HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 30-OCT-07 2ZBU COMPND UNCHARACTERIZED CONSERVED PROTEIN; COMPND 3 CHAIN: A, B, C, D; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: THERMOTOGA MARITIMA; SOURCE 3 ORGANISM_TAXID: 243274; SOURCE 4 STRAIN: MSB8; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 7 EXPRESSION_SYSTEM_STRAIN: BL21-CODONPLUS(DE3)-RIL-X; SOURCE 8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 9 EXPRESSION_SYSTEM_PLASMID: PET-21A AUTHOR A.EBIHARA,Y.FUJIMOTO,W.KAGAWA,N.FUJIKAWA,S.YOKOYAMA,S.KURAMITSU,RIKEN AUTHOR 2 STRUCTURAL GENOMICS/PROTEOMICS INITIATIVE (RSGI) HET MSE A 1 8 HET MSE A 80 8 HET MSE A 141 8 HET MSE A 160 8 HET MSE B 1 8 HET MSE B 80 8 HET MSE B 141 8 HET MSE B 160 8 HET MSE C 1 8 HET MSE C 80 8 HET MSE C 141 8 HET MSE C 160 8 HET MSE D 1 8 HET MSE D 80 8 HET MSE D 141 8 HET MSE D 160 8 HET ADN A 501 19 HET ADN B 502 19 HET ADN C 503 19 HET ADN D 504 19 SITE 1 AC1 16 ASP A 7 TRP A 8 PHE A 41 VAL A 66 SITE 1 AC2 14 ASP B 7 TRP B 8 PHE B 41 VAL B 66 SITE 1 AC3 15 ASP C 7 TRP C 8 PHE C 41 VAL C 66 SITE 1 AC4 15 ASP D 7 TRP D 8 PHE D 41 VAL D 66 mMETA 1 57.02 -23.54 27.92 57.00 -22.95 27.11 56.04 -23.96 30.18 55.57 -22.82 30.16 57.03 -24.42 29.12 58.45 -24.51 29.72 2 0 23.79-999 ?-999 ?-999 ? C5' ADN A 501 mILE^A 2 55.72 -24.87 31.08 56.16 -25.76 30.93 55.51 -24.61 33.52 56.20 -25.58 33.86 54.80 -24.60 32.17 53.65 -25.65 32.18 3 0 23.62-999 ?-999 ?-999 ? C5' ADN A 501 mGLY^A 3 55.37 -23.52 34.27 54.83 -22.80 33.85 54.88 -23.87 36.58 53.86 -23.20 36.71 55.97 -23.43 35.60-999.99-999.99-999.99 1 0 20.81-999 ?-999 ?-999 ? C5' ADN A 501 mPHE^A 4 55.13 -24.97 37.29 56.05 -25.33 37.14 54.46 -25.35 39.69 55.51 -25.78 40.20 54.16 -25.57 38.20 54.13 -27.08 37.88 3 0 21.46-999 ?-999 ?-999 ? C5' ADN A 501 mLEU^A 5 53.52 -24.72 40.39 52.70 -24.48 39.86 52.40 -24.67 42.62 51.33 -24.17 42.28 53.68 -24.41 41.82 54.11 -22.95 41.95 3 0 20.92-999 ?-999 ?-999 ? C5' ADN A 501 mTHR^A 6 52.52 -25.45 43.70 53.45 -25.78 43.87 51.77 -26.06 45.98 52.96 -26.08 46.32 51.37 -25.78 44.54 50.65 -27.08 44.06 2 0 23.00-999 ?-999 ?-999 ? C5' ADN A 501 mASP.A 7 50.76 -26.31 46.80 49.86 -26.24 46.37 50.45 -28.11 48.39 50.07 -28.52 49.49 50.94 -26.67 48.21 50.12 -25.73 49.08 2 0 -23.29-999 ?-999 ?-999 ? C8 ADN A 501s mTRP.A 8 50.45 -28.89 47.31 50.82 -28.45 46.49 50.91 -31.31 47.91 50.48 -32.38 48.36 49.95 -30.26 47.36 49.53 -30.74 45.97 3 0 -25.12-999 ?-999 ?-999 ? C3' ADN A 501s mGLY.A 9 52.21 -31.01 47.85 52.42 -30.11 47.47 53.48 -32.96 47.22 52.72 -33.02 46.26 53.21 -31.95 48.33-999.99-999.99-999.99 1 0 22.37-999 ?-999 ?-999 ? C3' ADN A 501 mLEU.A 10 54.56 -33.73 47.35 55.10 -33.56 48.17 54.54 -36.13 46.83 54.66 -37.12 46.10 54.90 -34.74 46.34 56.40 -34.68 46.01 3 0 21.78-999 ?-999 ?-999 ? C3' ADN A 501 mLYS.A 11 54.08 -36.21 48.07 54.04 -35.33 48.54 52.38 -37.99 48.09 52.24 -39.19 47.84 53.69 -37.48 48.68 53.57 -37.29 50.20 2 0 24.13-999 ?-999 ?-999 ? C3' ADN A 501 mSER.A 12 51.43 -37.09 47.85 51.68 -36.15 48.09 50.25 -37.68 45.76 51.19 -37.22 45.13 50.14 -37.47 47.28 49.08 -36.40 47.56 2 0 27.23-999 ?-999 ?-999 ? C3' ADN A 501 mHIS~A 13 49.28 -38.38 45.19 48.59 -38.72 45.83 48.67 -37.37 43.03 48.54 -37.37 41.82 49.24 -38.61 43.76 48.35 -39.82 43.44 3 0 28.75-999 ?-999 ?-999 ? O3' ADN A 501 mTYR~A 14 48.33 -36.32 43.78 48.50 -36.43 44.76 48.59 -34.47 42.06 48.09 -34.19 40.97 47.74 -35.12 43.16 47.43 -34.06 44.22 3 0 28.83-999 ?-999 ?-999 ? C3' ADN A 501 mVAL~A 15 49.85 -34.20 42.35 50.15 -34.45 43.28 50.70 -34.47 40.10 50.53 -33.98 38.99 50.70 -33.58 41.36 52.15 -33.41 41.88 3 0 25.85-999 ?-999 ?-999 ? C5' ADN A 501 mGLY~A 16 50.87 -35.77 40.30 50.98 -36.03 41.26 49.69 -36.71 38.28 49.84 -36.72 37.04 50.91 -36.70 39.19-999.99-999.99-999.99 1 0 27.36-999 ?-999 ?-999 ? O3' ADN A 501 mVAL~A 17 48.49 -36.74 38.85 48.47 -36.74 39.85 47.17 -35.44 37.28 46.67 -35.42 36.17 47.31 -36.77 38.02 45.99 -37.11 38.81 3 0 30.84-999 ?-999 ?-999 ? C5' ADN A 501 mALA~A 18 47.62 -34.35 37.89 48.00 -34.49 38.81 48.47 -33.09 35.97 48.10 -32.62 34.89 47.55 -33.06 37.21 47.99 -31.92 38.17 2 0 29.47-999 ?-999 ?-999 ? C5' ADN A 501 mLYS~A 19 49.67 -33.63 36.14 49.86 -33.97 37.06 50.10 -34.63 33.92 50.32 -34.36 32.74 50.62 -33.72 35.03 51.98 -34.22 35.53 2 0 27.70-999 ?-999 ?-999 ? C5' ADN A 501 mALA~A 20 49.40 -35.70 34.30 49.29 -35.82 35.29 47.77 -35.91 32.48 47.65 -36.13 31.27 48.86 -36.62 33.30 48.29 -37.86 33.97 2 0 30.97-999 ?-999 ?-999 ? C5' ADN A 501 mVAL~A 21 46.98 -35.06 33.13 47.16 -34.99 34.11 46.60 -33.37 31.40 46.18 -33.29 30.25 45.94 -34.31 32.43 45.09 -33.47 33.41 3 0 32.93-999 ?-999 ?-999 ? C5' ADN A 501 mILE~A 22 47.63 -32.66 31.84 47.87 -32.80 32.80 48.89 -32.53 29.74 48.69 -32.13 28.59 48.34 -31.75 30.94 49.51 -31.05 31.69 3 0 30.78-999 ?-999 ?-999 ? C5' ADN A 501 mLYS~A 23 49.59 -33.63 30.02 49.67 -33.82 31.00 49.13 -35.08 28.02 49.42 -35.31 26.85 50.17 -34.46 28.98 51.03 -35.57 29.62 2 0 31.11-999 ?-999 ?-999 ? C5' ADN A 501 mARG~A 24 47.92 -35.34 28.52 47.81 -35.12 29.49 46.44 -34.83 26.67 46.19 -35.12 25.51 46.88 -35.91 27.67 45.67 -36.35 28.51 2 0 29.94-999 ?-999 ?-999 ? O5' ADN C 503 mILE~A 25 46.35 -33.59 27.14 46.56 -33.50 28.11 47.12 -32.17 25.32 46.90 -32.04 24.12 45.97 -32.47 26.28 45.64 -31.23 27.13 3 0 29.31-999 ?-999 ?-999 ? O5' ADN C 503 mASN~A 26 48.33 -32.08 25.84 48.37 -32.20 26.83 50.69 -32.65 25.41 51.40 -32.29 26.34 49.49 -31.82 24.99 49.88 -30.34 25.02 2 0 28.95-999 ?-999 ?-999 ? O5' ADN C 503 mPRO.A 27 50.92 -33.77 24.71 50.26 -33.94 23.98 53.40 -33.97 24.92 54.38 -34.46 25.48 52.04 -34.67 24.99 51.90 -35.74 23.90 3 0 28.90-999 ?-999 ?-999 ? O5' ADN C 503 mSER.A 28 53.46 -32.81 24.26 52.59 -32.50 23.88 54.96 -31.03 25.21 55.99 -30.37 25.22 54.73 -32.10 24.13 54.84 -31.44 22.75 2 0 29.83-999 ?-999 ?-999 ? O5' ADN C 503 mALA.A 29 54.00 -30.89 26.12 53.22 -31.49 26.00 55.37 -30.17 28.05 55.65 -31.31 28.40 54.13 -29.90 27.19 52.88 -29.92 28.08 2 0 27.90-999 ?-999 ?-999 ? C5' ADN A 501 mGLU.A 30 56.10 -29.10 28.36 55.77 -28.24 27.99 56.90 -28.67 30.56 56.75 -27.45 30.73 57.29 -29.22 29.19 58.45 -28.42 28.60 2 0 24.17-999 ?-999 ?-999 ? C5' ADN A 501 mILE^A 31 56.74 -29.57 31.52 56.91 -30.51 31.24 57.50 -29.11 33.83 58.09 -30.13 34.19 56.33 -29.19 32.87 55.33 -30.19 33.45 3 0 22.60-999 ?-999 ?-999 ? C5' ADN A 501 mILE^A 32 57.80 -27.90 34.28 57.24 -27.16 33.92 58.32 -27.34 36.57 57.65 -26.32 36.71 58.89 -27.72 35.21 59.87 -26.65 34.72 3 0 18.92-999 ?-999 ?-999 ? C5' ADN A 501 mASP^A 33 58.59 -28.19 37.56 59.13 -28.98 37.29 58.92 -26.86 39.62 60.15 -26.91 39.71 58.13 -27.97 38.92 58.28 -29.26 39.73 2 0 17.92-999 ?-999 ?-999 ? C5' ADN A 501 mILE^A 34 58.22 -25.84 40.10 57.23 -25.87 39.92 59.03 -25.34 42.23 60.11 -25.33 42.81 58.90 -24.79 40.81 58.12 -23.48 40.74 3 0 16.09-999 ?-999 ?-999 ? C5' ADN A 501 mTHR^A 35 57.92 -25.86 42.75 57.12 -25.75 42.15 56.41 -26.89 44.38 55.47 -26.19 43.99 57.85 -26.52 44.05 58.44 -25.68 45.24 2 0 16.70-999 ?-999 ?-999 ? C5' ADN A 501 mHIS.A 36 56.25 -28.03 45.05 57.09 -28.53 45.25 54.91 -28.55 46.98 54.01 -29.14 47.58 54.93 -28.47 45.46 54.59 -29.82 44.81 3 0 19.89-999 ?-999 ?-999 ? C5' ADN A 501 mGLU.A 37 55.92 -27.93 47.59 56.57 -27.48 46.98 55.73 -26.60 49.72 56.26 -26.33 50.80 56.03 -27.94 49.04 57.42 -28.43 49.47 2 0 18.54-999 ?-999 ?-999 ? C8 ADN A 501 mVAL.A 38 54.92 -25.75 49.09 54.62 -26.03 48.18 53.69 -25.00 50.92 52.94 -25.97 50.78 54.53 -24.51 49.74 53.64 -23.63 48.83 3 0 19.36-999 ?-999 ?-999 ? C8 ADN A 501 mGLU.A 39 53.83 -24.38 52.08 54.49 -23.62 52.08 51.58 -24.72 52.90 51.14 -23.81 52.18 53.06 -24.80 53.24 53.36 -23.91 54.46 2 0 20.89-999 ?-999 ?-999 ? N7 ADN A 501 mPRO.A 40 50.77 -25.66 53.42 51.24 -26.34 53.99 48.65 -24.31 53.26 48.77 -23.61 54.27 49.33 -25.67 53.15 48.81 -26.68 54.16 3 0 24.68-999 ?-999 ?-999 ? N7 ADN A 501 mPHE.A 41 47.94 -23.94 52.19 47.98 -24.60 51.44 48.02 -21.42 52.18 47.47 -20.32 52.18 47.19 -22.70 52.12 46.15 -22.62 53.26 3 0 -26.57-999 ?-999 ?-999 ? N7 ADN A 501s mASN~A 42 49.35 -21.54 52.21 49.69 -22.48 52.16 50.38 -19.57 51.01 51.47 -19.60 50.41 50.18 -20.34 52.31 51.55 -20.69 52.89 2 0 23.66-999 ?-999 ?-999 ? N7 ADN A 501 mVAL~A 43 49.35 -18.84 50.59 48.54 -18.88 51.18 50.49 -16.96 49.43 51.12 -16.65 48.42 49.41 -18.05 49.37 48.04 -17.38 49.05 3 0 24.82-999 ?-999 ?-999 ? N7 ADN A 501 mARG~A 44 50.70 -16.38 50.61 50.12 -16.72 51.35 53.06 -15.89 50.35 53.75 -15.30 49.51 51.70 -15.34 50.77 51.74 -14.84 52.23 2 0 23.15-999 ?-999 ?-999 ? N7 ADN A 501 mLYS~A 45 53.42 -17.03 50.92 52.76 -17.39 51.57 54.75 -18.03 49.10 55.77 -17.78 48.44 54.68 -17.71 50.60 54.77 -19.00 51.42 2 0 19.65-999 ?-999 ?-999 ? N7 ADN A 501 mALA~A 46 53.66 -18.56 48.55 52.90 -18.71 49.18 53.82 -17.64 46.26 54.55 -17.68 45.26 53.63 -18.88 47.12 52.32 -19.57 46.75 2 0 20.86-999 ?-999 ?-999 ? C8 ADN A 501 mSER~A 47 53.19 -16.52 46.65 52.66 -16.61 47.49 54.78 -14.87 45.71 55.19 -14.42 44.64 53.32 -15.29 45.86 52.49 -14.15 46.48 2 0 22.35-999 ?-999 ?-999 ? C8 ADN A 501 mHIS~A 48 55.57 -15.04 46.76 55.12 -15.42 47.57 57.82 -15.69 45.93 58.66 -15.30 45.11 56.99 -14.68 46.72 57.56 -14.56 48.13 3 0 19.07-999 ?-999 ?-999 ? N7 ADN A 501 mVAL~A 49 57.60 -16.97 46.20 56.92 -17.14 46.91 58.03 -17.87 44.01 58.94 -17.88 43.18 58.33 -18.03 45.50 57.91 -19.46 45.99 3 0 16.94-999 ?-999 ?-999 ? C5' ADN A 501 mLEU~A 50 56.76 -17.68 43.67 56.12 -17.67 44.43 57.18 -16.40 41.59 57.81 -16.63 40.56 56.37 -17.50 42.27 54.89 -17.15 42.16 3 0 19.23-999 ?-999 ?-999 ? C5' ADN A 501 mTYR~A 51 57.14 -15.20 42.15 56.58 -15.13 42.98 59.37 -14.44 41.41 59.93 -14.31 40.32 57.89 -14.10 41.57 57.77 -12.83 42.44 3 0 19.24-999 ?-999 ?-999 ? O5' ADN A 501 mARG~A 52 59.99 -14.86 42.50 59.42 -14.94 43.31 61.79 -16.22 41.43 62.81 -16.09 40.74 61.42 -15.18 42.47 61.88 -15.57 43.87 2 0 15.51-999 ?-999 ?-999 ? O5' ADN A 501 mALA~A 53 60.96 -17.25 41.28 60.16 -17.24 41.88 60.97 -17.77 38.88 61.72 -18.09 37.95 61.23 -18.28 40.29 60.36 -19.51 40.56 2 0 15.00-999 ?-999 ?-999 ? O5' ADN A 501 mSER~A 54 59.94 -16.96 38.70 59.43 -16.73 39.53 60.73 -15.69 36.68 60.81 -15.66 35.45 59.60 -16.47 37.36 58.34 -15.60 37.42 2 0 18.08-999 ?-999 ?-999 ? O5' ADN A 501 mLEU~A 55 61.59 -15.05 37.47 61.40 -15.16 38.45 63.66 -15.10 36.07 64.40 -14.53 35.26 62.72 -14.28 36.96 63.51 -13.67 38.12 3 0 16.72-999 ?-999 ?-999 ? O5' ADN A 501 mASP.A 56 63.66 -16.41 36.24 63.03 -16.75 36.94 63.79 -18.09 34.40 64.38 -18.95 33.75 64.53 -17.27 35.45 65.34 -18.20 36.36 2 0 14.99-999 ?-999 ?-999 ? O5' ADN A 501 mPHE.A 57 62.49 -17.83 34.25 62.13 -17.14 34.87 61.63 -17.55 32.07 61.62 -16.33 32.26 61.70 -18.52 33.24 60.29 -18.87 33.75 3 0 18.06-999 ?-999 ?-999 ? O5' ADN A 501 mPRO.A 58 61.60 -18.07 30.85 61.62 -19.07 30.79 60.19 -16.49 29.54 59.21 -16.84 30.20 61.54 -17.16 29.71 61.87 -18.07 28.54 3 0 20.94-999 ?-999 ?-999 ? O5' ADN A 501 mPRO.A 59 60.12 -15.48 28.66 60.98 -15.24 28.19 57.96 -15.85 27.74 58.47 -16.75 27.10 58.84 -14.81 28.45 59.21 -13.63 27.56 3 0 24.26-999 ?-999 ?-999 ? O5' ADN A 501 mSER.A 60 56.64 -15.73 27.88 56.37 -14.95 28.44 55.59 -17.97 28.04 55.04 -18.95 27.55 55.69 -16.66 27.27 56.01 -16.92 25.79 2 0 26.73-999 ?-999 ?-999 ? O5' ADN A 501 mTHR.A 61 56.15 -18.00 29.24 56.63 -17.16 29.50 54.64 -19.11 30.68 54.14 -18.03 31.00 56.05 -19.17 30.08 57.07 -19.13 31.24 2 0 24.19-999 ?-999 ?-999 ? O5' ADN A 501 mVAL^A 62 54.00 -20.27 30.79 54.50 -21.06 30.44 52.83 -20.95 32.78 53.24 -22.11 32.96 52.67 -20.37 31.37 51.73 -21.28 30.54 3 0 26.04-999 ?-999 ?-999 ? C5' ADN A 501 mPHE^A 63 52.52 -20.15 33.78 52.21 -19.23 33.52 51.31 -21.19 35.67 50.24 -20.60 35.49 52.63 -20.62 35.15 53.13 -19.48 36.06 3 0 24.19-999 ?-999 ?-999 ? C5' ADN A 501 mLEU^A 64 51.39 -22.38 36.25 52.32 -22.76 36.27 50.47 -22.93 38.31 51.31 -23.62 38.88 50.23 -23.06 36.81 50.22 -24.53 36.36 3 0 25.56-999 ?-999 ?-999 ? C5' ADN A 501 mVAL^A 65 49.73 -22.02 38.94 49.08 -21.55 38.36 48.62 -22.13 41.13 47.58 -21.46 41.02 49.88 -21.75 40.37 50.18 -20.25 40.59 3 0 25.00-999 ?-999 ?-999 ? C5' ADN A 501 mVAL^A 66 48.70 -23.19 41.93 49.60 -23.62 41.97 47.72 -23.88 44.16 48.04 -24.99 44.59 47.54 -23.64 42.66 46.96 -24.94 42.06 3 0 -26.87-999 ?-999 ?-999 ? C5' ADN A 501s mVAL.A 67 47.56 -22.81 44.93 47.42 -21.96 44.42 46.16 -22.26 46.50 45.98 -21.05 46.46 47.56 -22.87 46.39 48.62 -21.95 47.01 3 0 -26.57-999 ?-999 ?-999 ? C8 ADN A 501s mASP.A 68 45.17 -23.13 46.62 45.45 -24.08 46.76 42.83 -23.20 47.62 41.97 -24.04 47.36 43.80 -22.68 46.54 43.38 -23.06 45.10 2 0 -30.28-999 ?-999 ?-999 ? C8 ADN A 501s mTYR.A 69 42.97 -22.66 48.82 43.70 -21.98 48.89 40.66 -22.73 49.67 39.78 -23.35 50.24 42.13 -23.04 49.94 42.60 -22.33 51.22 3 0 -31.67-999 ?-999 ?-999 ? N7 ADN A 501s mGLY.A 70 40.41 -21.77 48.78 41.21 -21.34 48.37 38.49 -22.19 47.27 37.52 -21.77 46.64 39.04 -21.42 48.46-999.99-999.99-999.99 1 0 34.86-999 ?-999 ?-999 ? N7 ADN A 501 mVAL.A 71 39.09 -23.34 46.96 39.85 -23.59 47.56 37.13 -24.46 45.94 36.64 -24.80 47.02 38.62 -24.13 45.82 39.45 -25.45 45.66 3 0 35.52-999 ?-999 ?-999 ? C8 ADN A 501 mGLY.A 72 36.39 -24.31 44.84 36.89 -23.99 44.04 34.07 -23.51 45.36 32.85 -23.66 45.38 34.97 -24.62 44.86-999.99-999.99-999.99 1 0 38.74-999 ?-999 ?-999 ? O2' ADN B 502 mTHR.A 73 34.64 -22.39 45.79 35.64 -22.38 45.75 33.65 -20.24 45.16 34.10 -20.45 44.04 33.81 -21.28 46.27 34.45 -20.60 47.49 2 0 36.18-999 ?-999 ?-999 ? C2 ADN B 502 mSER.A 74 32.99 -19.12 45.48 32.69 -19.07 46.43 34.04 -17.35 44.03 34.00 -16.50 43.15 32.77 -18.08 44.48 31.75 -17.05 45.01 2 0 32.42-999 ?-999 ?-999 ? C2 ADN B 502 mARG.A 75 35.18 -17.68 44.65 35.10 -18.37 45.36 36.63 -17.29 42.76 36.35 -18.38 42.26 36.43 -17.03 44.25 37.61 -17.60 45.04 2 0 33.21-999 ?-999 ?-999 ? C2 ADN B 502 mLYS.A 76 37.12 -16.29 42.03 37.32 -15.45 42.55 38.57 -17.25 40.22 39.52 -17.33 40.98 37.32 -16.45 40.59 37.39 -15.08 39.91 2 0 32.03-999 ?-999 ?-999 ? C2 ADN B 502 mALA^A 77 38.51 -17.87 39.04 37.63 -17.75 38.58 40.06 -17.72 37.35 39.25 -17.32 36.51 39.61 -18.64 38.48 39.11 -19.97 37.92 2 0 34.55-999 ?-999 ?-999 ? C2 ADN B 502 mILE^A 78 41.34 -17.37 37.32 41.92 -17.80 38.02 43.12 -16.76 35.63 43.89 -17.61 36.07 41.81 -16.43 36.33 42.01 -15.03 36.97 3 0 33.89-999 ?-999 ?-999 ? C2 ADN B 502 mVAL^A 79 43.35 -16.05 34.53 42.59 -15.44 34.29 45.08 -14.69 33.64 44.40 -13.83 33.07 44.58 -16.14 33.76 44.35 -16.71 32.34 3 0 32.82-999 ?-999 ?-999 ? C5' ADN A 501 mMETA 80 46.25 -14.41 34.21 46.68 -15.20 34.66 48.05 -13.03 33.21 48.92 -13.90 33.28 46.84 -13.07 34.16 47.31 -12.63 35.56 2 0 31.46-999 ?-999 ?-999 ? O5' ADN A 501 mLYS^A 81 48.07 -12.05 32.32 47.26 -11.46 32.33 49.91 -10.60 31.87 49.31 -9.53 31.91 49.19 -11.87 31.40 48.72 -11.65 29.96 2 0 30.92-999 ?-999 ?-999 ? O5' ADN A 501 mTHR^A 82 51.18 -10.74 32.24 51.54 -11.67 32.18 52.68 -8.90 31.58 52.82 -9.45 30.49 51.94 -9.58 32.71 52.94 -9.97 33.82 2 0 29.03-999 ?-999 ?-999 ? O5' ADN A 501 mLYS.A 83 53.16 -7.68 31.85 53.01 -7.37 32.79 55.19 -7.41 30.38 55.75 -6.91 29.41 53.84 -6.89 30.84 53.92 -5.43 31.30 2 0 29.77-999 ?-999 ?-999 ? O5' ADN A 501 mASN.A 84 55.73 -8.42 31.07 55.21 -8.71 31.88 56.62 -10.24 29.79 57.44 -11.13 29.57 56.99 -9.02 30.63 57.87 -9.42 31.81 2 0 26.60-999 ?-999 ?-999 ? O5' ADN A 501 mASP.A 85 55.37 -10.30 29.36 54.80 -9.53 29.67 54.78 -12.78 29.14 54.86 -13.78 28.43 54.86 -11.38 28.53 55.66 -11.44 27.21 2 0 28.18-999 ?-999 ?-999 ? O5' ADN A 501 mGLN.A 86 54.63 -12.87 30.46 54.63 -12.01 30.96 52.96 -14.34 31.39 52.24 -13.34 31.45 54.46 -14.18 31.08 55.34 -14.33 32.33 2 0 26.04-999 ?-999 ?-999 ? O5' ADN A 501 mTYR^A 87 52.51 -15.58 31.55 53.21 -16.28 31.45 50.97 -16.68 33.11 51.78 -17.58 33.38 51.10 -15.87 31.83 50.50 -16.65 30.66 3 0 27.93-999 ?-999 ?-999 ? O5' ADN A 501 mPHE^A 88 49.94 -16.38 33.90 49.35 -15.65 33.56 48.28 -17.56 35.29 47.34 -16.77 35.19 49.72 -17.07 35.17 50.05 -16.15 36.34 3 0 27.47-999 ?-999 ?-999 ? C5' ADN A 501 mVAL^A 89 48.14 -18.87 35.49 49.01 -19.36 35.54 46.73 -19.82 37.14 47.49 -20.61 37.71 46.85 -19.54 35.64 46.83 -20.88 34.84 3 0 29.44-999 ?-999 ?-999 ? C5' ADN A 501 mALA^A 90 45.76 -19.17 37.78 45.17 -18.60 37.21 44.29 -18.85 39.79 43.45 -18.28 39.08 45.62 -19.31 39.22 46.74 -18.50 39.89 2 0 29.66-999 ?-999 ?-999 ? C5' ADN A 501 mPRO^A 91 44.08 -19.12 41.10 44.81 -19.62 41.56 43.05 -17.20 42.00 44.19 -16.74 42.11 42.85 -18.69 41.76 42.85 -19.49 43.06 3 0 32.05-999 ?-999 ?-999 ? C5' ADN A 501 mASP.A 92 41.97 -16.44 42.05 41.11 -16.93 41.90 42.04 -14.81 43.82 41.08 -14.26 44.37 42.06 -15.01 42.31 40.87 -14.30 41.64 2 0 33.53-999 ?-999 ?-999 ? C5' ADN A 501 mASN.A 93 43.09 -15.29 44.49 43.79 -15.70 43.91 44.39 -14.39 46.42 44.75 -14.45 47.59 43.18 -15.19 45.94 43.23 -16.59 46.57 2 0 31.91-999 ?-999 ?-999 ? N7 ADN A 501 mGLY.A 94 45.02 -13.68 45.50 44.64 -13.74 44.58 47.53 -13.53 45.66 48.56 -12.91 45.92 46.17 -12.87 45.86-999.99-999.99-999.99 1 0 29.72-999 ?-999 ?-999 ? N7 ADN A 501 mVAL.A 95 47.54 -14.78 45.21 46.64 -15.17 45.03 49.60 -14.82 43.88 50.82 -14.97 43.82 48.79 -15.48 45.00 48.56 -16.97 44.67 3 0 26.67-999 ?-999 ?-999 ? C8 ADN A 501 mLEU~A 96 48.93 -14.07 43.00 47.94 -14.03 43.16 49.95 -11.94 42.26 50.22 -11.13 41.38 49.63 -13.40 41.91 48.79 -13.42 40.63 3 0 26.98-999 ?-999 ?-999 ? C5' ADN A 501 mTHR~A 97 49.90 -11.61 43.55 49.67 -12.36 44.17 51.57 -9.74 43.58 51.70 -8.67 42.98 50.18 -10.24 43.97 50.02 -10.06 45.50 2 0 27.57-999 ?-999 ?-999 ? O5' ADN A 501 mVAL~A 98 52.61 -10.50 43.92 52.38 -11.36 44.37 54.31 -9.94 42.15 54.90 -8.93 41.75 53.97 -10.06 43.63 55.03 -10.97 44.36 3 0 24.35-999 ?-999 ?-999 ? O5' ADN A 501 mVAL~A 99 53.95 -10.91 41.31 53.46 -11.68 41.71 53.50 -9.59 39.28 54.04 -8.85 38.46 54.27 -10.77 39.88 53.97 -12.07 39.05 3 0 24.24-999 ?-999 ?-999 ? O5' ADN A 501 mALA~A 100 52.25 -9.40 39.71 51.92 -10.07 40.37 52.13 -6.94 39.55 52.27 -6.07 38.70 51.44 -8.27 39.22 50.03 -8.30 39.85 2 0 28.00-999 ?-999 ?-999 ? O5' ADN A 501 mGLU~A 101 52.54 -6.80 40.81 52.36 -7.59 41.39 54.56 -5.37 40.58 54.82 -4.30 40.02 53.21 -5.59 41.26 53.40 -5.64 42.78 2 0 27.75-999 ?-999 ?-999 ? O5' ADN A 501 mGLU~A 102 55.41 -6.39 40.62 55.07 -7.21 41.07 56.78 -6.20 38.51 57.59 -5.46 37.95 56.74 -6.27 40.03 57.64 -7.43 40.49 2 0 24.84-999 ?-999 ?-999 ? O5' ADN A 501 mTYR~A 103 55.92 -6.96 37.84 55.31 -7.50 38.41 54.86 -6.04 35.74 55.02 -5.62 34.59 55.91 -6.96 36.38 55.67 -8.38 35.83 3 0 25.99-999 ?-999 ?-999 ? O5' ADN A 501 mGLY~A 104 53.78 -5.76 36.47 53.77 -6.14 37.39 51.80 -5.87 35.11 52.29 -6.81 34.48 52.71 -4.94 35.90-999.99-999.99-999.99 1 0 29.70-999 ?-999 ?-999 ? O5' ADN A 501 mVAL^A 105 50.49 -5.64 35.11 50.19 -4.84 35.63 49.07 -5.97 33.06 48.59 -4.84 32.99 49.60 -6.54 34.37 48.42 -7.08 35.29 3 0 31.71-999 ?-999 ?-999 ? O5' ADN A 501 mALA^A 106 49.18 -6.77 32.00 49.60 -7.66 32.18 47.23 -6.69 30.50 46.48 -5.94 29.88 48.70 -6.33 30.69 49.54 -6.95 29.59 2 0 32.93-999 ?-999 ?-999 ? C2 ADN B 502 mGLU^A 107 46.82 -7.82 31.05 47.52 -8.34 31.55 45.10 -9.42 31.81 45.95 -10.24 32.13 45.44 -8.25 30.90 45.18 -8.65 29.44 2 0 31.04-999 ?-999 ?-999 ? C2 ADN B 502 mILE^A 108 43.83 -9.48 32.21 43.26 -8.73 31.89 42.06 -11.11 32.43 41.18 -10.35 32.02 43.34 -10.57 33.05 43.00 -10.09 34.48 3 0 30.70-999 ?-999 ?-999 ? C2 ADN B 502 mARG^A 109 41.97 -12.44 32.35 42.77 -12.92 32.70 40.23 -14.04 32.87 41.00 -14.68 33.59 40.79 -13.11 31.81 41.17 -13.94 30.59 2 0 30.37-999 ?-999 ?-999 ? O2' ADN B 502 mGLU^A 110 38.91 -14.10 32.99 38.39 -13.49 32.40 38.18 -16.32 33.17 37.86 -16.29 31.97 38.32 -15.02 33.95 36.94 -14.54 34.42 2 0 30.08-999 ?-999 ?-999 ? O2' ADN B 502 mILE.A 111 38.44 -17.44 33.83 38.72 -17.33 34.78 36.83 -19.07 33.04 36.19 -19.41 34.02 38.31 -18.73 33.15 39.04 -19.84 33.92 3 0 32.55-999 ?-999 ?-999 ? O2' ADN B 502 mGLU.A 112 36.30 -18.99 31.82 36.94 -18.73 31.10 34.61 -20.30 30.52 33.54 -20.90 30.49 34.88 -19.25 31.60 34.18 -17.95 31.22 2 0 30.59-999 ?-999 ?-999 ? O2' ADN B 502 mASN~A 113 35.58 -20.50 29.64 36.40 -19.95 29.79 35.52 -22.90 29.02 36.62 -23.43 29.22 35.42 -21.44 28.54 36.46 -21.13 27.47 2 0 32.47-999 ?-999 ?-999 ? O2' ADN B 502 mARG~A 114 34.37 -23.53 29.20 33.55 -22.99 28.99 34.84 -25.95 28.71 35.05 -27.10 29.09 34.32 -24.91 29.69 32.90 -25.26 30.13 2 0 34.84-999 ?-999 ?-999 ? O2' ADN B 502 mGLU~A 115 35.05 -25.56 27.46 34.81 -24.62 27.25 37.07 -26.74 26.85 37.69 -27.68 26.36 35.60 -26.50 26.50 35.49 -25.96 25.07 2 0 32.32-999 ?-999 ?-999 ? O5' ADN C 503 mLEU~A 116 37.62 -25.88 27.70 37.01 -25.17 28.03 39.22 -26.89 29.33 40.35 -27.18 29.71 39.03 -26.01 28.09 39.61 -24.62 28.38 3 0 33.41-999 ?-999 ?-999 ? O5' ADN C 503 mPHE~A 117 38.12 -27.32 29.94 37.27 -27.03 29.50 38.59 -29.58 30.89 38.49 -30.09 29.76 38.19 -28.14 31.14 36.83 -28.15 31.87 3 0 35.38-999 ?-999 ?-999 ? O5' ADN C 503 mTYR.A 118 39.04 -30.25 31.94 39.10 -29.71 32.79 38.14 -32.49 31.85 37.99 -33.40 31.05 39.41 -31.65 31.85 40.29 -32.04 33.05 3 0 34.79-999 ?-999 ?-999 ? O5' ADN C 503 mLYS.A 119 37.21 -32.16 32.75 37.46 -31.37 33.32 34.75 -31.97 32.73 34.77 -30.82 33.16 35.96 -32.89 32.88 35.87 -33.59 34.24 2 0 35.92-999 ?-999 ?-999 ? O5' ADN C 503 mLYS.A 120 33.69 -32.49 32.12 33.79 -33.44 31.82 31.98 -31.29 33.33 31.48 -30.18 33.51 32.49 -31.69 31.95 31.44 -32.49 31.17 2 0 36.13-999 ?-999 ?-999 ? O5' ADN C 503 mASN.A 121 32.13 -32.19 34.31 32.56 -33.04 34.02 32.88 -31.83 36.64 33.23 -32.81 37.29 31.68 -31.91 35.67 30.69 -32.98 36.14 2 0 39.76-999 ?-999 ?-999 ? O5' ADN C 503 mPRO.A 122 33.50 -30.65 36.75 33.10 -29.93 36.17 34.39 -30.80 39.08 33.33 -30.52 39.61 34.66 -30.42 37.63 34.92 -28.92 37.48 3 0 40.92-999 ?-999 ?-999 ? C5' ADN A 501 mSER.A 123 35.36 -31.44 39.72 36.18 -31.64 39.19 35.10 -30.49 41.89 35.52 -29.45 41.40 35.19 -31.81 41.12 36.38 -32.64 41.62 2 0 40.13-999 ?