 45.12 30.18 86.79 46.27 28.04 84.57 46.15 27.20 83.68 45.08 28.89 85.02 45.00 30.15 84.15 3 0 9.20-999 ?-999 ?-999 ? O2 FMT B 2 mASP~B 217 47.42 28.27 85.20 47.38 29.00 85.89 48.63 26.16 85.56 49.05 25.16 84.99 48.62 27.52 84.87 49.87 28.32 85.24 2 0 10.18-999 ?-999 ?-999 ? O2 FMT B 2 mLYS~B 218 48.15 26.13 86.80 47.74 26.99 87.11 47.15 23.92 87.29 47.40 22.72 87.19 48.24 24.92 87.62 48.19 25.28 89.11 2 0 7.89-999 ?-999 ?-999 ? O1 FMT B 2 mHIS~B 219 45.93 24.42 87.10 45.88 25.42 87.12 44.22 23.65 85.46 43.79 24.72 85.03 44.78 23.55 86.88 43.68 23.87 87.90 3 0 -4.38-999 ?-999 ?-999 ? O2 FMT B 2s mLYS~B 220 44.22 22.52 84.76 44.61 21.74 85.25 42.29 21.83 83.39 42.03 20.82 84.05 43.68 22.45 83.40 44.63 21.65 82.49 2 0 -4.95-999 ?-999 ?-999 ? O2 FMT B 2s mASP~B 221 41.39 22.43 82.62 41.75 23.21 82.12 39.36 22.73 81.39 39.97 23.62 80.81 40.01 21.97 82.53 39.27 22.22 83.85 2 0 5.27-999 ?-999 ?-999 ? O2 FMT B 2 mTHR~B 222 38.11 22.38 81.07 37.68 21.77 81.74 36.99 24.31 79.94 36.94 24.89 81.02 37.46 22.85 79.86 36.29 21.91 79.47 2 0 8.82-999 ?-999 ?-999 ? O2 FMT B 2 mPRO~B 223 36.69 24.92 78.77 36.71 24.31 77.98 35.22 26.78 79.59 35.23 27.91 80.07 36.37 26.34 78.69 35.99 26.53 77.21 3 0 11.54-999 ?-999 ?-999 ? O2 FMT B 2 mPHE~B 224 34.24 25.91 79.80 34.38 25.00 79.39 33.03 25.66 81.97 31.99 25.65 82.62 33.05 26.27 80.57 31.76 25.90 79.83 3 0 12.13-999 ?-999 ?-999 ? O2 FMT B 2 mSER~B 225 34.16 25.14 82.43 34.93 25.19 81.79 33.96 25.65 84.80 34.15 26.84 84.53 34.23 24.56 83.77 35.58 23.88 84.02 2 0 8.90-999 ?-999 ?-999 ? O2 FMT B 2 mARG~B 226 33.51 25.23 85.98 33.49 24.23 86.09 33.61 25.67 88.36 32.84 25.22 89.20 33.10 26.15 87.03 31.57 26.26 87.07 2 0 9.88-999 ?-999 ?-999 ? O2 FMT B 2 mPRO~B 227 34.94 25.75 88.55 35.43 26.14 87.77 35.02 25.95 91.04 34.76 27.15 91.07 35.61 25.30 89.78 37.06 25.76 89.57 3 0 7.67-999 ?-999 ?-999 ? O2 FMT B 2 mLEU^B 228 34.83 25.14 92.06 35.01 24.17 91.87 35.51 26.32 94.09 36.68 25.97 93.92 34.37 25.63 93.36 33.80 24.50 94.20 3 0 10.34-999 ?-999 ?-999 ? O2 FMT B 2 mVAL^B 229 35.15 27.29 94.91 34.17 27.42 95.00 35.96 27.99 97.14 34.84 28.08 97.65 36.14 28.09 95.61 36.06 29.56 95.15 3 0 12.10-999 ?-999 ?