-999 ?-999 ? C5' ADN A 501 mPHE.A 124 34.54 -30.53 43.09 34.24 -31.44 43.39 35.67 -28.89 44.60 35.84 -27.70 44.90 34.39 -29.33 43.89 33.29 -29.53 44.94 3 0 40.29-999 ?-999 ?-999 ? C5' ADN A 501 mTHR.A 125 36.56 -29.83 44.89 36.33 -30.75 44.58 39.12 -29.71 44.89 40.18 -29.64 45.52 37.79 -29.49 45.60 37.83 -30.21 46.97 2 0 -36.91-999 ?-999 ?-999 ? C5' ADN A 501s mPHE~A 126 39.10 -29.98 43.59 38.20 -30.03 43.17 40.37 -29.50 41.51 40.62 -30.14 40.49 40.37 -30.18 42.88 40.67 -31.68 42.74 3 0 -34.59-999 ?-999 ?-999 ? C5' ADN A 501s mHIS~A 127 40.08 -28.19 41.49 39.88 -27.79 42.39 41.49 -27.44 39.64 41.67 -27.22 38.45 40.08 -27.44 40.24 39.61 -26.00 40.46 3 0 34.77-999 ?-999 ?-999 ? C5' ADN A 501 mGLY~A 128 42.50 -27.69 40.48 42.24 -27.84 41.43 43.90 -28.70 38.79 44.45 -28.39 37.73 43.86 -27.74 39.97-999.99-999.99-999.99 1 0 31.15-999 ?-999 ?-999 ? C5' ADN A 501 mARG~A 129 43.26 -29.85 38.97 42.84 -29.94 39.87 42.15 -30.65 36.86 42.43 -30.80 35.67 43.21 -30.88 37.94 42.93 -32.24 38.57 2 0 32.74-999 ?-999 ?-999 ? C5' ADN A 501 mASP~A 130 40.94 -30.30 37.28 40.87 -30.15 38.26 39.71 -28.84 35.57 39.07 -28.81 34.52 39.84 -30.14 36.34 38.53 -30.43 37.07 2 0 36.19-999 ?-999 ?-999 ? C5' ADN A 501 mILE~A 131 40.33 -27.78 36.07 40.86 -27.95 36.90 41.56 -25.81 35.14 41.90 -25.58 33.98 40.22 -26.49 35.41 39.33 -25.54 36.25 3 0 35.61-999 ?-999 ?-999 ? C5' ADN A 501 mPHE~A 132 42.31 -25.50 36.20 41.91 -25.77 37.08 44.60 -25.55 35.17 45.11 -24.97 34.21 43.59 -24.83 36.05 44.23 -24.56 37.43 3 0 32.11-999 ?-999 ?-999 ? C5' ADN A 501 mALA~A 133 44.90 -26.81 35.48 44.41 -27.17 36.27 45.52 -27.68 33.23 46.36 -27.48 32.35 45.88 -27.57 34.71 46.05 -28.97 35.31 2 0 30.60-999 ?-999 ?-999 ? C5' ADN A 501 mPRO~A 134 44.25 -28.01 32.92 43.62 -28.17 33.68 43.97 -26.74 30.81 44.34 -26.65 29.65 43.92 -28.11 31.50 42.52 -28.75 31.50 3 0 33.70-999 ?-999 ?-999 ? C5' ADN A 501 mVAL~A 135 43.62 -25.68 31.52 43.33 -25.87 32.46 45.16 -24.00 30.63 45.48 -23.49 29.56 43.68 -24.35 30.92 43.04 -23.29 31.85 3 0 33.89-999 ?-999 ?-999 ? C5' ADN A 501 mALA~A 136 46.05 -24.28 31.57 45.66 -24.69 32.40 47.99 -24.80 30.17 48.78 -24.27 29.37 47.48 -24.01 31.38 48.27 -24.40 32.63 2 0 30.28-999 ?-999 ?-999 ? C5' ADN A 501 mALA~A 137 47.55 -26.05 30.05 46.93 -26.34 30.78 47.54 -26.28 27.59 48.34 -26.19 26.66 47.95 -26.90 28.92 47.34 -28.29 29.06 2 0 31.26-999 ?-999 ?-999 ? C5' ADN A 501 mHIS~A 138 46.28 -25.86 27.50 45.73 -26.01 28.32 46.58 -23.98 25.91 47.01 -23.80 24.76 45.80 -25.25 26.26 44.29 -24.96 26.36 3 0 32.18-999 ?-999 ?-999 ? O5' ADN C 503 mLEU~A 139 46.79 -23.11 26.90 46.41 -23.39 27.78 48.96 -22.16 26.20 49.45 -21.54 25.26 47.53 -21.86 26.67 47.56 -21.03 27.96 3 0 32.76-999 ?-999 ?-999 ? C5' ADN A 501 mASP~A 140 49.62 -23.13 26.84 49.10 -23.56 27.58 50.99 -24.08 25.05 52.03 -24.06 24.40 50.97 -23.50 26.47 51.53 -24.52 27.47 2 0 30.09-999 ?-999 ?-999 ? C5' ADN A 501 mMETA 141 49.85 -24.60 24.60 49.11 -24.58 25.26 49.41 -24.05 22.22 49.29 -24.33 21.04 49.71 -25.15 23.24 48.56 -26.16 23.14 2 0 30.36-999 ?-999 ?-999 ? O5' ADN C 503 mGLY~A 142 49.22 -22.81 22.68 49.28 -22.70 23.67 47.53 -21.17 21.68 47.20 -20.38 20.79 48.95 -21.72 21.74-999.99-999.99-999.99 1 0 31.01-999 ?-999 ?-999 ? O5' ADN C 503 mLEU~A 143 46.68 -21.57 22.62 47.05 -22.22 23.28 45.40 -19.57 22.83 46.10 -19.12 23.73 45.31 -21.07 22.63 44.52 -21.67 23.78 3 0 31.54-999 ?-999 ?-999 ? O5' ADN C 503 mPRO~A 144 44.70 -18.78 22.00 44.17 -19.23 21.29 44.16 -17.00 23.57 43.20 -17.64 24.00 44.76 -17.32 22.21 43.93 -16.77 21.05 3 0 33.72-999 ?-999 ?-999 ? O5' ADN C 503 mLEU~A 145 44.73 -16.00 24.25 45.49 -15.56 23.77 42.77 -15.25 25.64 42.10 -15.53 26.63 44.26 -15.60 25.57 45.08 -14.41 26.07 3 0 34.49-999 ?-999 ?-999 ? O2' ADN B 502 mGLU~A 146 42.25 -14.65 24.58 42.88 -14.49 23.82 39.87 -15.43 24.58 38.70 -15.26 24.94 40.85 -14.26 24.57 40.55 -13.35 23.38 2 0 31.09-999 ?-999 ?-999 ? O2' ADN B 502 mARG~A 147 40.33 -16.62 24.21 41.29 -16.65 23.95 39.16 -18.33 25.60 38.31 -19.21 25.78 39.43 -17.77 24.20 39.98 -18.88 23.30 2 0 32.43-999 ?-999 ?-999 ? O2' ADN B 502 mVAL~A 148 39.87 -17.80 26.60 40.50 -17.08 26.31 38.41 -17.80 28.64 37.84 -18.54 29.45 39.73 -18.24 27.99 40.91 -17.72 28.84 3 0 32.76-999 ?-999 ?-999 ? O2' ADN B 502 mGLY~A 149 37.95 -16.60 28.28 38.52 -16.13 27.61 36.79 -14.53 28.79 37.69 -13.97 28.17 36.73 -16.05 28.82-999.99-999.99-999.99 1 0 29.10-999 ?-999 ?-999 ? O2' ADN B 502 mASP~A 150 35.87 -13.86 29.48 35.21 -14.44 29.96 37.00 -11.77 30.28 37.66 -12.44 31.08 35.85 -12.40 29.50 34.53 -11.89 30.08 2 0 25.94-999 ?-999 ?-999 ? O2' ADN B 502 mARG~A 151 37.24 -10.49 30.04 36.65 -10.08 29.35 37.81 -9.36 32.14 36.61 -9.19 32.36 38.29 -9.77 30.75 38.69 -8.49 30.00 2 0 26.29-999 ?-999 ?-999 ? O2' ADN B 502 mLEU~A 152 38.75 -9.21 33.06 39.68 -9.41 32.73 39.26 -7.50 34.62 40.38 -7.39 34.12 38.46 -8.78 34.42 38.92 -9.84 35.43 3 0 25.93-999 ?-999 ?-999 ? C2 ADN B 502 mLEU~A 153 38.71 -6.53 35.34 37.80 -6.73 35.71 40.12 -5.16 36.86 40.85 -4.19 37.09 39.43 -5.29 35.52 38.49 -4.10 35.31 3 0 24.68-999 ?-999 ?-999 ? C2 ADN B 502 mSER~A 154 39.91 -6.13 37.75 39.29 -6.85 37.44 40.86 -7.52 39.52 40.42 -8.51 38.92 40.54 -6.11 39.05 39.65 -5.40 40.08 2 0 26.81-999 ?-999 ?-999 ? C2 ADN B 502 mTYR~A 155 41.62 -7.62 40.60 41.88 -6.74 41.01 42.40 -8.72 42.59 42.77 -7.62 43.00 42.01 -8.91 41.14 43.21 -9.46 40.35 3 0 30.14-999 ?-999 ?-999 ? C2 ADN B 502 mGLU~A 156 42.31 -9.80 43.36 42.01 -10.63 42.88 44.10 -9.51 45.05 44.97 -10.11 44.42 42.63 -9.77 44.78 42.19 -11.07 45.45 2 0 32.39-999 ?-999 ?-999 ? C2 ADN B 502 mVAL~A 157 44.37 -8.61 46.00 43.56 -8.22 46.43 46.03 -8.55 47.80 45.20 -8.29 48.68 45.73 -8.25 46.35 45.99 -6.74 46.09 3 0 31.81-999 ?-999 ?-999 ? N7 ADN A 501 mLEU~A 158 47.19 -9.12 48.06 47.75 -9.32 47.25 48.26 -8.16 49.97 49.05 -7.52 49.28 47.60 -9.42 49.43 48.61 -10.56 49.47 3 0 29.25-999 ?-999 ?-999 ? N7 ADN A 501 mLYS~A 159 47.93 -7.81 51.21 47.26 -8.41 51.65 49.98 -6.88 52.16 50.31 -7.85 52.83 48.51 -6.63 51.83 47.74 -6.28 53.11 2 0 29.74-999 ?-999 ?-999 ? N7 ADN A 501 mMETA 160 50.84 -5.99 51.68 50.42 -5.25 51.15 52.94 -4.79 52.24 52.81 -3.82 51.50 52.28 -6.11 51.92 52.96 -6.71 50.69 2 0 26.93-999 ?-999 ?-999 ? N7 ADN A 501 mARG~A 161 53.65 -4.76 53.36 53.68 -5.62 53.87 55.67 -3.43 53.03 56.56 -4.26 53.20 54.33 -3.54 53.76 54.55 -3.53 55.28 2 0 27.04-999 ?-999 ?-999 ? N6 ADN A 501 mLYS~A 162 55.79 -2.40 52.20 54.97 -1.82 52.15 58.16 -1.77 52.34 58.06 -0.82 53.12 56.99 -2.15 51.42 56.73 -1.03 50.41 2 0 26.25-999 ?-999 ?-999 ? N7 ADN A 501 mPRO~A 163 59.28 -2.50 52.26 59.25 -3.26 51.60 61.08 -0.88 52.66 61.12 -0.58 51.47 60.44 -2.19 53.10 61.35 -3.40 52.88 3 0 23.88-999 ?-999 ?-999 ? N6 ADN A 501 mVAL^A 164 61.57 -0.10 53.62 61.47 -0.47 54.54 63.44 1.45 54.11 63.74 0.77 55.09 62.19 1.18 53.30 61.20 2.35 53.54 3 0 25.75-999 ?-999 ?-999 ? N6 ADN A 501 mVAL^A 165 64.19 2.47 53.68 63.84 2.91 52.85 65.09 4.11 55.19 64.85 5.19 54.64 65.40 2.88 54.36 66.53 3.25 53.38 3 0 25.90-999 ?-999 ?-999 ? N6 ADN A 501 mGLU~A 166 65.09 3.95 56.51 65.27 3.02 56.81 65.83 5.08 58.56 65.91 4.13 59.33 64.83 5.07 57.41 63.39 5.04 57.94 2 0 28.31-999 ?-999 ?-999 ? N6 ADN A 501 mASN~A 167 66.59 6.16 58.66 66.44 6.85 57.95 68.70 5.27 59.66 68.85 4.45 60.56 67.57 6.30 59.73 66.89 6.21 61.10 2 0 29.00-999 ?-999 ?-999 ? N6 ADN A 501 mGLU~A 168 69.48 5.31 58.58 69.22 6.01 57.92 70.25 2.92 58.49 71.13 2.06 58.51 70.61 4.40 58.41 71.68 4.71 59.45 2 0 26.33-999 ?-999 ?-999 ? N6 ADN A 501 mLYS^A 169 68.96 2.61 58.55 68.33 3.39 58.53 67.37 0.89 57.69 66.69 1.77 57.18 68.53 1.22 58.63 68.12 0.86 60.06 2 0 23.72-999 ?-999 ?-999 ? N6 ADN A 501 mVAL^A 170 67.18 -0.40 57.47 67.82 -1.01 57.93 65.33 -1.92 57.39 65.92 -2.86 57.93 66.11 -0.87 56.61 66.65 -1.50 55.32 3 0 22.27-999 ?-999 ?-999 ? N6 ADN A 501 mILE^A 171 64.02 -1.75 57.46 63.67 -0.93 57.02 62.45 -3.53 57.10 62.01 -2.99 56.08 63.19 -2.72 58.15 62.16 -2.03 59.09 3 0 22.19-999 ?-999 ?-999 ? N6 ADN A 501 mGLY^A 172 62.34 -4.83 57.33 62.75 -5.14 58.19 61.13 -6.93 57.07 60.99 -6.96 58.29 61.65 -5.68 56.38-999.99-999.99-999.99 1 0 20.45-999 ?-999 ?-999 ? N6 ADN A 501 mGLU^A 173 60.86 -7.95 56.27 61.05 -7.78 55.30 61.02 -10.40 56.15 61.51 -10.33 55.02 60.34 -9.20 56.78 58.84 -9.29 56.51 2 0 18.94-999 ?-999 ?-999 ? N6 ADN A 501 mVAL^A 174 61.05 -11.51 56.88 60.65 -11.41 57.79 60.60 -13.31 55.38 59.47 -13.64 55.75 61.62 -12.74 56.37 61.84 -13.76 57.50 3 0 15.77-999 ?-999 ?-999 ? N6 ADN A 501 mALA^A 175 60.99 -13.43 54.11 61.93 -13.13 53.95 60.21 -15.46 52.89 59.20 -16.15 52.73 60.10 -13.94 53.08 60.38 -13.25 51.75 2 0 16.10-999 ?-999 ?-999 ? N7 ADN A 501 mILE^A 176 61.43 -15.97 52.92 62.16 -15.30 53.08 62.88 -17.96 53.44 63.99 -17.43 53.32 61.66 -17.39 52.71 61.88 -17.71 51.20 3 0 13.11-999 ?-999 ?-999 ? N7 ADN A 501 mVAL^A 177 62.66 -19.05 54.17 61.70 -19.33 54.21 63.93 -21.01 53.99 63.01 -21.82 53.90 63.75 -19.75 54.84 63.37 -20.18 56.28 3 0 10.82-999 ?-999 ?-999 ? N7 ADN A 501 mASP~A 178 65.09 -21.17 53.36 65.76 -20.45 53.51 65.82 -23.55 53.32 65.97 -23.47 54.53 65.30 -22.35 52.52 66.25 -22.03 51.35 2 0 8.49-999 ?-999 ?-999 ? N7 ADN A 501 mTHR~A 179 66.09 -24.65 52.64 65.96 -24.58 51.65 67.86 -25.76 54.08 68.12 -26.55 54.97 66.54 -25.86 53.32 66.64 -27.04 52.35 2 0 8.19-999 ?-999 ?-999 ? N7 ADN A 501 mPHE~A 180 68.70 -24.80 53.71 68.38 -24.23 52.95 69.78 -23.76 55.62 70.67 -23.62 56.47 69.99 -24.62 54.38 70.98 -23.92 53.45 3 0 -5.19-999 ?-999 ?-999 ? N7 ADN A 501s mGLY~A 181 68.59 -23.17 55.72 67.94 -23.37 54.98 68.59 -20.86 56.52 68.46 -19.98 57.38 68.29 -22.31 56.85-999.99-999.99-999.99 1 0 6.97-999 ?-999 ?-999 ? N6 ADN A 501 mASN~A 182 69.00 -20.60 55.28 69.09 -21.40 54.69 68.01 -18.41 55.03 66.91 -18.91 54.82 69.28 -19.24 54.84 69.71 -19.21 53.37 2 0 -5.83-999 ?-999 ?-999 ? N6 ADN A 501s mVAL^A 183 68.17 -17.16 55.43 69.12 -16.87 55.52 66.92 -15.15 54.69 67.56 -14.11 54.84 67.03 -16.30 55.69 67.12 -15.74 57.14 3 0 9.27-999 ?-999 ?-999 ? N6 ADN A 501 mSER^A 184 66.09 -15.36 53.67 65.64 -16.25 53.67 64.79 -13.38 53.03 63.72 -13.79 53.49 65.90 -14.34 52.64 65.57 -14.98 51.29 2 0 11.27-999 ?-999 ?-999 ? N7 ADN A 501 mTHR^A 185 65.04 -12.09 52.85 65.94 -11.89 52.46 63.35 -10.53 51.96 63.59 -11.00 50.84 64.06 -11.06 53.20 64.74 -9.86 53.88 2 0 14.82-999 ?-999 ?-999 ? N6 ADN A 501 mASN^A 186 62.49 -9.54 52.16 62.40 -9.28 53.12 62.47 -7.59 50.77 61.95 -6.73 50.05 61.77 -8.91 51.07 60.32 -8.64 51.49 2 0 18.02-999 ?-999 ?-999 ? N7 ADN A 501 mILE^A 187 63.67 -7.45 51.32 63.96 -8.24 51.87 65.44 -6.36 49.97 66.38 -7.15 50.01 64.49 -6.24 51.15 65.34 -5.97 52.40 3 0 18.48-999 ?-999 ?-999 ? N6 ADN A 501 mPRO^A 188 65.20 -5.59 48.89 64.41 -4.99 48.96 67.50 -5.26 48.14 67.68 -4.30 48.89 66.08 -5.65 47.72 65.47 -4.61 46.76 3 0 18.79-999 ?-999 ?-999 ? N7 ADN A 501 mPHE~A 189 68.49 -6.01 47.67 68.21 -6.75 47.06 70.30 -4.33 47.59 71.20 -3.74 48.18 69.87 -5.73 48.04 70.82 -6.78 47.46 3 0 17.45-999 ?-999 ?-999 ? N7 ADN A 501 mASP~A 190 69.66 -3.80 46.55 68.96 -4.40 46.15 69.58 -1.43 47.11 70.30 -0.46 47.35 69.97 -2.45 46.06 69.19 -2.13 44.79 2 0 20.74-999 ?-999 ?-999 ? O5' ADN A 501 mLEU~A 191 68.42 -1.64 47.73 67.94 -2.46 47.43 68.89 -0.73 49.94 69.20 0.32 50.50 67.93 -0.73 48.76 66.54 -1.17 49.24 3 0 22.36-999 ?-999 ?-999 ? N6 ADN A 501 mPHE~A 192 69.36 -1.92 50.32 69.01 -2.69 49.79 71.55 -1.26 51.08 72.07 -0.52 51.92 70.29 -2.05 51.42 70.63 -3.52 51.65 3 0 19.96-999 ?-999 ?-999 ? N6 ADN A 501 mLEU~A 193 72.03 -1.42 49.85 71.51 -2.04 49.28 73.07 0.81 49.40 73.92 1.52 48.87 73.23 -0.72 49.41 73.64 -1.20 48.02 3 0 21.21-999 ?-999 ?-999 ? N6 ADN A 501 mLYS~A 194 71.97 1.29 49.97 71.34 0.60 50.32 72.28 3.25 51.37 72.55 4.44 51.52 71.74 2.73 50.05 70.24 3.06 49.95 2 0 24.58-999 ?-999 ?-999 ? N6 ADN A 501 mLEU~A 195 72.44 2.35 52.34 72.17 1.42 52.10 74.48 2.99 53.48 75.21 3.08 54.46 72.99 2.73 53.64 72.77 1.62 54.67 3 0 24.09-999 ?-999 ?-999 ? N6 ADN A 501 mSER~A 196 74.90 3.10 52.22 74.18 3.00 51.54 77.25 2.32 52.49 78.27 2.66 53.07 76.30 3.35 51.88 76.71 4.76 52.30 2 0 24.80-999 ?-999 ?-999 ? N6 ADN A 501 mVAL~A 197 76.89 1.05 52.36 76.02 0.90 51.89 78.36 -0.72 51.67 77.96 -0.50 50.52 77.73 -0.03 52.86 76.91 -1.05 53.68 3 0 21.52-999 ?-999 ?-999 ? N6 ADN A 501 mASP~A 198 79.34 -1.57 51.93 79.56 -1.67 52.90 80.52 -3.62 51.39 80.57 -3.84 52.60 80.04 -2.27 50.87 81.22 -1.42 50.40 2 0 20.05-999 ?-999 ?-999 ? N6 ADN A 501 mPHE~A 199 80.84 -4.52 50.47 80.72 -4.22 49.52 82.53 -5.66 51.75 83.36 -4.77 51.52 81.32 -5.84 50.85 81.69 -6.64 49.60 3 0 17.04-999 ?-999 ?-999 ? N1 ADN A 501 mASP~A 200 82.61 -6.50 52.78 81.86 -7.16 52.81 83.30 -5.56 54.96 83.98 -5.55 55.97 83.68 -6.47 53.78 85.02 -6.02 53.17 2 0 17.00-999 ?-999 ?-999 ? N1 ADN A 501 mASP~A 201 82.22 -4.79 54.81 81.78 -4.86 53.91 80.98 -4.81 56.86 80.58 -5.92 56.51 81.76 -3.93 55.89 80.81 -2.84 55.38 2 0 18.79-999 ?-999 ?-999 ? N6 ADN A 501 mVAL^A 202 80.76 -4.32 58.08 81.15 -3.41 58.24 78.75 -4.28 59.44 78.80 -3.06 59.65 80.00 -5.06 59.07 80.82 -5.32 60.35 3 0 17.70-999 ?-999 ?-999 ? N6 ADN A 501 mVAL^A 203 77.61 -4.96 59.51 77.69 -5.94 59.29 75.74 -5.01 61.05 76.26 -6.00 61.56 76.37 -4.29 59.88 75.35 -4.26 58.72 3 0 17.94-999 ?-999 ?-999 ? N6 ADN A 501 mARG^A 204 74.60 -4.49 61.50 74.29 -3.67 61.01 72.54 -5.64 62.13 71.84 -5.03 61.33 73.89 -5.09 62.61 73.69 -4.05 63.72 2 0 18.19-999 ?-999 ?-999 ? N6 ADN A 501 mVAL^A 205 72.21 -6.82 62.63 72.89 -7.22 63.25 70.15 -7.55 63.57 70.59 -8.11 64.57 70.96 -7.47 62.29 71.20 -8.90 61.76 3 0 16.36-999 ?-999 ?-999 ? N6 ADN A 501 mARG^A 206 68.95 -6.98 63.54 68.72 -6.55 62.67 66.84 -7.83 64.47 66.07 -7.59 63.54 68.09 -6.99 64.70 67.69 -5.56 65.07 2 0 18.85-999 ?-999 ?-999 ? N6 ADN A 501 mVAL^A 207 66.66 -8.83 65.31 67.38 -8.93 66.00 64.96 -9.80 66.65 65.68 -10.19 67.57 65.49 -9.70 65.23 65.86 -11.11 64.70 3 0 18.37-999 ?-999 ?-999 ? N6 ADN A 501 mGLY~A 208 63.69 -9.44 66.83 63.21 -9.15 66.00 63.88 -8.55 69.07 64.05 -7.37 68.76 63.11 -9.48 68.15-999.99-999.99-999.99 1 0 21.55-999 ?-999 ?-999 ? N6 ADN A 501 mARG~A 209 64.34 -9.08 70.19 64.12 -10.04 70.31 66.60 -8.56 70.94 67.46 -8.03 71.65 65.11 -8.30 71.16 64.73 -8.70 72.59 2 0 23.31-999 ?-999 ?-999 ? N6 ADN A 501 mLYS^A 210 66.89 -9.40 69.95 66.09 -9.73 69.45 68.94 -8.88 68.63 68.30 -8.30 67.75 68.26 -9.78 69.64 68.29 -11.21 69.09 2 0 20.19-999 ?-999 ?-999 ? N6 ADN A 501 mGLU^A 211 70.26 -8.77 68.76 70.63 -9.28 69.54 72.33 -8.80 67.57 72.93 -9.36 68.48 71.07 -8.00 67.84 71.42 -6.62 68.43 2 0 19.28-999 ?-999 ?-999 ? N6 ADN A 501 mPHE^A 212 72.72 -8.86 66.29 72.12 -8.37 65.67 74.71 -8.71 64.93 74.17 -7.80 64.31 73.91 -9.60 65.86 73.54 -10.83 65.04 3 0 16.42-999 ?-999 ?-999 ? N6 ADN A 501 mLYS^A 213 76.01 -8.97 64.84 76.34 -9.69 65.45 77.01 -9.26 62.76 76.99 -10.47 63.00 76.84 -8.25 63.90 78.21 -7.91 64.50 2 0 16.29-999 ?-999 ?-999 ? N6 ADN A 501 mALA^A 214 77.14 -8.77 61.53 77.11 -7.77 61.48 78.06 -8.93 59.29 77.82 -7.75 59.05 77.30 -9.66 60.39 75.95 -10.10 59.87 2 0 13.35-999 ?-999 ?-999 ? N6 ADN A 501 mALA^A 215 78.97 -9.65 58.65 79.06 -10.59 58.97 78.93 -9.08 56.28 78.11 -9.98 56.06 79.75 -9.09 57.56 81.02 -9.90 57.34 2 0 13.58-999 ?-999 ?-999 ? N6 ADN A 501 mVAL^A 216 79.15 -8.06 55.46 79.80 -7.38 55.80 79.45 -8.73 53.28 80.62 -8.34 53.13 78.48 -7.97 54.18 78.34 -6.51 53.72 3 0 13.84-999 ?-999 ?-999 ? N6 ADN A 501 mALA~A 217 78.98 -9.83 52.70 78.02 -10.03 52.89 79.19 -11.10 50.55 78.00 -10.94 50.35 79.84 -10.65 51.86 80.31 -11.86 52.65 2 0 11.91-999 ?-999 ?-999 ? N1 ADN A 501 mLYS~A 218 80.00 -11.67 49.66 80.96 -11.73 49.96 79.23 -13.65 48.44 78.16 -14.11 48.04 79.52 -12.16 48.37 80.57 -11.90 47.29 2 0 11.49-999 ?-999 ?-999 ? C2 ADN A 501 mALA~A 219 80.18 -14.41 48.96 81.00 -13.91 49.26 80.03 -16.29 50.54 80.63 -15.63 51.39 80.04 -15.86 49.08 81.19 -16.55 48.33 2 0 8.05-999 ?-999 ?-999 ? C2 ADN A 501 mPHE~A 220 79.35 -17.39 50.83 78.91 -17.82 50.05 80.71 -18.10 52.72 81.03 -17.76 53.86 79.29 -17.90 52.20 78.56 -19.25 52.23 3 0 -5.01-999 ?-999 ?-999 ? N1 ADN A 501s mGLY~A 221 81.55 -18.65 51.85 81.15 -18.86 50.95 83.76 -17.69 52.50 84.91 -17.83 52.91 82.93 -18.92 52.20-999.99-999.99-999.99 1 0 6.46-999 ?-999 ?-999 ? C2 ADN A 501 mASP~A 222 83.20 -16.50 52.31 82.26 -16.54 51.97 84.12 -14.98 54.06 84.82 -14.04 54.43 83.93 -15.26 52.57 83.22 -14.06 51.92 2 0 9.67-999 ?-999 ?-999 ? C2 ADN A 501 mVAL~A 223 83.49 -15.77 54.92 82.92 -16.48 54.49 83.98 -16.97 56.96 83.86 -17.99 56.29 83.63 -15.61 56.36 82.32 -15.12 57.01 3 0 9.73-999 ?-999 ?-999 ? N1 ADN A 501 mASP~A 224 84.42 -16.99 58.21 84.48 -16.10 58.66 83.51 -19.11 58.97 82.39 -18.59 58.99 84.77 -18.26 58.84 85.39 -18.03 60.23 2 0 10.20-999 ?-999 ?-999 ? N1 ADN A 501 mTHR~A 225 83.70 -20.42 59.04 84.66 -20.72 59.01 81.81 -21.02 60.45 82.40 -20.76 61.49 82.58 -21.34 59.17 83.05 -22.80 59.21 2 0 7.99-999 ?-999 ?-999 ? N1 ADN A 501 mGLY~A 226 80.48 -21.02 60.35 80.12 -21.23 59.45 79.36 -19.26 61.69 78.51 -18.90 62.51 79.66 -20.74 61.51-999.99-999.99-999.99 1 0 8.46-999 ?-999 ?-999 ? N1 ADN A 501 mGLU~A 227 80.03 -18.41 60.93 80.69 -18.83 60.32 78.61 -16.50 60.19 78.23 -17.13 59.19 79.81 -16.97 61.02 81.05 -16.20 60.56 2 0 9.42-999 ?-999 ?-999 ? N6 ADN A 501 mLEU^A 228 78.02 -15.39 60.62 78.43 -14.99 61.44 77.32 -13.88 58.82 78.39 -13.29 58.88 76.87 -14.81 59.93 76.00 -14.02 60.91 3 0 8.80-999 ?-999 ?-999 ? N6 ADN A 501 mLEU^A 229 76.47 -13.73 57.81 75.64 -14.28 57.87 75.50 -12.31 56.09 74.44 -12.93 56.19 76.78 -12.83 56.71 77.60 -13.53 55.63 3 0 9.01-999 ?-999 ?-999 ? N6 ADN A 501 mVAL^A 230 75.61 -11.14 55.47 76.52 -10.73 55.53 74.95 -10.48 53.32 76.07 -10.07 53.03 74.49 -10.53 54.77 74.20 -9.10 55.29 3 0 10.76-999 ?-999 ?-999 ? N6 ADN A 501 mHIS^A 231 74.08 -10.92 52.41 73.20 -11.22 52.76 73.22 -10.93 50.11 72.09 -11.14 50.57 74.45 -10.92 51.00 75.30 -12.16 50.69 3 0 10.90-999 ?-999 ?-999 ? N6 ADN A 501 mPRO^A 232 73.42 -10.68 48.81 74.37 -10.50 48.55 72.04 -12.14 47.47 72.96 -12.82 47.04 72.29 -10.69 47.89 72.79 -9.85 46.72 3 0 12.34-999 ?-999 ?-999 ? N7 ADN A 501 mASP~A 233 70.82 -12.64 47.63 70.15 -12.03 48.05 70.44 -14.05 45.67 70.54 -13.01 45.00 70.56 -14.01 47.21 69.30 -14.59 47.88 2 0 9.83-999 ?-999 ?-999 ? O5' ADN A 501 mSER~A 234 70.21 -15.24 45.12 70.09 -15.99 45.77 69.08 -14.54 42.95 69.16 -14.37 41.74 70.13 -15.38 43.67 69.97 -16.86 43.29 2 0 8.69-999 ?-999 ?-999 ? O5' ADN A 501 mALA~A 235 68.09 -14.03 43.68 68.14 -14.26 44.66 67.22 -11.69 43.36 66.34 -10.89 43.02 67.04 -13.20 43.09 65.66 -13.65 43.60 2 0 12.33-999 ?-999 ?-999 ? O5' ADN A 501 mGLY~A 236 68.33 -11.31 43.98 68.96 -12.05 44.23 68.08 -9.41 45.59 68.14 -8.21 45.88 68.58 -9.91 44.24-999.99-999.99-999.99 1 0 14.15-999 ?-999 ?-999 ? O5' ADN A 501 mPHE^A 237 67.60 -10.33 46.42 67.61 -11.26 46.06 68.15 -10.18 48.84 68.94 -11.13 48.80 67.11 -9.97 47.74 65.85 -10.79 48.08 3 0 14.58-999 ?-999 ?-999 ? N7 ADN A 501 mLEU^A 238 68.16 -9.27 49.81 67.48 -8.54 49.70 68.78 -10.61 51.72 67.65 -10.83 52.15 69.08 -9.35 50.92 68.97 -8.12 51.84 3 0 13.64-999 ?-999 ?-999 ? N6 ADN A 501 mGLU^A 239 69.80 -11.43 51.91 70.66 -11.12 51.50 70.71 -12.76 53.73 71.84 -12.30 53.55 69.65 -12.66 52.65 69.76 -13.86 51.69 2 0 10.15-999 ?-999 ?-999 ? N6 ADN A 501 mILE^A 240 70.33 -13.36 54.86 69.37 -13.65 54.88 71.51 -15.05 56.05 70.58 -15.85 56.02 71.24 -13.55 55.98 70.63 -13.13 57.34 3 0 8.63-999 ?-999 ?-999 ? N6 ADN A 501 mALA^A 241 72.79 -15.43 56.12 73.45 -14.68 56.12 74.28 -17.07 57.19 74.97 -16.14 57.63 73.14 -16.83 56.21 73.55 -17.37 54.82 2 0 5.07-999 ?-999 ?-999 ? N6 ADN A 501 mVAL^A 242 74.45 -18.34 57.54 73.77 -18.96 57.15 76.35 -19.66 57.47 75.83 -20.61 56.87 75.53 -18.78 58.40 75.00 -19.63 59.57 3 0 -4.82-999 ?-999 ?-999 ? N6 ADN A 501s mASN~A 243 77.62 -19.34 57.31 77.93 -18.54 57.83 78.54 -21.56 56.96 79.07 -21.80 58.05 78.46 -20.13 56.43 79.86 -19.50 56.32 2 0 -3.74-999 ?-999 ?-999 ? N1 ADN A 501s mLEU~A 244 78.00 -22.50 56.19 77.60 -22.16 55.34 77.16 -24.09 57.85 77.44 -24.97 58.66 78.00 -23.90 56.60 79.43 -24.39 56.83 3 0 -3.67-999 ?-999 ?-999 ? N1 ADN A 501s mGLY~A 245 76.13 -23.26 58.00 76.02 -22.60 57.26 73.84 -22.92 58.80 73.55 -22.62 57.65 75.26 -23.35 59.15-999.99-999.99-999.99 1 0 5.24-999 ?-999 ?-999 ? N6 ADN A 501 mASP~A 246 72.98 -22.88 59.81 73.39 -23.11 60.69 71.24 -21.19 60.30 71.14 -21.10 61.53 71.57 -22.53 59.63 70.73 -23.64 60.26 2 0 6.27-999 ?-999 ?-999 ? N6 ADN A 501 mALA~A 247 71.07 -20.15 59.49 71.16 -20.36 58.52 69.42 -18.74 60.72 69.26 -18.02 61.70 70.77 -18.82 60.02 70.84 -17.78 58.90 2 0 7.33-999 ?-999 ?-999 ? N6 ADN A 501 mSER~A 248 68.43 -19.48 60.21 68.67 -20.04 59.41 67.20 -19.92 62.27 66.49 -19.40 63.13 67.11 -19.45 60.82 66.11 -20.31 60.02 2 0 10.15-999 ?-999 ?-999 ? N6 ADN A 501 mGLN~A 249 68.09 -20.87 62.54 68.60 -21.20 61.75 69.07 -20.40 64.77 68.69 -20.12 65.90 68.28 -21.39 63.90 69.04 -22.72 63.88 2 0 11.51-999 ?-999 ?-999 ? N6 ADN A 501 mVAL~A 250 70.18 -19.90 64.23 70.37 -20.21 63.31 70.24 -17.69 65.32 70.32 -17.18 66.43 71.01 -18.95 64.97 72.28 -18.59 64.17 3 0 11.48-999 ?-999 ?-999 ? N6 ADN A 501 mLEU~A 251 69.47 -17.18 64.36 69.49 -17.68 63.49 67.39 -16.34 65.31 66.78 -15.49 65.96 68.68 -15.98 64.59 68.34 -15.31 63.26 3 0 13.01-999 ?-999 ?-999 ? N6 ADN A 501 mSER~A 252 67.00 -17.61 65.20 67.62 -18.19 64.68 64.62 -17.28 65.21 63.85 -16.62 65.92 65.76 -18.10 65.79 65.79 -17.95 67.31 2 0 14.88-999 ?-999 ?-999 ? N6 ADN A 501 mVAL~A 253 64.50 -17.32 63.88 65.16 -17.91 63.42 62.71 -17.42 62.21 63.18 -18.48 61.78 63.49 -16.55 63.19 64.16 -15.37 62.44 3 0 15.06-999 ?-999 ?-999 ? N6 ADN A 501 mLYS~A 254 61.50 -16.99 61.86 61.23 -16.13 62.30 60.10 -16.76 59.88 60.18 -15.55 60.03 60.66 -17.72 60.92 59.52 -18.43 61.65 2 0 15.92-999 ?-999 ?-999 ? N6 ADN A 501 mGLU~A 255 59.54 -17.32 58.82 59.55 -18.32 58.81 57.91 -15.59 58.34 57.11 -16.00 59.18 58.98 -16.51 57.76 58.40 -17.42 56.67 2 0 16.80-999 ?-999 ?-999 ? N6 ADN A 501 mGLY~A 256 57.90 -14.34 57.89 58.61 -14.12 57.22 57.46 -12.52 59.51 56.92 -11.44 59.76 56.92 -13.39 58.38-999.99-999.99-999.99 1 0 19.89-999 ?-999 ?-999 ? N6 ADN A 501 mASP~A 257 58.50 -12.98 60.19 58.84 -13.87 59.89 59.70 -10.93 60.75 60.31 -10.91 59.68 59.09 -12.21 61.28 60.19 -13.00 62.00 2 0 19.36-999 ?-999 ?-999 ? N6 ADN A 501 mGLU^A 258 59.56 -9.85 61.51 59.04 -9.99 62.35 61.64 -8.62 61.29 62.13 -9.15 62.29 60.13 -8.57 61.09 59.52 -7.43 61.90 2 0 20.49-999 ?-999 ?-999 ? N6 ADN A 501 mILE^A 259 62.37 -8.07 60.34 61.85 -7.70 59.57 64.32 -6.63 60.17 63.79 -5.92 59.31 63.83 -8.04 60.43 64.50 -8.99 59.42 3 0 18.20-999 ?-999 ?-999 ? N6 ADN A 501 mGLU^A 260 65.35 -6.24 60.91 65.69 -6.93 61.55 67.43 -4.97 60.54 68.16 -5.61 61.30 65.93 -4.91 60.78 65.63 -4.10 62.04 2 0 19.67-999 ?-999 ?-999 ? N6 ADN A 501 mILE^A 261 67.89 -4.30 59.49 67.18 -3.85 58.95 69.78 -2.83 59.47 69.31 -1.87 58.84 69.32 -4.25 59.16 69.58 -4.55 57.67 3 0 18.50-999 ?-999 ?-999 ? N6 ADN A 501 mCYH^A 262 70.69 -2.68 60.43 70.99 -3.54 60.84 72.68 -1.19 60.51 73.48 -2.09 60.76 71.19 -1.36 60.82 70.96 -1.15 62.32 2 0 21.24-999 ?-999 ?-999 ? N6 ADN A 501 mARG~A 263 73.04 -0.03 59.98 72.29 0.62 59.84 75.37 0.02 60.81 74.95 0.27 61.97 74.43 0.25 59.63 74.56 1.69 59.15 2 0 22.17-999 ?-999 ?-999 ? N6 ADN A 501 mMETB 1 10.62 -4.40 6.49 11.09 -4.33 5.60 10.89 -4.09 8.91 12.06 -4.46 8.90 9.93 -4.51 7.80 9.46 -5.94 8.03 2 0 21.06-999 ?-999 ?-999 ? O3' ADN B 502 mILE^B 2 10.39 -3.31 9.86 9.42 -3.09 9.75 10.76 -3.33 12.33 9.57 -3.30 12.66 11.22 -2.83 10.96 11.25 -1.29 10.99 3 0 17.26-999 ?-999 ?-999 ? O3' ADN B 502 mGLY^B 3 11.72 -3.81 13.12 12.64 -3.82 12.72 11.76 -3.13 15.40 12.93 -2.80 15.56 11.41 -4.28 14.46-999.99-999.99-999.99 1 0 15.22-999 ?-999 ?-999 ? O3' ADN B 502 mPHE^B 4 10.74 -2.52 16.01 9.85 -2.91 15.80 10.94 -1.79 18.38 10.00 -2.43 18.86 10.94 -1.38 16.90 9.85 -0.34 16.64 3 0 11.96-999 ?-999 ?-999 ? O3' ADN B 502 mLEU^B 5 11.99 -1.41 19.11 12.68 -0.88 18.61 12.73 -0.64 21.35 13.84 -0.19 21.06 12.10 -1.76 20.52 12.94 -3.04 20.67 3 0 9.40-999 ?-999 ?-999 ? O3' ADN B 502 mTHR^B 6 12.02 -0.20 22.39 11.13 -0.65 22.51 12.06 0.71 24.70 11.31 -0.21 25.05 12.53 0.86 23.26 12.06 2.27 22.81 2 0 6.05-999 ?-999 ?-999 ? O3' ADN B 502 mASP~B 7 12.51 1.64 25.54 13.12 2.30 25.10 11.43 3.04 27.12 11.39 3.60 28.21 12.15 1.70 26.94 13.41 1.68 27.81 2 0 -5.54-999 ?-999 ?-999 ? O3' ADN B 502s mTRP~B 8 10.87 3.54 26.02 10.98 2.96 25.21 8.78 4.77 26.63 8.34 5.74 27.25 10.17 4.82 26.02 10.04 5.36 24.59 3 0 -5.92-999 ?-999 ?-999 ? C3' ADN B 502s mGLY~B 9 8.08 3.66 26.44 8.55 2.94 25.93 5.74 4.01 25.90 6.12 4.74 24.98 6.73 3.55 26.96-999.99-999.99-999.99 1 0 9.62-999 ?-999 ?-999 ? C3' ADN B 502 mLEU~B 10 4.49 3.60 26.01 4.31 3.01 26.80 2.60 5.12 25.58 1.62 5.51 24.96 3.47 3.99 25.05 2.58 2.80 24.69 3 0 12.69-999 ?-999 ?-999 ? C3' ADN B 502 mLYS~B 11 2.97 5.63 26.75 3.78 5.20 27.16 2.69 8.04 26.78 1.89 8.94 26.55 2.22 6.71 27.37 2.43 6.70 28.89 2 0 13.73-999 ?-999 ?-999 ? C8 ADN B 502 mSER~B 12 4.00 8.15 26.54 4.53 7.34 26.78 4.36 9.42 24.46 4.01 8.42 23.84 4.56 9.37 25.98 6.05 9.47 26.30 2 0 11.51-999 ?-999 ?-999 ? C8 ADN B 502 mHIS~B 13 4.59 10.59 23.88 4.86 11.32 24.51 5.72 10.40 21.72 5.82 10.55 20.50 4.43 10.77 22.44 4.06 12.22 22.13 3 0 11.95-999 ?-999 ?-999 ? C5' ADN B 502 mTYR~B 14 6.71 9.93 22.47 6.49 9.84 23.44 7.88 8.54 20.75 8.41 8.76 19.67 7.99 9.56 21.89 8.94 9.03 22.97 3 0 8.43-999 ?-999 ?-999 ? C5' ADN B 502 mVAL~B 15 7.18 7.43 21.00 6.79 7.38 21.92 6.33 6.94 18.73 6.79 6.73 17.61 7.02 6.40 19.98 6.21 5.20 20.53 3 0 10.06-999 ?-999 ?-999 ? C5' ADN B 502 mGLY~B 16 5.23 7.66 18.93 4.97 7.76 19.89 5.32 9.09 16.88 5.34 8.84 15.68 4.49 8.23 17.82-999.99-999.99-999.99 1 0 13.15-999 ?-999 ?-999 ? C5' ADN B 502 mVAL~B 17 6.00 10.10 17.42 5.90 10.18 18.41 7.88 10.24 15.83 8.09 10.48 14.64 6.81 10.99 16.60 7.49 12.08 17.46 3 0 12.27-999 ?-999 ?-999 ? C5' ADN B 502 mALA~B 18 8.57 9.32 16.50 8.31 9.23 17.46 9.01 7.82 14.64 9.62 7.79 13.57 9.60 8.53 15.86 10.17 7.51 16.84 2 0 10.56-999 ?-999 ?-999 ? C5' ADN B 502 mLYS~B 19 7.83 7.24 14.80 7.44 7.33 15.72 6.84 7.50 12.58 6.94 7.16 11.41 7.17 6.53 13.71 5.89 5.85 14.20 2 0 13.84-999 ?-999 ?-999 ? C5' ADN B 502 mALA~B 20 6.42 8.71 12.95 6.37 8.85 13.94 7.29 9.94 11.07 7.18 9.87 9.85 6.08 9.73 11.98 5.72 11.03 12.68 2 0 15.86-999 ?-999 ?-999 ? C5' ADN B 502 mVAL~B 21 8.44 10.20 11.69 8.38 10.22 12.69 9.93 9.29 9.97 10.21 9.53 8.80 9.68 10.42 10.96 10.88 10.53 11.92 3 0 14.68-999 ?-999 ?-999 ? O5' ADN B 502 mILE~B 22 9.82 8.06 10.45 9.59 8.00 11.42 9.06 6.93 8.43 9.45 6.72 7.28 10.03 6.90 9.60 9.84 5.59 10.39 3 0 15.85-999 ?-999 ?-999 ? O5' ADN B 502 mLYS~B 23 7.80 7.21 8.72 7.62 7.38 9.70 6.99 8.40 6.70 6.63 8.28 5.53 6.77 7.27 7.70 5.39 7.42 8.35 2 0 18.98-999 ?-999 ?-999 ? C5' ADN B 502 mARG~B 24 7.59 9.50 7.17 7.82 9.47 8.14 8.93 10.20 5.29 8.80 10.45 4.09 7.87 10.64 6.30 8.38 11.83 7.11 2 0 19.65-999 ?-999 ?-999 ? O5' ADN B 502 mILE~B 25 9.97 9.54 5.79 9.94 9.41 6.78 10.56 7.96 4.00 10.82 8.00 2.80 11.05 9.06 4.94 12.21 8.49 5.78 3 0 19.68-999 ?-999 ?-999 ? O5' ADN B 502 mASN~B 26 9.86 6.98 4.56 9.72 7.07 5.55 7.91 5.54 4.16 7.66 4.71 5.03 9.35 5.86 3.77 10.24 4.64 3.96 2 0 21.59-999 ?-999 ?-999 ? O5' ADN B 502 mPRO~B 27 6.94 6.20 3.50 7.29 6.85 2.82 5.07 4.56 3.60 3.95 4.20 3.96 5.51 6.01 3.75 4.86 6.93 2.72 3 0 23.14-999 ?-999 ?-999 ? C5' ADN B 502 mSER~B 28 5.96 3.73 3.06 6.83 4.15 2.82 6.29 1.42 3.90 6.04 0.22 3.93 5.65 2.32 2.84 6.11 1.89 1.45 2 0 24.50-999 ?-999 ?-999 ? C5' ADN B 502 mALA~B 29 7.11 2.01 4.75 7.23 2.99 4.61 6.75 0.55 6.70 5.71 1.12 7.03 7.78 1.26 5.81 8.65 2.19 6.64 2 0 21.35-999 ?-999 ?-999 ? C5' ADN B 502 mGLU~B 30 7.05 -0.69 7.07 7.93 -1.02 6.72 6.82 -1.59 9.31 7.73 -2.39 9.52 6.18 -1.48 7.93 5.99 -2.88 7.32 2 0 21.25-999 ?-999 ?-999 ? O3' ADN B 502 mILE^B 31 6.34 -0.78 10.25 5.59 -0.19 9.94 6.15 -1.72 12.54 4.95 -1.58 12.79 6.88 -0.76 11.61 6.78 0.66 12.22 3 0 17.72-999 ?-999 ?-999 ? O3' ADN B 502 mILE^B 32 6.88 -2.71 13.05 7.84 -2.71 12.75 6.93 -3.51 15.35 8.12 -3.75 15.56 6.31 -3.68 13.97 6.57 -5.14 13.51 3 0 17.54-999 ?-999 ?-999 ? O3' ADN B 502 mASP^B 33 6.10 -3.07 16.30 5.16 -2.91 16.00 6.85 -4.18 18.35 5.95 -5.01 18.51 6.57 -2.86 17.66 5.54 -2.09 18.48 2 0 14.76-999 ?-999 ?-999 ? O3' ADN B 502 mILE^B 34 8.10 -4.38 18.75 8.74 -3.65 18.52 7.93 -5.36 20.85 7.28 -6.22 21.44 8.46 -5.59 19.45 9.99 -5.78 19.48 3 0 14.52-999 ?-999 ?-999 ? O3' ADN B 502 mTHR^B 35 8.20 -4.15 21.36 8.74 -3.59 20.74 8.42 -2.38 23.00 9.55 -2.12 22.58 7.74 -3.70 22.67 8.06 -4.70 23.80 2 0 12.55-999 ?-999 ?-999 ? O3' ADN B 502 mHIS~B 36 7.72 -1.55 23.77 6.82 -1.89 24.03 8.18 -0.15 25.69 8.38 0.93 26.25 8.24 -0.26 24.17 7.41 0.86 23.53 3 0 9.73-999 ?-999 ?-999 ? O3' ADN B 502 mGLU~B 37 7.93 -1.27 26.34 7.82 -2.09 25.77 8.97 -1.97 28.51 8.76 -2.66 29.51 7.82 -1.28 27.79 6.48 -1.91 28.20 2 0 10.85-999 ?-999 ?-999 ? O3' ADN B 502 mVAL~B 38 10.18 -1.80 27.99 10.20 -1.26 27.15 11.60 -1.44 29.81 11.40 -0.23 29.67 11.35 -2.38 28.63 12.57 -2.34 27.70 3 0 9.36-999 ?-999 ?-999 ? O2' ADN B 502 mGLU~B 39 12.01 -1.98 30.95 12.13 -2.97 30.94 13.26 -0.05 31.73 14.23 -0.30 31.01 12.26 -1.13 32.11 12.78 -1.95 33.29 2 0 8.80-999 ?-999 ?-999 ? O2' ADN B 502 mPRO~B 40 13.04 1.19 32.21 12.22 1.27 32.78 15.41 1.98 32.06 15.86 1.50 33.09 13.93 2.31 31.92 13.48 3.37 32.92 3 0 5.64-999 ?-999 ?-999 ? O2' ADN B 502 mPHE~B 41 16.16 2.25 30.99 15.63 2.63 30.23 18.04 0.56 31.01 19.24 0.29 31.11 17.61 2.02 30.92 18.35 2.78 32.03 3 0 -4.35-999 ?-999 ?-999 ? O2' ADN B 502s mASN~B 42 17.10 -0.38 30.97 16.17 -0.03 30.86 17.89 -2.45 29.77 17.12 -3.19 29.16 17.46 -1.79 31.08 16.29 -2.57 31.68 2 0 7.64-999 ?-999 ?-999 ? O2' ADN B 502 mVAL~B 43 19.13 -2.20 29.35 19.66 -1.61 29.95 19.77 -4.30 28.13 19.66 -4.95 27.09 19.65 -2.78 28.10 21.03 -2.20 27.73 3 0 8.44-999 ?-999 ?-999 ? O2' ADN B 502 mARG~B 44 20.01 -4.85 29.32 20.09 -4.20 30.07 18.83 -6.98 29.09 18.82 -7.94 28.33 20.14 -6.30 29.46 20.52 -6.66 30.90 2 0 12.03-999 ?-999 ?-999 ? O2' ADN B 502 mLYS~B 45 17.73 -6.47 29.64 17.90 -5.70 30.25 16.10 -6.83 27.88 15.55 -7.72 27.22 16.41 -7.02 29.36 15.36 -6.29 30.20 2 0 12.28-999 ?-999 ?-999 ? O2' ADN B 502 mALA~B 46 16.47 -5.67 27.36 16.91 -5.04 28.00 16.99 -6.32 25.05 16.46 -6.79 24.05 16.23 -5.36 25.96 16.64 -3.92 25.67 2 0 10.45-999 ?-999 ?-999 ? O3' ADN B 502 mSER~B 47 18.24 -6.63 25.41 18.55 -6.20 26.26 18.44 -8.92 24.48 18.55 -9.55 23.43 19.06 -7.53 24.60 20.48 -7.63 25.17 2 0 12.93-999 ?-999 ?-999 ? O3' ADN B 502 mHIS~B 48 17.81 -9.40 25.54 17.80 -8.79 26.34 15.91 -10.66 24.66 15.69 -11.49 23.78 17.18 -10.71 25.51 16.83 -11.17 26.92 3 0 15.81-999 ?-999 ?-999 ? O3' ADN B 502 mVAL~B 49 15.06 -9.67 24.93 15.35 -9.06 25.67 14.13 -9.37 22.70 13.48 -10.00 21.87 13.82 -9.51 24.19 13.05 -8.26 24.67 3 0 14.84-999 ?-999 ?-999 ? O3' ADN B 502 mLEU~B 50 15.11 -8.54 22.36 15.56 -8.10 23.14 15.77 -9.65 20.26 15.16 -9.96 19.24 15.51 -8.33 20.97 16.76 -7.47 20.90 3 0 14.15-999 ?-999 ?-999 ? O3' ADN B 502 mTYR~B 51 16.71 -10.42 20.81 17.13 -10.05 21.63 15.87 -12.62 20.02 15.62 -13.10 18.92 17.07 -11.70 20.22 18.10 -12.41 21.10 3 0 17.58-999 ?-999 ?-999 ? O3' ADN B 502 mARG~B 52 15.12 -12.86 21.09 15.42 -12.39 21.92 12.92 -13.32 20.00 12.30 -14.15 19.34 13.97 -13.74 21.02 13.37 -13.89 22.41 2 0 19.47-999 ?-999 ?-999 ? O3' ADN B 502 mALA~B 53 12.73 -12.01 19.85 13.30 -11.43 20.43 12.29 -11.63 17.46 11.55 -12.00 16.55 11.76 -11.52 18.89 11.41 -10.07 19.20 2 0 18.40-999 ?-999 ?-999 ? O3' ADN B 502 mSER~B 54 13.57 -11.33 17.28 14.06 -11.07 18.12 14.00 -12.74 15.28 13.80 -12.80 14.07 14.19 -11.38 15.96 15.68 -11.05 16.05 2 0 19.11-999 ?-999 ?-999 ? O3' ADN B 502 mLEU~B 55 14.07 -13.81 16.06 14.23 -13.60 17.03 12.66 -15.34 14.68 12.65 -16.16 13.77 13.91 -15.16 15.54 13.85 -16.16 16.69 3 0 22.65-999 ?-999 ?-999 ? O3' ADN B 502 mASP~B 56 11.62 -14.56 14.96 11.77 -13.93 15.72 10.25 -13.57 13.15 9.20 -13.38 12.55 10.37 -14.65 14.21 9.18 -14.59 15.18 2 0 23.45-999 ?-999 ?-999 ? O3' ADN B 502 mPHE~B 57 11.35 -12.85 12.94 12.12 -13.10 13.53 12.16 -12.37 10.75 13.12 -13.13 10.92 11.40 -11.81 11.94 12.10 -10.57 12.49 3 0 22.16-999 ?-999 ?-999 ? O3' ADN B 502 mPRO~B 58 11.74 -12.02 9.53 10.95 -11.41 9.52 13.75 -11.84 8.07 14.01 -10.76 8.59 12.40 -12.52 8.32 11.39 -12.20 7.23 3 0 24.85-999 ?-999 ?-999 ? O3' ADN B 502 mPRO~B 59 14.63 -12.48 7.28 14.33 -13.37 6.92 15.71 -10.52 6.32 14.66 -10.30 5.71 15.92 -11.86 7.02 16.63 -12.89 6.14 3 0 25.02-999 ?-999 ?-999 ? O3' ADN B 502 mSER~B 60 16.69 -9.64 6.43 17.48 -9.98 6.95 15.75 -7.39 6.70 15.48 -6.25 6.33 16.62 -8.31 5.84 16.06 -8.36 4.41 2 0 23.73-999 ?-999 ?-999 ? O3' ADN B 502 mTHR~B 61 15.31 -7.90 7.85 15.58 -8.84 8.03 15.38 -6.05 9.42 16.47 -6.36 9.91 14.49 -7.09 8.75 13.80 -7.95 9.84 2 0 20.73-999 ?-999 ?-999 ? O3' ADN B 502 mVAL^B 62 14.92 -4.80 9.41 14.03 -4.69 8.96 15.12 -3.46 11.43 14.00 -2.99 11.60 15.66 -3.72 10.03 15.56 -2.43 9.18 3 0 17.75-999 ?-999 ?-999 ? O3' ADN B 502 mPHE^B 63 15.94 -3.78 12.43 16.81 -4.16 12.14 16.00 -2.25 14.39 17.18 -1.90 14.35 15.56 -3.60 13.83 16.17 -4.72 14.68 3 0 14.51-999 ?-999 ?-999 ? O3' ADN B 502 mLEU^B 64 15.04 -1.50 14.92 14.13 -1.91 14.87 15.27 -0.40 17.03 14.20 -0.39 17.64 15.32 -0.20 15.52 14.27 0.82 15.07 3 0 11.28-999 ?-999 ?-999 ? O3' ADN B 502 mVAL^B 65 16.44 -0.59 17.63 17.22 -0.55 17.01 17.08 0.41 19.80 18.24 0.79 19.65 16.56 -0.82 19.07 17.53 -1.98 19.34 3 0 8.68-999 ?-999 ?-999 ? O3' ADN B 502 mVAL^B 66 16.23 1.04 20.61 15.31 0.64 20.67 16.39 2.32 22.82 15.36 2.85 23.24 16.67 2.23 21.32 16.12 3.52 20.66 3 0 -5.02-999 ?-999 ?-999 ? O3' ADN B 502s mVAL~B 67 17.32 1.78 23.60 18.04 1.33 23.09 18.67 2.49 25.22 19.68 1.82 25.41 17.30 1.84 25.06 17.30 0.44 25.70 3 0 -3.41-999 ?-999 ?-999 ? O3' ADN B 502s mASP~B 68 18.67 3.82 25.13 17.77 4.23 25.06 20.06 5.65 26.21 19.81 6.83 25.98 19.91 4.58 25.13 20.03 5.18 23.72 2 0 -3.67-999 ?-999 ?-999 ? O3' ADN B 502s mTYR~B 69 20.48 5.23 27.40 20.66 4.25 27.46 21.90 7.02 28.30 22.02 8.10 28.86 20.66 6.16 28.51 20.76 5.39 29.84 3 0 -3.33-999 ?-999 ?-999 ? N3 ADN B 502s mGLY~B 70 22.82 6.52 27.47 22.60 5.63 27.07 23.82 8.27 26.08 24.76 8.93 25.64 24.03 7.26 27.18-999.99-999.99-999.99 1 0 6.23-999 ?-999 ?-999 ? N3 ADN B 502 mVAL~B 71 22.58 8.39 25.62 21.91 7.79 26.06 22.93 10.69 24.78 22.92 11.21 25.90 22.25 9.34 24.55 20.73 9.57 24.44 3 0 5.58-999 ?-999 ?-999 ? O5' ADN B 502 mGLY~B 72 23.52 11.23 23.73 23.46 10.70 22.88 25.63 12.46 24.29 26.32 13.48 24.27 24.18 12.52 23.83-999.99-999.99-999.99 1 0 8.15-999 ?-999 ?-999 ? O5' ADN B 502 mTHR~B 73 26.10 11.28 24.69 25.44 10.53 24.67 28.39 10.67 24.01 27.97 10.58 22.86 27.48 11.16 25.14 27.61 10.18 26.31 2 0 10.62-999 ?-999 ?-999 ? N3 ADN B 502 mSER~B 74 29.63 10.35 24.37 29.82 10.46 25.34 30.26 8.49 22.88 30.82 8.05 21.87 30.60 9.89 23.40 32.00 9.88 24.01 2 0 13.86-999 ?-999 ?-999 ? N3 ADN B 502 mARG~B 75 29.36 7.80 23.57 29.00 8.27 24.37 28.65 6.49 21.67 28.15 7.50 21.16 28.97 6.45 23.16 27.75 5.98 23.97 2 0 12.53-999 ?-999 ?-999 ? C4' ADN B 502 mLYS~B 76 28.97 5.41 20.96 29.35 4.67 21.50 27.36 4.89 19.08 26.76 4.01 19.69 28.74 5.36 19.52 29.79 4.45 18.87 2 0 13.32-999 ?-999 ?-999 ? O5' ADN B 502 mALA^B 77 26.88 5.51 18.01 27.47 6.23 17.66 26.01 4.25 16.26 26.79 4.65 15.40 25.59 5.17 17.41 24.91 6.41 16.87 2 0 11.65-999 ?-999 ?-999 ? O5' ADN B 502 mILE^B 78 25.50 3.02 16.25 24.85 2.81 16.97 24.81 1.30 14.52 23.65 1.29 14.95 25.91 2.09 15.21 26.92 1.09 15.78 3 0 14.36-999 ?-999 ?-999 ? O3' ADN B 502 mVAL^B 79 25.20 0.64 13.44 26.16 0.78 13.21 25.06 -1.52 12.47 26.19 -1.55 11.96 24.32 -0.21 12.65 24.03 0.38 11.25 3 0 16.00-999 ?-999 ?-999 ? O3' ADN B 502 mMETB 80 24.45 -2.62 12.90 23.53 -2.46 13.27 24.36 -4.92 11.93 23.13 -5.02 11.95 25.09 -3.91 12.81 25.26 -4.51 14.20 2 0 17.83-999 ?-999 ?-999 ? O3' ADN B 502 mLYS^B 81 25.14 -5.67 11.15 26.11 -5.45 11.22 25.12 -8.04 10.81 26.32 -8.24 10.93 24.60 -6.70 10.28 25.08 -6.51 8.83 2 0 20.92-999 ?-999 ?-999 ? O3' ADN B 502 mTHR^B 82 24.19 -8.93 11.13 23.25 -8.62 10.99 24.59 -11.29 10.53 24.17 -11.03 9.40 24.54 -10.25 11.65 23.52 -10.70 12.72 2 0 22.20-999 ?-999 ?-999 ? O3' ADN B 502 mLYS~B 83 25.09 -12.48 10.86 25.37 -12.55 11.82 23.89 -14.04 9.28 23.89 -14.62 8.19 25.21 -13.56 9.88 25.94 -14.75 10.52 2 0 25.86-999 ?-999 ?-999 ? O3' ADN B 502 mASN~B 84 22.78 -13.79 9.96 22.91 -13.31 10.83 20.82 -13.14 8.61 19.60 -13.12 8.44 21.48 -14.22 9.45 20.56 -14.63 10.61 2 0 25.59-999 ?-999 ?-999 ? O3' ADN B 502 mASP~B 85 21.64 -12.24 8.09 22.59 -12.38 8.34 20.26 -10.11 7.87 19.63 -9.33 7.17 21.17 -11.15 7.23 20.48 -11.72 5.98 2 0 24.88-999 ?-999 ?-999 ? O3' ADN B 502 mGLN~B 86 20.19 -10.09 9.20 20.73 -10.79 9.67 20.21 -7.88 10.22 21.42 -8.00 10.42 19.35 -9.10 9.86 18.68 -9.68 11.10 2 0 21.28-999 ?-999 ?-999 ? O3' ADN B 502 mTYR^B 87 19.57 -6.72 10.28 18.59 -6.78 10.09 19.79 -4.86 11.90 18.61 -4.93 12.25 20.26 -5.47 10.58 20.04 -4.48 9.44 3 0 18.65-999 ?-999 ?-999 ? O3' ADN B 502 mPHE^B 88 20.73 -4.25 12.63 21.64 -4.25 12.22 20.92 -2.20 14.06 22.12 -1.94 14.12 20.42 -3.63 13.92 21.00 -4.50 15.04 3 0 15.02-999 ?-999 ?-999 ? O3' ADN B 502 mVAL^B 89 19.97 -1.26 14.11 19.04 -1.62 14.02 20.11 0.44 15.77 18.99 0.39 16.28 20.28 0.15 14.28 19.30 1.04 13.48 3 0 12.84-999 ?-999 ?-999 ? O3' ADN B 502 mALA^B 90 21.20 0.72 16.46 22.05 0.75 15.93 22.36 1.61 18.48 23.36 1.82 17.78 21.11 0.98 17.89 20.81 -0.33 18.61 2 0 9.85-999 ?-999 ?-999 ? O3' ADN B 502 mPRO^B 91 22.32 1.96 19.77 21.45 1.78 20.24 24.48 1.48 20.80 24.09 0.34 21.08 23.48 2.57 20.42 22.87 3.25 21.64 3 0 9.12-999 ?-999 ?-999 ? O3' ADN B 502 mASP~B 92 25.75 1.82 20.80 25.93 2.78 20.55 26.94 0.77 22.66 27.94 1.20 23.22 26.80 0.88 21.14 28.12 1.34 20.51 2 0 12.11-999 ?-999 ?-999 ? O3' ADN B 502 mASN~B 93 25.93 0.21 23.31 25.17 -0.09 22.73 25.82 -1.39 25.23 25.79 -1.67 26.42 25.94 0.06 24.77 24.82 0.88 25.42 2 0 10.90-999 ?-999 ?-999 ? O3' ADN B 502 mGLY~B 94 25.74 -2.31 24.27 25.76 -1.96 23.33 24.25 -4.29 24.43 24.04 -5.48 24.67 25.63 -3.71 24.62-999.99-999.99-999.99 1 0 12.85-999 ?-999 ?-999 ? O3' ADN B 502 mVAL~B 95 23.30 -3.47 24.00 23.59 -2.53 23.84 21.89 -4.98 22.67 20.94 -5.76 22.56 21.94 -3.96 23.80 20.96 -2.80 23.47 3 0 10.78-999 ?-999 ?-999 ? O3' ADN B 502 mLEU~B 96 22.92 -4.98 21.82 23.62 -4.30 22.02 23.79 -7.16 21.08 24.07 -8.01 20.23 22.98 -5.92 20.70 23.62 -5.25 19.49 3 0 13.72-999 ?-999 ?-999 ? O3' ADN B 502 mTHR~B 97 24.15 -7.26 22.35 23.83 -6.51 22.92 24.50 -9.76 22.38 25.24 -10.45 21.68 24.94 -8.38 22.85 24.97 -8.39 24.40 2 0 16.21-999 ?-999 ?-999 ? O3' ADN B 502 mVAL~B 98 23.29 -10.15 22.77 22.80 -9.46 23.30 22.57 -11.84 20.97 22.88 -12.96 20.59 22.73 -11.46 22.44 21.38 -11.66 23.15 3 0 17.99-999 ?-999 ?-999 ? O3' ADN B 502 mVAL~B 99 22.06 -10.93 20.14 21.83 -10.05 20.56 23.23 -11.38 18.04 23.43 -12.25 17.20 21.88 -11.26 18.74 21.02 -10.20 18.00 3 0 18.51-999 ?-999 ?-999 ? O3' ADN B 502 mALA~B 100 24.16 -10.49 18.40 23.87 -9.84 19.10 26.20 -11.80 18.18 27.08 -12.26 17.46 25.48 -10.51 17.80 26.29 -9.30 18.26 2 0 19.64-999 ?-999 ?-999 ? O3' ADN B 502 mGLU~B 101 25.80 -12.39 19.30 25.04 -11.93 19.77 25.75 -14.89 19.27 26.41 -15.91 19.09 26.43 -13.61 19.76 26.48 -13.62 21.29 2 0 22.01-999 ?-999 ?-999 ? O3' ADN B 502 mGLU~B 102 24.44 -14.83 19.05 24.03 -13.94 19.24 23.79 -16.13 17.07 23.83 -17.24 16.54 23.70 -15.99 18.58 22.23 -15.89 18.99 2 0 23.36-999 ?-999 ?-999 ? O3' ADN B 502 mTYR~B 103 23.80 -15.00 16.37 23.75 -14.17 16.93 25.29 -14.81 14.43 25.67 -15.35 13.39 23.86 -15.00 14.92 22.98 -13.89 14.35 3 0 23.89-999 ?-999 ?-999 ? O3' ADN B 502 mGLY~B 104 26.08 -14.03 15.17 25.66 -13.67 16.00 27.48 -12.45 14.01 26.55 -12.13 13.27 27.44 -13.77 14.76-999.99-999.99-999.99 1 0 24.36-999 ?-999 ?-999 ? O3' ADN B 502 mVAL^B 105 28.56 -11.69 14.19 29.25 -12.07 14.80 29.25 -10.49 12.11 30.30 -11.09 11.89 28.67 -10.40 13.52 29.54 -9.42 14.34 3 0 23.13-999 ?-999 ?-999 ? O3' ADN B 502 mALA^B 106 28.55 -9.87 11.17 27.72 -9.42 11.49 29.61 -8.53 9.43 30.72 -8.47 8.89 28.99 -9.87 9.78 27.81 -10.15 8.86 2 0 25.09-999 ?-999 ?-999 ? O3' ADN B 502 mGLU^B 107 28.91 -7.45 9.76 28.04 -7.65 10.22 28.93 -5.11 10.54 27.81 -5.18 11.02 29.38 -6.10 9.46 28.85 -5.66 8.09 2 0 23.49-999 ?-999 ?-999 ? O3' ADN B 502 mILE^B 108 29.83 -4.19 10.90 30.71 -4.26 10.43 29.92 -1.78 11.42 31.10 -1.49 11.21 29.53 -3.17 11.91 30.29 -3.44 13.23 3 0 20.65-999 ?-999 ?-999 ? O3' ADN B 502 mARG^B 109 28.92 -0.92 11.26 28.02 -1.29 11.49 28.75 1.48 11.84 27.76 1.30 12.56 29.15 0.44 10.79 28.34 0.69 9.51 2 0 20.00-999 ?-999 ?-999 ? O5' ADN B 502 mGLU^B 110 29.52 2.55 11.93 30.30 2.55 11.31 28.42 4.67 12.08 28.79 5.03 10.97 29.22 3.62 12.86 30.51 4.23 13.41 2 0 17.51-999 ?-999 ?-999 ? O5' ADN B 502 mILE~B 111 27.33 5.13 12.67 27.14 4.74 13.57 27.20 7.46 11.93 27.39 8.13 12.94 26.48 6.12 12.01 25.16 6.30 12.78 3 0 15.59-999 ?-999 ?-999 ? O5' ADN B 502 mGLU~B 112 27.61 7.84 10.72 27.37 7.22 9.98 27.77 9.99 9.44 28.12 11.18 9.37 28.33 9.09 10.54 29.80 8.79 10.24 2 0 17.61-999 ?-999 ?-999 ? O5' ADN B 502 mASN~B 113 26.91 9.45 8.59 26.70 8.49 8.77 25.09 11.00 7.92 23.98 10.48 7.88 26.34 10.23 7.50 26.03 9.31 6.32 2 0 18.93-999 ?-999 ?-999 ? O5' ADN B 502 mARG~B 114 25.29 12.26 8.31 26.24 12.56 8.28 23.13 13.34 7.66 22.05 13.87 7.93 24.18 13.11 8.74 24.70 14.46 9.24 2 0 17.23-999 ?-999 ?-999 ? O5' ADN B 502 mGLU~B 115 23.44 12.94 6.43 24.35 12.54 6.33 21.29 12.22 5.60 20.20 12.46 5.09 22.50 13.10 5.33 23.15 12.72 4.00 2 0 19.71-999 ?-999 ?-999 ? O5' ADN B 502 mLEU~B 116 21.51 11.18 6.41 22.45 11.12 6.74 19.61 10.76 7.92 18.47 10.33 8.12 20.46 10.24 6.76 21.09 8.90 7.15 3 0 17.45-999 ?-999 ?-999 ? O5' ADN B 502 mPHE~B 117 20.18 11.69 8.68 21.10 11.95 8.37 18.20 12.96 9.54 17.97 13.46 8.44 19.52 12.28 9.84 20.47 13.26 10.52 3 0 14.54-999 ?-999 ?-999 ? O5' ADN B 502 mTYR~B 118 17.33 12.98 10.54 17.65 12.53 11.38 16.17 15.10 10.64 15.48 15.90 10.01 16.03 13.60 10.42 15.06 13.02 11.46 3 0 14.08-999 ?-999 ?-999 ? O5' ADN B 502 mLYS~B 119 17.08 15.47 11.53 17.58 14.72 11.95 18.71 17.33 11.51 19.68 16.62 11.78 17.29 16.87 11.85 17.01 17.10 13.34 2 0 14.19-999 ?-999 ?-999 ? O5' ADN B 502 mLYS~B 120 18.80 18.51 10.92 17.92 18.96 10.76 21.03 19.05 11.73 22.20 18.69 11.60 20.08 19.10 10.54 19.87 20.55 10.09 2 0 16.86-999 ?-999 ?-999 ? O5' ADN B 502 mASN~B 121 20.51 19.41 12.90 19.55 19.69 12.85 20.44 18.67 15.17 19.58 19.28 15.81 21.29 19.40 14.13 21.57 20.83 14.58 2 0 14.75-999 ?-999 ?-999 ? O5' ADN B 502 mPRO~B 122 20.67 17.36 15.35 21.41 17.02 14.77 19.95 16.95 17.77 20.85 17.66 18.22 19.95 16.51 16.30 20.62 15.15 16.12 3 0 10.93-999 ?-999 ?-999 ? O5' ADN B 502 mSER~B 123 18.92 16.53 18.50 18.26 15.97 17.99 19.85 16.17 20.74 20.52 15.25 20.27 18.78 16.87 19.91 17.39 16.45 20.42 2 0 8.82-999 ?-999 ?-999 ? O5' ADN B 502 mPHE~B 124 20.02 16.62 21.98 19.41 17.37 22.23 20.53 14.75 23.51 21.34 13.87 23.81 21.01 16.05 22.87 21.36 17.03 23.99 3 0 8.11-999 ?-999 ?-999 ? O5' ADN B 502 mTHR~B 125 19.23 14.63 23.72 18.67 15.39 23.39 17.65 12.60 23.66 17.03 11.74 24.29 18.69 13.45 24.39 18.10 13.84 25.76 2 0 -4.70-999 ?-999 ?-999 ? O5' ADN B 502s mPHE~B 126 17.46 12.81 22.37 18.01 13.55 21.97 17.03 11.60 20.25 16.47 11.96 19.21 16.49 12.00 21.63 15.16 12.75 21.50 3 0 -3.52-999 ?-999 ?-999 ? O5' ADN B 502s mHIS~B 127 18.13 10.86 20.27 18.47 10.65 21.19 17.89 9.33 18.41 18.07 8.98 17.25 18.75 10.40 19.05 20.16 9.86 19.34 3 0 5.28-999 ?-999 ?