-999 ? O2 FMT B 2 mTYR^B 230 37.07 27.81 97.85 37.90 27.68 97.30 37.92 28.90 99.89 38.89 29.34 99.26 37.04 27.80 99.31 37.44 26.42 99.86 3 0 14.40-999 ?-999 ?-999 ? O2 FMT B 2 mSER~B 231 37.58 29.36 101.09 36.82 28.88 101.53 39.60 30.07 102.36 40.69 30.28 101.81 38.29 30.49 101.69 37.39 31.24 102.68 2 0 17.46-999 ?-999 ?-999 ? O2 FMT B 2 mGLU~B 232 39.51 29.50 103.55 38.58 29.42 103.90 40.72 27.53 104.44 41.76 26.89 104.38 40.71 29.04 104.26 40.84 29.73 105.62 2 0 18.27-999 ?-999 ?-999 ? O1 FMT B 2 mGLN~B 233 39.54 26.96 104.68 38.77 27.60 104.74 38.77 24.96 103.56 37.86 25.56 102.99 39.40 25.53 104.83 38.54 25.21 106.05 2 0 17.43-999 ?-999 ?-999 ? O1 FMT B 2 mLYS~B 234 39.25 23.79 103.13 40.01 23.44 103.68 37.21 22.77 102.05 36.59 22.43 101.05 38.70 23.11 101.96 39.50 21.85 101.63 2 0 14.21-999 ?-999 ?-999 ? O1 FMT B 2 mASP~B 235 36.64 22.85 103.24 37.24 23.09 104.00 34.45 23.92 103.39 33.26 23.98 103.06 35.21 22.60 103.37 34.90 21.74 104.60 2 0 16.64-999 ?-999 ?-999 ? O1 FMT B 2 mASN~B 236 35.17 24.99 103.73 36.11 24.78 104.00 34.38 26.88 102.29 35.03 27.82 101.84 34.61 26.34 103.72 35.49 27.30 104.53 2 0 18.26-999 ?-999 ?-999 ? O1 FMT B 2 mILE^B 237 33.43 26.25 101.59 32.96 25.54 102.11 32.18 27.79 100.14 31.04 27.73 100.60 33.11 26.58 100.21 32.46 25.38 99.50 3 0 16.24-999 ?-999 ?-999 ? O2 FMT B 2 mILE^B 238 32.67 28.87 99.54 33.54 28.72 99.08 31.48 30.66 98.22 30.96 31.78 98.13 31.97 30.15 99.58 32.88 31.22 100.20 3 0 17.95-999 ?-999 ?-999 ? O2 FMT B 2 mGLY^B 239 31.64 29.85 97.18 32.11 29.00 97.38 31.89 29.44 94.77 32.46 28.38 95.03 31.15 30.21 95.85-999.99-999.99-999.99 1 0 16.22-999 ?-999 ?-999 ? O2 FMT B 2 mPHE^B 240 31.89 29.99 93.56 31.39 30.85 93.49 32.92 30.44 91.40 32.47 31.58 91.52 32.57 29.36 92.43 31.69 28.27 91.79 3 0 13.24-999 ?-999 ?-999 ? O2 FMT B 2 mVAL~B 241 33.74 30.08 90.43 34.07 29.14 90.50 33.97 30.27 88.03 34.02 29.04 87.99 34.11 31.00 89.36 35.56 31.50 89.50 3 0 12.65-999 ?-999 ?-999 ? O2 FMT B 2 mHIS~B 242 33.79 31.05 86.96 33.68 32.01 87.19 35.17 30.60 85.00 35.78 31.66 85.00 33.76 30.53 85.59 32.81 31.37 84.71 3 0 12.49-999 ?-999 ?-999 ? O2 FMT B 2 mARG~B 243 35.67 29.48 84.49 35.06 28.68 84.55 37.16 30.51 82.81 38.18 31.20 82.74 37.01 29.46 83.91 37.40 28.07 83.39 2 0 10.32-999 ?-999 ?