-999 ? O5' ADN B 502 mGLY~B 128 16.94 8.83 19.19 16.90 9.20 20.12 15.21 8.40 17.58 14.76 7.68 16.69 16.04 7.81 18.69-999.99-999.99-999.99 1 0 5.32-999 ?-999 ?-999 ? O5' ADN B 502 mARG~B 129 15.01 9.71 17.63 15.45 10.17 18.40 15.02 11.03 15.50 14.70 10.85 14.32 14.21 10.41 16.63 13.38 11.52 17.28 2 0 7.68-999 ?-999 ?-999 ? O5' ADN B 502 mASP~B 130 16.05 11.78 15.86 16.21 11.82 16.85 17.93 11.64 14.17 18.45 12.04 13.13 16.87 12.48 14.88 17.55 13.68 15.54 2 0 9.48-999 ?-999 ?-999 ? O5' ADN B 502 mILE~B 131 18.26 10.47 14.73 17.75 10.24 15.56 18.85 8.19 13.85 18.69 7.80 12.69 19.28 9.62 14.13 20.54 9.60 15.01 3 0 9.99-999 ?-999 ?-999 ? O5' ADN B 502 mPHE~B 132 18.68 7.40 14.90 18.83 7.84 15.78 17.06 5.76 13.88 17.11 5.01 12.91 18.29 6.00 14.75 18.08 5.37 16.13 3 0 9.71-999 ?-999 ?-999 ? O5' ADN B 502 mALA~B 133 15.94 6.40 14.23 16.03 6.99 15.03 14.91 6.53 11.97 14.66 5.67 11.12 14.71 6.24 13.46 13.61 7.13 14.03 2 0 10.93-999 ?-999 ?-999 ? O5' ADN B 502 mPRO~B 134 15.38 7.74 11.63 15.55 8.37 12.40 16.54 7.12 9.50 16.30 6.76 8.35 15.59 8.08 10.22 16.12 9.51 10.28 3 0 13.65-999 ?-999 ?-999 ? O5' ADN B 502 mVAL~B 135 17.60 6.71 10.19 17.68 7.08 11.11 17.92 4.43 9.38 18.12 3.78 8.34 18.57 5.79 9.60 19.81 5.63 10.51 3 0 14.70-999 ?-999 ?-999 ? O5' ADN B 502 mALA~B 136 17.12 4.00 10.36 17.05 4.62 11.13 15.44 2.75 9.11 15.17 1.72 8.49 16.42 2.72 10.28 15.68 2.46 11.58 2 0 14.99-999 ?-999 ?-999 ? O5' ADN B 502 mALA~B 137 14.90 3.93 8.83 15.20 4.68 9.42 14.66 3.96 6.40 14.16 3.30 5.49 13.95 4.09 7.74 13.26 5.44 7.84 2 0 17.07-999 ?-999 ?-999 ? O5' ADN B 502 mHIS~B 138 15.83 4.58 6.28 16.12 5.08 7.10 17.05 3.10 4.72 16.82 2.61 3.61 16.60 4.53 5.04 17.82 5.45 5.11 3 0 19.32-999 ?-999 ?-999 ? O5' ADN B 502 mLEU~B 139 17.69 2.45 5.69 17.80 2.97 6.54 17.03 0.17 5.07 17.21 -0.71 4.23 18.16 1.09 5.49 18.81 0.56 6.77 3 0 20.06-999 ?-999 ?-999 ? O5' ADN B 502 mASP~B 140 15.86 0.37 5.67 15.87 1.12 6.33 14.32 -0.36 3.89 13.86 -1.34 3.31 14.69 -0.44 5.37 13.51 0.02 6.22 2 0 20.82-999 ?-999 ?-999 ? C5' ADN B 502 mMETB 141 14.52 0.81 3.30 14.90 1.52 3.89 15.19 0.37 0.94 14.90 0.17 -0.23 14.20 1.02 1.89 14.11 2.51 1.58 2 0 23.51-999 ?-999 ?-999 ? O5' ADN B 502 mGLY~B 142 16.38 0.05 1.46 16.51 0.27 2.42 18.68 0.19 0.54 19.53 -0.09 -0.31 17.38 -0.58 0.62-999.99-999.99-999.99 1 0 25.15-999 ?-999 ?-999 ? O5' ADN B 502 mLEU~B 143 18.85 1.18 1.42 18.08 1.31 2.04 21.28 1.08 1.68 21.26 0.22 2.56 20.07 1.97 1.43 20.00 3.04 2.52 3 0 23.73-999 ?-999 ?-999 ? O5' ADN B 502 mPRO~B 144 22.36 1.28 0.90 22.26 2.00 0.22 24.16 0.69 2.47 24.20 1.82 2.97 23.58 0.48 1.07 24.50 1.02 -0.02 3 0 25.27-999 ?-999 ?-999 ? O5' ADN B 502 mLEU~B 145 24.59 -0.40 3.10 24.50 -1.24 2.57 26.44 0.49 4.49 26.87 0.91 5.57 25.15 -0.34 4.44 25.42 -1.76 4.94 3 0 23.16-999 ?-999 ?-999 ? O5' ADN B 502 mGLU~B 146 27.04 0.72 3.33 26.58 0.32 2.54 28.00 2.98 3.40 28.85 3.73 3.87 28.28 1.49 3.25 28.98 1.26 1.91 2 0 24.79-999 ?-999 ?-999 ? O5' ADN B 502 mARG~B 147 26.81 3.40 2.98 26.22 2.68 2.62 26.07 5.28 4.47 25.62 6.41 4.65 26.43 4.81 3.06 25.27 5.09 2.10 2 0 23.30-999 ?-999 ?-999 ? O5' ADN B 502 mVAL~B 148 26.26 4.41 5.45 26.62 3.53 5.16 27.18 5.44 7.45 27.07 6.49 8.08 25.96 4.75 6.84 25.64 3.49 7.67 3 0 19.80-999 ?-999 ?-999 ? O5' ADN B 502 mGLY~B 149 28.34 4.83 7.26 28.28 3.98 6.73 30.70 4.40 7.49 30.65 3.66 6.51 29.57 5.37 7.78-999.99-999.99-999.99 1 0 20.88-999 ?-999 ?-999 ? O5' ADN B 502 mASP~B 150 31.71 4.38 8.35 31.63 5.03 9.11 32.62 2.22 9.00 31.76 2.20 9.88 32.82 3.47 8.16 34.14 4.16 8.53 2 0 23.15-999 ?-999 ?-999 ? O5' ADN B 502 mARG~B 151 33.39 1.18 8.70 34.03 1.33 7.95 33.87 0.11 10.83 34.48 1.14 11.13 33.28 -0.06 9.44 34.01 -1.18 8.70 2 0 23.78-999 ?-999 ?-999 ? O5' ADN B 502 mLEU~B 152 33.70 -0.89 11.68 33.18 -1.67 11.31 34.49 -2.27 13.50 33.58 -3.09 13.56 34.22 -0.84 13.04 33.21 -0.16 13.96 3 0 22.60-999 ?-999 ?-999 ? O3' ADN B 502 mLEU~B 153 35.74 -2.56 13.84 36.38 -1.79 13.77 35.95 -4.14 15.77 36.82 -4.74 16.40 36.12 -3.90 14.27 37.57 -4.19 13.88 3 0 24.46-999 ?-999 ?-999 ? O3' ADN B 502 mSER~B 154 34.83 -3.68 16.33 34.21 -3.22 15.70 33.26 -3.24 18.20 32.75 -2.32 17.56 34.57 -3.87 17.75 35.73 -3.29 18.58 2 0 21.76-999 ?-999 ?-999 ? O3' ADN B 502 mTYR~B 155 32.72 -3.73 19.31 33.25 -4.48 19.73 31.39 -3.53 21.36 31.95 -4.53 21.82 31.48 -3.21 19.87 30.28 -3.80 19.12 3 0 18.18-999 ?-999 ?-999 ? O3' ADN B 502 mGLU~B 156 30.67 -2.69 22.10 30.27 -1.93 21.58 29.67 -4.11 23.84 28.59 -4.28 23.27 30.51 -2.87 23.53 29.86 -1.63 24.14 2 0 16.40-999 ?-999 ?-999 ? O3' ADN B 502 mVAL~B 157 30.17 -4.96 24.73 31.05 -4.68 25.10 29.02 -6.19 26.56 29.72 -5.70 27.44 29.48 -6.20 25.10 30.40 -7.42 24.91 3 0 17.26-999 ?-999 ?-999 ? O2' ADN B 502 mLEU~B 158 27.85 -6.76 26.80 27.39 -7.12 25.98 27.74 -8.18 28.74 27.74 -9.20 28.06 27.30 -6.85 28.14 25.76 -6.81 28.11 3 0 15.95-999 ?-999 ?-999 ? O2' ADN B 502 mLYS~B 159 28.11 -8.17 30.02 28.07 -7.27 30.46 27.35 -10.34 30.70 26.20 -9.91 30.76 28.53 -9.39 30.69 28.95 -9.09 32.13 2 0 18.87-999 ?-999 ?-999 ? O2' ADN B 502 mMETB 160 27.64 -11.64 30.66 28.62 -11.86 30.62 27.10 -14.05 30.78 27.47 -14.67 29.79 26.58 -12.63 30.66 25.75 -12.49 29.40 2 0 20.47-999 ?-999 ?-999 ? O2' ADN B 502 mARG~B 161 27.11 -14.56 32.01 26.77 -13.94 32.72 26.70 -16.95 31.61 25.50 -17.03 31.89 27.59 -15.90 32.27 27.66 -16.13 33.78 2 0 24.05-999 ?-999 ?-999 ? O2' ADN B 502 mLYS~B 162 27.28 -17.75 30.73 28.26 -17.58 30.58 26.02 -19.81 31.06 26.70 -20.14 32.02 26.54 -18.80 30.04 27.42 -19.53 29.03 2 0 25.95-999 ?-999 ?-999 ? O2' ADN B 502 mPRO~B 163 24.79 -20.31 30.85 24.32 -19.96 30.04 24.87 -22.65 31.65 25.21 -23.08 30.55 24.21 -21.28 31.78 22.74 -21.31 31.36 3 0 27.73-999 ?-999 ?-999 ? O2' ADN B 502 mVAL^B 164 25.06 -23.33 32.77 24.75 -22.86 33.60 24.57 -25.71 32.70 23.58 -25.64 33.43 25.67 -24.65 32.76 26.53 -24.90 34.03 3 0 31.47-999 ?-999 ?-999 ? O2' ADN B 502 mVAL^B 165 24.74 -26.67 31.81 25.58 -26.60 31.28 24.48 -29.09 31.65 24.90 -29.57 30.60 23.76 -27.74 31.65 22.99 -27.59 30.31 3 0 33.84-999 ?-999 ?-999 ? O2' ADN B 502 mGLU~B 166 24.62 -29.69 32.82 24.24 -29.20 33.61 24.45 -32.02 33.64 23.48 -31.69 34.31 25.30 -30.98 32.92 26.65 -30.81 33.61 2 0 37.46-999 ?-999 ?-999 ? O2' ADN B 502 mASN~B 167 24.84 -33.28 33.49 25.68 -33.38 32.94 23.76 -34.35 35.56 23.05 -35.22 36.06 24.13 -34.42 34.07 24.90 -35.71 33.80 2 0 40.53-999 ?-999 ?-999 ? O5' ADN C 503 mGLU~B 168 24.24 -33.33 36.26 24.82 -32.69 35.76 22.88 -32.09 37.92 21.73 -32.37 38.29 23.91 -33.20 37.68 25.19 -32.97 38.50 2 0 40.21-999 ?-999 ?-999 ? O2' ADN B 502 mLYS^B 169 23.28 -30.84 37.71 24.23 -30.76 37.41 22.61 -28.63 36.84 23.74 -28.41 36.39 22.38 -29.70 37.90 22.59 -29.05 39.28 2 0 36.68-999 ?-999 ?-999 ? O2' ADN B 502 mVAL^B 170 21.53 -27.97 36.46 20.68 -28.27 36.88 21.45 -25.58 36.24 20.61 -25.47 37.13 21.62 -26.90 35.48 20.52 -27.05 34.41 3 0 33.28-999 ?-999 ?-999 ? O2' ADN B 502 mILE^B 171 22.27 -24.59 35.90 22.92 -24.81 35.18 22.07 -22.17 35.56 22.79 -22.14 34.56 22.19 -23.30 36.57 23.45 -23.04 37.44 3 0 30.22-999 ?-999 ?-999 ? O2' ADN B 502 mGLY^B 172 21.15 -21.26 35.82 20.63 -21.41 36.66 20.29 -18.99 35.68 20.17 -19.03 36.91 20.94 -20.13 34.93-999.99-999.99-999.99 1 0 26.56-999 ?-999 ?-999 ? O2' ADN B 502 mGLU^B 173 19.87 -17.96 34.95 20.04 -18.05 33.97 17.96 -16.45 34.78 17.86 -16.70 33.58 19.22 -16.82 35.56 20.18 -15.63 35.62 2 0 23.38-999 ?-999 ?-999 ? O2' ADN B 502 mVAL^B 174 16.99 -15.88 35.49 17.19 -15.75 36.46 15.99 -14.37 33.86 16.54 -13.32 34.20 15.73 -15.47 34.87 14.74 -14.94 35.91 3 0 21.78-999 ?-999 ?-999 ? O2' ADN B 502 mALA^B 175 15.61 -14.61 32.61 15.17 -15.50 32.47 14.63 -12.69 31.44 14.79 -11.48 31.32 15.82 -13.62 31.56 16.08 -14.32 30.23 2 0 19.16-999 ?-999 ?-999 ? O2' ADN B 502 mILE^B 176 13.42 -13.25 31.46 13.43 -14.24 31.56 11.04 -13.02 32.12 10.84 -14.24 32.16 12.22 -12.44 31.34 11.77 -12.28 29.85 3 0 18.52-999 ?-999 ?-999 ? O2' ADN B 502 mVAL^B 177 10.28 -12.14 32.75 10.61 -11.20 32.68 7.99 -11.84 32.66 7.99 -10.62 32.52 9.08 -12.51 33.49 9.07 -11.93 34.91 3 0 20.08-999 ?-999 ?-999 ? O2' ADN B 502 mASP~B 178 7.09 -12.62 32.09 7.18 -13.60 32.28 4.79 -11.61 31.99 4.67 -11.82 33.20 6.04 -12.04 31.24 5.68 -13.01 30.10 2 0 20.58-999 ?-999 ?-999 ? O2' ADN B 502 mTHR~B 179 3.87 -11.01 31.26 4.12 -10.92 30.29 1.86 -11.54 32.65 1.13 -11.18 33.58 2.61 -10.51 31.81 1.67 -10.03 30.68 2 0 21.52-999 ?-999 ?-999 ? O2' ADN B 502 mPHE~B 180 2.03 -12.82 32.33 2.64 -12.98 31.56 2.14 -14.22 34.34 1.61 -14.83 35.26 1.36 -13.88 33.08 1.20 -15.12 32.19 3 0 -25.06-999 ?-999 ?-999 ? O2' ADN B 502s mGLY~B 181 3.40 -13.82 34.37 3.71 -13.32 33.56 5.07 -15.34 35.27 5.61 -15.94 36.19 4.23 -14.10 35.52-999.99-999.99-999.99 1 0 24.23-999 ?-999 ?-999 ? O2' ADN B 502 mASN~B 182 5.16 -15.73 34.00 4.65 -15.17 33.35 7.41 -16.55 33.74 7.86 -15.49 33.31 5.94 -16.89 33.64 5.59 -17.35 32.23 2 0 -25.25-999 ?-999 ?-999 ? O2' ADN B 502s mVAL^B 183 8.17 -17.47 34.33 7.68 -18.29 34.63 10.40 -18.00 33.46 10.60 -19.21 33.53 9.60 -17.27 34.53 10.02 -17.78 35.92 3 0 24.47-999 ?-999 ?-999 ? O2' ADN B 502 mSER^B 184 10.86 -17.23 32.47 10.62 -16.27 32.56 13.12 -17.50 31.63 13.53 -16.36 31.81 11.65 -17.77 31.38 11.22 -17.13 30.06 2 0 23.77-999 ?-999 ?-999 ? O2' ADN B 502 mTHR^B 185 13.91 -18.57 31.63 13.45 -19.43 31.45 16.17 -18.30 30.62 15.64 -18.03 29.54 15.34 -18.45 31.89 15.86 -19.69 32.64 2 0 24.00-999 ?-999 ?-999 ? O2' ADN B 502 mASN^B 186 17.48 -18.47 30.78 17.75 -18.67 31.73 18.95 -19.78 29.42 19.97 -19.96 28.76 18.42 -18.38 29.68 19.57 -17.44 30.07 2 0 23.67-999 ?-999 ?-999 ? O2' ADN B 502 mILE^B 187 18.24 -20.77 29.95 17.44 -20.47 30.46 17.92 -22.81 28.59 16.70 -22.95 28.58 18.62 -22.16 29.78 18.26 -23.00 31.02 3 0 27.46-999 ?-999 ?-999 ? O2' ADN B 502 mPRO^B 188 18.68 -23.19 27.55 19.66 -23.02 27.65 17.38 -25.11 26.85 18.02 -25.98 27.44 18.07 -23.83 26.38 19.26 -24.11 25.48 3 0 28.97-999 ?-999 ?-999 ? O3' ADN B 502 mPHE~B 189 16.08 -25.22 26.59 15.68 -24.46 26.09 15.89 -27.69 26.41 15.93 -28.73 27.08 15.35 -26.40 27.03 13.86 -26.27 26.68 3 0 31.53-999 ?-999 ?-999 ? O3' ADN B 502 mASP~B 190 16.28 -27.62 25.15 16.19 -26.72 24.72 18.05 -29.31 25.20 18.18 -30.51 25.46 16.82 -28.80 24.47 17.18 -28.46 23.02 2 0 33.89-999 ?-999 ?-999 ? O3' ADN B 502 mLEU~B 191 18.95 -28.39 25.54 18.72 -27.46 25.27 19.78 -29.39 27.58 20.40 -30.35 28.02 20.16 -28.76 26.24 21.03 -27.52 26.47 3 0 34.06-999 ?-999 ?-999 ? O3' ADN B 502 mPHE~B 192 18.74 -28.85 28.20 18.33 -28.08 27.71 17.72 -30.78 29.39 18.18 -31.66 30.11 18.25 -29.35 29.48 17.17 -28.42 30.02 3 0 34.60-999 ?-999 ?-999 ? O2' ADN B 502 mLEU~B 193 16.75 -31.01 28.51 16.46 -30.22 27.98 17.21 -33.32 27.80 17.03 -34.54 27.86 16.19 -32.35 28.38 14.92 -32.33 27.51 3 0 37.54-999 ?-999 ?-999 ? O3' ADN B 502 mLYS~B 194 18.28 -32.77 27.24 18.28 -31.77 27.25 19.97 -34.46 27.73 20.72 -35.40 27.43 19.34 -33.57 26.65 20.39 -32.65 26.02 2 0 37.16-999 ?-999 ?-999 ? O5' ADN C 503 mLEU~B 195 19.65 -34.16 28.99 19.04 -33.37 29.08 19.20 -36.08 30.41 18.28 -36.36 29.63 20.15 -34.93 30.11 20.28 -34.04 31.35 3 0 39.14-999 ?-999 ?-999 ? O5' ADN C 503 mSER~B 196 19.42 -36.76 31.53 20.19 -36.42 32.07 17.23 -37.45 32.49 16.71 -38.06 33.42 18.58 -37.89 31.92 19.32 -38.74 32.96 2 0 41.15-999 ?-999 ?-999 ? O5' ADN C 503 mVAL~B 197 16.66 -36.40 31.92 17.20 -35.99 31.17 14.34 -36.07 31.23 14.69 -35.98 30.05 15.36 -35.89 32.35 15.44 -34.40 32.74 3 0 41.33-999 ?-999 ?-999 ? O2' ADN B 502 mASP~B 198 13.09 -36.31 31.60 12.94 -36.35 32.58 10.69 -35.94 31.06 10.46 -35.74 32.25 12.04 -36.50 30.60 11.90 -37.99 30.28 2 0 42.04-999 ?-999 ?-999 ? O2' ADN B 502 mPHE~B 199 9.81 -35.69 30.09 10.15 -35.89 29.17 7.77 -36.08 31.36 7.97 -37.29 31.36 8.48 -35.17 30.37 7.67 -35.07 29.08 3 0 41.28-999 ?-999 ?-999 ? O2' ADN B 502 mASP~B 200 6.92 -35.47 32.19 6.87 -34.48 32.05 6.99 -36.38 34.47 6.45 -36.65 35.54 6.16 -36.18 33.21 5.67 -37.54 32.69 2 0 43.03-999 ?-999 ?-999 ? O2' ADN B 502 mASP~B 201 8.31 -36.25 34.34 8.62 -36.05 33.41 9.06 -35.19 36.41 8.94 -34.06 35.94 9.20 -36.40 35.49 10.66 -36.49 35.05 2 0 42.93-999 ?-999 ?-999 ? O2' ADN B 502 mVAL^B 202 9.07 -35.44 37.71 9.15 -36.41 37.96 10.40 -33.94 39.02 11.24 -34.77 39.37 8.98 -34.36 38.68 8.28 -34.82 39.98 3 0 41.70-999 ?-999 ?-999 ? O2' ADN B 502 mVAL^B 203 10.69 -32.65 38.89 9.93 -32.08 38.58 12.00 -31.16 40.34 10.94 -30.78 40.83 12.02 -32.15 39.19 12.66 -31.46 37.96 3 0 39.26-999 ?-999 ?-999 ? O2' ADN B 502 mARG^B 204 13.19 -30.75 40.77 13.97 -31.14 40.28 13.82 -28.47 41.39 14.85 -28.38 40.72 13.32 -29.82 41.88 14.28 -30.38 42.92 2 0 37.81-999 ?-999 ?-999 ? O2' ADN B 502 mVAL^B 205 13.07 -27.42 41.71 12.25 -27.65 42.23 13.97 -25.36 42.56 13.29 -25.29 43.59 13.44 -26.08 41.32 12.24 -25.31 40.76 3 0 34.14-999 ?-999 ?-999 ? O2' ADN B 502 mARG^B 206 15.19 -24.84 42.45 15.60 -24.97 41.55 16.00 -22.67 43.29 16.60 -22.26 42.30 15.84 -24.16 43.55 17.22 -24.76 43.79 2 0 33.21-999 ?-999 ?-999 ? O2' ADN B 502 mVAL^B 207 15.45 -21.88 44.19 14.97 -22.36 44.93 15.98 -19.97 45.47 15.20 -19.96 46.42 15.54 -20.43 44.09 14.18 -19.80 43.69 3 0 30.27-999 ?-999 ?-999 ? O2' ADN B 502 mGLY~B 208 17.26 -19.61 45.57 17.79 -19.66 44.73 17.76 -20.37 47.81 18.18 -21.47 47.46 17.78 -19.19 46.86-999.99-999.99-999.99 1 0 30.81-999 ?-999 ?-999 ? O2' ADN B 502 mARG~B 209 17.23 -20.15 49.01 16.89 -19.22 49.15 15.95 -22.11 49.96 15.85 -23.06 50.73 17.18 -21.21 50.02 17.25 -20.60 51.42 2 0 34.36-999 ?-999 ?-999 ? O2' ADN B 502 mLYS^B 210 15.02 -21.83 49.06 15.19 -21.03 48.48 13.81 -23.58 47.75 14.40 -23.28 46.71 13.84 -22.67 48.97 12.55 -21.83 49.04 2 0 34.98-999 ?-999 ?-999 ? O2' ADN B 502 mGLU^B 211 13.13 -24.71 47.90 12.70 -24.81 48.80 11.57 -26.05 46.53 10.76 -26.26 47.43 13.02 -25.69 46.84 13.79 -26.95 47.23 2 0 36.36-999 ?-999 ?-999 ? O2' ADN B 502 mPHE^B 212 11.27 -26.11 45.24 12.04 -25.90 44.63 10.04 -27.67 43.85 11.07 -27.92 43.23 9.94 -26.44 44.75 9.37 -25.31 43.89 3 0 36.43-999 ?-999 ?-999 ? O2' ADN B 502 mLYS^B 213 8.96 -28.44 43.78 8.20 -28.15 44.37 7.97 -29.26 41.78 6.81 -28.90 42.01 8.92 -29.60 42.92 8.43 -30.83 43.68 2 0 38.66-999 ?-999 ?-999 ? O2' ADN B 502 mALA^B 214 8.47 -29.34 40.55 9.43 -29.62 40.52 7.76 -30.18 38.38 8.81 -30.79 38.21 7.68 -29.03 39.37 8.18 -27.75 38.72 2 0 37.19-999 ?-999 ?-999 ? O2' ADN B 502 mALA^B 215 6.64 -30.47 37.72 5.86 -29.88 37.96 6.98 -31.03 35.35 6.56 -29.96 34.93 6.57 -31.54 36.74 5.16 -32.11 36.69 2 0 39.11-999 ?-999 ?-999 ? O2' ADN B 502 mVAL^B 216 7.81 -31.81 34.66 8.09 -32.65 35.13 7.10 -31.66 32.36 6.81 -32.80 31.99 8.26 -31.43 33.33 9.46 -32.29 32.87 3 0 37.98-999 ?-999 ?-999 ? O2' ADN B 502 mALA~B 217 6.44 -30.58 31.96 6.79 -29.72 32.33 5.54 -30.01 29.73 6.61 -29.45 29.47 5.30 -30.69 31.07 4.07 -30.10 31.73 2 0 37.80-999 ?-999 ?-999 ? O2' ADN B 502 mLYS~B 218 4.53 -30.07 28.87 3.73 -30.58 29.20 3.68 -28.25 27.53 4.09 -27.15 27.17 4.60 -29.46 27.55 4.17 -30.46 26.47 2 0 36.52-999 ?-999 ?-999 ? O3' ADN B 502 mALA~B 219 2.44 -28.46 27.95 2.25 -29.40 28.22 1.04 -27.10 29.43 1.13 -27.97 30.30 1.45 -27.39 27.99 0.23 -27.78 27.17 2 0 35.78-999 ?-999 ?-999 ? O3' ADN B 502 mPHE~B 220 0.59 -25.87 29.67 0.58 -25.28 28.86 -0.92 -26.36 31.55 -0.92 -26.68 32.74 0.15 -25.43 30.99 -0.42 -24.02 30.91 3 0 -34.95-999 ?-999 ?-999 ? O3' ADN B 502s mGLY~B 221 -1.82 -26.80 30.68 -1.70 -26.48 29.75 -2.48 -29.11 31.42 -3.33 -29.94 31.74 -2.89 -27.68 31.12-999.99-999.99-999.99 1 0 38.37-999 ?-999 ?-999 ? O3' ADN B 502 mASP~B 222 -1.19 -29.41 31.32 -0.61 -28.64 31.04 -0.63 -31.07 33.07 -0.46 -32.22 33.47 -0.71 -30.76 31.58 0.65 -30.97 30.93 2 0 40.13-999 ?-999 ?-999 ? O3' ADN B 502 mVAL~B 223 -0.74 -30.03 33.89 -0.84 -29.15 33.43 -2.01 -29.55 35.85 -2.65 -28.80 35.11 -0.72 -30.18 35.34 0.49 -29.48 35.99 3 0 40.16-999 ?-999 ?-999 ? O2' ADN B 502 mASP~B 224 -2.39 -29.85 37.08 -1.78 -30.47 37.58 -3.48 -27.78 37.83 -2.37 -27.24 37.85 -3.62 -29.28 37.64 -3.94 -29.94 38.98 2 0 41.22-999 ?-999 ?-999 ? O2' ADN B 502 mTHR~B 225 -4.61 -27.10 37.98 -5.44 -27.66 37.95 -3.82 -25.27 39.42 -3.96 -25.91 40.47 -4.60 -25.66 38.16 -6.03 -25.10 38.25 2 0 38.90-999 ?-999 ?-999 ? O2' ADN B 502 mGLY~B 226 -3.00 -24.24 39.30 -2.97 -23.82 38.39 -0.90 -24.50 40.63 -0.13 -24.14 41.52 -2.22 -23.76 40.42-999.99-999.99-999.99 1 0 36.80-999 ?-999 ?-999 ? O2' ADN B 502 mGLU~B 227 -0.64 -25.52 39.83 -1.34 -25.71 39.14 1.74 -25.75 39.14 1.53 -25.09 38.12 0.59 -26.28 39.97 0.34 -27.75 39.63 2 0 37.37-999 ?-999 ?-999 ? O2' ADN B 502 mLEU^B 228 2.97 -26.02 39.58 2.98 -26.55 40.43 4.46 -26.51 37.72 3.86 -27.58 37.60 4.17 -25.59 38.88 5.37 -25.58 39.83 3 0 35.00-999 ?-999 ?-999 ? O2' ADN B 502 mLEU^B 229 5.38 -26.11 36.86 5.80 -25.23 37.07 6.93 -26.35 34.97 7.12 -25.14 34.90 5.74 -26.93 35.71 4.54 -27.05 34.77 3 0 34.83-999 ?-999 ?-999 ? O2' ADN B 502 mVAL^B 230 7.74 -27.25 34.42 7.47 -28.20 34.58 8.69 -27.29 32.22 8.43 -28.46 31.94 8.93 -26.87 33.66 10.18 -27.60 34.19 3 0 33.49-999 ?-999 ?-999 ? O2' ADN B 502 mHIS^B 231 8.76 -26.33 31.31 8.98 -25.42 31.68 9.32 -25.59 29.05 9.85 -24.61 29.57 8.54 -26.59 29.89 7.06 -26.45 29.56 3 0 32.90-999 ?-999 ?-999 ? O2' ADN B 502 mPRO^B 232 9.40 -25.83 27.73 8.94 -26.66 27.42 9.15 -23.82 26.41 7.97 -24.09 26.18 10.12 -24.91 26.85 10.53 -25.81 25.69 3 0 30.64-999 ?-999 ?-999 ? O3' ADN B 502 mASP~B 233 9.63 -22.59 26.30 10.60 -22.48 26.54 8.80 -21.42 24.34 9.53 -22.18 23.69 8.76 -21.50 25.86 9.19 -20.17 26.48 2 0 27.62-999 ?-999 ?-999 ? O3' ADN B 502 mSER~B 234 8.04 -20.50 23.77 7.52 -19.93 24.41 9.31 -19.92 21.72 9.42 -19.72 20.51 7.97 -20.34 22.32 6.91 -19.31 21.94 2 0 26.92-999 ?-999 ?-999 ? O3' ADN B 502 mALA~B 235 10.32 -19.78 22.57 10.09 -19.97 23.53 12.64 -20.53 22.26 13.78 -20.43 21.81 11.65 -19.39 22.11 12.13 -18.17 22.89 2 0 25.11-999 ?-999 ?-999 ? O3' ADN B 502 mGLY~B 236 12.21 -21.61 22.90 11.26 -21.57 23.22 13.80 -22.74 24.43 14.58 -23.64 24.74 13.08 -22.75 23.10-999.99-999.99-999.99 1 0 28.11-999 ?-999 ?-999 ? O3' ADN B 502 mPHE^B 237 13.54 -21.71 25.24 12.88 -21.06 24.86 13.37 -22.26 27.66 12.15 -22.34 27.60 14.17 -21.58 26.55 14.36 -20.10 26.88 3 0 26.76-999 ?-999 ?-999 ? O3' ADN B 502 mLEU^B 238 14.09 -22.75 28.67 15.07 -22.63 28.58 12.67 -22.33 30.56 13.23 -21.30 30.95 13.44 -23.40 29.79 14.48 -24.06 30.70 3 0 28.84-999 ?-999 ?-999 ? O2' ADN B 502 mGLU^B 239 11.39 -22.57 30.76 11.07 -23.45 30.41 9.72 -22.29 32.56 9.10 -23.33 32.34 10.53 -21.63 31.46 9.59 -20.97 30.45 2 0 27.75-999 ?-999 ?-999 ? O2' ADN B 502 mILE^B 240 9.73 -21.68 33.75 10.31 -20.87 33.79 7.62 -21.44 34.87 7.59 -20.23 34.68 8.95 -22.19 34.88 9.63 -21.93 36.25 3 0 29.30-999 ?-999 ?-999 ? O2' ADN B 502 mALA^B 241 6.53 -22.17 35.06 6.68 -23.14 35.21 4.25 -22.23 35.98 4.47 -23.37 36.40 5.23 -21.53 35.06 4.67 -21.48 33.64 2 0 29.96-999 ?-999 ?-999 ? O2' ADN B 502 mVAL^B 242 3.16 -21.53 36.28 3.14 -20.62 35.88 0.82 -22.07 36.29 0.33 -21.02 35.88 2.10 -22.06 37.13 1.87 -21.18 38.37 3 0 -32.28-999 ?-999 ?-999 ? O2' ADN B 502s mASN~B 243 0.29 -23.26 36.05 0.80 -24.03 36.43 -2.00 -22.48 35.85 -2.38 -22.63 37.01 -0.93 -23.41 35.27 -1.42 -24.86 35.31 2 0 34.43-999 ?-999 ?-999 ? O2' ADN B 502 mLEU~B 244 -2.45 -21.53 35.05 -2.05 -21.54 34.13 -3.02 -19.85 36.75 -3.81 -19.66 37.67 -3.46 -20.57 35.48 -4.80 -21.27 35.72 3 0 -33.63-999 ?-999 ?-999 ? O2' ADN B 502s mGLY~B 245 -1.75 -19.44 36.79 -1.21 -19.65 35.97 -0.02 -17.88 37.62 0.31 -17.65 36.45 -1.22 -18.74 37.95-999.99-999.99-999.99 1 0 31.57-999 ?-999 ?-999 ? O2' ADN B 502 mASP~B 246 0.66 -17.40 38.66 0.30 -17.68 39.56 3.11 -17.15 39.08 3.33 -17.10 40.29 1.83 -16.55 38.49 1.57 -15.18 39.14 2 0 28.40-999 ?-999 ?-999 ? O2' ADN B 502 mALA~B 247 3.95 -17.71 38.22 3.66 -17.67 37.26 6.12 -17.31 39.40 6.72 -17.65 40.43 5.21 -18.31 38.67 5.95 -18.92 37.49 2 0 28.29-999 ?-999 ?-999 ? O2' ADN B 502 mSER~B 248 6.24 -16.09 38.88 5.70 -15.94 38.05 6.70 -14.87 40.96 7.57 -14.70 41.83 7.10 -15.10 39.51 7.07 -13.77 38.73 2 0 25.26-999 ?-999 ?-999 ? O2' ADN B 502 mGLN~B 249 5.40 -14.87 41.23 4.81 -15.03 40.44 5.07 -15.90 43.47 5.50 -15.80 44.61 4.91 -14.66 42.59 3.43 -14.24 42.57 2 0 27.35-999 ?-999 ?-999 ? O2' ADN B 502 mVAL~B 250 4.74 -17.07 42.93 4.40 -17.01 41.99 6.31 -18.59 44.08 6.58 -18.94 45.23 4.86 -18.31 43.69 4.32 -19.52 42.87 3 0 30.67-999 ?-999 ?-999 ? O2' ADN B 502 mLEU~B 251 7.24 -18.45 43.13 6.87 -18.17 42.24 9.25 -17.47 44.07 10.25 -17.57 44.79 8.65 -18.69 43.39 9.40 -18.95 42.08 3 0 29.55-999 ?-999 ?-999 ? O2' ADN B 502 mSER~B 252 8.64 -16.32 43.82 7.84 -16.41 43.22 10.47 -14.70 43.84 11.41 -14.48 44.60 9.08 -15.05 44.37 9.09 -15.11 45.90 2 0 27.14-999 ?-999 ?-999 ? O2' ADN B 502 mVAL~B 253 10.59 -14.67 42.51 9.74 -14.89 42.02 11.64 -13.18 40.91 10.51 -12.81 40.60 11.85 -14.34 41.86 12.40 -15.53 41.04 3 0 24.44-999 ?-999 ?-999 ? O2' ADN B 502 mLYS~B 254 12.75 -12.60 40.46 13.60 -13.00 40.82 13.80 -11.71 38.47 14.68 -12.56 38.63 12.72 -11.49 39.53 12.97 -10.17 40.26 2 0 20.66-999 ?-999 ?-999 ? O2' ADN B 502 mGLU~B 255 13.71 -10.96 37.38 12.95 -10.32 37.36 16.09 -10.87 36.87 16.31 -9.98 37.70 14.69 -11.09 36.30 14.38 -10.07 35.19 2 0 18.38-999 ?-999 ?-999 ? O2' ADN B 502 mGLY~B 256 17.03 -11.70 36.43 16.72 -12.38 35.76 18.64 -12.57 38.05 19.79 -12.90 38.34 18.39 -11.60 36.92-999.99-999.99-999.99 1 0 19.05-999 ?-999 ?-999 ? O2' ADN B 502 mASP~B 257 17.58 -13.03 38.70 16.70 -12.67 38.37 18.23 -15.31 39.31 17.91 -15.75 38.21 17.70 -13.98 39.80 16.35 -14.22 40.48 2 0 22.51-999 ?-999 ?-999 ? O2' ADN B 502 mGLU^B 258 19.04 -15.96 40.15 19.21 -15.49 41.01 18.58 -18.36 40.02 17.83 -18.36 40.99 19.60 -17.25 39.80 20.85 -17.52 40.63 2 0 25.48-999 ?-999 ?-999 ? O2' ADN B 502 mILE^B 259 18.56 -19.31 39.10 19.21 -19.18 38.35 18.44 -21.73 38.97 19.29 -21.81 38.09 17.65 -20.45 39.19 16.53 -20.38 38.13 3 0 27.97-999 ?-999 ?-999 ? O2' ADN B 502 mGLU^B 260 18.14 -22.73 39.79 17.43 -22.52 40.47 17.77 -25.12 39.59 16.76 -25.09 40.28 18.81 -24.01 39.69 19.70 -24.25 40.91 2 0 31.50-999 ?-999 ?-999 ? O2' ADN B 502 mILE^B 261 18.03 -26.08 38.71 18.88 -25.96 38.20 17.92 -28.47 38.74 19.00 -28.65 38.17 17.13 -27.20 38.53 16.51 -27.19 37.12 3 0 34.04-999 ?-999 ?-999 ? O2' ADN B 502 mCYH^B 262 17.40 -29.35 39.58 16.52 -29.08 39.98 17.09 -31.77 39.75 15.88 -31.57 39.70 18.06 -30.61 39.90 18.59 -30.57 41.34 2 0 37.73-999 ?-999 ?-999 ? O2' ADN B 502 mARG~B 263 17.63 -32.98 39.67 18.62 -32.99 39.72 16.19 -34.55 40.88 14.96 -34.72 40.94 16.80 -34.17 39.53 17.64 -35.34 39.01 2 0 41.00-999 ?-999 ?-999 ? O2' ADN B 502 mMETC 1 52.19 -26.32 15.68 51.73 -25.98 16.50 52.96 -25.77 13.36 52.17 -24.83 13.32 52.89 -26.82 14.47 52.22 -28.12 13.95 2 0 23.80-999 ?-999 ?-999 ? C5' ADN C 503 mILE^C 2 53.95 -25.93 12.49 54.52 -26.73 12.66 53.80 -25.65 10.03 54.28 -26.73 9.70 54.16 -25.01 11.38 55.64 -24.54 11.34 3 0 23.56-999 ?-999 ?-999 ? C5' ADN C 503 mGLY^C 3 52.94 -24.97 9.27 52.59 -24.13 9.68 53.45 -24.70 6.97 53.31 -23.49 6.81 52.55 -25.44 7.95-999.99-999.99-999.99 1 0 20.73-999 ?-999 ?-999 ? C5' ADN C 503 mPHE^C 4 54.34 -25.44 6.31 54.25 -26.42 6.51 54.96 -25.03 3.90 54.76 -26.14 3.38 55.34 -24.90 5.38 56.66 -25.64 5.67 3 0 21.44-999 ?-999 ?-999 ? C5' ADN C 503 mLEU^C 5 54.89 -23.90 3.20 55.11 -23.08 3.73 55.38 -22.93 0.95 55.47 -21.73 1.24 54.52 -23.88 1.78 53.04 -23.48 1.66 3 0 20.87-999 ?-999 ?-999 ? C5' ADN C 503 mTHR^C 6 56.01 -23.45 -0.10 55.85 -24.43 -0.24 56.89 -23.09 -2.41 56.28 -24.09 -2.80 56.86 -22.62 -0.96 58.34 -22.62 -0.52 2 0 22.89-999 ?-999 ?-999 ? C5' ADN C 503 mASP~C 7 57.65 -22.34 -3.21 58.05 -21.55 -2.75 59.35 -22.95 -4.79 59.89 -22.83 -5.89 57.86 -22.65 -4.62 57.45 -21.44 -5.49 2 0 -23.32-999 ?-999 ?-999 ? C8 ADN C 503s mTRP~C 8 60.01 -23.35 -3.71 59.44 -23.45 -2.89 61.88 -24.97 -4.33 63.01 -25.11 -4.81 61.45 -23.62 -3.76 62.08 -23.50 -2.37 3 0 -25.03-999 ?-999 ?-999 ? C3' ADN C 503s mGLY~C 9 60.99 -25.96 -4.26 60.11 -25.71 -3.86 62.06 -28.02 -3.63 62.48 -27.39 -2.67 61.32 -27.29 -4.74-999.99-999.99-999.99 1 0 22.30-999 ?-999 ?-999 ? C3' ADN C 503 mLEU~C 10 62.22 -29.33 -3.76 61.81 -29.71 -4.59 64.30 -30.53 -3.27 65.10 -31.13 -2.54 62.92 -30.13 -2.76 62.12 -31.39 -2.42 3 0 21.77-999 ?-999 ?-999 ? C3' ADN C 503 mLYS~C 11 64.58 -30.20 -4.52 63.85 -29.72 -5.00 66.95 -29.63 -4.50 68.04 -30.10 -4.18 65.87 -30.52 -5.13 65.80 -30.31 -6.65 2 0 24.06-999 ?-999 ?-999 ? C3' ADN C 503 mSER~C 12 66.64 -28.35 -4.33 65.72 -28.10 -4.64 67.68 -27.59 -2.22 66.81 -28.18 -1.60 67.58 -27.40 -3.73 67.16 -25.95 -4.02 2 0 27.13-999 ?-999 ?-999 ? C3' ADN C 503 mHIS~C 13 68.75 -27.06 -1.64 69.38 -26.60 -2.27 68.23 -26.02 0.54 68.30 -25.94 1.76 68.97 -27.15 -0.20 70.47 -27.04 0.09 3 0 28.61-999 ?-999 ?-999 ? O3' ADN C 503 mTYR~C 14 67.53 -25.17 -0.19 67.53 -25.35 -1.18 65.84 -24.49 1.52 65.85 -23.93 2.63 66.81 -24.06 0.43 66.06 -23.24 -0.61 3 0 28.86-999 ?-999 ?-999 ? C3' ADN C 503 mVAL~C 15 64.99 -25.46 1.21 65.07 -25.84 0.28 64.74 -26.42 3.44 64.31 -26.14 4.56 64.02 -25.91 2.19 63.13 -27.05 1.63 3 0 25.84-999 ?-999 ?-999 ? C5' ADN C 503 mGLY~C 16 65.82 -27.15 3.26 66.08 -27.31 2.30 67.18 -26.61 5.29 67.10 -26.71 6.53 66.56 -27.68 4.40-999.99-999.99-999.99 1 0 27.27-999 ?-999 ?-999 ? O3' ADN C 503 mVAL~C 17 67.81 -25.59 4.70 67.83 -25.60 3.70 67.33 -23.76 6.27 67.57 -23.28 7.38 68.42 -24.56 5.54 69.38 -23.60 4.76 3 0 30.80-999 ?-999 ?-999 ? C5' ADN C 503 mALA~C 18 66.15 -23.63 5.68 66.08 -24.03 4.77 64.67 -23.77 7.61 64.53 -23.25 8.71 65.07 -22.93 6.38 63.86 -22.74 5.45 2 0 29.41-999 ?-999 ?-999 ? C5' ADN C 503 mLYS~C 19 64.47 -25.07 7.41 64.59 -25.37 6.47 65.18 -25.92 9.63 64.85 -25.95 10.82 64.11 -25.94 8.53 63.91 -27.38 8.05 2 0 27.64-999 ?-999 ?-999 ? C5' ADN C 503 mALA~C 20 66.45 -25.87 9.23 66.58 -25.85 8.24 67.49 -24.57 11.02 67.77 -24.58 12.23 67.54 -25.85 10.19 68.89 -25.96 9.47 2 0 30.92-999 ?-999 ?-999 ? C5' ADN C 503 mVAL~C 21 67.13 -23.45 10.39 66.96 -23.57 9.41 65.85 -22.28 12.11 65.96 -21.83 13.26 67.01 -22.19 11.10 66.75 -21.01 10.12 3 0 32.88-999 ?-999 ?-999 ? C5' ADN C 503 mILE~C 22 64.74 -22.86 11.68 64.76 -23.19 10.74 63.97 -23.83 13.79 63.68 -23.46 14.94 63.58 -22.98 12.57 62.38 -23.61 11.84 3 0 30.73-999 ?-999 ?-999 ? C5' ADN C 503 mLYS~C 23 64.62 -24.97 13.52 64.79 -25.13 12.55 66.05 -25.24 15.55 66.07 -25.57 16.73 65.04 -25.88 14.58 65.63 -27.16 13.97 2 0 31.12-999 ?-999 ?-999 ? C5' ADN C 503 mARG~C 24 66.88 -24.34 15.04 66.77 -24.16 14.06 67.14 -22.82 16.91 67.46 -22.83 18.08 67.87 -23.69 15.90 68.84 -22.86 15.05 2 0 29.92-999 ?-999 ?-999 ? O5' ADN A 501 mILE~C 25 66.14 -22.08 16.43 66.00 -22.17 15.44 64.50 -22.08 18.23 64.39 -21.76 19.40 65.34 -21.23 17.28 64.41 -20.34 16.44 3 0 29.30-999 ?-999 ?-999 ? O5' ADN A 501 mASN~C 26 63.91 -23.15 17.72 64.07 -23.29 16.74 63.22 -25.49 18.15 62.58 -25.94 17.20 63.10 -24.03 18.56 61.63 -23.63 18.50 2 0 28.93-999 ?-999 ?-999 ? O5' ADN A 501 mPRO~C 27 64.06 -26.25 18.86 64.52 -25.76 19.60 62.97 -28.49 18.60 62.89 -29.55 17.98 64.27 -27.67 18.58 65.23 -28.10 19.69 3 0 28.87-999 ?-999 ?-999 ? O5' ADN A 501 mSER~C 28 61.96 -27.98 19.30 62.15 -27.10 19.72 59.65 -28.36 18.33 58.58 -28.96 18.29 60.68 -28.69 19.41 60.06 -28.42 20.79 2 0 29.83-999 ?-999 ?-999 ? C5' ADN A 501 mALA~C 29 59.97 -27.40 17.45 60.87 -26.98 17.58 58.65 -28.26 15.54 59.49 -29.09 15.22 59.02 -27.04 16.39 59.62 -25.94 15.49 2 0 27.89-999 ?-999 ?-999 ? C5' ADN C 503 mGLU~C 30 57.37 -28.36 15.21 56.78 -27.64 15.58 56.58 -28.85 13.00 55.60 -28.12 12.81 56.87 -29.46 14.38 55.60 -30.05 14.98 2 0 24.15-999 ?-999 ?-999 ? C5' ADN C 503 mILE^C 31 57.46 -29.15 12.04 58.20 -29.76 12.33 56.66 -29.60 9.74 57.21 -30.66 9.46 57.33 -28.62 10.68 58.72 -28.26 10.08 3 0 22.55-999 ?-999 ?-999 ? C5' ADN C 503 mILE^C 32 55.47 -29.25 9.26 55.14 -28.36 9.57 54.72 -29.45 6.97 54.17 -28.36 6.80 54.74 -30.10 8.34 53.28 -30.30 8.80 3 0 18.84-999 ?-999 ?-999 ? C5' ADN C 503 mASP^C 33 55.33 -30.11 5.99 55.75 -30.98 6.25 54.02 -29.70 3.95 53.45 -30.79 3.87 55.37 -29.57 4.64 56.42 -30.30 3.78 2 0 17.84-999 ?-999 ?-999 ? C5' ADN C 503 mILE^C 34 53.51 -28.57 3.46 54.04 -27.75 3.62 52.64 -28.97 1.31 52.05 -29.86 0.70 52.25 -28.61 2.74 51.53 -27.26 2.87 3 0 16.04-999 ?-999 ?-999 ? C5' ADN C 503 mTHR^C 35 53.67 -28.30 0.81 54.00 -27.59 1.43 55.31 -27.49 -0.81 55.21 -26.35 -0.35 54.27 -28.55 -0.50 53.25 -28.61 -1.69 2 0 16.64-999 ?-999 ?-999 ? C5' ADN C 503 mHIS~C 36 56.33 -27.89 -1.55 56.30 -28.86 -1.81 57.49 -27.06 -3.47 58.46 -26.59 -4.06 57.40 -26.99 -1.95 58.71 -27.42 -1.29 3 0 19.81-999 ?-999 ?-999 ? C5' ADN C 503 mGLU~C 37 56.46 -27.63 -4.08 55.74 -27.94 -3.46 55.43 -26.81 -6.21 54.96 -27.10 -7.31 56.40 -27.77 -5.53 56.02 -29.20 -5.92 2 0 18.49-999 ?-999 ?-999 ? C8 ADN C 503 mVAL~C 38 55.09 -25.70 -5.57 55.46 -25.59 -4.65 55.08 -24.22 -7.41 56.28 -23.99 -7.23 54.23 -24.73 -6.24 53.87 -23.55 -5.32 3 0 19.36-999 ?-999 ?-999 ? C8 ADN C 503 mGLU~C 39 54.49 -24.09 -8.59 53.53 -24.34 -8.62 55.88 -22.26 -9.34 55.27 -21.47 -8.61 55.25 -23.59 -9.74 54.35 -23.38 -10.96 2 0 20.91-999 ?-999 ?-999 ? N7 ADN C 503 mPRO~C 40 57.10 -22.00 -9.81 57.49 -22.71 -10.39 56.96 -19.50 -9.61 56.28 -19.28 -10.62 57.81 -20.76 -9.49 58.97 -20.76 -10.48 3 0 24.70-999 ?-999 ?-999 ? N7 ADN C 503 mPHE~C 41 57.00 -18.68 -8.57 57.56 -19.01 -7.80 54.78 -17.51 -8.58 54.11 -16.49 -8.56 56.30 -17.41 -8.54 56.72 -16.55 -9.74 3 0 -26.58-999 ?-999 ?-999 ? N7 ADN C 503s mASN~C 42 54.24 -18.72 -8.61 54.87 -19.49 -8.56 52.01 -18.61 -7.42 51.48 -19.56 -6.83 52.79 -18.85 -8.71 52.41 -20.22 -9.29 2 0 23.66-999 ?-999 ?-999 ? N7 ADN C 503 mVAL~C 43 51.92 -17.35 -7.00 52.37 -16.67 -7.58 49.74 -17.44 -5.84 49.18 -17.91 -4.85 51.21 -17.02 -5.77 51.30 -15.51 -5.42 3 0 24.84-999 ?-999 ?-999 ? N7 ADN C 503 mARG~C 44 49.12 -17.26 -7.00 49.70 -16.86 -7.72 47.47 -19.09 -6.82 46.57 -19.41 -6.04 47.71 -17.62 -7.19 47.30 -17.35 -8.65 2 0 23.19-999 ?-999 ?-999 ? N7 ADN C 503 mLYS~C 45 48.29 -19.97 -7.38 48.96 -19.57 -8.00 48.46 -21.64 -5.59 47.75 -22.42 -4.94 48.20 -21.41 -7.09 49.24 -22.17 -7.92 2 0 19.65-999 ?-999 ?-999 ? N7 ADN C 503 mALA~C 46 49.46 -20.95 -5.05 49.95 -20.35 -5.68 48.63 -20.66 -2.74 48.37 -21.30 -1.72 49.78 -21.09 -3.63 51.02 -20.27 -3.28 2 0 20.87-999 ?-999 ?-999 ? C8 ADN C 503 mSER~C 47 47.93 -19.58 -3.12 48.21 -19.17 -3.99 45.71 -20.11 -2.18 45.05 -20.21 -1.15 46.83 -19.09 -2.29 46.29 -17.74 -2.83 2 0 22.31-999 ?-999 ?-999 ? C8 ADN C 503 mHIS~C 48 45.50 -20.89 -3.23 46.09 -20.71 -4.02 44.94 -23.14 -2.39 44.19 -23.68 -1.56 44.47 -21.92 -3.19 44.10 -22.36 -4.60 3 0 19.04-999 ?-999 ?-999 ? N7 ADN C 503 mVAL~C 49 46.17 -23.58 -2.63 46.67 -23.05 -3.32 46.71 -24.42 -0.43 46.26 -25.23 0.38 46.70 -24.74 -1.92 48.14 -25.10 -2.42 3 0 16.86-999 ?-999 ?-999 ? C5' ADN C 503 mLEU~C 50 47.18 -23.23 -0.07 47.50 -22.66 -0.83 45.85 -22.94 2.01 45.73 -23.58 3.06 47.22 -22.81 1.33 47.69 -21.36 1.44 3 0 19.14-999 ?-999 ?-999 ? C5' ADN C 503 mTYR~C 51 44.82 -22.34 1.43 45.04 -21.84 0.59 43.04 -23.86 2.20 42.67 -24.28 3.30 43.50 -22.42 2.03 42.46 -21.67 1.19 3 0 19.17-999 ?-999 ?-999 ? O5' ADN C 503 mARG~C 52 43.06 -24.61 1.11 43.41 -24.16 0.29 43.33 -26.85 2.18 42.69 -27.63 2.89 42.60 -25.99 1.15 42.68 -26.59 -0.26 2 0 15.46-999 ?-999 ?-999 ? O5' ADN C 503 mALA~C 53 44.64 -26.66 2.31 45.02 -25.97 1.70 45.13 -26.98 4.70 45.08 -27.79 5.63 45.41 -27.44 3.28 46.90 -27.32 2.97 2 0 14.89-999 ?-999 ?-999 ? O5' ADN C 503 mSER~C 54 44.93 -25.68 4.87 44.95 -25.14 4.02 43.44 -25.65 6.87 43.32 -25.64 8.09 44.71 -25.10 6.19 44.63 -23.57 6.09 2 0 18.00-999 ?-999 ?-999 ? O5' ADN C 503 mLEU~C 55 42.50 -26.12 6.05 42.73 -26.05 5.08 41.49 -27.89 7.45 40.66 -28.25 8.28 41.24 -26.68 6.56 40.35 -27.10 5.38 3 0 16.65-999 ?-999 ?-999 ? O5' ADN C 503 mASP~C 56 42.64 -28.54 7.27 43.24 -28.16 6.56 44.02 -29.48 9.14 44.48 -30.43 9.77 42.95 -29.71 8.08 43.34 -30.89 7.18 2 0 14.97-999 ?-999 ?-999 ? O5' ADN C 503 mPHE~C 57 44.42 -28.23 9.32 44.00 -27.56 8.71 44.61 -27.34 11.53 43.60 -26.67 11.35 45.40 -27.90 10.35 46.42 -26.87 9.85 3 0 18.06-999 ?-999 ?-999 ? O5' ADN C 503 mPRO~C 58 45.04 -27.64 12.75 45.87 -28.21 12.81 44.40 -25.61 14.05 45.22 -24.96 13.40 44.28 -27.12 13.88 44.88 -27.85 15.06 3 0 20.92-999 ?-999 ?-999 ? O5' ADN C 503 mPRO~C 59 43.55 -25.04 14.91 42.90 -25.65 15.36 45.01 -23.38 15.80 45.57 -24.31 16.38 43.65 -23.60 15.12 42.46 -23.30 16.04 3 0 24.24-999 ?-999 ?-999 ? O5' ADN C 503 mSER~C 60 45.54 -22.16 15.72 44.97 -21.51 15.22 48.03 -22.37 15.50 49.18 -22.32 15.94 46.84 -21.82 16.30 46.93 -22.26 17.77 2 0 26.68-999 ?-999 ?-999 ? O5' ADN C 503 mTHR~C 61 47.75 -22.91 14.33 46.78 -22.95 14.11 49.48 -22.14 12.91 48.80 -21.13 12.63 48.81 -23.39 13.47 48.24 -24.17 12.27 2 0 24.12-999 ?-999 ?-999 ? O5' ADN C 503 mVAL^C 62 50.80 -22.18 12.78 51.22 -23.03 13.10 51.98 -21.49 10.81 52.80 -22.39 10.65 51.53 -21.07 12.20 52.77 -20.68 13.05 3 0 25.96-999 ?-999 ?-999 ? C5' ADN C 503 mPHE^C 63 51.43 -20.84 9.79 50.77 -20.13 10.05 52.95 -20.31 7.91 52.96 -19.09 8.09 51.78 -21.17 8.42 50.56 -21.00 7.49 3 0 24.09-999 ?-999 ?-999 ? C5' ADN C 503 mLEU^C 64 53.93 -20.96 7.32 53.81 -21.95 7.29 54.89 -20.39 5.25 55.11 -21.45 4.67 55.09 -20.27 6.76 56.39 -20.96 7.20 3 0 25.49-999 ?-999 ?-999 ? C5' ADN C 503 mVAL^C 65 54.46 -19.29 4.63 54.36 -18.50 5.23 55.11 -18.38 2.41 55.00 -17.15 2.45 54.16 -19.27 3.21 52.70 -18.78 2.98 3 0 24.95-999 ?-999 ?-999 ? C5' ADN C 503 mVAL^C 66 56.03 -19.00 1.68 55.99 -20.00 1.70 57.09 -18.52 -0.59 57.85 -19.39 -1.02 56.99 -18.23 0.92 58.41 -18.36 1.52 3 0 -26.80-999 ?-999 ?-999 ? C5' ADN C 503s mVAL~C 67 56.27 -17.80 -1.36 55.65 -17.22 -0.83 56.46 -16.32 -2.92 55.49 -15.57 -2.88 56.28 -17.83 -2.82 54.93 -18.27 -3.42 3 0 -26.60-999 ?-999 ?-999 ? C8 ADN C 503s mASP~C 68 57.71 -15.90 -3.07 58.38 -16.62 -3.23 58.93 -13.90 -4.08 60.09 -13.54 -3.83 58.03 -14.48 -2.98 58.63 -14.33 -1.57 2 0 -30.31-999 ?-999 ?-999 ? C8 ADN C 503s mTYR~C 69 58.38 -13.78 -5.28 57.43 -14.09 -5.34 59.59 -11.80 -6.12 60.58 -11.35 -6.67 59.12 -13.23 -6.41 58.24 -13.24 -7.67 3 0 -31.66-999 ?-999 ?-999 ? N7 ADN C 503s mGLY~C 70 58.87 -11.10 -5.25 58.08 -11.57 -4.85 60.21 -9.63 -3.73 60.31 -8.57 -3.12 59.27 -9.74 -4.93-999.99-999.99-999.99 1 0 34.86-999 ?-999 ?-999 ? N7 ADN C 503 mVAL~C 71 60.90 -10.72 -3.40 60.74 -11.51 -3.99 62.88 -9.63 -2.39 63.47 -9.46 -3.46 61.79 -10.71 -2.25 62.46 -12.11 -2.04 3 0 35.53-999 ?-999 ?-999 ? C8 ADN C 503 mGLY~C 72 63.11 -8.89 -1.31 62.55 -9.11 -0.51 63.58 -6.50 -1.84 64.33 -5.53 -1.87 64.11 -7.84 -1.35-999.99-999.99-999.99 1 0 36.50-999 ?-999 ?-999 ? N6 ADN D 504 mTHR~C 73 62.31 -6.42 -2.22 61.80 -7.28 -2.16 60.96 -4.47 -1.58 60.94 -4.95 -0.44 61.77 -5.14 -2.68 60.88 -5.32 -3.93 2 0 35.56-999 ?-999 ?-999 ? N6 ADN D 504 mSER~C 74 60.26 -3.38 -1.91 60.33 -3.12 -2.87 58.22 -3.39 -0.45 57.53 -2.93 0.45 59.49 -2.66 -0.90 59.12 -1.25 -1.41 2 0 33.99-999 ?-999 ?-999 ? N6 ADN D 504 mARG~C 75 57.92 -4.53 -1.08 58.55 -4.80 -1.81 56.90 -5.60 0.80 58.00 -5.86 1.27 56.75 -5.28 -0.69 56.63 -6.58 -1.51 2 0 37.44-999 ?-999 ?-999 ? N6 ADN D 504 mLYS~C 76 55.79 -5.56 1.53 54.96 -5.35 1.01 55.89 -7.30 3.35 55.46 -8.18 2.60 55.81 -5.82 2.96 54.59 -5.20 3.63 2 0 37.46-999 ?-999 ?-999 ? N6 ADN D 504 mALA^C 77 56.47 -7.54 4.51 56.82 -6.71 4.96 55.56 -8.81 6.21 55.64 -7.93 7.07 56.59 -8.88 5.09 57.98 -9.09 5.64 2 0 35.63-999 ?-999 ?-999 ? C5' ADN C 503 mILE^C 78 54.60 -9.72 6.21 54.65 -10.41 5.50 53.20 -10.94 7.93 53.60 -12.02 7.51 53.55 -9.64 7.22 52.24 -9.12 6.59 3 0 34.44-999 ?-999 ?-999 ? C5' ADN C 503 mVAL^C 79 52.42 -10.79 9.01 52.25 -9.83 9.23 50.39 -11.59 9.93 50.01 -10.58 10.54 51.89 -11.90 9.78 52.52 -12.01 11.20 3 0 32.75-999 ?-999 ?-999 ? C5' ADN C 503 mMETC 80 49.55 -12.45 9.36 50.01 -13.21 8.90 47.47 -13.32 10.35 47.80 -14.51 10.31 48.10 -12.29 9.42 47.48 -12.46 8.02 2 0 31.43-999 ?-999 ?-999 ? O5' ADN C 503 mLYS^C 81 46.55 -12.86 11.20 46.40 -11.87 11.15 44.40 -13.75 11.65 43.74 -12.71 11.62 45.84 -13.75 12.11 45.91 -13.24 13.55 2 0 30.84-999 ?-999 ?-999 ? O5' ADN C 503 mTHR^C 82 43.90 -14.92 11.26 44.53 -15.70 11.33 41.55 -15.31 11.92 41.94 -15.66 13.03 42.53 -15.03 10.79 42.42 -16.10 9.69 2 0 28.92-999 ?-999 ?-999 ? O5' ADN C 503 mLYS~C 83 40.26 -15.13 11.64 40.07 -14.86 10.70 39.05 -16.76 13.13 38.31 -17.00 14.09 39.24 -15.32 12.65 37.92 -14.71 12.18 2 0 29.67-999 ?-999 ?-999 ? O5' ADN C 503 mASN~C 84 39.72 -17.71 12.49 40.26 -17.40 11.71 40.85 -19.40 13.79 41.20 -20.55 14.07 39.63 -19.11 12.92 39.57 -20.07 11.73 2 0 26.53-999 ?-999 ?-999 ? O5' ADN C 503 mASP~C 85 41.50 -18.33 14.22 41.10 -17.46 13.91 43.91 -19.05 14.42 44.69 -19.71 15.10 42.69 -18.39 15.07 42.38 -19.10 16.41 2 0 28.19-999 ?-999 ?-999 ? O5' ADN C 503 mGLN~C 86 44.08 -18.88 13.11 43.34 -18.39 12.64 46.19 -18.24 12.16 45.73 -17.09 12.10 45.28 -19.42 12.47 44.93 -20.24 11.21 2 0 26.03-999 ?-999 ?-999 ? O5' ADN C 503 mTYR^C 87 47.49 -18.50 11.99 47.72 -19.47 12.07 49.22 -17.74 10.42 49.58 -18.89 10.15 48.46 -17.44 11.71 49.43 -17.31 12.89 3 0 27.85-999 ?-999 ?-999 ? O5' ADN C 503 mPHE^C 88 49.48 -16.70 9.63 49.15 -15.82 9.97 51.31 -15.86 8.25 51.08 -14.64 8.31 50.18 -16.87 8.37 49.22 -16.69 7.19 3 0 27.35-999 ?-999 ?-999 ? C5' ADN C 503 mVAL^C 89 52.52 -16.38 8.07 52.53 -17.38 8.05 54.01 -15.60 6.42 54.31 -16.66 5.85 53.73 -15.57 7.92 54.91 -16.20 8.70 3 0 29.37-999 ?-999 ?-999 ? C5' ADN C 503 mALA^C 90 53.90 -14.45 5.78 53.69 -13.65 6.35 54.35 -13.01 3.77 54.22 -11.99 4.47 54.08 -14.40 4.34 52.84 -14.97 3.66 2 0 29.55-999 ?-999 ?-999 ? C5' ADN C 503 mPRO^C 91 54.76 -12.96 2.50 54.87 -13.85 2.05 53.62 -11.11 1.58 52.68 -11.87 1.40 55.02 -11.68 1.85 55.73 -12.08 0.56 3 0 31.96-999 ?-999 ?-999 ? C5' ADN C 503 mASP~C 92 53.49 -9.79 1.58 54.33 -9.29 1.77 52.04 -9.04 -0.21 52.07 -7.94 -0.76 52.20 -9.17 1.31 52.15 -7.80 2.00 2 0 33.43-999 ?-999 ?-999 ? C5' ADN C 503 mASN~C 93 51.86 -10.18 -0.88 51.82 -10.99 -0.30 50.46 -10.90 -2.83 50.39 -11.30 -3.98 51.72 -10.20 -2.33 52.94 -10.89 -2.97 2 0 31.89-999 ?-999 ?-999 ? N7 ADN C 503 mGLY~C 94 49.48 -11.05 -1.95 49.67 -10.70 -1.03 48.15 -13.19 -2.13 47.10 -13.78 -2.34 48.24 -11.69 -2.34-999.99-999.99-999.99 1 0 29.65-999 ?-999 ?-999 ? N7 ADN C 503 mVAL~C 95 49.25 -13.81 -1.71 50.05 -13.23 -1.57 48.24 -15.65 -0.38 47.73 -16.77 -0.36 49.23 -15.26 -1.50 50.65 -15.80 -1.18 3 0 26.62-999 ?-999 ?-999 ? C8 ADN C 503 mLEU~C 96 47.95 -14.72 0.52 48.41 -13.84 0.39 45.57 -14.55 1.29 44.70 -14.48 2.17 47.00 -14.99 1.62 47.44 -14.27 2.90 3 0 26.80-999 ?-999 ?-999 ? C5' ADN C 503 mTHR~C 97 45.32 -14.25 0.02 46.10 -14.35 -0.60 42.86 -14.75 -0.02 41.86 -14.31 0.56 44.00 -13.80 -0.40 43.94 -13.58 -1.93 2 0 27.50-999 ?-999 ?-999 ? O5' ADN C 503 mVAL~C 98 43.01 -16.03 -0.34 43.88 -16.27 -0.77 41.68 -17.22 1.42 40.52 -17.17 1.84 41.95 -17.00 -0.07 42.22 -18.36 -0.79 3 0 24.28-999 ?-999 ?-999 ? O5' ADN C 503 mVAL~C 99 42.72 -17.44 2.22 43.62 -17.47 1.79 41.85 -16.38 4.27 40.97 -16.47 5.13 42.47 -17.64 3.65 43.75 -18.06 4.44 3 0 24.14-999 ?-999 ?-999 ? O5' ADN C 503 mALA~C 100 42.31 -15.20 3.83 43.02 -15.26 3.14 40.26 -13.87 4.07 39.45 -13.58 4.96 41.76 -13.94 4.35 42.45 -12.75 3.70 2 0 27.91-999 ?-999 ?-999 ? O5' ADN C 503 mGLU~C 101 39.90 -14.14 2.82 40.66 -14.37 2.21 37.65 -15.14 3.08 36.61 -14.82 3.66 38.51 -14.08 2.40 38.42 -14.22 0.89 2 0 27.70-999 ?-999 ?-999 ? O5' ADN C 503 mGLU~C 102 38.08 -16.40 3.02 38.96 -16.51 2.55 37.23 -17.49 5.12 36.19 -17.84 5.68 37.32 -17.49 3.60 37.88 -18.84 3.14 2 0 24.80-999 ?-999 ?-999 ? O5' ADN C 503 mTYR~C 103 38.31 -17.10 5.79 39.09 -16.82 5.23 38.02 -15.74 7.89 37.55 -15.67 9.02 38.29 -17.09 7.25 39.63 -17.61 7.82 3 0 25.99-999 ?-999 ?-999 ? O5' ADN C 503 mGLY~C 104 38.34 -14.66 7.18 38.69 -14.84 6.26 39.46 -12.96 8.43 40.15 -13.83 8.97 38.16 -13.34 7.74-999.99-999.99-999.99 1 0 29.68-999 ?-999 ?-999 ? O5' ADN C 503 mVAL^C 105 39.80 -11.67 8.44 39.14 -11.06 8.00 40.87 -10.63 10.45 40.10 -9.69 10.63 41.05 -11.22 9.05 41.77 -10.17 8.15 3 0 31.83-999 ?-999 ?-999 ? O5' ADN C 503 mALA^C 106 41.56 -11.19 11.44 42.14 -11.96 11.17 42.47 -9.55 13.04 42.15 -8.52 13.65 41.45 -10.66 12.80 41.63 -11.78 13.82 2 0 32.26-999 ?-999 ?-999 ? O3' ADN B 502 mGLU^C 107 43.69 -9.72 12.54 43.83 -10.58 12.05 45.93 -8.96 11.81 46.28 -10.10 11.52 44.73 -8.71 12.73 45.21 -8.72 14.18 2 0 34.07-999 ?-999 ?-999 ? O3' ADN B 502 mILE^C 108 46.55 -7.88 11.35 46.14 -7.01 11.63 48.85 -7.18 11.14 48.63 -6.03 11.55 47.74 -8.01 10.52 47.52 -7.50 9.09 3 0 35.71-999 ?-999 ?-999 ? O5' ADN C 503 mARG^C 109 50.04 -7.77 11.22 50.05 -8.71 10.87 52.30 -7.09 10.70 52.47 -8.06 9.97 51.21 -7.10 11.77 51.73 -7.86 12.99 2 0 37.65-999 ?-999 ?-999 ? O5' ADN C 503 mGLU^C 110 53.02 -5.98 10.59 52.76 -5.23 11.20 55.31 -6.46 10.40 55.44 -6.20 11.60 54.11 -5.91 9.63 54.40 -4.48 9.19 2 0 37.78-999 ?-999 ?-999 ? N6 ADN D 504 mILE~C 111 56.17 -7.21 9.72 55.94 -7.35 8.75 58.41 -6.69 10.47 59.05 -6.36 9.48 57.34 -7.77 10.38 57.88 -8.99 9.61 3 0 37.49-999 ?-999 ?-999 ? N6 ADN D 504 mGLU~C 112 58.59 -6.16 11.67 58.01 -6.55 12.39 60.55 -5.39 13.03 61.61 -4.78 13.11 59.56 -5.09 11.90 58.82 -3.79 12.23 2 0 34.07-999 ?-999 ?-999 ? N6 ADN D 504 mASN~C 113 60.19 -6.32 13.91 59.30 -6.75 13.73 62.28 -7.44 14.59 62.22 -8.67 14.44 61.05 -6.65 15.04 60.27 -7.43 16.09 2 0 34.97-999 ?-999 ?-999 ? N6 ADN D 504 mARG~C 114 63.39 -6.73 14.40 63.31 -5.76 14.61 65.25 -8.36 14.88 66.12 -9.13 14.46 64.62 -7.37 13.93 65.64 -6.30 13.52 2 0 34.05-999 ?-999 ?-999 ? N6 ADN D 504 mGLU~C 115 64.84 -8.36 16.14 64.16 -7.68 16.38 64.84 -10.71 16.72 65.33 -11.73 17.20 65.39 -9.33 17.08 65.00 -8.99 18.53 2 0 32.29-999 ?-999 ?-999 ? O5' ADN A 501 mLEU~C 116 63.82 -10.74 15.86 63.52 -9.84 15.54 63.88 -12.60 14.21 63.54 -13.70 13.80 63.22 -12.01 15.45 61.73 -11.81 15.17 3 0 33.44-999 ?-999 ?-999 ? O5' ADN A 501 mPHE~C 117 64.83 -11.88 13.62 65.03 -11.01 14.06 66.55 -13.44 12.69 67.00 -13.63 13.83 65.50 -12.37 12.41 66.16 -11.21 11.66 3 0 35.38-999 ?-999 ?-999 ? O5' ADN A 501 mTYR~C 118 66.93 -14.15 11.63 66.47 -13.91 10.78 69.31 -14.53 11.75 70.18 -14.93 12.51 67.94 -15.19 11.74 67.82 -16.17 10.56 3 0 34.74-999 ?-999 ?-999 ? O5' ADN A 501 mLYS~C 119 69.48 -13.52 10.91 68.67 -13.30 10.36 70.51 -11.28 10.93 69.44 -10.80 10.55 70.75 -12.78 10.82 71.44 -13.08 9.49 2 0 35.76-999 ?-999 ?-999 ? O5' ADN A 501 mLYS~C 120 71.49 -10.54 11.43 72.31 -11.05 11.71 71.26 -8.47 10.14 70.54 -7.50 9.93 71.34 -9.09 11.53 72.52 -8.48 12.30 2 0 33.77-999 ?-999 ?-999 ? N6 ADN D 504 mASN~C 121 71.99 -9.05 9.19 72.52 -9.84 9.51 71.34 -9.57 6.89 72.02 -10.39 6.26 72.00 -8.56 7.82 73.44 -8.29 7.39 2 0 33.24-999 ?-999 ?-999 ? N6 ADN D 504 mPRO~C 122 70.00 -9.54 6.79 69.57 -8.83 7.34 69.66 -10.42 4.47 69.88 -9.35 3.91 69.25 -10.46 5.93 67.80 -10.01 6.12 3 0 35.80-999 ?-999 ?-999 ? N6 ADN D 504 mSER~C 123 69.76 -11.59 3.84 69.58 -12.39 4.41 69.06 -10.81 1.69 67.98 -10.55 2.23 70.11 -11.64 2.43 70.06 -13.08 1.93 2 0 37.37-999 ?-999 ?-999 ? N6 ADN D 504 mPHE~C 124 69.37 -10.40 0.47 70.27 -10.67 0.15 67.42 -10.49 -1.04 66.33 -10.04 -1.40 68.41 -9.61 -0.29 69.15 -8.72 -1.30 3 0 36.50-999 ?-999 ?-999 ? N6 ADN D 504 mTHR~C 125 67.78 -11.75 -1.28 68.68 -12.01 -0.91 66.44 -13.93 -1.34 65.90 -14.83 -1.98 66.91 -12.65 -2.03 67.58 -13.06 -3.36 2 0 -36.88-999 ?-999 ?-999 ? C5' ADN C 503s mPHE~C 126 66.66 -14.04 -0.03 67.13 -13.27 0.40 65.59 -14.89 2.03 66.01 -15.40 3.07 66.21 -15.23 0.68 67.36 -16.23 0.84 3 0 -34.56-999 ?-999 ?-999 ? C5' ADN C 503s mHIS~C 127 64.59 -14.01 2.02 64.35 -13.65 1.12 63.24 -14.86 3.87 63.01 -14.92 5.07 63.91 -13.64 3.26 62.88 -12.53 2.99 3 0 34.68-999 ?-999 ?-999 ? C5' ADN C 503 mGLY~C 128 62.94 -15.85 3.03 63.16 -15.69 2.07 63.15 -17.58 4.71 62.60 -17.92 5.76 62.33 -17.07 3.53-999.99-999.99-999.99 1 0 31.08-999 ?