-999 ? O2 FMT B 2 mLEU~B 244 36.14 30.64 81.96 35.36 30.05 82.16 36.31 33.03 81.32 37.03 33.82 80.71 36.19 31.58 80.84 34.98 31.40 79.92 3 0 13.67-999 ?-999 ?-999 ? O2 FMT B 2 mGLU~B 245 35.63 33.37 82.40 35.03 32.65 82.77 37.15 34.90 83.60 37.71 36.00 83.56 35.76 34.70 82.99 34.69 34.96 84.06 2 0 15.63-999 ?-999 ?-999 ? O2 FMT B 2 mLEU~B 246 37.70 33.84 84.19 37.09 33.05 84.29 39.98 34.23 83.46 40.79 35.15 83.54 39.08 33.86 84.65 39.48 32.50 85.22 3 0 13.54-999 ?-999 ?-999 ? O2 FMT B 2 mPHE~B 247 39.79 33.52 82.36 39.03 32.88 82.41 40.47 35.07 80.56 41.44 35.66 80.09 40.63 33.67 81.17 40.31 32.56 80.16 3 0 14.33-999 ?-999 ?-999 ? O2 FMT B 2 mLYS~B 248 39.26 35.60 80.59 38.54 35.00 80.94 39.88 37.93 80.97 40.59 38.78 80.44 39.05 36.96 80.13 37.57 37.33 80.17 2 0 17.89-999 ?-999 ?-999 ? O2 FMT B 2 mMETB 249 39.79 37.79 82.30 39.15 37.08 82.58 42.06 38.59 82.87 42.67 39.64 82.68 40.58 38.59 83.24 40.42 38.05 84.66 2 0 18.28-999 ?-999 ?-999 ? O2 FMT B 2 mGLN~B 250 42.65 37.40 82.80 42.04 36.63 83.00 44.40 38.00 81.19 45.39 38.72 81.14 44.05 37.25 82.46 44.40 35.78 82.28 2 0 17.38-999 ?-999 ?-999 ? O2 FMT B 2 mGLN~B 251 43.57 37.83 80.16 42.77 37.27 80.37 43.59 39.93 78.88 43.96 40.64 77.94 43.84 38.42 78.86 43.00 37.74 77.78 2 0 19.75-999 ?-999 ?-999 ? O2 FMT B 2 mSER~B 252 42.97 40.41 79.94 42.66 39.72 80.60 43.89 42.44 80.94 43.89 43.63 81.24 42.76 41.84 80.11 41.41 42.12 80.77 2 0 22.31-999 ?-999 ?-999 ? O2 FMT B 2 mGLY~B 253 44.84 41.59 81.31 44.70 40.65 81.01 45.71 42.09 83.57 46.33 42.87 84.29 45.99 42.02 82.08-999.99-999.99-999.99 1 0 22.35-999 ?-999 ?-999 ? O2 FMT B 2 mSER~B 254 44.78 41.27 84.03 44.33 40.71 83.33 44.68 39.81 86.01 44.05 39.41 86.98 44.44 41.21 85.45 42.99 41.63 85.69 2 0 20.71-999 ?-999 ?-999 ? O2 FMT B 2 mGLY~B 255 45.60 39.08 85.38 46.03 39.53 84.60 46.49 37.68 87.22 46.35 36.69 87.94 45.92 37.73 85.82-999.99-999.99-999.99 1 0 17.58-999 ?-999 ?-999 ? O2 FMT B 2 mGLN~B 256 47.14 38.77 87.63 47.16 39.51 86.95 46.75 38.92 90.06 47.09 38.76 91.23 47.77 38.85 88.94 48.71 40.06 89.01 2 0 19.17-999 ?-999 ?-999 ? O2 FMT B 2 mLYS~B 257 45.48 39.15 89.71 45.33 39.26 88.73 43.99 37.84 91.20 44.23 36.84 90.52 44.44 39.22 90.73 43.24 40.05 90.25 2 0 18.92-999 ?-999 ?