-999 ?-999 ? C5' ADN C 503 mARG~C 129 64.46 -17.61 4.54 64.77 -17.28 3.65 65.70 -17.07 6.67 65.75 -17.41 7.86 65.37 -18.09 5.58 66.69 -18.55 4.96 2 0 32.66-999 ?-999 ?-999 ? C5' ADN C 503 mASP~C 130 65.93 -15.83 6.26 65.80 -15.68 5.28 65.29 -14.01 7.96 65.61 -13.33 8.94 66.35 -14.79 7.20 67.27 -13.82 6.48 2 0 36.07-999 ?-999 ?-999 ? C5' ADN C 503 mILE~C 131 64.05 -14.09 7.54 63.89 -14.69 6.75 61.74 -14.13 8.47 61.28 -14.21 9.60 63.02 -13.34 8.21 62.67 -12.06 7.41 3 0 35.51-999 ?-999 ?-999 ? C5' ADN C 503 mPHE~C 132 61.18 -14.69 7.41 61.67 -14.56 6.55 60.04 -16.69 8.39 59.24 -16.88 9.30 59.93 -15.44 7.52 59.42 -15.80 6.11 3 0 32.00-999 ?-999 ?-999 ? C5' ADN C 503 mALA~C 133 61.02 -17.55 8.10 61.60 -17.28 7.34 61.42 -18.50 10.35 60.74 -19.06 11.22 61.19 -18.79 8.87 62.36 -19.59 8.30 2 0 30.53-999 ?-999 ?-999 ? C5' ADN C 503 mPRO~C 134 62.40 -17.63 10.67 62.91 -17.22 9.92 61.40 -16.73 12.78 61.12 -17.06 13.92 62.62 -17.34 12.09 63.84 -16.41 12.08 3 0 33.65-999 ?-999 ?-999 ? C5' ADN C 503 mVAL~C 135 60.67 -15.85 12.09 61.01 -15.64 11.17 58.42 -16.35 12.94 57.79 -16.38 14.00 59.47 -15.25 12.68 58.88 -14.13 11.76 3 0 33.83-999 ?-999 ?-999 ? C5' ADN C 503 mALA~C 136 58.22 -17.25 11.98 58.76 -17.10 11.15 57.69 -19.19 13.38 56.84 -19.59 14.19 57.28 -18.35 12.15 57.25 -19.24 10.90 2 0 30.22-999 ?-999 ?-999 ? C5' ADN C 503 mALA~C 137 59.00 -19.43 13.52 59.57 -19.04 12.79 59.26 -19.55 15.98 58.88 -20.21 16.95 59.52 -20.22 14.64 61.02 -20.44 14.49 2 0 31.20-999 ?-999 ?-999 ? C5' ADN C 503 mHIS~C 138 59.46 -18.24 16.04 59.77 -17.81 15.19 57.74 -17.55 17.66 57.37 -17.82 18.80 59.22 -17.52 17.30 59.74 -16.08 17.21 3 0 32.17-999 ?-999 ?-999 ? O5' ADN A 501 mLEU~C 139 56.89 -17.28 16.67 57.33 -17.08 15.79 54.97 -18.66 17.35 54.22 -18.76 18.32 55.44 -17.28 16.88 54.71 -16.90 15.60 3 0 32.76-999 ?-999 ?-999 ? C5' ADN C 503 mASP~C 140 55.41 -19.70 16.66 56.02 -19.47 15.90 55.56 -21.41 18.40 55.06 -22.32 19.06 55.03 -21.07 17.01 55.58 -22.07 15.99 2 0 30.02-999 ?-999 ?-999 ? C5' ADN C 503 mMETC 141 56.56 -20.67 18.85 56.87 -19.95 18.23 56.43 -20.15 21.26 56.76 -20.30 22.43 57.15 -20.91 20.16 58.63 -20.51 20.14 2 0 30.50-999 ?-999 ?-999 ? O5' ADN A 501 mGLY~C 142 55.46 -19.31 20.88 55.30 -19.26 19.90 54.87 -17.04 21.88 54.30 -16.35 22.73 54.70 -18.56 21.87-999.99-999.99-999.99 1 0 30.89-999 ?-999 ?-999 ? O5' ADN A 501 mLEU~C 143 55.65 -16.51 20.95 56.05 -17.17 20.31 54.51 -14.36 20.70 53.76 -14.73 19.80 55.85 -15.06 20.90 56.77 -14.69 19.75 3 0 31.55-999 ?-999 ?-999 ? O5' ADN A 501 mPRO~C 144 54.19 -13.36 21.53 54.86 -13.13 22.24 52.91 -11.98 19.97 53.94 -11.45 19.53 52.91 -12.68 21.33 52.85 -11.69 22.50 3 0 33.72-999 ?-999 ?-999 ? O5' ADN A 501 mLEU~C 145 51.76 -11.98 19.31 51.01 -12.44 19.78 52.08 -9.90 17.95 52.78 -9.47 17.03 51.63 -11.36 17.99 50.18 -11.46 17.52 3 0 36.82-999 ?-999 ?-999 ? O5' ADN C 503 mGLU~C 146 51.69 -9.13 18.96 51.15 -9.60 19.66 53.54 -7.45 18.97 53.96 -6.35 18.60 52.04 -7.71 19.01 51.44 -7.05 20.25 2 0 37.61-999 ?-999 ?-999 ? O5' ADN A 501 mARG~C 147 54.35 -8.44 19.34 53.88 -9.29 19.60 56.41 -8.29 17.94 57.59 -7.99 17.76 55.80 -8.25 19.33 56.48 -9.30 20.22 2 0 34.99-999 ?-999 ?-999 ? O5' ADN A 501 mVAL~C 148 55.62 -8.68 16.95 54.68 -8.91 17.22 56.41 -7.37 14.97 57.38 -7.20 14.23 56.10 -8.75 15.58 55.09 -9.51 14.68 3 0 37.49-999 ?-999 ?-999 ? O5' ADN A 501 mGLY~C 149 55.56 -6.39 15.29 54.81 -6.68 15.90 54.37 -4.31 14.83 53.45 -4.77 15.50 55.70 -5.03 14.78-999.99-999.99-999.99 1 0 36.24-999 ?-999 ?-999 ? N7 ADN D 504 mASP~C 150 54.25 -3.18 14.13 55.06 -2.91 13.62 51.90 -3.11 13.30 52.20 -3.91 12.41 52.98 -2.43 14.14 53.17 -1.01 13.59 2 0 35.76-999 ?-999 ?-999 ? N7 ADN D 504 mARG~C 151 50.65 -2.77 13.59 50.56 -2.13 14.35 49.43 -2.68 11.46 49.92 -1.58 11.23 49.50 -3.31 12.85 48.19 -2.97 13.56 2 0 36.50-999 ?-999 ?-999 ? O3' ADN B 502 mLEU~C 152 48.81 -3.41 10.53 48.50 -4.30 10.86 47.09 -3.01 8.96 46.45 -3.96 9.41 48.59 -2.93 9.17 49.30 -3.83 8.15 3 0 37.05-999 ?-999 ?-999 ? O3' ADN B 502 mLEU~C 153 46.51 -2.02 8.28 47.14 -1.31 7.95 44.64 -2.60 6.71 43.44 -2.74 6.46 45.07 -2.02 8.05 44.52 -0.61 8.22 3 0 34.31-999 ?-999 ?-999 ? O5' ADN B 502 mSER~C 154 45.59 -2.92 5.84 46.52 -2.74 6.16 46.32 -4.47 4.06 47.37 -4.62 4.69 45.26 -3.48 4.54 45.10 -2.36 3.51 2 0 36.68-999 ?-999 ?-999 ? O5' ADN B 502 mTYR~C 155 46.04 -5.15 2.95 45.15 -4.92 2.55 46.60 -6.33 0.93 45.46 -6.12 0.53 46.96 -6.13 2.39 46.83 -7.46 3.16 3 0 35.60-999 ?-999 ?-999 ? O5' ADN C 503 mGLU~C 156 47.60 -6.72 0.13 48.47 -6.84 0.59 46.44 -8.10 -1.52 46.53 -9.13 -0.86 47.39 -6.94 -1.30 48.73 -7.23 -1.99 2 0 34.31-999 ?-999 ?-999 ? N7 ADN C 503 mVAL~C 157 45.54 -7.93 -2.48 45.60 -7.06 -2.96 44.63 -9.37 -4.24 44.78 -8.52 -5.12 44.56 -8.96 -2.78 43.13 -8.46 -2.46 3 0 31.78-999 ?-999 ?-999 ? N7 ADN C 503 mLEU~C 158 44.54 -10.67 -4.50 44.47 -11.25 -3.69 43.11 -11.11 -6.38 42.18 -11.45 -5.66 44.55 -11.16 -5.87 45.04 -12.61 -5.94 3 0 29.23-999 ?-999 ?-999 ? N7 ADN C 503 mLYS~C 159 42.95 -10.67 -7.62 43.79 -10.42 -8.09 41.13 -11.97 -8.61 41.82 -12.72 -9.30 41.63 -10.58 -8.22 41.66 -9.67 -9.45 2 0 29.68-999 ?-999 ?-999 ? N7 ADN C 503 mMETC 160 39.93 -12.31 -8.17 39.47 -11.61 -7.62 37.87 -13.53 -8.78 37.09 -12.95 -8.02 39.35 -13.61 -8.47 39.54 -14.56 -7.29 2 0 26.85-999 ?-999 ?-999 ? N7 ADN C 503 mARG~C 161 37.47 -14.11 -9.91 38.21 -14.53 -10.45 35.38 -15.21 -9.49 35.71 -16.39 -9.61 36.07 -14.12 -10.30 35.92 -14.41 -11.80 2 0 26.91-999 ?-999 ?-999 ? N6 ADN C 503 mLYS~C 162 34.42 -14.81 -8.66 34.25 -13.83 -8.66 32.69 -16.54 -8.70 31.85 -15.96 -9.38 33.69 -15.77 -7.84 32.96 -15.03 -6.72 2 0 26.06-999 ?-999 ?-999 ? N6 ADN C 503 mPRO~C 163 32.77 -17.88 -8.68 33.49 -18.25 -8.10 30.39 -18.51 -9.05 30.11 -18.26 -7.88 31.84 -18.69 -9.48 32.36 -20.11 -9.25 3 0 23.82-999 ?-999 ?-999 ? N6 ADN C 503 mVAL^C 164 29.48 -18.64 -10.00 29.85 -18.86 -10.90 27.19 -19.44 -10.53 27.65 -20.02 -11.52 28.05 -18.49 -9.72 27.58 -17.05 -10.03 3 0 25.73-999 ?-999 ?-999 ? N6 ADN C 503 mVAL^C 165 25.95 -19.61 -10.10 25.72 -19.11 -9.27 24.13 -19.61 -11.70 23.12 -19.06 -11.24 25.01 -20.47 -10.81 24.09 -21.25 -9.85 3 0 25.82-999 ?-999 ?-999 ? N6 ADN C 503 mGLU^C 166 24.52 -19.47 -12.96 25.37 -19.94 -13.19 22.89 -19.65 -14.73 23.40 -20.45 -15.51 23.74 -18.69 -13.92 24.66 -17.91 -14.86 2 0 28.18-999 ?-999 ?-999 ? N6 ADN C 503 mASN~C 167 21.58 -19.59 -14.51 21.31 -18.91 -13.82 21.07 -21.87 -15.49 21.68 -22.15 -16.53 20.62 -20.43 -15.22 20.21 -19.75 -16.53 2 0 29.16-999 ?-999 ?-999 ? N6 ADN C 503 mGLU~C 168 20.76 -22.77 -14.57 20.29 -22.40 -13.77 22.60 -24.53 -14.82 22.97 -25.69 -14.66 21.11 -24.19 -14.73 20.40 -24.75 -15.97 2 0 26.26-999 ?-999 ?-999 ? N6 ADN C 503 mLYS^C 169 23.45 -23.54 -15.07 23.03 -22.64 -15.18 25.74 -23.02 -14.20 25.36 -21.96 -13.72 24.88 -23.81 -15.18 25.38 -23.53 -16.60 2 0 23.82-999 ?-999 ?-999 ? N6 ADN C 503 mVAL^C 170 26.91 -23.57 -13.92 27.08 -24.45 -14.36 29.15 -22.77 -13.81 29.60 -23.71 -14.46 27.86 -22.92 -13.03 28.12 -23.76 -11.77 3 0 22.25-999 ?-999 ?-999 ? N6 ADN C 503 mILE^C 171 29.72 -21.58 -13.77 29.22 -20.89 -13.24 32.03 -21.08 -13.41 31.75 -20.49 -12.36 30.96 -21.32 -14.46 30.86 -20.09 -15.38 3 0 22.10-999 ?-999 ?-999 ? N6 ADN C 503 mGLY^C 172 33.23 -21.55 -13.68 33.32 -22.02 -14.56 35.65 -21.58 -13.46 35.72 -21.45 -14.68 34.33 -21.38 -12.75-999.99-999.99-999.99 1 0 20.46-999 ?-999 ?-999 ? N6 ADN C 503 mGLU^C 173 36.69 -21.89 -12.70 36.48 -21.98 -11.73 38.74 -23.27 -12.63 38.44 -23.66 -11.51 38.01 -22.09 -13.27 38.85 -20.82 -13.06 2 0 18.88-999 ?-999 ?-999 ? N6 ADN C 503 mVAL^C 174 39.70 -23.83 -13.35 39.82 -23.43 -14.26 41.47 -24.34 -11.81 42.33 -23.54 -12.16 40.49 -24.93 -12.83 41.30 -25.61 -13.95 3 0 15.74-999 ?-999 ?-999 ? N6 ADN C 503 mALA^C 175 41.33 -24.73 -10.55 40.58 -25.39 -10.40 43.46 -25.07 -9.31 44.56 -24.53 -9.18 42.19 -24.22 -9.49 41.43 -24.16 -8.18 2 0 16.09-999 ?-999 ?-999 ? N7 ADN C 503 mILE^C 176 43.30 -26.39 -9.32 42.36 -26.69 -9.48 44.31 -28.63 -9.83 43.30 -29.32 -9.66 44.44 -27.28 -9.12 44.62 -27.62 -7.63 3 0 13.12-999 ?-999 ?-999 ? N7 ADN C 503 mVAL^C 177 45.34 -29.00 -10.58 46.06 -28.32 -10.65 46.42 -31.10 -10.41 47.59 -30.72 -10.36 45.39 -30.31 -11.24 45.89 -30.21 -12.70 3 0 10.77-999 ?-999 ?-999 ? N7 ADN C 503 mASP~C 178 45.99 -32.18 -9.76 45.02 -32.39 -9.89 47.73 -33.99 -9.73 47.65 -34.04 -10.95 46.91 -32.97 -8.94 46.15 -33.68 -7.81 2 0 8.45-999 ?-999 ?-999 ? N7 ADN C 503 mTHR~C 179 48.52 -34.80 -9.04 48.48 -34.68 -8.05 48.63 -36.87 -10.48 49.18 -37.48 -11.39 49.37 -35.78 -9.72 50.32 -36.47 -8.74 2 0 8.19-999 ?-999 ?-999 ? N7 ADN C 503 mPHE~C 180 47.38 -37.12 -10.12 47.04 -36.56 -9.36 45.96 -37.53 -12.06 45.43 -38.24 -12.92 46.59 -38.14 -10.80 45.48 -38.65 -9.87 3 0 -5.19-999 ?-999 ?-999 ? N7 ADN C 503s mGLY~C 181 46.02 -36.21 -12.15 46.50 -35.74 -11.41 44.00 -35.07 -12.97 43.30 -34.57 -13.85 45.42 -35.53 -13.29-999.99-999.99-999.99 1 0 6.93-999 ?-999 ?-999 ? N6 ADN C 503 mASN~C 182 43.58 -35.26 -11.72 44.23 -35.71 -11.12 42.17 -33.31 -11.47 43.15 -32.60 -11.20 42.25 -34.82 -11.30 41.99 -35.19 -9.84 2 0 -5.80-999 ?-999 ?-999 ? N6 ADN C 503s mVAL^C 183 41.02 -32.82 -11.90 40.30 -33.50 -12.03 39.94 -30.74 -11.13 38.71 -30.80 -11.24 40.85 -31.39 -12.15 40.29 -31.17 -13.60 3 0 9.23-999 ?-999 ?-999 ? N6 ADN C 503 mSER^C 184 40.54 -30.12 -10.11 41.54 -30.14 -10.13 39.46 -28.03 -9.48 40.35 -27.30 -9.94 39.76 -29.46 -9.08 40.48 -29.48 -7.73 2 0 11.22-999 ?-999 ?-999 ? N7 ADN C 503 mTHR^C 185 38.22 -27.62 -9.30 37.60 -28.30 -8.90 37.71 -25.36 -8.44 38.02 -25.78 -7.32 37.83 -26.26 -9.67 36.47 -26.25 -10.39 2 0 14.72-999 ?-999 ?-999 ? N6 ADN C 503 mASN^C 186 37.25 -24.13 -8.66 37.05 -23.93 -9.62 35.57 -23.12 -7.25 35.10 -22.22 -6.54 37.06 -23.17 -7.57 37.54 -21.79 -8.00 2 0 17.99-999 ?-999 ?-999 ? N7 ADN C 503 mILE^C 187 34.83 -24.10 -7.78 35.36 -24.76 -8.32 33.03 -25.05 -6.40 33.28 -26.26 -6.42 33.39 -24.18 -7.59 32.70 -24.80 -8.82 3 0 18.43-999 ?-999 ?-999 ? N6 ADN C 503 mPRO^C 188 32.44 -24.46 -5.35 32.29 -23.48 -5.44 31.06 -26.30 -4.60 30.11 -26.00 -5.34 32.06 -25.24 -4.17 31.43 -24.19 -3.25 3 0 18.81-999 ?-999 ?-999 ? N7 ADN C 503 mPHE~C 189 31.26 -27.54 -4.16 32.06 -27.67 -3.57 28.92 -28.30 -4.10 27.96 -28.75 -4.72 30.35 -28.60 -4.55 30.79 -29.95 -3.97 3 0 17.34-999 ?-999 ?-999 ? N7 ADN C 503 mASP~C 190 28.78 -27.53 -3.02 29.64 -27.25 -2.60 26.73 -26.25 -3.51 25.52 -26.35 -3.68 27.46 -27.14 -2.51 27.60 -26.38 -1.19 2 0 20.57-999 ?-999 ?-999 ? O5' ADN C 503 mLEU~C 191 27.48 -25.36 -4.15 28.45 -25.37 -3.89 26.47 -25.24 -6.35 25.50 -24.87 -7.02 26.91 -24.45 -5.13 27.94 -23.41 -5.55 3 0 22.29-999 ?-999 ?-999 ? N6 ADN C 503 mPHE~C 192 27.19 -26.31 -6.66 27.97 -26.48 -6.04 25.53 -27.83 -7.53 24.68 -27.89 -8.41 26.86 -27.14 -7.80 27.95 -28.19 -8.02 3 0 19.90-999 ?-999 ?-999 ? N6 ADN C 503 mLEU~C 193 25.37 -28.33 -6.31 26.14 -28.21 -5.70 22.96 -28.02 -5.94 21.81 -28.44 -5.78 24.14 -29.00 -5.94 24.28 -29.65 -4.56 3 0 21.23-999 ?-999 ?-999 ? N6 ADN C 503 mLYS~C 194 23.23 -26.73 -6.09 24.20 -26.51 -6.17 21.33 -26.00 -7.38 20.17 -25.59 -7.48 22.16 -25.74 -6.13 22.71 -24.31 -6.14 2 0 24.62-999 ?-999 ?-999 ? N6 ADN C 503 mLEU~C 195 21.93 -26.67 -8.35 22.89 -26.90 -8.18 20.38 -28.22 -9.08 20.50 -28.64 -7.93 21.22 -27.04 -9.56 22.19 -27.49 -10.65 3 0 24.21-999 ?-999 ?-999 ? N6 ADN C 503 mSER~C 196 19.52 -28.76 -9.93 19.49 -28.34 -10.83 19.45 -31.18 -9.83 19.07 -31.88 -10.77 18.72 -29.89 -9.49 17.35 -29.86 -10.15 2 0 24.98-999 ?-999 ?-999 ? N6 ADN C 503 mVAL~C 197 20.50 -31.50 -9.07 20.69 -30.84 -8.34 21.66 -33.48 -8.06 21.90 -32.92 -7.00 21.28 -32.71 -9.32 22.58 -32.39 -10.09 3 0 21.53-999 ?-999 ?-999 ? N6 ADN C 503 mASP~C 198 21.73 -34.80 -8.22 21.52 -35.11 -9.14 23.09 -36.70 -7.69 23.33 -36.74 -8.90 22.09 -35.70 -7.14 20.83 -36.42 -6.63 2 0 20.14-999 ?-999 ?-999 ? N6 ADN C 503 mPHE~C 199 23.69 -37.49 -6.82 23.44 -37.34 -5.86 23.88 -39.47 -8.16 22.70 -39.74 -7.93 24.64 -38.49 -7.26 25.24 -39.21 -6.05 3 0 17.06-999 ?-999 ?-999 ? N1 ADN C 503 mASP~C 200 24.57 -39.95 -9.20 25.51 -39.62 -9.23 23.36 -40.12 -11.34 22.90 -40.73 -12.31 24.01 -40.87 -10.18 23.01 -41.85 -9.55 2 0 16.99-999 ?-999 ?-999 ? N1 ADN C 503 mASP~C 201 23.30 -38.80 -11.24 23.66 -38.42 -10.39 23.90 -37.79 -13.31 25.04 -38.13 -13.00 22.75 -38.00 -12.33 22.27 -36.63 -11.83 2 0 18.77-999 ?-999 ?-999 ? N6 ADN C 503 mVAL^C 202 23.59 -37.27 -14.50 22.62 -37.09 -14.63 24.55 -35.54 -15.90 23.47 -34.98 -16.12 24.62 -37.01 -15.50 24.44 -37.87 -16.77 3 0 17.67-999 ?-999 ?-999 ? N6 ADN C 503 mVAL^C 203 25.72 -34.90 -15.97 26.52 -35.45 -15.75 26.73 -33.35 -17.52 27.34 -34.32 -17.98 25.77 -33.50 -16.36 26.26 -32.60 -15.21 3 0 17.91-999 ?-999 ?-999 ? N6 ADN C 503 mARG^C 204 26.86 -32.12 -18.01 26.30 -31.43 -17.56 28.91 -30.97 -18.61 28.71 -30.07 -17.78 27.77 -31.85 -19.10 27.01 -31.17 -20.25 2 0 18.08-999 ?-999 ?-999 ? N6 ADN C 503 mVAL^C 205 30.11 -31.25 -19.10 30.13 -32.03 -19.72 31.72 -29.79 -20.03 31.94 -30.45 -21.05 31.28 -30.48 -18.74 32.42 -31.37 -18.22 3 0 16.25-999 ?-999 ?-999 ? N6 ADN C 503 mARG^C 206 31.81 -28.47 -19.98 31.60 -28.07 -19.09 33.54 -27.00 -20.91 33.70 -26.23 -19.96 32.21 -27.70 -21.14 31.11 -26.69 -21.46 2 0 18.80-999 ?-999 ?-999 ? N6 ADN C 503 mVAL^C 207 34.50 -27.30 -21.77 34.23 -27.97 -22.46 36.10 -26.22 -23.13 36.17 -27.02 -24.05 35.82 -26.69 -21.71 36.91 -27.70 -21.26 3 0 18.44-999 ?-999 ?-999 ? N6 ADN C 503 mGLY~C 208 36.25 -24.91 -23.30 36.17 -24.35 -22.47 35.38 -24.76 -25.56 34.20 -24.58 -25.25 36.50 -24.37 -24.62-999.99-999.99-999.99 1 0 21.79-999 ?-999 ?-999 ? N6 ADN C 503 mARG~C 209 35.73 -25.30 -26.72 36.72 -25.39 -26.85 34.31 -27.17 -27.45 33.46 -27.71 -28.16 34.74 -25.73 -27.71 35.34 -25.63 -29.12 2 0 23.39-999 ?-999 ?-999 ? N6 ADN C 503 mLYS^C 210 34.88 -27.77 -26.42 35.53 -27.20 -25.91 33.49 -29.33 -25.04 33.39 -28.55 -24.08 34.59 -29.16 -26.08 35.84 -29.85 -25.54 2 0 20.18-999 ?-999 ?-999 ? N6 ADN C 503 mGLU^C 211 32.68 -30.36 -25.23 32.87 -30.88 -26.06 31.72 -32.20 -24.00 31.93 -33.00 -24.90 31.62 -30.70 -24.29 30.24 -30.35 -24.88 2 0 19.28-999 ?-999 ?-999 ? N6 ADN C 503 mPHE^C 212 31.59 -32.56 -22.72 31.43 -31.79 -22.10 30.49 -34.25 -21.38 29.93 -33.35 -20.75 31.67 -33.95 -22.29 32.93 -34.21 -21.45 3 0 16.36-999 ?-999 ?-999 ? N6 ADN C 503 mLYS^C 213 30.12 -35.52 -21.31 30.62 -36.12 -21.92 29.87 -36.53 -19.25 30.98 -37.02 -19.45 29.06 -35.97 -20.42 28.25 -37.11 -21.05 2 0 16.20-999 ?-999 ?-999 ? N6 ADN C 503 mALA^C 214 29.32 -36.45 -18.04 28.42 -36.01 -18.01 29.02 -37.26 -15.76 28.11 -36.47 -15.50 30.01 -36.96 -16.87 31.05 -35.96 -16.37 2 0 13.28-999 ?-999 ?-999 ? N6 ADN C 503 mALA^C 215 29.20 -38.41 -15.12 29.97 -38.95 -15.44 28.72 -38.09 -12.74 29.90 -37.83 -12.50 28.33 -38.81 -14.02 28.41 -40.31 -13.81 2 0 13.47-999 ?-999 ?-999 ? N6 ADN C 503 mVAL^C 216 27.72 -37.76 -11.93 26.81 -37.99 -12.29 28.11 -38.33 -9.73 27.16 -39.09 -9.52 27.95 -37.13 -10.65 26.73 -36.29 -10.20 3 0 13.76-999 ?-999 ?-999 ? N6 ADN C 503 mALA~C 217 29.32 -38.54 -9.23 30.00 -37.86 -9.48 30.22 -39.33 -7.03 30.57 -38.18 -6.78 29.58 -39.69 -8.37 30.45 -40.69 -9.11 2 0 11.86-999 ?-999 ?-999 ? N1 ADN C 503 mLYS~C 218 30.37 -40.34 -6.19 30.03 -41.21 -6.53 32.42 -40.64 -4.93 33.34 -39.92 -4.54 30.97 -40.16 -4.88 30.21 -40.97 -3.84 2 0 11.52-999 ?-999 ?-999 ? C2 ADN C 503 mALA~C 219 32.61 -41.86 -5.43 31.77 -42.32 -5.72 34.33 -42.67 -6.99 33.47 -42.87 -7.85 33.94 -42.46 -5.53 33.96 -43.79 -4.79 2 0 8.10-999 ?-999 ?-999 ? C2 ADN C 503 mPHE~C 220 35.63 -42.64 -7.27 36.22 -42.47 -6.48 35.57 -44.16 -9.17 35.09 -44.24 -10.31 36.13 -42.84 -8.63 37.66 -42.90 -8.64 3 0 -5.01-999 ?-999 ?-999 ? N1 ADN C 503s mGLY~C 221 35.63 -45.19 -8.34 36.03 -44.99 -7.45 33.64 -46.60 -8.93 33.14 -47.67 -9.24 35.14 -46.50 -8.73-999.99-999.99-999.99 1 0 6.50-999 ?-999 ?-999 ? C2 ADN C 503 mASP~C 222 32.91 -45.50 -8.75 33.41 -44.68 -8.49 31.11 -45.56 -10.44 29.94 -45.70 -10.80 31.46 -45.56 -8.96 30.74 -44.41 -8.25 2 0 9.72-999 ?-999 ?-999 ? C2 ADN C 503 mVAL~C 223 32.12 -45.39 -11.29 33.01 -45.27 -10.85 32.92 -46.36 -13.36 33.89 -46.75 -12.71 31.91 -45.40 -12.74 32.12 -44.00 -13.35 3 0 9.72-999 ?-999 ?-999 ? N1 ADN C 503 mASP~C 224 32.68 -46.76 -14.60 31.86 -46.38 -15.03 34.97 -47.04 -15.40 35.11 -45.81 -15.42 33.60 -47.68 -15.26 33.09 -48.08 -16.66 2 0 10.19-999 ?-999 ?-999 ? N1 ADN C 503 mTHR~C 225 35.99 -47.89 -15.49 35.74 -48.86 -15.45 37.51 -46.58 -16.89 37.02 -46.95 -17.96 37.35 -47.41 -15.62 38.34 -48.59 -15.64 2 0 8.02-999 ?-999 ?-999 ? N1 ADN C 503 mGLY~C 226 38.17 -45.44 -16.75 38.50 -45.23 -15.83 37.27 -43.60 -18.16 37.35 -42.82 -19.10 38.40 -44.58 -17.90-999.99-999.99-999.99 1 0 8.36-999 ?-999 ?-999 ? N1 ADN C 503 mGLU~C 227 36.22 -43.65 -17.35 36.29 -44.35 -16.64 35.24 -41.50 -16.63 35.89 -41.54 -15.57 35.09 -42.75 -17.49 33.79 -43.47 -17.11 2 0 9.38-999 ?-999 ?-999 ? N1 ADN C 503 mLEU^C 228 34.63 -40.41 -17.07 34.14 -40.55 -17.94 33.64 -39.09 -15.25 32.61 -39.76 -15.32 34.68 -39.14 -16.36 34.41 -37.99 -17.33 3 0 8.75-999 ?-999 ?-999 ? N6 ADN C 503 mLEU^C 229 33.92 -38.29 -14.23 34.80 -37.84 -14.27 33.16 -36.76 -12.51 34.23 -36.16 -12.61 32.97 -38.13 -13.14 33.16 -39.19 -12.05 3 0 8.96-999 ?-999 ?-999 ? N6 ADN C 503 mVAL^C 230 32.10 -36.27 -11.88 31.29 -36.84 -11.92 31.88 -35.38 -9.75 31.01 -36.22 -9.49 32.14 -34.99 -11.19 31.05 -34.04 -11.71 3 0 10.69-999 ?-999 ?-999 ? N6 ADN C 503 mHIS^C 231 32.61 -34.79 -8.82 33.26 -34.11 -9.16 33.08 -34.09 -6.53 33.87 -33.26 -6.98 32.43 -35.13 -7.43 33.07 -36.50 -7.15 3 0 10.90-999 ?-999 ?-999 ? N6 ADN C 503 mPRO^C 232 32.74 -34.12 -5.24 32.08 -34.82 -4.98 34.74 -33.64 -3.93 34.90 -34.79 -3.57 33.33 -33.15 -4.30 32.38 -33.21 -3.11 3 0 12.34-999 ?-999 ?-999 ? N7 ADN C 503 mASP~C 233 35.76 -32.79 -4.04 35.55 -31.88 -4.39 37.18 -33.24 -2.11 36.20 -32.93 -1.42 37.08 -33.26 -3.65 38.21 -32.44 -4.31 2 0 9.83-999 ?-999 ?-999 ? O5' ADN C 503 mSER~C 234 38.34 -33.59 -1.55 39.07 -33.81 -2.20 38.35 -32.31 0.63 38.26 -32.28 1.86 38.47 -33.65 -0.09 39.78 -34.34 0.31 2 0 8.66-999 ?-999 ?-999 ? O5' ADN C 503 mALA~C 235 38.33 -31.21 -0.12 38.42 -31.37 -1.10 36.80 -29.30 0.22 36.51 -28.15 0.60 38.19 -29.89 0.49 39.27 -28.95 -0.03 2 0 12.26-999 ?-999 ?-999 ? O5' ADN C 503 mGLY~C 236 35.93 -30.08 -0.43 36.28 -30.97 -0.69 34.39 -28.92 -2.04 33.30 -28.41 -2.32 34.59 -29.61 -0.70-999.99-999.99-999.99 1 0 14.03-999 ?-999 ?-999 ? O5' ADN C 503 mPHE^C 237 35.43 -28.90 -2.87 36.25 -29.34 -2.52 34.97 -29.27 -5.28 35.35 -30.44 -5.23 35.35 -28.27 -4.19 36.68 -27.60 -4.54 3 0 14.58-999 ?-999 ?-999 ? N7 ADN C 503 mLEU^C 238 34.22 -28.81 -6.28 33.96 -27.85 -6.21 35.08 -30.06 -8.16 35.86 -29.20 -8.58 33.84 -29.69 -7.37 32.81 -29.01 -8.29 3 0 13.59-999 ?-999 ?-999 ? N6 ADN C 503 mGLU^C 239 35.26 -31.36 -8.35 34.55 -31.94 -7.97 35.97 -32.82 -10.18 34.99 -33.55 -10.02 36.42 -31.87 -9.07 37.34 -32.62 -8.10 2 0 10.07-999 ?-999 ?-999 ? N6 ADN C 503 mILE^C 240 36.71 -32.80 -11.29 37.45 -32.13 -11.29 37.59 -34.67 -12.47 38.75 -34.26 -12.42 36.42 -33.69 -12.41 36.36 -32.94 -13.78 3 0 8.54-999 ?-999 ?-999 ? N6 ADN C 503 mALA^C 241 37.28 -35.96 -12.58 36.31 -36.16 -12.60 37.94 -38.07 -13.63 36.79 -38.17 -14.06 38.32 -36.97 -12.65 38.57 -37.59 -11.27 2 0 4.98-999 ?-999 ?-999 ? N6 ADN C 503 mVAL^C 242 38.93 -38.88 -13.98 39.82 -38.62 -13.60 39.05 -41.20 -13.91 40.12 -41.24 -13.29 38.74 -40.03 -14.84 39.74 -40.04 -16.02 3 0 -4.80-999 ?-999 ?-999 ? N6 ADN C 503s mASN~C 243 38.13 -42.14 -13.78 37.29 -42.02 -14.32 39.60 -44.04 -13.43 39.56 -44.61 -14.51 38.39 -43.27 -12.90 37.16 -44.17 -12.81 2 0 -3.77-999 ?-999 ?-999 ? N1 ADN C 503s mLEU~C 244 40.67 -44.04 -12.65 40.56 -43.54 -11.79 42.52 -44.09 -14.27 43.28 -44.73 -15.00 41.90 -44.73 -13.03 41.63 -46.21 -13.28 3 0 -3.64-999 ?-999 ?-999 ? N1 ADN C 503s mGLY~C 245 42.20 -42.82 -14.49 41.58 -42.42 -13.82 43.16 -40.69 -15.26 43.20 -40.34 -14.09 42.72 -42.10 -15.64-999.99-999.99-999.99 1 0 5.28-999 ?-999 ?-999 ? N6 ADN C 503 mASP~C 246 43.47 -39.88 -16.27 43.34 -40.31 -17.17 42.97 -37.52 -16.74 43.01 -37.31 -17.96 43.93 -38.51 -16.08 45.32 -38.38 -16.70 2 0 6.23-999 ?-999 ?-999 ? N6 ADN C 503 mALA~C 247 42.11 -36.91 -15.93 42.21 -37.15 -14.96 41.72 -34.76 -17.15 41.18 -34.31 -18.16 41.12 -35.96 -16.42 40.25 -35.47 -15.28 2 0 7.24-999 ?-999 ?-999 ? N6 ADN C 503 mSER~C 248 42.83 -34.23 -16.63 43.18 -34.69 -15.81 43.87 -33.35 -18.68 43.82 -32.47 -19.53 43.46 -33.06 -17.24 44.68 -32.59 -16.42 2 0 10.08-999 ?-999 ?-999 ? N6 ADN C 503 mGLN~C 249 44.23 -34.60 -18.97 44.22 -35.22 -18.19 43.39 -35.23 -21.20 43.34 -34.80 -22.35 44.62 -34.99 -20.32 45.49 -36.25 -20.29 2 0 11.50-999 ?-999 ?-999 ? N6 ADN C 503 mVAL~C 250 42.40 -35.92 -20.65 42.57 -36.22 -19.71 40.45 -34.90 -21.73 39.95 -34.73 -22.84 41.17 -36.21 -21.39 40.23 -37.12 -20.57 3 0 11.42-999 ?-999 ?-999 ? N6 ADN C 503 mLEU~C 251 40.42 -33.98 -20.78 40.87 -34.23 -19.93 40.71 -31.75 -21.73 40.27 -30.78 -22.36 39.76 -32.70 -21.01 39.33 -32.08 -19.68 3 0 12.95-999 ?-999 ?-999 ? N6 ADN C 503 mSER~C 252 42.00 -32.03 -21.63 42.20 -32.86 -21.12 42.83 -29.80 -21.64 42.53 -28.82 -22.33 43.02 -31.19 -22.24 42.84 -31.16 -23.76 2 0 14.86-999 ?-999 ?-999 ? N6 ADN C 503 mVAL~C 253 42.99 -29.73 -20.33 43.25 -30.59 -19.89 43.97 -28.25 -18.65 44.67 -29.18 -18.25 42.81 -28.49 -19.61 41.47 -28.53 -18.83 3 0 14.98-999 ?-999 ?-999 ? N6 ADN C 503 mLYS~C 254 44.19 -26.98 -18.30 43.56 -26.32 -18.70 44.72 -25.69 -16.33 43.63 -25.16 -16.47 45.27 -26.63 -17.39 46.41 -25.94 -18.16 2 0 15.88-999 ?-999 ?-999 ? N6 ADN C 503 mGLU~C 255 45.48 -25.50 -15.26 46.34 -26.00 -15.25 44.77 -23.25 -14.76 45.49 -22.78 -15.63 45.04 -24.63 -14.18 46.10 -24.58 -13.08 2 0 16.67-999 ?-999 ?-999 ? N6 ADN C 503 mGLY~C 256 43.71 -22.60 -14.28 43.19 -23.09 -13.58 42.37 -21.30 -15.92 41.72 -20.29 -16.18 43.38 -21.28 -14.78-999.99-999.99-999.99 1 0 19.76-999 ?-999 ?-999 ? N6 ADN C 503 mASP~C 257 42.24 -22.43 -16.61 42.85 -23.17 -16.31 39.87 -22.41 -17.16 39.58 -22.85 -16.05 41.28 -22.54 -17.70 41.38 -23.90 -18.42 2 0 19.25-999 ?-999 ?-999 ? N6 ADN C 503 mGLU^C 258 38.99 -21.80 -17.95 39.35 -21.47 -18.82 36.87 -22.96 -17.77 37.08 -23.63 -18.78 37.61 -21.65 -17.53 36.93 -20.52 -18.30 2 0 20.36-999 ?-999 ?-999 ? N6 ADN C 503 mILE^C 259 36.02 -23.34 -16.83 35.97 -22.73 -16.04 33.79 -24.25 -16.70 33.47 -23.39 -15.87 35.24 -24.57 -16.98 35.68 -25.68 -15.99 3 0 18.14-999 ?-999 ?-999 ? N6 ADN C 503 mGLU^C 260 32.91 -24.96 -17.39 33.32 -25.63 -18.02 30.80 -26.10 -16.99 31.03 -27.07 -17.71 31.48 -24.76 -17.25 30.93 -24.12 -18.52 2 0 19.64-999 ?-999 ?-999 ? N6 ADN C 503 mILE^C 261 29.97 -26.14 -15.95 29.91 -25.28 -15.44 27.75 -27.00 -15.80 27.24 -26.08 -15.17 29.23 -27.34 -15.59 29.44 -27.73 -14.10 3 0 18.49-999 ?-999 ?-999 ? N6 ADN C 503 mCYH^C 262 27.08 -27.74 -16.67 27.62 -28.46 -17.12 24.85 -28.75 -17.17 25.39 -29.86 -17.20 25.67 -27.49 -16.94 25.52 -26.53 -18.13 2 0 21.24-999 ?-999 ?-999 ? N6 ADN C 503 mARG~C 263 23.55 -28.56 -17.34 23.27 -27.60 -17.28 22.50 -30.50 -16.33 22.84 -29.96 -15.25 22.62 -29.65 -17.58 23.09 -30.51 -18.76 2 0 22.64-999 ?-999 ?-999 ? N6 ADN C 503 mMETD 1 59.49 23.16 36.87 59.68 22.54 37.63 58.33 23.38 34.70 58.06 22.18 34.81 59.19 24.09 35.74 60.50 24.56 35.10 2 0 23.74-999 ?-999 ?-999 ? C5' ADN D 504 mILE^D 2 57.91 24.13 33.69 58.22 25.08 33.72 57.69 23.73 31.24 58.21 24.80 30.90 57.06 23.58 32.63 55.67 24.26 32.64 3 0 23.48-999 ?-999 ?-999 ? C5' ADN D 504 mGLY^D 3 57.64 22.66 30.45 57.21 21.85 30.86 57.03 22.98 28.15 56.21 22.09 27.89 58.17 22.70 29.10-999.99-999.99-999.99 1 0 20.85-999 ?-999 ?-999 ? C5' ADN D 504 mPHE^D 4 56.96 24.20 27.62 57.71 24.79 27.90 56.28 24.45 25.24 57.28 25.00 24.78 55.89 24.62 26.72 55.56 26.09 27.02 3 0 21.67-999 ?-999 ?-999 ? C5' ADN D 504 mLEU^D 5 55.46 23.69 24.51 54.67 23.33 25.01 54.43 23.45 22.26 53.47 22.75 22.59 55.71 23.43 23.09 56.39 22.07 22.94 3 0 21.04-999 ?-999 ?-999 ? C5' ADN D 504 mTHR^D 6 54.41 24.23 21.19 55.25 24.75 21.04 53.58 24.66 18.88 54.75 24.82 18.52 53.23 24.32 20.32 52.23 25.40 20.79 2 0 23.08-999 ?-999 ?-999 ? C5' ADN D 504 mASP~D 7 52.54 24.78 18.05 51.66 24.61 18.49 51.88 26.41 16.43 51.46 26.72 15.32 52.68 25.12 16.64 52.11 24.00 15.77 2 0 -23.24-999 ?-999 ?-999 ? C8 ADN D 504s mTRP~D 8 51.69 27.15 17.52 52.11 26.78 18.35 51.67 29.56 16.86 51.06 30.47 16.29 50.92 28.39 17.48 50.49 28.79 18.90 3 0 -25.21-999 ?-999 ?-999 ? C3' ADN D 504s mGLY~D 9 53.00 29.54 16.97 53.38 28.74 17.43 53.87 31.71 17.53 53.04 31.72 18.44 53.80 30.64 16.46-999.99-999.99-999.99 1 0 22.46-999 ?-999 ?-999 ? C3' ADN D 504 mLEU~D 10 54.84 32.61 17.44 55.46 32.48 16.66 54.45 35.00 17.89 54.61 36.05 18.52 54.97 33.68 18.43 56.43 33.83 18.86 3 0 21.81-999 ?-999 ?-999 ? C3' ADN D 504 mLYS~D 11 53.83 34.95 16.72 53.79 34.04 16.30 51.90 36.41 16.72 51.52 37.55 16.94 53.28 36.14 16.11 53.16 35.97 14.60 2 0 24.15-999 ?-999 ?-999 ? C3' ADN D 504 mSER~D 12 51.16 35.34 17.00 51.59 34.46 16.77 49.91 35.71 19.10 50.97 35.58 19.70 49.83 35.47 17.59 49.01 34.20 17.32 2 0 27.21-999 ?-999 ?-999 ? C3' ADN D 504 mHIS~D 13 48.78 36.06 19.69 47.99 36.13 19.08 48.41 35.02 21.88 48.30 35.01 23.10 48.72 36.31 21.13 47.63 37.35 21.43 3 0 28.74-999 ?-999 ?-999 ? C3' ADN D 504 mTYR~D 14 48.28 33.93 21.13 48.41 34.07 20.15 48.93 32.26 22.87 48.50 32.01 23.99 47.97 32.64 21.74 47.97 31.54 20.66 3 0 28.77-999 ?-999 ?-999 ? C3' ADN D 504 mVAL~D 15 50.22 32.21 22.57 50.44 32.43 21.62 51.12 32.76 24.80 51.27 32.32 25.93 51.22 31.85 23.58 52.65 31.96 23.00 3 0 25.84-999 ?-999 ?-999 ? C5' ADN D 504 mGLY~D 16 50.86 34.04 24.56 50.75 34.28 23.59 49.61 34.74 26.62 49.82 34.75 27.83 50.75 35.00 25.65-999.99-999.99-999.99 1 0 27.37-999 ?-999 ?-999 ? O3' ADN D 504 mVAL~D 17 48.41 34.51 26.10 48.38 34.52 25.10 47.36 32.96 27.73 46.94 32.89 28.88 47.25 34.27 26.95 45.95 34.26 26.13 3 0 30.87-999 ?-999 ?-999 ? C5' ADN D 504 mALA~D 18 47.92 31.94 27.10 48.20 32.12 26.16 48.96 30.84 29.00 48.68 30.29 30.07 48.08 30.65 27.76 48.70 29.64 26.81 2 0 29.61-999 ?-999 ?-999 ? C5' ADN D 504 mLYS~D 19 50.02 31.63 28.84 50.12 32.01 27.92 50.27 32.70 31.04 50.55 32.50 32.22 50.95 31.90 29.93 52.18 32.65 29.42 2 0 27.86-999 ?-999 ?-999 ? C5' ADN D 504 mALA~D 20 49.39 33.61 30.64 49.28 33.68 29.65 47.86 33.49 32.49 47.91 33.59 33.71 48.66 34.43 31.59 47.72 35.38 30.85 2 0 31.11-999 ?-999 ?-999 ? C5' ADN D 504 mVAL~D 21 47.14 32.56 31.86 47.21 32.59 30.86 47.18 30.83 33.59 46.84 30.76 34.77 46.33 31.59 32.58 45.68 30.58 31.61 3 0 33.02-999 ?-999 ?-999 ? C5' ADN D 504 mILE~D 22 48.28 30.27 33.12 48.44 30.41 32.14 49.68 30.37 35.13 49.76 29.91 36.27 49.19 29.51 33.97 50.40 29.00 33.17 3 0 30.83-999 ?-999 ?-999 ? C5' ADN D 504 mLYS~D 23 50.00 31.63 34.84 49.88 31.87 33.88 49.41 32.97 36.85 49.72 33.28 38.01 50.49 32.55 35.86 51.11 33.78 35.20 2 0 31.11-999 ?-999 ?-999 ? C5' ADN D 504 mARG~D 24 48.16 32.99 36.40 48.05 32.74 35.44 46.88 32.24 38.29 46.64 32.48 39.48 47.05 33.36 37.28 45.76 33.55 36.48 2 0 34.86-999 ?-999 ?-999 ? C5' ADN D 504 mILE~D 25 47.01 31.00 37.82 47.19 30.96 36.83 48.09 29.69 39.58 47.95 29.61 40.80 46.88 29.83 38.67 46.76 28.54 37.83 3 0 35.24-999 ?-999 ?-999 ? C5' ADN D 504 mASN~D 26 49.28 29.66 38.99 49.25 29.75 37.99 51.50 30.65 39.42 52.34 30.52 38.53 50.52 29.52 39.75 51.17 28.16 39.44 2 0 32.91-999 ?-999 ?-999 ? C5' ADN D 504 mPRO~D 27 51.41 31.77 40.15 50.69 31.74 40.84 53.77 32.61 39.94 54.57 33.40 39.45 52.28 32.93 39.95 51.89 33.84 41.11 3 0 32.19-999 ?-999 ?-999 ? C5' ADN D 504 mSER~D 28 54.14 31.45 40.48 53.39 30.90 40.84 55.95 30.04 39.48 57.13 29.80 39.26 55.55 31.06 40.53 55.91 30.52 41.92 2 0 29.91-999 ?-999 ?-999 ? C5' ADN D 504 mALA~D 29 54.97 29.42 38.83 54.04 29.70 39.11 56.25 29.01 36.79 56.03 30.09 36.25 55.26 28.43 37.80 53.97 28.02 37.10 2 0 27.96-999 ?-999 ?-999 ? C5' ADN D 504 mGLU~D 30 57.34 28.29 36.55 57.39 27.43 37.07 58.12 28.12 34.23 58.27 26.91 34.04 58.37 28.73 35.61 59.76 28.32 36.12 2 0 24.22-999 ?-999 ?-999 ? C5' ADN D 504 mILE^D 31 57.74 28.97 33.28 57.67 29.92 33.57 58.65 28.66 30.98 59.10 29.77 30.70 57.45 28.52 31.92 56.26 29.30 31.32 3 0 22.64-999 ?-999 ?-999 ? C5' ADN D 504 mILE^D 32 59.16 27.53 30.50 58.69 26.70 30.82 59.85 27.06 28.20 59.49 25.89 28.00 60.30 27.51 29.59 61.41 26.54 30.06 3 0 18.92-999 ?-999 ?-999 ? C5' ADN D 504 mASP^D 33 59.88 27.98 27.25 60.19 28.88 27.55 60.45 26.73 25.20 61.63 27.06 25.04 59.47 27.66 25.89 59.35 28.94 25.06 2 0 17.97-999 ?-999 ?-999 ? C5' ADN D 504 mILE^D 34 59.96 25.56 24.80 59.00 25.40 25.02 60.84 25.16 22.67 61.90 25.38 22.11 60.80 24.61 24.09 60.20 23.20 24.09 3 0 16.21-999 ?-999 ?-999 ? C5' ADN D 504 mTHR^D 35 59.64 25.38 22.12 58.88 25.13 22.72 57.98 26.19 20.52 57.12 25.48 21.03 59.46 25.93 20.78 59.93 24.98 19.67 2 0 16.79-999 ?-999 ?-999 ? C5' ADN D 504 mHIS~D 36 57.71 27.21 19.72 58.51 27.70 19.39 56.26 27.67 17.83 55.21 27.99 17.27 56.34 27.56 19.35 55.95 28.90 20.00 3 0 19.85-999 ?-999 ?-999 ? C5' ADN D 504 mGLU~D 37 57.38 27.38 17.17 58.15 27.11 17.75 57.41 26.09 15.04 58.06 25.89 14.01 57.44 27.45 15.72 58.70 28.21 15.28 2 0 18.50-999 ?-999 ?-999 ? C8 ADN D 504 mVAL~D 38 56.68 25.14 15.61 56.24 25.39 16.47 55.66 24.07 13.79 54.67 24.79 13.90 56.57 23.83 14.98 55.89 22.80 15.90 3 0 19.33-999 ?-999 ?-999 ? C8 ADN D 504 mGLU~D 39 56.00 23.48 12.65 56.83 22.93 12.68 53.72 23.33 11.83 53.45 22.38 12.56 55.18 23.64 11.45 55.65 22.69 10.34 2 0 20.79-999 ?-999 ?-999 ? N7 ADN D 504 mPRO~D 40 52.78 24.14 11.34 53.11 24.88 10.77 50.90 22.48 11.54 51.11 21.83 10.52 51.36 23.93 11.65 50.66 24.85 10.65 3 0 24.55-999 ?-999 ?-999 ? N7 ADN D 504 mPHE~D 41 50.26 21.99 12.60 50.19 22.66 13.34 50.78 19.51 12.57 50.42 18.35 12.44 49.74 20.62 12.68 48.68 20.35 11.59 3 0 -26.48-999 ?-999 ?-999 ? N7 ADN D 504s mASN~D 42 52.06 19.85 12.63 52.24 20.82 12.77 53.48 18.10 13.79 54.51 18.39 14.40 53.10 18.83 12.49 54.36 19.46 11.88 2 0 23.58-999 ?-999 ?-999 ? N7 ADN D 504 mVAL~D 43 52.65 17.13 14.20 51.87 16.99 13.59 54.17 15.53 15.37 54.88 15.41 16.38 52.90 16.37 15.42 51.71 15.42 15.76 3 0 24.62-999 ?-999 ?-999 ? N7 ADN D 504 mARG~D 44 54.46 14.95 14.22 53.80 15.13 13.48 56.91 14.93 14.40 57.79 14.44 15.10 55.65 14.13 14.06 55.76 13.61 12.62 2 0 22.96-999 ?-999 ?-999 ? N7 ADN D 504 mLYS~D 45 56.98 16.16 13.91 56.19 16.42 13.35 58.13 17.40 15.65 59.17 17.39 16.30 58.12 17.02 14.17 58.01 18.29 13.31 2 0 19.47-999 ?-999 ?-999 ? N7 ADN D 504 mALA~D 46 56.95 17.71 16.17 56.18 17.67 15.53 57.19 16.93 18.50 57.72 17.16 19.58 56.82 18.09 17.57 55.40 18.54 17.85 2 0 20.68-999 ?-999 ?-999 ? C8 ADN D 504 mSER~D 47 56.94 15.70 18.06 56.53 15.65 17.15 58.76 14.35 19.04 59.24 13.93 20.09 57.26 14.53 18.89 56.63 13.26 18.29 2 0 22.07-999 ?-999 ?-999 ? N7 ADN D 504 mHIS~D 48 59.51 14.67 17.99 58.99 14.98 17.19 61.55 15.71 18.85 62.43 15.49 19.68 60.96 14.56 18.02 61.53 14.61 16.61 3 0 18.81-999 ?-999 ?-999 ? N7 ADN D 504 mVAL~D 49 61.06 16.92 18.61 60.36 16.96 17.90 61.31 17.91 20.84 62.19 18.20 21.66 61.55 18.08 19.34 60.86 19.37 18.88 3 0 16.86-999 ?-999 ?-999 ? C8 ADN D 504 mLEU~D 50 60.12 17.43 21.20 59.51 17.23 20.43 60.77 16.31 23.30 61.37 16.69 24.31 59.76 17.21 22.60 58.38 16.57 22.68 3 0 19.19-999 ?-999 ?-999 ? C5' ADN D 504 mTYR~D 51 60.95 15.11 22.77 60.39 14.93 21.95 63.27 14.72 23.53 63.80 14.72 24.64 61.87 14.15 23.34 61.96 12.91 22.45 3 0 19.23-999 ?-999 ?-999 ? O5' ADN D 504 mARG~D 52 63.86 15.21 22.45 63.31 15.17 21.62 65.36 16.93 23.47 66.44 17.16 24.01 65.21 15.76 22.50 65.64 16.15 21.10 2 0 15.52-999 ?-999 ?-999 ? O5' ADN D 504 mALA~D 53 64.28 17.67 23.69 63.46 17.40 23.19 64.20 18.30 26.05 64.88 18.77 26.95 64.34 18.80 24.61 63.24 19.80 24.29 2 0 15.08-999 ?-999 ?-999 ? O5' ADN D 504 mSER~D 54 63.32 17.32 26.24 62.86 17.01 25.41 64.32 16.20 28.22 64.46 16.24 29.45 63.06 16.76 27.57 62.00 15.66 27.49 2 0 18.17-999 ?-999 ?-999 ? O5' ADN D 504 mLEU~D 55 65.23 15.69 27.40 64.98 15.74 26.43 67.26 16.08 28.78 68.11 15.65 29.56 66.48 15.12 27.88 67.35 14.70 26.70 3 0 16.83-999 ?-999 ?-999 ? O5' ADN D 504 mASP~D 56 66.99 17.37 28.66 66.27 17.59 28.00 66.82 18.99 30.54 67.21 19.95 31.19 67.69 18.37 29.46 68.25 19.47 28.55 2 0 15.17-999 ?-999 ?-999 ? O5' ADN D 504 mPHE~D 57 65.64 18.42 30.72 65.44 17.67 30.09 64.81 17.85 32.87 64.87 16.65 32.61 64.71 18.88 31.75 63.28 18.93 31.20 3 0 18.35-999 ?-999 ?-999 ? O5' ADN D 504 mPRO~D 58 64.83 18.30 34.14 64.79 19.30 34.23 63.60 16.67 35.53 62.56 17.08 35.02 64.92 17.39 35.28 65.29 18.32 36.43 3 0 21.22-999 ?-999 ?-999 ? O5' ADN D 504 mPRO~D 59 63.63 15.59 36.31 64.53 15.33 36.67 61.38 15.81 37.26 61.76 16.84 37.82 62.38 14.88 36.57 62.82 13.71 37.45 3 0 24.63-999 ?-999 ?-999 ? O5' ADN D 504 mSER~D 60 60.11 15.45 37.18 59.97 14.58 36.70 58.64 17.40 36.85 57.72 18.16 37.15 59.01 16.23 37.76 59.38 16.75 39.16 2 0 27.02-999 ?-999 ?-999 ? O5' ADN D 504 mTHR~D 61 59.36 17.56 35.75 60.09 16.89 35.62 57.72 18.37 34.14 57.46 17.26 33.69 59.06 18.64 34.82 60.16 18.80 33.74 2 0 24.35-999 ?-999 ?-999 ? O5' ADN D 504 mVAL^D 62 56.88 19.40 34.09 57.22 20.24 34.51 55.64 19.84 32.04 55.87 21.03 31.84 55.58 19.27 33.46 54.49 20.03 34.26 3 0 26.03-999 ?-999 ?-999 ? C5' ADN D 504 mPHE^D 63 55.45 18.97 31.05 55.29 18.03 31.36 54.11 19.68 29.08 53.22 18.83 29.08 55.49 19.37 29.65 56.17 18.28 28.82 3 0 24.22-999 ?-999 ?-999 ? C5' ADN D 504 mLEU^D 64 53.94 20.90 28.59 54.75 21.48 28.68 52.89 21.30 26.47 53.39 22.26 25.87 52.69 21.34 27.99 52.35 22.77 28.45 3 0 25.57-999 ?-999 ?-999 ? C5' ADN D 504 mVAL^D 65 52.51 20.18 25.88 52.12 19.50 26.51 51.32 20.15 23.72 50.40 19.34 23.88 52.65 19.94 24.44 53.13 18.50 24.17 3 0 24.98-999 ?-999 ?-999 ? C5' ADN D 504 mVAL^D 66 51.23 21.20 22.92 52.05 21.76 22.84 50.08 21.74 20.70 50.27 22.88 20.25 49.99 21.47 22.21 49.22 22.65 22.87 3 0 -26.84-999 ?-999 ?-999 ? C5' ADN D 504s mVAL~D 67 49.95 20.67 19.93 49.87 19.82 20.46 48.67 19.84 18.32 48.73 18.63 18.09 49.92 20.69 18.47 51.14 19.98 17.85 3 0 -26.66-999 ?-999 ?-999 ? C8 ADN D 504s mASP~D 68 47.52 20.50 18.46 47.63 21.48 18.56 45.23 20.21 17.38 44.27 20.95 17.62 46.23 19.82 18.48 45.66 20.05 19.89 2 0 -30.41-999 ?-999 ?-999 ? C8 ADN D 504s mTYR~D 69 45.44 19.68 16.17 46.24 19.09 16.12 43.19 19.33 15.26 42.18 19.78 14.71 44.55 19.98 15.05 45.18 19.49 13.73 3 0 -31.09-999 ?-999 ?-999 ? O5' ADN B 502s mGLY~D 70 43.17 18.27 16.06 44.05 18.00 16.44 41.15 18.25 17.46 40.14 17.74 17.93 41.92 17.58 16.34-999.99-999.99-999.99 1 0 27.57-999 ?-999 ?-999 ? O5' ADN B 502 mVAL~D 71 41.63 19.41 17.89 42.46 19.72 17.42 39.47 20.27 18.71 39.03 20.51 17.58 40.97 20.16 18.95 41.55 21.59 19.09 3 0 27.03-999 ?-999 ?-999 ? O5' ADN B 502 mGLY~D 72 38.69 20.08 19.77 39.17 19.88 20.62 36.58 18.87 19.21 35.35 18.77 19.23 37.24 20.16 19.65-999.99-999.99-999.99 1 0 23.62-999 ?-999 ?-999 ? O5' ADN B 502 mTHR~D 73 37.38 17.89 18.81 38.36 18.09 18.83 36.81 15.59 19.50 37.05 15.92 20.66 36.83 16.61 18.37 37.63 16.01 17.20 2 0 22.09-999 ?-999 ?-999 ? O5' ADN B 502 mSER~D 74 36.54 14.34 19.14 36.40 14.21 18.16 37.84 12.82 20.64 37.93 12.08 21.62 36.48 13.26 20.12 35.75 12.05 19.52 2 0 20.49-999 ?-999 ?-999 ? O5' ADN B 502 mARG~D 75 38.91 13.27 19.98 38.71 13.85 19.20 40.38 13.22 21.90 39.86 14.23 22.36 40.26 12.90 20.41 41.31 13.67 19.60 2 0 24.06-999 ?-999 ?-999 ? O5' ADN B 502 mLYS~D 76 41.05 12.35 22.65 41.42 11.58 22.14 42.25 13.56 24.49 43.22 13.79 23.77 41.21 12.53 24.09 41.58 11.20 24.75 2 0 23.52-999 ?-999 ?-999 ? C2 ADN B 502 mALA^D 77 42.02 14.17 25.64 41.17 13.90 26.08 43.51 14.36 27.40 42.76 13.87 28.25 42.93 15.15 26.23 42.16 16.35 26.73 2 0 25.15-999 ?-999 ?-999 ? C2 ADN B 502 mILE^D 78 44.83 14.23 27.45 45.35 14.70 26.74 46.71 13.96 29.14 47.31 14.92 28.66 45.43 13.42 28.51 45.74 12.02 27.97 3 0 26.78-999 ?-999 ?-999 ? C2 ADN B 502 mVAL^D 79 47.10 13.30 30.23 46.48 12.57 30.50 49.07 12.30 31.08 48.52 11.30 31.55 48.32 13.62 30.96 48.04 14.13 32.39 3 0 29.48-999 ?-999 ?-999 ? C2 ADN B 502 mMETD 80 50.33 12.29 30.66 50.66 13.17 30.31 52.36 11.21 31.58 53.05 12.23 31.56 51.13 11.07 30.71 51.57 10.67 29.30 2 0 31.54-999 ?-999 ?-999 ? O5' ADN D 504 mLYS^D 81 52.62 10.16 32.36 51.96 9.42 32.30 54.68 9.01 32.68 54.24 7.87 32.54 53.79 10.12 33.22 53.40 9.81 34.67 2 0 30.89-999 ?-999 ?-999 ? O5' ADN D 504 mTHR^D 82 55.92 9.36 32.36 56.13 10.33 32.51 57.73 7.82 32.98 57.69 8.31 34.10 56.87 8.39 31.84 57.78 9.04 30.78 2 0 29.02-999 ?-999 ?-999 ? O5' ADN D 504 mLYS~D 83 58.51 6.79 32.67 58.46 6.51 31.71 60.60 6.94 34.07 61.44 6.44 34.81 59.36 6.14 33.67 59.78 4.76 33.17 2 0 29.62-999 ?-999 ?-999 ? O5' ADN D 504 mASN~D 84 60.73 8.16 33.58 59.99 8.46 32.96 61.40 10.11 34.85 62.11 11.09 35.08 61.88 8.98 33.94 62.58 9.53 32.69 2 0 26.47-999 ?-999 ?-999 ? O5' ADN D 504 mASP~D 85 60.19 9.94 35.36 59.74 9.10 35.05 59.19 12.23 35.63 59.33 13.28 36.26 59.57 10.90 36.26 60.47 11.14 37.48 2 0 28.06-999 ?-999 ?-999 ? O5' ADN D 504 mGLN~D 86 58.72 12.20 34.39 58.67 11.29 33.98 56.82 13.34 33.36 56.30 12.24 33.12 58.30 13.43 33.73 59.15 13.70 32.48 2 0 26.23-999 ?-999 ?-999 ? O5' ADN D 504 mTYR^D 87 56.16 14.49 33.31 56.72 15.29 33.51 54.45 15.27 31.68 55.13 16.24 31.33 54.74 14.55 32.99 54.01 15.23 34.15 3 0 28.07-999 ?-999 ?-999 ? O5' ADN D 504 mPHE^D 88 53.44 14.80 30.96 52.98 14.01 31.36 51.57 15.64 29.55 50.77 14.70 29.53 53.07 15.39 29.68 53.55 14.51 28.53 3 0 27.69-999 ?-999 ?-999 ? C5' ADN D 504 mVAL^D 89 51.21 16.91 29.48 51.97 17.56 29.55 49.66 17.61 27.83 50.15 18.63 27.35 49.82 17.32 29.32 49.51 18.60 30.12 3 0 29.68-999 ?-999 ?-999 ? C5' ADN D 504 mALA^D 90 48.98 16.72 27.11 48.63 15.94 27.62 47.64 16.13 25.10 47.03 15.31 25.78 48.81 16.92 25.68 50.10 16.54 24.96 2 0 29.71-999 ?-999 ?-999 ? C5' ADN D 504 mPRO^D 91 47.31 16.39 23.82 47.86 17.09 23.37 46.64 14.27 22.79 47.83 14.02 22.55 46.20 15.68 23.17 45.91 16.54 21.94 3 0 29.11-999 ?-999 ?-999 ? C2 ADN B 502 mASP~D 92 45.69 13.35 22.74 44.78 13.69 22.96 46.08 11.81 20.86 45.24 11.18 20.24 45.97 11.96 22.39 44.84 11.06 22.91 2 0 28.44-999 ?-999 ?-999 ? C2 ADN B 502 mASN~D 93 47.13 12.40 20.27 47.75 12.88 20.89 48.67 11.80 18.37 49.03 11.93 17.20 47.30 12.32 18.82 47.05 13.68 18.16 2 0 31.04-999 ?-999 ?-999 ? C2 ADN B 502 mGLY~D 94 49.42 11.23 19.31 49.02 11.21 20.22 51.89 11.62 19.12 53.02 11.27 18.80 50.72 10.67 18.97-999.99-999.99-999.99 1 0 29.49-999 ?-999 ?-999 ? N7 ADN D 504 mVAL~D 95 51.63 12.83 19.61 50.67 13.00 19.83 53.63 13.35 20.91 54.79 13.76 20.97 52.70 13.80 19.78 52.14 15.21 20.10 3 0 26.51-999 ?-999 ?-999 ? C8 ADN D 504 mLEU~D 96 53.12 12.48 21.78 52.17 12.24 21.60 54.54 10.62 22.54 55.12 9.96 23.39 53.90 11.96 22.90 53.00 11.76 24.12 3 0 26.90-999 ?-999 ?-999 ? C5' ADN D 504 mTHR~D 97 54.44 10.24 21.27 53.96 10.90 20.69 56.42 8.68 21.20 56.69 7.64 21.81 54.98 8.97 20.80 54.89 8.88 19.25 2 0 27.38-999 ?-999 ?-999 ? N7 ADN D 504 mVAL~D 98 57.33 9.59 20.87 56.95 10.39 20.41 59.14 9.27 22.63 59.80 8.30 23.00 58.75 9.41 21.16 59.58 10.54 20.53 3 0 24.37-999 ?-999 ?-999 ? O5' ADN D 504 mVAL~D 99 58.76 10.23 23.46 58.24 10.98 23.05 58.54 8.88 25.50 59.15 8.30 26.40 59.12 10.15 24.87 58.60 11.38 25.66 3 0 24.10-999 ?-999 ?-999 ? O5' ADN D 504 mALA~D 100 57.38 8.46 25.00 57.01 9.02 24.27 57.57 6.02 25.25 57.72 5.17 26.12 56.73 7.26 25.51 55.35 7.11 24.88 2 0 27.85-999 ?-999 ?-999 ? O5' ADN D 504 mGLU~D 101 58.13 5.93 24.04 57.94 6.70 23.43 60.37 4.86 24.18 61.07 3.85 24.23 58.94 4.78 23.67 58.95 4.60 22.15 2 0 27.76-999 ?-999 ?-999 ? O5' ADN D 504 mGLU~D 102 60.82 6.05 24.56 60.15 6.79 24.47 62.26 6.20 26.57 63.26 5.76 27.14 62.18 6.22 25.05 62.78 7.53 24.54 2 0 24.88-999 ?-999 ?-999 ? O5' ADN D 504 mTYR~D 103 61.21 6.68 27.23 60.47 7.00 26.65 60.27 5.63 29.25 60.39 5.26 30.42 61.19 6.71 28.68 60.71 8.08 29.18 3 0 26.11-999 ?-999 ?-999 ? O5' ADN D 504 mGLY~D 104 59.36 5.13 28.43 59.37 5.49 27.50 57.28 4.81 29.60 57.47 5.82 30.27 58.43 4.12 28.89-999.99-999.99-999.99 1 0 29.74-999 ?-999 ?-999 ? O5' ADN D 504 mVAL^D 105 56.07 4.26 29.47 56.05 3.43 28.91 54.66 4.36 31.51 54.52 3.16 31.74 54.91 4.86 30.10 53.63 4.62 29.27 3 0 31.93-999 ?-999 ?-999 ? O5' ADN D 504 mALA^D 106 54.60 5.29 32.46 54.75 6.22 32.13 52.84 4.91 34.06 52.27 3.87 34.38 54.35 4.94 33.85 54.99 5.97 34.78 2 0 33.65-999 ?-999 ?-999 ? O5' ADN D 504 mGLU^D 107 52.19 6.06 33.85 52.77 6.82 33.57 50.11 7.18 33.08 50.71 8.20 32.76 50.74 6.16 34.02 50.43 6.51 35.48 2 0 31.62-999 ?-999 ?-999 ? C2 ADN B 502 mILE^D 108 48.88 6.90 32.65 48.51 6.04 33.00 46.76 8.14 32.23 45.90 7.28 32.39 48.15 7.78 31.73 48.00 7.14 30.34 3 0 28.86-999 ?-999 ?-999 ? C2 ADN B 502 mARG^D 109 46.53 9.43 32.44 47.32 10.02 32.25 44.55 10.72 31.80 45.20 11.34 30.96 45.24 9.93 32.90 45.44 10.84 34.12 2 0 26.01-999 ?-999 ?-999 ? C2 ADN B 502 mGLU^D 110 43.22 10.69 31.80 42.81 10.14 32.53 41.93 12.69 31.49 41.34 12.61 32.57 42.46 11.43 30.81 41.29 10.59 30.30 2 0 23.36-999 ?-999 ?-999 ? C2 ADN B 502 mILE~D 111 42.15 13.84 30.87 42.65 13.76 30.01 40.18 15.04 31.63 39.43 15.10 30.66 41.69 15.10 31.44 42.02 16.28 30.51 3 0 23.35-999 ?-999 ?-999 ? C2 ADN B 502 mGLU~D 112 39.74 14.90 32.87 40.45 14.87 33.57 37.85 15.76 34.27 36.67 16.10 34.35 38.31 14.82 33.16 37.94 13.38 33.53 2 0 20.10-999 ?-999 ?-999 ? C2 ADN B 502 mASN~D 113 38.78 16.18 35.11 39.70 15.84 34.92 38.23 18.50 35.75 39.16 19.31 35.74 38.45 17.06 36.22 39.57 17.02 37.27 2 0 21.49-999 ?-999 ?-999 ? C2 ADN B 502 mARG~D 114 37.00 18.81 35.37 36.34 18.06 35.44 37.00 21.24 35.92 36.96 22.43 35.60 36.66 20.15 34.91 35.17 20.23 34.56 2 0 21.18-999 ?-999 ?-999 ? C2 ADN B 502 mGLU~D 115 37.34 20.83 37.13 37.34 19.84 37.26 39.08 22.38 37.94 39.47 23.35 38.57 37.69 21.80 38.17 37.61 21.14 39.55 2 0 23.53-999 ?-999 ?-999 ? N1 ADN B 502 mLEU~D 116 39.81 21.76 37.02 39.35 20.99 36.58 41.14 23.15 35.48 42.13 23.83 35.20 41.16 22.20 36.68 42.03 20.98 36.37 3 0 26.30-999 ?-999 ?-999 ? C2 ADN B 502 mPHE~D 117 40.01 23.18 34.78 39.30 22.59 35.14 39.90 25.52 33.84 39.68 26.00 34.96 39.84 24.02 33.59 38.51 23.69 32.92 3 0 25.84-999 ?-999 ?-999 ? C2 ADN B 502 mTYR~D 118 40.19 26.27 32.78 40.35 25.75 31.95 38.83 28.25 32.74 38.47 29.23 33.40 40.26 27.72 32.85 41.11 28.27 31.71 3 0 28.46-999 ?-999 ?-999 ? N1 ADN B 502 mLYS~D 119 38.04 27.60 31.90 38.49 26.84 31.43 35.79 26.72 31.94 36.15 25.62 31.50 36.64 27.96 31.69 36.39 28.41 30.24 2 0 25.99-999 ?-999 ?-999 ? N1 ADN B 502 mLYS~D 120 34.67 26.88 32.64 34.50 27.81 32.95 33.20 25.25 31.59 32.79 24.10 31.47 33.81 25.74 32.91 32.71 26.12 33.90 2 0 22.43-999 ?-999 ?-999 ? N1 ADN B 502 mASN~D 121 33.17 26.15 30.61 33.53 27.04 30.86 33.68 26.26 28.27 33.55 27.30 27.63 32.63 25.83 29.30 31.32 26.59 29.07 2 0 21.95-999 ?-999 ?-999 ? N1 ADN B 502 mPRO~D 122 34.75 25.45 28.11 34.69 24.65 28.70 35.53 25.95 25.74 34.49 25.52 25.24 35.88 25.66 27.19 36.67 24.35 27.33 3 0 24.29-999 ?-999 ?-999 ? C2 ADN B 502 mSER~D 123 36.42 26.68 25.06 37.21 26.96 25.59 36.24 25.74 22.83 36.70 24.70 23.30 36.21 27.01 23.65 37.31 27.96 23.16 2 0 26.34-999 ?-999 ?-999 ? C2 ADN B 502 mPHE~D 124 35.75 25.81 21.60 35.41 26.72 21.34 37.08 24.41 20.05 37.38 23.28 19.65 35.73 24.65 20.72 34.68 24.82 19.62 3 0 24.67-999 ?-999 ?-999 ? O5' ADN B 502 mTHR~D 125 37.90 25.45 19.95 37.57 26.30 20.36 40.46 25.79 19.96 41.50 25.87 19.31 39.18 25.31 19.27 39.13 26.00 17.88 2 0 -27.99-999 ?-999 ?-999 ? O5' ADN B 502s mPHE~D 126 40.40 26.09 21.26 39.50 25.99 21.68 41.76 25.81 23.31 41.89 26.44 24.36 41.61 26.53 21.96 41.59 28.05 22.16 3 0 -30.29-999 ?