-999 ? O2 FMT B 2 mGLN~B 258 43.35 37.80 92.36 43.19 38.70 92.76 41.66 35.99 92.36 40.87 36.72 91.76 42.92 36.56 92.99 42.65 36.78 94.48 2 0 16.73-999 ?-999 ?-999 ? O2 FMT B 2 mLEU~B 259 41.47 34.68 92.51 42.23 34.22 92.97 38.99 34.67 92.54 38.01 34.78 91.81 40.27 33.99 92.05 40.28 32.54 92.53 3 0 13.98-999 ?-999 ?-999 ? O2 FMT B 2 mGLY~B 260 39.02 35.12 93.79 39.91 35.02 94.25 37.40 37.00 93.78 36.30 37.47 94.05 37.86 35.71 94.42-999.99-999.99-999.99 1 0 16.79-999 ?-999 ?-999 ? O2 FMT B 2 mALA~B 261 38.26 37.59 92.95 39.14 37.13 92.86 36.58 38.65 91.48 35.74 39.55 91.49 37.90 38.81 92.25 39.02 39.24 91.31 2 0 18.93-999 ?-999 ?-999 ? O2 FMT B 2 mVAL~B 262 36.41 37.51 90.83 37.17 36.87 90.90 34.36 36.11 90.65 33.69 35.39 89.92 35.19 37.24 90.07 35.51 36.91 88.60 3 0 17.74-999 ?-999 ?-999 ? O2 FMT B 2 mMETB 263 34.40 35.93 91.97 34.99 36.57 92.47 32.12 35.05 92.41 31.62 36.17 92.42 33.63 34.86 92.60 33.93 34.79 94.10 2 0 16.84-999 ?-999 ?-999 ? O2 FMT B 2 mARG~B 264 31.41 33.94 92.22 31.97 33.10 92.18 29.40 33.24 93.33 30.03 32.32 93.82 29.96 33.96 92.10 29.50 33.23 90.83 2 0 18.02-999 ?-999 ?-999 ? O2 FMT B 2 mPRO~B 265 28.20 33.64 93.80 27.75 34.37 93.29 27.26 31.56 94.67 26.93 31.27 93.51 27.68 32.98 95.00 26.44 33.80 95.36 3 0 19.81-999 ?-999 ?-999 ? O2 FMT B 2 mILE~B 266 27.28 30.66 95.64 27.76 30.95 96.47 25.59 29.17 96.53 25.82 29.53 97.68 26.65 29.36 95.44 27.67 28.19 95.42 3 0 18.81-999 ?-999 ?-999 ? O2 FMT B 2 mGLN~B 267 24.42 28.67 96.16 24.36 28.41 95.19 23.28 27.12 97.68 23.94 26.22 97.17 23.33 28.53 97.12 21.99 28.90 96.48 2 0 21.89-999 ?-999 ?-999 ? O2 FMT B 2 mVAL^B 268 22.51 26.93 98.76 22.06 27.74 99.11 20.97 25.06 99.18 20.01 25.82 99.13 22.38 25.60 99.33 22.75 25.58 100.85 3 0 22.91-999 ?-999 ?-999 ? O2 FMT B 2 mVAL^B 269 20.85 23.73 99.11 21.71 23.25 98.93 19.67 22.06 100.43 20.76 21.57 100.74 19.57 23.07 99.28 19.10 22.35 97.98 3 0 24.92-999 ?-999 ?-999 ? O2 FMT B 2 mLEU^B 270 18.54 21.77 101.07 17.73 22.18 100.66 18.47 19.44 101.86 17.81 19.08 100.89 18.52 20.91 102.25 17.31 21.24 103.13 3 0 25.98-999 ?-999 ?-999 ? O1 FMT A 1 mASN~B 271 19.15 18.59 102.62 19.59 19.01 103.42 17.91 16.43 102.41 17.73 15.37 101.82 19.24 17.17 102.28 20.33 16.48 103.11 2 0 26.90-999 ?-999 ?