-999 ?-999 ? C2 ADN B 502s mHIS~D 127 41.72 24.49 23.26 41.60 24.10 22.35 43.20 23.94 25.11 43.41 23.63 26.28 41.85 23.68 24.47 41.69 22.20 24.14 3 0 28.13-999 ?-999 ?-999 ? C2 ADN B 502 mGLY~D 128 44.12 24.51 24.34 43.83 24.71 23.40 45.35 25.79 26.00 46.18 25.77 26.91 45.44 24.80 24.86-999.99-999.99-999.99 1 0 31.27-999 ?-999 ?-999 ? C5' ADN D 504 mARG~D 129 44.33 26.65 25.96 43.72 26.53 25.18 43.14 27.28 28.07 43.35 27.54 29.25 44.14 27.66 26.99 43.67 28.98 26.37 2 0 31.73-999 ?-999 ?-999 ? C2 ADN B 502 mASP~D 130 42.03 26.67 27.65 41.99 26.50 26.67 41.17 24.96 29.29 40.52 24.69 30.30 40.98 26.31 28.59 39.62 26.34 27.88 2 0 28.24-999 ?-999 ?-999 ? C2 ADN B 502 mILE~D 131 42.05 24.11 28.76 42.53 24.45 27.95 43.74 22.52 29.69 44.15 22.55 30.85 42.28 22.81 29.36 41.79 21.68 28.44 3 0 27.18-999 ?-999 ?-999 ? C2 ADN B 502 mPHE~D 132 44.51 22.24 28.65 44.04 22.27 27.77 46.72 22.86 29.68 47.30 22.44 30.68 45.92 21.91 28.79 46.57 21.81 27.41 3 0 29.96-999 ?-999 ?-999 ? C2 ADN B 502 mALA~D 133 46.77 24.13 29.31 46.26 24.35 28.48 47.19 25.04 31.58 48.06 24.74 32.40 47.53 25.11 30.08 47.27 26.52 29.54 2 0 30.63-999 ?-999 ?-999 ? C5' ADN D 504 mPRO~D 134 45.92 25.31 31.95 45.30 25.53 31.20 45.86 23.93 34.06 46.25 23.92 35.23 45.54 25.26 33.36 44.04 25.57 33.33 3 0 31.20-999 ?-999 ?-999 ? C2 ADN B 502 mVAL~D 135 45.72 22.82 33.35 45.40 22.96 32.41 47.51 21.42 34.24 47.89 20.97 35.32 46.02 21.52 33.92 45.63 20.37 32.97 3 0 29.82-999 ?-999 ?-999 ? C2 ADN B 502 mALA~D 136 48.34 21.84 33.29 47.89 22.18 32.46 50.21 22.72 34.62 51.17 22.42 35.34 49.78 21.81 33.47 50.48 22.23 32.18 2 0 30.32-999 ?-999 ?-999 ? C5' ADN D 504 mALA~D 137 49.50 23.83 34.78 48.76 23.95 34.12 49.57 24.10 37.20 50.34 24.28 38.14 49.81 24.77 35.85 48.93 26.01 35.72 2 0 31.16-999 ?-999 ?-999 ? C5' ADN D 504 mHIS~D 138 48.49 23.32 37.27 47.96 23.27 36.43 49.11 21.49 38.81 49.66 21.43 39.91 48.13 22.61 38.49 46.72 22.06 38.38 3 0 32.84-999 ?-999 ?-999 ? C2 ADN B 502 mLEU~D 139 49.33 20.60 37.84 48.82 20.77 37.00 51.62 19.99 38.47 52.22 19.46 39.40 50.25 19.49 38.04 50.38 18.68 36.75 3 0 32.75-999 ?-999 ?-999 ? C5' ADN D 504 mASP~D 140 52.11 21.01 37.78 51.51 21.34 37.05 53.46 22.13 39.50 54.52 22.17 40.13 53.41 21.59 38.08 53.71 22.73 37.11 2 0 29.91-999 ?-999 ?-999 ? C5' ADN D 504 mMETD 141 52.30 22.54 40.00 51.53 22.43 39.38 52.13 22.05 42.44 52.30 22.37 43.61 52.18 23.11 41.33 50.94 24.00 41.38 2 0 32.74-999 ?-999 ?-999 ? C5' ADN D 504 mGLY~D 142 51.88 20.80 42.06 51.75 20.66 41.08 50.61 18.85 42.99 50.55 17.82 43.66 51.84 19.74 43.05-999.99-999.99-999.99 1 0 34.67-999 ?-999 ?-999 ? C5' ADN D 504 mLEU~D 143 49.63 19.24 42.19 49.80 20.10 41.70 48.69 16.99 41.78 49.54 16.65 40.95 48.40 18.46 42.06 47.53 19.02 40.93 3 0 32.48-999 ?-999 ?-999 ? C2 ADN B 502 mPRO~D 144 47.98 16.08 42.48 47.34 16.49 43.12 47.64 14.17 40.94 46.56 14.56 40.50 48.14 14.63 42.31 47.30 14.06 43.45 3 0 31.37-999 ?-999 ?-999 ? C2 ADN B 502 mLEU~D 145 48.43 13.34 40.28 49.27 13.10 40.77 46.77 12.05 38.96 46.08 11.98 37.94 48.09 12.82 38.96 49.21 11.92 38.45 3 0 30.02-999 ?-999 ?-999 ? C2 ADN B 502 mGLU~D 146 46.43 11.48 40.11 47.09 11.64 40.85 43.94 11.52 40.12 42.95 11.04 39.56 45.21 10.70 40.26 45.23 9.98 41.62 2 0 27.40-999 ?-999 ?-999 ? C2 ADN B 502 mARG~D 147 43.95 12.74 40.63 44.81 13.02 41.06 42.72 14.43 39.27 42.37 15.60 39.29 42.77 13.60 40.55 42.68 14.50 41.78 2 0 25.62-999 ?-999 ?-999 ? C2 ADN B 502 mVAL~D 148 43.06 13.79 38.16 43.34 12.84 38.30 41.98 13.73 36.02 41.30 14.35 35.19 43.04 14.43 36.85 44.42 14.30 36.14 3 0 25.03-999 ?-999 ?-999 ? C2 ADN B 502 mGLY~D 149 41.83 12.43 36.25 42.44 12.06 36.95 41.22 10.17 35.60 42.32 9.83 36.03 40.85 11.64 35.53-999.99-999.99-999.99 1 0 22.13-999 ?-999 ?-999 ? C2 ADN B 502 mASP~D 150 40.31 9.30 35.20 39.45 9.70 34.88 41.83 7.54 34.44 42.37 8.40 33.75 40.58 7.87 35.24 39.39 7.08 34.69 2 0 21.59-999 ?-999 ?-999 ? C2 ADN B 502 mARG~D 151 42.30 6.30 34.55 41.77 5.71 35.15 43.09 5.38 32.44 41.92 5.16 32.17 43.49 5.87 33.83 44.19 4.74 34.58 2 0 24.43-999 ?-999 ?-999 ? C2 ADN B 502 mLEU~D 152 44.08 5.20 31.57 44.99 5.43 31.93 44.87 3.67 29.86 46.07 3.88 30.01 43.84 4.73 30.22 43.91 5.89 29.22 3 0 24.86-999 ?-999 ?-999 ? C2 ADN B 502 mLEU~D 153 44.40 2.52 29.38 43.41 2.49 29.30 46.35 1.80 27.99 47.53 1.56 28.21 45.29 1.42 29.01 44.48 0.23 28.47 3 0 27.05-999 ?-999 ?-999 ? C2 ADN B 502 mSER~D 154 45.92 2.38 26.88 44.93 2.53 26.83 46.70 4.20 25.34 45.94 4.98 25.91 46.87 2.77 25.83 46.75 1.81 24.64 2 0 28.74-999 ?-999 ?-999 ? C2 ADN B 502 mTYR~D 155 47.43 4.53 24.27 47.98 3.78 23.91 47.76 5.80 22.20 48.44 4.87 21.76 47.40 5.86 23.69 48.40 6.75 24.43 3 0 29.32-999 ?-999 ?-999 ? C2 ADN B 502 mGLU~D 156 47.32 6.80 21.44 46.79 7.49 21.93 49.11 6.98 19.76 49.81 7.72 20.46 47.61 6.86 20.01 46.89 8.05 19.38 2 0 30.65-999 ?-999 ?-999 ? C2 ADN B 502 mVAL~D 157 49.60 6.25 18.77 48.92 5.70 18.28 51.26 6.58 16.97 50.52 6.11 16.09 51.02 6.26 18.43 51.68 4.90 18.73 3 0 31.55-999 ?-999 ?-999 ? N7 ADN D 504 mLEU~D 158 52.29 7.36 16.70 52.80 7.68 17.50 53.54 6.64 14.76 54.41 6.12 15.46 52.63 7.72 15.33 53.37 9.06 15.29 3 0 29.03-999 ?-999 ?-999 ? N7 ADN D 504 mLYS~D 159 53.33 6.31 13.49 52.58 6.80 13.05 55.56 5.86 12.70 55.76 7.03 12.39 54.15 5.31 12.82 53.59 5.01 11.43 2 0 29.33-999 ?-999 ?-999 ? N7 ADN D 504 mMETD 160 56.55 5.01 12.95 56.25 4.08 13.20 58.90 4.25 12.67 59.17 3.49 13.60 57.94 5.41 12.85 58.35 6.21 14.09 2 0 26.58-999 ?-999 ?-999 ? N7 ADN D 504 mARG~D 161 59.42 4.12 11.45 59.11 4.81 10.80 61.64 3.23 11.91 62.27 4.29 11.87 60.35 3.06 11.12 60.66 3.08 9.62 2 0 26.86-999 ?-999 ?-999 ? N6 ADN D 504 mLYS~D 162 62.03 2.18 12.64 61.42 1.39 12.59 64.43 2.25 12.47 64.47 1.50 11.50 63.25 2.21 13.43 63.34 0.97 14.31 2 0 26.04-999 ?-999 ?-999 ? N6 ADN D 504 mPRO~D 163 65.39 3.15 12.71 65.26 3.72 13.52 67.38 1.96 11.86 67.61 1.38 12.92 66.55 3.23 11.82 67.31 4.44 12.35 3 0 23.43-999 ?-999 ?-999 ? N6 ADN D 504 mVAL^D 164 67.83 1.51 10.69 67.56 2.06 9.90 70.12 0.70 10.72 70.58 1.60 10.02 68.65 0.31 10.60 68.42 -0.44 9.27 3 0 25.28-999 ?-999 ?-999 ? N6 ADN D 504 mVAL^D 165 70.84 0.04 11.61 70.34 -0.66 12.12 73.05 -0.97 11.89 73.07 -1.63 12.92 72.25 0.33 11.81 72.49 1.12 13.13 3 0 24.36-999 ?-999 ?-999 ? N6 ADN D 504 mGLU^D 166 73.70 -1.34 10.79 73.58 -0.71 10.02 75.70 -2.34 9.82 75.70 -1.44 8.99 74.50 -2.55 10.74 73.67 -3.73 10.23 2 0 26.87-999 ?-999 ?-999 ? N6 ADN D 504 mASN~D 167 76.72 -3.19 9.98 76.58 -3.88 10.69 77.64 -3.11 7.67 78.46 -2.67 6.86 77.93 -3.09 9.16 78.89 -4.23 9.49 2 0 27.35-999 ?-999 ?-999 ? N6 ADN D 504 mGLU~D 168 76.47 -3.63 7.31 75.90 -3.95 8.06 74.98 -2.73 5.54 74.53 -2.70 4.39 76.09 -3.71 5.91 75.65 -5.14 5.57 2 0 28.31-999 ?-999 ?-999 ? N6 ADN D 504 mLYS^D 169 74.52 -1.94 6.51 74.95 -2.07 7.40 73.04 -0.07 7.39 72.71 -0.53 8.49 73.47 -0.97 6.24 72.23 -1.66 5.65 2 0 25.77-999 ?-999 ?-999 ? N6 ADN D 504 mVAL^D 170 73.03 1.23 7.12 73.34 1.45 6.19 71.71 3.21 7.35 72.17 4.01 6.53 72.62 2.23 8.08 73.84 2.97 8.69 3 0 22.52-999 ?-999 ?-999 ? N6 ADN D 504 mILE^D 171 70.41 3.12 7.62 70.18 2.41 8.28 68.49 4.59 8.01 68.13 3.95 9.00 69.43 3.99 6.98 68.58 3.22 5.93 3 0 21.84-999 ?-999 ?-999 ? N6 ADN D 504 mGLY^D 172 68.09 5.83 7.76 68.47 6.23 6.92 66.50 7.63 7.84 66.46 7.58 6.61 67.17 6.53 8.64-999.99-999.99-999.99 1 0 20.27-999 ?-999 ?-999 ? N6 ADN D 504 mGLU^D 173 65.95 8.61 8.55 66.03 8.51 9.54 65.60 11.01 8.66 65.92 10.96 9.85 65.29 9.73 7.89 63.78 9.51 7.84 2 0 18.74-999 ?-999 ?-999 ? N6 ADN D 504 mVAL^D 174 65.53 12.14 7.97 65.27 12.03 7.01 64.69 13.73 9.60 63.50 13.70 9.26 65.80 13.43 8.60 65.86 14.55 7.55 3 0 15.59-999 ?-999 ?-999 ? N6 ADN D 504 mALA^D 175 65.08 14.00 10.84 66.07 13.99 10.98 63.92 15.80 12.06 62.80 16.26 12.24 64.11 14.30 11.88 64.56 13.67 13.21 2 0 15.98-999 ?-999 ?-999 ? N7 ADN D 504 mILE^D 176 65.01 16.55 11.99 65.86 16.05 11.83 66.04 18.73 11.41 67.19 18.29 11.39 64.93 17.99 12.16 65.04 18.39 13.66 3 0 13.04-999 ?-999 ?-999 ? N7 ADN D 504 mVAL^D 177 65.67 19.84 10.77 64.69 20.03 10.84 66.54 21.98 10.86 65.48 22.60 10.95 66.61 20.69 10.06 66.15 20.98 8.61 3 0 10.71-999 ?-999 ?-999 ? N7 ADN D 504 mASP~D 178 67.66 22.40 11.45 68.46 21.82 11.30 67.88 24.89 11.46 68.03 24.85 10.23 67.66 23.62 12.26 68.69 23.53 13.39 2 0 8.36-999 ?-999 ?-999 ? N7 ADN D 504 mTHR~D 179 67.92 26.02 12.16 67.80 25.88 13.14 69.39 27.44 10.73 69.50 28.27 9.82 68.10 27.33 11.54 68.10 28.45 12.60 2 0 8.25-999 ?-999 ?-999 ? N7 ADN D 504 mPHE~D 180 70.38 26.62 11.07 70.16 26.01 11.84 71.56 25.79 9.11 72.37 25.92 8.20 71.65 26.64 10.37 72.75 26.09 11.28 3 0 -5.34-999 ?-999 ?-999 ? N7 ADN D 504s mGLY~D 181 70.55 24.93 9.08 69.95 24.94 9.88 71.01 22.71 8.22 71.25 21.93 7.31 70.37 24.06 7.94-999.99-999.99-999.99 1 0 7.03-999 ?-999 ?-999 ? N6 ADN D 504 mASN~D 182 71.30 22.45 9.50 71.07 23.18 10.14 70.87 20.08 9.78 69.73 20.23 10.22 71.90 21.18 9.88 72.47 21.25 11.30 2 0 -5.87-999 ?-999 ?-999 ? N6 ADN D 504s mVAL^D 183 71.28 18.96 9.20 72.23 18.97 8.91 70.60 16.75 10.06 71.54 15.95 9.97 70.39 17.83 9.01 70.59 17.22 7.60 3 0 9.24-999 ?-999 ?-999 ? N6 ADN D 504 mSER^D 184 69.72 16.73 11.06 69.02 17.43 11.00 68.86 14.61 11.87 67.68 14.82 11.60 69.81 15.76 12.15 69.44 16.41 13.47 2 0 11.14-999 ?-999 ?-999 ? N6 ADN D 504 mTHR^D 185 69.38 13.39 11.95 70.35 13.36 12.21 67.99 11.56 12.91 68.03 12.11 14.01 68.58 12.20 11.67 69.41 11.13 10.95 2 0 14.65-999 ?-999 ?-999 ? N6 ADN D 504 mASN^D 186 67.45 10.36 12.71 67.48 10.05 11.76 67.81 8.44 14.11 67.46 7.49 14.80 66.85 9.58 13.78 65.50 9.03 13.31 2 0 17.90-999 ?-999 ?-999 ? N7 ADN D 504 mILE^D 187 69.03 8.55 13.60 69.18 9.38 13.06 70.98 7.84 14.99 71.73 8.81 14.96 70.06 7.53 13.81 70.96 7.38 12.57 3 0 18.32-999 ?-999 ?-999 ? N6 ADN D 504 mPRO^D 188 70.94 7.01 16.05 70.29 6.26 15.98 73.27 7.14 16.79 73.69 6.14 16.22 71.80 7.24 17.22 71.40 6.11 18.16 3 0 18.69-999 ?-999 ?-999 ? N7 ADN D 504 mPHE~D 189 74.04 8.19 17.08 73.58 8.93 17.56 76.25 7.09 17.33 77.20 6.58 16.75 75.44 8.20 16.68 76.08 9.55 17.03 3 0 17.20-999 ?-999 ?-999 ? N7 ADN D 504 mASP~D 190 75.86 6.71 18.55 75.07 7.21 18.91 76.52 4.36 18.47 77.57 3.79 18.16 76.54 5.65 19.27 75.88 5.42 20.63 2 0 19.90-999 ?-999 ?-999 ? O5' ADN D 504 mLEU~D 191 75.32 3.90 18.13 74.55 4.45 18.44 75.98 2.78 16.05 76.74 1.87 15.70 75.19 2.68 17.35 73.71 2.40 17.07 3 0 22.65-999 ?-999 ?-999 ? N6 ADN D 504 mPHE~D 192 75.81 3.89 15.35 75.17 4.55 15.75 78.03 4.11 14.34 78.82 3.79 13.44 76.53 4.12 14.10 76.11 5.47 13.49 3 0 20.40-999 ?-999 ?-999 ? N6 ADN D 504 mLEU~D 193 78.43 4.47 15.55 77.69 4.70 16.18 80.36 3.09 16.17 81.52 2.79 15.91 79.85 4.51 15.91 80.04 5.39 17.15 3 0 20.63-999 ?-999 ?-999 ? N6 ADN D 504 mLYS~D 194 79.48 2.23 16.68 78.57 2.61 16.84 80.27 0.13 15.68 81.01 -0.87 15.73 79.85 0.84 16.96 78.68 0.09 17.60 2 0 24.41-999 ?-999 ?-999 ? N6 ADN D 504 mLEU~D 195 79.81 0.63 14.54 79.21 1.43 14.66 81.64 0.19 13.00 82.35 0.78 13.82 80.14 0.05 13.25 79.35 0.74 12.14 3 0 24.53-999 ?-999 ?-999 ? N6 ADN D 504 mSER~D 196 82.12 -0.34 11.88 81.43 -0.77 11.30 84.01 1.08 11.04 84.92 1.16 10.22 83.54 -0.28 11.56 83.90 -1.36 10.54 2 0 25.39-999 ?-999 ?-999 ? N6 ADN D 504 mVAL~D 197 83.39 2.15 11.54 82.67 1.95 12.20 84.31 4.28 12.31 83.91 4.06 13.45 83.76 3.50 11.12 82.55 4.27 10.55 3 0 21.82-999 ?-999 ?-999 ? N6 ADN D 504 mASP~D 198 85.24 5.20 12.03 85.48 5.27 11.06 86.00 7.45 12.61 85.92 7.73 11.41 85.83 6.01 13.08 87.18 5.43 13.50 2 0 20.43-999 ?-999 ?-999 ? N6 ADN D 504 mPHE~D 199 86.22 8.35 13.56 86.25 7.98 14.49 87.54 9.94 12.24 88.49 9.14 12.22 86.41 9.76 13.24 86.70 10.55 14.51 3 0 17.51-999 ?-999 ?-999 ? N6 ADN D 504 mASP~D 200 87.43 10.98 11.43 86.61 11.52 11.58 88.24 10.44 9.16 88.86 10.69 8.13 88.43 11.30 10.41 89.84 11.12 10.96 2 0 17.14-999 ?-999 ?-999 ? N1 ADN D 504 mASP~D 201 87.39 9.43 9.26 86.97 9.33 10.16 86.09 9.22 7.20 85.08 9.77 7.66 87.10 8.56 8.13 86.53 7.22 8.61 2 0 18.84-999 ?-999 ?-999 ? N6 ADN D 504 mVAL^D 202 86.36 9.19 5.91 87.22 8.73 5.67 84.37 8.76 4.64 84.67 7.59 4.39 85.45 9.78 4.94 86.17 10.13 3.62 3 0 17.68-999 ?-999 ?-999 ? N6 ADN D 504 mVAL^D 203 83.11 9.19 4.67 83.00 10.15 4.91 81.15 8.82 3.25 81.29 9.97 2.83 82.01 8.28 4.38 81.13 8.05 5.63 3 0 17.82-999 ?-999 ?-999 ? N6 ADN D 504 mARG^D 204 80.26 7.97 2.75 80.25 7.07 3.19 77.96 8.62 2.15 77.35 7.78 2.81 79.38 8.34 1.65 79.34 7.23 0.61 2 0 18.35-999 ?-999 ?-999 ? N6 ADN D 504 mVAL^D 205 77.46 9.81 1.85 78.08 10.41 1.34 75.22 10.07 1.02 75.46 10.70 -0.01 76.12 10.19 2.25 76.07 11.63 2.78 3 0 16.30-999 ?-999 ?-999 ? N6 ADN D 504 mARG^D 206 74.19 9.25 1.13 74.10 8.82 2.03 71.89 9.56 0.26 71.20 9.19 1.21 73.28 9.00 0.03 73.21 7.50 -0.23 2 0 18.83-999 ?-999 ?-999 ? N6 ADN D 504 mVAL^D 207 71.49 10.47 -0.62 72.17 10.68 -1.32 69.55 10.85 -1.93 69.83 11.57 -2.89 70.18 11.09 -0.57 70.28 12.61 -0.28 3 0 18.45-999 ?-999 ?-999 ? N6 ADN D 504 mGLY~D 208 68.71 9.83 -2.02 68.55 9.33 -1.17 69.17 9.05 -4.27 69.97 8.17 -3.95 68.09 9.51 -3.29-999.99-999.99-999.99 1 0 22.02-999 ?-999 ?-999 ? N6 ADN D 504 mARG~D 209 69.19 9.66 -5.45 68.48 10.36 -5.56 71.51 10.02 -6.29 72.47 9.73 -7.00 70.17 9.31 -6.48 69.63 9.66 -7.86 2 0 23.60-999 ?-999 ?-999 ? N6 ADN D 504 mLYS^D 210 71.56 10.94 -5.34 70.70 11.07 -4.84 73.67 11.06 -4.01 73.18 10.47 -3.04 72.78 11.70 -5.06 72.45 13.12 -4.61 2 0 20.42-999 ?-999 ?-999 ? N6 ADN D 504 mGLU^D 211 74.97 11.20 -4.20 75.22 11.68 -5.04 76.99 11.73 -2.96 77.63 12.26 -3.87 75.94 10.67 -3.25 76.62 9.41 -3.78 2 0 19.34-999 ?-999 ?-999 ? N6 ADN D 504 mPHE^D 212 77.16 12.03 -1.67 76.56 11.53 -1.06 79.19 12.33 -0.37 78.96 11.25 0.19 78.14 13.02 -1.23 77.46 14.08 -0.35 3 0 16.28-999 ?-999 ?-999 ? N6 ADN D 504 mLYS^D 213 80.36 12.95 -0.28 80.42 13.80 -0.82 81.48 13.35 1.75 81.54 14.57 1.60 81.44 12.43 0.53 82.76 12.49 -0.23 2 0 16.11-999 ?-999 ?-999 ? N6 ADN D 504 mALA^D 214 81.43 12.77 2.94 81.37 11.77 2.91 82.40 12.93 5.21 82.39 11.72 5.43 81.46 13.55 4.18 80.06 13.65 4.76 2 0 13.23-999 ?-999 ?-999 ? N6 ADN D 504 mALA^D 215 83.21 13.77 5.84 83.11 14.73 5.55 83.48 13.19 8.21 82.63 14.01 8.57 84.16 13.32 6.85 85.33 14.30 6.95 2 0 13.59-999 ?-999 ?-999 ? N6 ADN D 504 mVAL^D 216 83.85 12.15 8.96 84.53 11.56 8.53 84.04 12.79 11.28 85.08 12.39 11.78 83.28 11.93 10.28 83.42 10.45 10.71 3 0 13.84-999 ?-999 ?-999 ? N6 ADN D 504 mALA~D 217 83.50 13.97 11.57 82.64 14.16 11.10 83.40 15.02 13.82 82.35 14.42 14.02 84.15 14.88 12.50 84.31 16.25 11.85 2 0 11.93-999 ?-999 ?-999 ? N1 ADN D 504 mLYS~D 218 83.96 15.83 14.71 84.82 16.24 14.41 82.82 17.49 16.01 81.68 17.73 16.41 83.36 16.07 16.01 84.41 15.91 17.12 2 0 11.52-999 ?-999 ?-999 ? N1 ADN D 504 mALA~D 219 83.64 18.42 15.55 84.53 18.07 15.25 83.18 20.33 14.05 83.85 19.80 13.16 83.26 19.82 15.49 84.26 20.67 16.28 2 0 8.22-999 ?-999 ?-999 ? C2 ADN D 504 mPHE~D 220 82.36 21.35 13.85 81.88 21.66 14.67 83.51 22.43 12.00 83.83 22.25 10.82 82.18 21.95 12.53 81.22 23.13 12.63 3 0 -5.06-999 ?-999 ?-999 ? N1 ADN D 504s mGLY~D 221 84.30 23.05 12.87 83.93 23.12 13.80 86.63 22.50 12.16 87.75 22.82 11.76 85.59 23.56 12.47-999.99-999.99-999.99 1 0 6.67-999 ?-999 ?-999 ? C2 ADN D 504 mASP~D 222 86.29 21.23 12.35 85.35 21.09 12.68 87.43 19.90 10.59 88.33 19.16 10.19 87.24 20.16 12.08 86.82 18.87 12.80 2 0 9.84-999 ?-999 ?-999 ? C2 ADN D 504 mVAL~D 223 86.58 20.50 9.77 85.88 21.05 10.23 86.80 21.77 7.75 86.55 22.74 8.45 86.68 20.36 8.32 85.44 19.67 7.72 3 0 9.79-999 ?-999 ?-999 ? N1 ADN D 504 mASP~D 224 87.20 21.88 6.49 87.38 21.01 6.03 86.00 23.87 5.66 84.96 23.23 5.70 87.35 23.18 5.86 88.05 23.05 4.50 2 0 10.30-999 ?-999 ?-999 ? N1 ADN D 504 mTHR~D 225 86.05 25.18 5.45 86.97 25.57 5.45 84.02 25.41 4.08 84.56 25.18 2.99 84.83 25.95 5.25 85.16 27.43 4.96 2 0 8.44-999 ?-999 ?-999 ? N1 ADN D 504 mGLY~D 226 82.73 25.21 4.30 82.42 25.42 5.23 81.87 23.21 3.01 81.14 22.73 2.15 81.86 24.71 3.25-999.99-999.99-999.99 1 0 8.49-999 ?-999 ?-999 ? N1 ADN D 504 mGLU~D 227 82.67 22.47 3.77 83.21 22.97 4.44 81.67 20.29 4.41 81.15 20.83 5.38 82.73 21.03 3.58 84.12 20.50 3.92 2 0 9.61-999 ?-999 ?-999 ? N1 ADN D 504 mLEU^D 228 81.36 19.06 4.01 81.87 18.76 3.20 80.99 17.42 5.82 82.17 17.07 5.77 80.38 18.24 4.70 79.70 17.28 3.72 3 0 9.04-999 ?-999 ?-999 ? N6 ADN D 504 mLEU^D 229 80.19 17.11 6.82 79.26 17.47 6.75 79.52 15.59 8.63 78.38 16.07 8.68 80.65 16.31 7.94 81.39 17.17 8.97 3 0 9.12-999 ?-999 ?-999 ? N6 ADN D 504 mVAL^D 230 79.84 14.41 9.15 80.79 14.15 9.01 79.35 13.60 11.32 80.52 13.33 11.59 78.88 13.59 9.87 78.87 12.15 9.32 3 0 10.82-999 ?-999 ?-999 ? N6 ADN D 504 mHIS^D 231 78.44 13.91 12.24 77.53 14.10 11.87 77.55 13.81 14.53 76.42 13.81 14.05 78.79 13.97 13.65 79.43 15.31 13.98 3 0 10.87-999 ?-999 ?-999 ? N6 ADN D 504 mPRO^D 232 77.75 13.68 15.85 78.71 13.68 16.15 76.15 14.93 17.17 76.97 15.84 17.34 76.62 13.54 16.76 77.22 12.77 17.93 3 0 12.06-999 ?-999 ?-999 ? N7 ADN D 504 mASP~D 233 74.84 15.12 17.30 74.26 14.33 17.10 74.31 16.44 19.25 74.73 15.48 19.89 74.35 16.43 17.72 72.96 16.72 17.14 2 0 9.71-999 ?-999 ?-999 ? O5' ADN D 504 mSER~D 234 73.79 17.52 19.83 73.46 18.22 19.19 72.70 16.74 21.93 72.37 16.90 23.11 73.73 17.66 21.28 73.43 19.10 21.67 2 0 8.64-999 ?-999 ?-999 ? O5' ADN D 504 mALA~D 235 72.19 15.78 21.17 72.54 15.76 20.23 71.64 13.40 21.43 70.91 12.46 21.77 71.21 14.84 21.69 69.85 15.11 21.06 2 0 12.29-999 ?-999 ?-999 ? O5' ADN D 504 mGLY~D 236 72.81 13.22 20.82 73.29 14.06 20.58 72.94 11.33 19.18 73.33 10.22 18.83 73.30 11.88 20.55-999.99-999.99-999.99 1 0 14.16-999 ?-999 ?-999 ? O5' ADN D 504 mPHE^D 237 72.21 12.11 18.39 71.98 12.99 18.79 72.81 12.05 15.96 73.53 13.04 16.06 71.80 11.68 17.05 70.44 12.29 16.72 3 0 14.47-999 ?-999 ?-999 ? N7 ADN D 504 mLEU^D 238 72.86 11.22 14.91 72.24 10.44 14.96 73.23 12.66 13.02 72.07 12.67 12.59 73.77 11.48 13.81 73.88 10.25 12.90 3 0 13.51-999 ?-999 ?-999 ? N6 ADN D 504 mGLU^D 239 74.07 13.67 12.85 74.98 13.53 13.25 74.66 15.22 11.03 75.88 15.14 11.21 73.69 14.88 12.14 73.61 16.05 13.12 2 0 9.99-999 ?-999 ?-999 ? N6 ADN D 504 mILE^D 240 74.12 15.58 9.88 73.12 15.57 9.87 74.93 17.49 8.68 73.88 18.12 8.74 74.93 15.96 8.73 74.35 15.41 7.42 3 0 8.66-999 ?-999 ?-999 ? N6 ADN D 504 mALA^D 241 76.11 18.07 8.57 76.90 17.45 8.51 77.33 19.99 7.64 78.25 19.24 7.31 76.21 19.51 8.53 76.41 20.05 9.95 2 0 5.15-999 ?-999 ?-999 ? N6 ADN D 504 mVAL^D 242 77.23 21.25 7.22 76.40 21.72 7.54 78.90 22.96 7.24 78.23 23.85 7.76 78.24 21.88 6.39 77.61 22.57 5.16 3 0 -4.94-999 ?-999 ?-999 ? N6 ADN D 504s mASN~D 243 80.21 22.86 7.40 80.64 22.09 6.94 80.72 25.24 7.64 81.11 25.54 6.51 80.94 23.84 8.20 82.44 23.52 8.21 2 0 3.98-999 ?-999 ?-999 ? N1 ADN D 504 mLEU~D 244 80.10 26.09 8.45 79.86 25.71 9.34 78.94 27.47 6.80 79.14 28.28 5.90 79.80 27.46 8.06 81.08 28.25 7.81 3 0 -3.80-999 ?-999 ?-999 ? N1 ADN D 504s mGLY~D 245 77.97 26.55 6.75 77.91 25.96 7.55 75.72 25.91 5.95 75.34 25.86 7.11 77.09 26.46 5.60-999.99-999.99-999.99 1 0 5.43-999 ?-999 ?-999 ? N6 ADN D 504 mASP~D 246 75.00 25.47 4.92 75.45 25.55 4.04 73.53 23.54 4.47 73.32 23.41 3.27 73.65 24.93 5.09 72.65 25.87 4.43 2 0 6.38-999 ?-999 ?-999 ? N6 ADN D 504 mALA~D 247 73.64 22.50 5.30 73.79 22.75 6.25 72.20 20.81 4.11 72.20 20.17 3.06 73.53 21.13 4.81 73.74 20.15 5.96 2 0 7.32-999 ?-999 ?-999 ? N6 ADN D 504 mSER~D 248 71.08 21.25 4.68 71.22 21.76 5.53 69.71 21.51 2.65 69.04 20.92 1.79 69.78 20.99 4.08 68.65 21.61 4.91 2 0 10.14-999 ?-999 ?-999 ? N6 ADN D 504 mGLN~D 249 70.42 22.60 2.38 70.91 22.99 3.16 71.40 22.41 0.15 71.07 22.07 -0.98 70.44 23.17 1.04 70.83 24.64 1.08 2 0 11.53-999 ?-999 ?-999 ? N6 ADN D 504 mVAL~D 250 72.60 22.14 0.65 72.74 22.48 1.59 73.15 20.01 -0.47 73.32 19.57 -1.60 73.62 21.42 -0.11 74.95 21.33 0.68 3 0 11.48-999 ?-999 ?-999 ? N6 ADN D 504 mLEU~D 251 72.57 19.31 0.50 72.50 19.78 1.38 70.75 18.04 -0.45 70.35 17.11 -1.17 72.09 17.95 0.27 71.90 17.21 1.59 3 0 12.95-999 ?-999 ?-999 ? N6 ADN D 504 mSER~D 252 70.07 19.16 -0.25 70.52 19.82 0.35 67.79 18.36 -0.30 67.18 17.59 -1.05 68.77 19.39 -0.86 68.89 19.27 -2.38 2 0 14.80-999 ?-999 ?-999 ? N6 ADN D 504 mVAL~D 253 67.64 18.35 1.02 68.21 19.02 1.50 65.85 18.17 2.66 66.15 19.31 3.04 66.73 17.42 1.69 67.49 16.33 2.48 3 0 15.09-999 ?-999 ?-999 ? N6 ADN D 504 mLYS~D 254 64.76 17.53 3.08 64.65 16.62 2.68 63.45 17.07 5.07 63.75 15.89 4.91 63.82 18.11 4.02 62.56 18.58 3.29 2 0 15.83-999 ?-999 ?-999 ? N6 ADN D 504 mGLU~D 255 62.81 17.51 6.15 62.64 18.49 6.17 61.53 15.48 6.62 60.66 15.73 5.79 62.40 16.59 7.20 61.65 17.34 8.30 2 0 16.71-999 ?-999 ?-999 ? N6 ADN D 504 mGLY~D 256 61.80 14.24 7.04 62.54 14.18 7.71 61.81 12.33 5.49 61.56 11.14 5.28 61.05 13.10 6.55-999.99-999.99-999.99 1 0 19.75-999 ?-999 ?-999 ? N6 ADN D 504 mASP~D 257 62.73 13.01 4.80 62.82 13.96 5.08 64.39 11.26 4.30 64.90 11.34 5.41 63.53 12.38 3.75 64.43 13.41 3.07 2 0 19.09-999 ?-999 ?-999 ? N6 ADN D 504 mGLU^D 258 64.56 10.21 3.49 64.09 10.29 2.61 66.84 9.40 3.67 67.21 10.07 2.70 65.37 9.07 3.88 64.97 7.84 3.05 2 0 20.16-999 ?-999 ?-999 ? N6 ADN D 504 mILE^D 259 67.68 8.93 4.59 67.24 8.41 5.32 69.85 7.87 4.71 69.43 7.02 5.50 69.11 9.18 4.51 69.57 10.16 5.62 3 0 17.97-999 ?-999 ?-999 ? N6 ADN D 504 mGLU^D 260 70.96 7.70 4.00 71.18 8.47 3.39 73.25 6.83 4.10 73.73 7.57 3.24 71.76 6.50 4.11 71.43 5.53 2.97 2 0 19.52-999 ?-999 ?-999 ? N6 ADN D 504 mILE^D 261 73.97 6.28 5.08 73.44 5.73 5.72 76.08 5.19 4.79 75.67 4.12 5.22 75.40 6.50 5.17 75.83 6.91 6.60 3 0 18.56-999 ?-999 ?-999 ? N6 ADN D 504 mCYH^D 262 77.13 5.29 3.98 77.35 6.23 3.70 79.35 4.44 3.62 79.74 5.59 3.82 77.87 4.12 3.54 77.47 3.76 2.10 2 0 21.29-999 ?-999 ?-999 ? N6 ADN D 504 mARG~D 263 80.19 3.42 3.46 79.75 2.54 3.29 82.32 3.16 2.25 83.22 2.30 2.34 81.63 3.62 3.53 82.19 2.87 4.74 2 0 22.25-999 ?-999 ?-999 ? N6 ADN D 504