-999 ? O2 FMT B 2 mASN~B 272 16.98 16.99 103.17 17.26 17.85 103.60 14.59 16.91 102.41 13.44 16.48 102.46 15.67 16.37 103.35 15.21 16.53 104.79 2 0 27.41-999 ?-999 ?-999 ? O1 FMT A 1 mTHR~B 273 14.95 17.87 101.55 15.90 18.15 101.61 13.68 17.44 99.49 14.59 16.88 98.88 13.98 18.42 100.62 14.47 19.75 100.03 2 0 26.07-999 ?-999 ?-999 ? O1 FMT A 1 mALA~B 274 12.40 17.23 99.21 11.76 17.73 99.80 12.51 16.81 96.79 12.48 18.00 96.48 11.98 16.33 98.15 10.46 16.21 98.13 2 0 28.13-999 ?-999 ?-999 ? O1 FMT A 1 mLEU~B 275 13.00 15.87 95.98 12.90 14.94 96.33 12.81 17.17 93.83 13.37 18.10 93.25 13.63 16.20 94.70 13.97 14.93 93.92 3 0 29.07-999 ?-999 ?-999 ? O2 FMT B 2 mPRO~B 276 11.49 16.96 93.73 11.14 16.14 94.19 10.74 19.34 93.52 10.88 20.28 92.73 10.65 17.90 92.98 9.23 17.36 93.20 3 0 29.58-999 ?-999 ?-999 ? O1 FMT A 1 mLYS~B 277 10.68 19.48 94.84 10.58 18.62 95.34 12.09 21.44 95.27 12.18 22.65 95.06 10.73 20.79 95.48 10.45 20.66 96.98 2 0 25.96-999 ?-999 ?-999 ? O1 FMT A 1 mVAL~B 278 13.14 20.63 95.35 12.93 19.70 95.63 14.54 21.66 93.63 15.05 22.76 93.40 14.49 21.10 95.06 15.52 19.97 95.21 3 0 27.46-999 ?-999 ?-999 ? O1 FMT A 1 mPHE~B 279 13.99 20.91 92.68 13.59 20.06 93.04 13.26 22.63 91.10 13.81 23.56 90.52 13.97 21.28 91.27 13.27 20.19 90.46 3 0 27.70-999 ?-999 ?-999 ? O2 FMT B 2 mASP~B 280 12.06 22.71 91.64 11.72 21.84 92.00 12.11 25.13 92.28 12.09 26.23 91.73 11.30 23.95 91.72 10.06 23.73 92.58 2 0 26.90-999 ?-999 ?-999 ? O1 FMT A 1 mGLN~B 281 12.80 24.91 93.39 12.78 23.96 93.71 14.70 26.51 93.24 14.96 27.71 93.21 13.53 25.98 94.06 14.03 25.52 95.44 2 0 24.91-999 ?-999 ?-999 ? O1 FMT A 1 mMETB 282 15.41 25.60 92.58 15.09 24.66 92.68 16.10 26.68 90.50 16.72 27.64 90.04 16.57 25.99 91.79 17.40 24.77 91.44 2 0 25.73-999 ?-999 ?-999 ? O2 FMT B 2 mMETB 283 15.02 26.18 89.94 14.64 25.37 90.40 13.92 28.18 89.07 14.26 29.15 88.40 14.43 26.77 88.75 13.29 25.89 88.25 2 0 27.65-999 ?-999 ?-999 ? O2 FMT B 2 mTHR~B 284 13.10 28.26 90.11 12.87 27.38 90.52 13.68 30.58 90.77 13.48 31.75 90.45 12.58 29.53 90.61 11.85 29.34 91.96 2 0 25.75-999 ?-999 ?-999 ? O1 FMT A 1 mHIS~B 285 14.86 30.17 91.23 14.90 29.20 91.47 17.00 31.00 90.24 18.08 31.58 90.34 15.97 31.10 91.37 16.66 30.91 92.72 3 0 26.16-999 ?-999 ?-999 ? O1 FMT A 1 mARG~B 286 16.66 30.26 89.19 15.77 29.82 89.28 18.94 29.61 88.39 19.94 30.10 87.86 17.55 30.11 88.03 17.68 31.43 87.31 2 0 25.60-999 ?-999 ?-999 ? O2 FMT B 2 mLEU~B 287 19.01 28.65 89.30 18.12 28.34 89.64 20.69 27.00 88.81 19.86 26.22 88.38 20.28 28.12 89.76 20.15 27.58 91.20 3 0 22.46-999 ?-999 ?-999 ? O2 FMT B 2 mGLN~B 288 21.98 26.92 88.50 22.53 27.68 88.84 23.19 24.78 88.66 23.30 23.59 88.33 22.50 25.80 87.74 23.47 26.30 86.68 2 0 19.54-999 ?-999 ?-999 ? O2 FMT B 2 mLEU^B 289 23.62 25.26 89.82 23.28 26.18 90.02 24.01 24.83 92.13 23.43 25.88 92.37 24.50 24.54 90.72 25.91 25.11 90.55 3 0 17.60-999 ?-999 ?-999 ? O2 FMT B 2 mALA^B 290 24.21 23.90 93.07 24.59 23.04 92.72 24.54 23.14 95.42 24.61 21.95 95.11 23.90 24.16 94.48 22.39 24.21 94.71 2 0 19.14-999 ?-999 ?-999 ? O2 FMT B 2 mLEU^B 291 24.99 23.64 96.57 24.93 24.63 96.65 24.36 22.16 98.36 23.32 22.78 98.58 25.52 22.80 97.63 26.32 23.63 98.63 3 0 18.95-999 ?-999 ?-999 ? O2 FMT B 2 mVAL^B 292 24.53 20.90 98.72 25.36 20.47 98.36 24.13 20.21 101.00 25.31 19.94 101.22 23.58 20.24 99.57 23.26 18.83 99.05 3 0 21.54-999 ?-999 ?-999 ? O2 FMT B 2 mVAL^B 293 23.28 20.55 101.96 22.37 20.78 101.64 22.71 19.75 104.18 21.59 19.48 103.73 23.68 20.58 103.36 23.70 22.02 103.92 3 0 23.80-999 ?-999 ?-999 ? O2 FMT B 2 mASP~B 294 23.15 19.34 105.37 24.12 19.52 105.53 21.63 19.74 107.26 21.87 20.94 107.12 22.28 18.70 106.35 23.03 17.66 107.19 2 0 26.88-999 ?-999 ?-999 ? O1 FMT B 2 mGLU~B 295 20.81 19.27 108.20 20.81 18.28 108.27 20.85 21.10 109.88 20.33 22.05 110.47 20.00 20.15 109.04 19.15 19.30 109.99 2 0 25.68-999 ?-999 ?-999 ? O1 FMT A 1 mTYR~B 296 22.14 20.84 109.95 22.44 20.04 109.43 23.90 22.60 109.88 24.65 23.42 110.41 23.04 21.67 110.74 23.92 20.77 111.63 3 0 26.70-999 ?-999 ?-999 ? O1 FMT A 1 mGLY~B 297 23.77 22.50 108.56 23.13 21.79 108.25 25.81 22.78 107.12 26.60 23.48 106.50 24.51 23.36 107.65-999.99-999.99-999.99 1 0 26.42-999 ?-999 ?-999 ? O1 FMT B 2 mTHR~B 298 26.05 21.50 107.37 25.34 21.01 107.88 27.12 20.45 105.47 26.15 19.77 105.14 27.30 20.90 106.90 27.77 19.73 107.78 2 0 23.76-999 ?-999 ?-999 ? O1 FMT B 2 mVAL^B 299 28.06 20.85 104.63 28.81 21.36 105.05 28.18 19.05 102.97 29.19 18.49 103.38 28.00 20.55 103.20 29.07 21.31 102.42 3 0 20.55-999 ?-999 ?-999 ? O1 FMT B 2 mLEU^B 300 27.20 18.42 102.34 26.41 18.99 102.13 27.84 16.80 100.56 28.45 15.77 100.26 27.30 17.01 101.99 25.93 16.34 102.12 3 0 20.37-999 ?-999 ?-999 ? O1 FMT B 2 mGLY^B 301 27.60 17.79 99.69 27.17 18.60 100.08 27.50 18.75 97.35 27.09 19.84 97.79 27.96 17.64 98.29-999.99-999.99-999.99 1 0 17.54-999 ?-999 ?-999 ? O2 FMT B 2 mLEU^B 302 27.56 18.48 96.05 27.86 17.54 95.85 26.24 18.81 94.06 26.52 17.74 93.52 27.21 19.46 95.03 28.46 19.92 94.26 3 0 16.13-999 ?-999 ?-999 ? O2 FMT B 2 mVAL^B 303 25.09 19.44 93.87 24.97 20.27 94.42 23.91 19.94 91.78 23.94 21.16 91.99 24.10 18.94 92.92 22.76 18.63 93.63 3 0 18.23-999 ?-999 ?-999 ? O2 FMT B 2 mTHR^B 304 23.74 19.44 90.56 23.83 18.44 90.51 21.98 20.18 88.99 21.34 19.14 89.21 23.45 20.29 89.40 24.32 19.96 88.17 2 0 18.07-999 ?-999 ?-999 ? O2 FMT B 2 mLEU~B 305 21.46 21.25 88.40 22.09 22.02 88.33 19.96 20.30 86.73 18.92 19.67 86.53 20.09 21.28 87.91 19.73 22.70 87.46 3 0 21.32-999 ?-999 ?-999 ? O2 FMT B 2 mGLU~B 306 21.04 20.18 85.97 21.80 20.78 86.24 20.83 17.82 85.30 20.11 17.09 84.64 21.10 19.26 84.85 22.46 19.37 84.16 2 0 20.54-999 ?-999 ?-999 ? O2 FMT B 2 mASP~B 307 21.42 17.43 86.43 21.94 18.16 86.89 19.94 15.79 87.50 19.40 14.69 87.36 21.32 16.07 86.92 22.40 15.78 87.96 2 0 20.65-999 ?-999 ?-999 ? O2 FMT B 2 mILE~B 308 19.37 16.78 88.17 19.94 17.60 88.26 17.01 16.60 87.57 16.13 15.75 87.57 18.03 16.66 88.71 17.69 17.83 89.65 3 0 23.78-999 ?-999 ?-999 ? O2 FMT B 2 mPHE~B 309 17.13 17.52 86.62 17.84 18.20 86.81 16.34 16.14 84.79 15.31 15.51 84.59 16.31 17.52 85.42 16.83 18.57 84.43 3 0 25.40-999 ?-999 ?-999 ? O2 FMT B 2 mGLU~B 310 17.56 15.67 84.50 18.29 16.31 84.73 16.97 13.29 84.59 16.38 12.43 83.94 17.80 14.36 83.90 19.28 13.99 84.06 2 0 24.73-999 ?-999 ?-999 ? O2 FMT B 2 mHIS~B 311 16.92 13.37 85.91 17.28 14.22 86.28 14.87 12.16 86.70 14.33 11.06 86.68 16.39 12.30 86.75 16.85 12.49 88.19 3 0 26.44-999 ?-999 ?-999 ? O2 FMT B 2 mLEU~B 312 14.17 13.29 86.71 14.72 14.13 86.71 12.09 13.53 85.36 10.87 13.49 85.21 12.71 13.27 86.74 12.17 14.25 87.78 3 0 29.68-999 ?-999 ?-999 ? O2 FMT B 2 mVAL~B 313 12.94 13.78 84.37 13.90 13.81 84.65 13.61 13.78 81.99 13.60 12.82 81.22 12.48 13.99 83.00 11.88 15.40 82.81 3 0 30.05-999 ?-999 ?-999 ? O2 FMT B 2