HEADER UNKNOWN FUNCTION 20-NOV-06 2NYD COMPND UPF0135 PROTEIN SA1388; COMPND 3 CHAIN: A, B; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS SUBSP. AUREUS; SOURCE 3 ORGANISM_TAXID: 158879; SOURCE 4 STRAIN: N315; SOURCE 5 GENE: SA1388; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3); SOURCE 7 EXPRESSION_SYSTEM_TAXID: 469008; SOURCE 8 EXPRESSION_SYSTEM_STRAIN: BL21(DE3); SOURCE 9 EXPRESSION_SYSTEM_VECTOR: P-PROEX AUTHOR K.S.SINGH,X.ZHANG,H.ZHANG HET ZN A 401 1 HET ZN A 402 1 HET ZN B 401 1 HET ZN B 402 1 SITE 1 AC1 5 HIS A 64 ASP A 102 GLU A 329 ZN A 402 SITE 1 AC2 6 HIS A 65 HIS A 326 GLU A 329 ZN A 401 SITE 1 AC3 6 HOH A 579 HIS B 65 HIS B 326 GLU B 329 SITE 1 AC4 5 HIS B 64 ASP B 102 GLU B 329 ZN B 401 mASP.A -1 -31.69 145.98 -27.22 -30.87 145.93 -27.79 -32.90 144.90 -25.31 -33.31 143.77 -25.61 -32.92 146.04 -26.36 -34.17 145.98 -27.25 2 0 33.62-999 ?-999 ?-999 ? ZN ZN A 401 mPRO.A 0 -32.41 145.20 -24.08 -32.30 146.18 -23.91 -33.27 143.31 -22.58 -34.37 143.82 -22.35 -32.08 144.16 -23.08 -31.44 144.95 -21.92 3 0 30.79-999 ?-999 ?-999 ? ZN ZN A 401 mMET.A 1 -33.02 142.02 -22.43 -32.07 141.77 -22.60 -34.52 141.28 -20.59 -33.73 141.40 -19.66 -34.05 141.05 -22.04 -33.56 139.62 -22.31 2 0 27.17-999 ?-999 ?-999 ? ZN ZN A 401 mLYS~A 2 -35.83 141.39 -20.44 -36.34 141.34 -21.31 -36.99 140.20 -18.71 -37.14 139.29 -19.53 -36.47 141.55 -19.14 -37.66 142.52 -19.25 2 0 26.25-999 ?-999 ?-999 ? ZN ZN A 401 mILE~A 3 -37.36 140.08 -17.43 -37.14 140.88 -16.86 -39.21 138.48 -17.83 -39.35 137.30 -18.15 -38.04 138.87 -16.94 -38.49 138.98 -15.47 3 0 22.95-999 ?-999 ?-999 ? ZN ZN A 401 mALA~A 4 -40.03 139.46 -18.24 -39.77 140.37 -17.93 -40.81 138.50 -20.42 -41.53 137.64 -20.91 -41.20 139.17 -19.09 -42.08 140.45 -19.37 2 0 23.84-999 ?-999 ?-999 ? ZN ZN A 401 mASP~A 5 -39.67 138.92 -20.99 -39.20 139.64 -20.49 -38.66 136.91 -22.03 -38.90 136.05 -22.86 -39.18 138.34 -22.24 -38.08 139.21 -22.86 2 0 24.23-999 ?-999 ?-999 ? ZN ZN A 401 mLEU~A 6 -37.96 136.69 -20.93 -37.78 137.52 -20.40 -38.69 134.43 -20.42 -38.73 133.33 -21.00 -37.49 135.36 -20.55 -36.76 135.44 -19.21 3 0 20.91-999 ?-999 ?-999 ? ZN ZN A 401 mMET~A 7 -39.70 134.89 -19.66 -39.56 135.80 -19.26 -41.54 133.68 -20.75 -41.97 132.53 -20.90 -40.89 134.10 -19.44 -41.89 134.82 -18.53 2 0 19.24-999 ?-999 ?-999 ? ZN ZN A 401 mTHR~A 8 -41.60 134.60 -21.72 -41.25 135.50 -21.45 -41.36 133.16 -23.80 -41.96 132.21 -24.38 -42.13 134.27 -23.06 -42.23 135.56 -23.95 2 0 21.26-999 ?-999 ?-999 ? ZN ZN A 401 mLEU~A 9 -40.04 133.29 -23.78 -39.74 134.10 -23.29 -39.22 130.93 -23.79 -39.31 129.91 -24.51 -39.13 132.33 -24.42 -37.70 132.88 -24.30 3 0 20.35-999 ?-999 ?-999 ? ZN ZN A 401 mLEU~A 10 -39.16 130.88 -22.45 -38.99 131.77 -22.03 -40.66 128.96 -21.97 -40.75 127.74 -22.13 -39.33 129.63 -21.69 -39.23 129.91 -20.19 3 0 16.52-999 ?-999 ?-999 ? ZN ZN A 401 mASP~A 11 -41.72 129.76 -22.04 -41.52 130.73 -21.85 -43.13 128.69 -23.77 -43.81 127.70 -24.06 -43.05 129.24 -22.35 -44.11 130.33 -22.09 2 0 17.01-999 ?-999 ?-999 ? ZN ZN A 401 mHIS~A 12 -42.39 129.32 -24.68 -41.90 130.13 -24.34 -41.77 127.41 -26.08 -42.40 126.52 -26.65 -42.33 128.84 -26.04 -41.49 129.79 -26.94 3 0 19.20-999 ?-999 ?-999 ? ZN ZN A 401 mHIS~A 13 -40.63 127.20 -25.44 -40.30 127.99 -24.92 -40.40 124.84 -24.50 -40.32 123.63 -24.79 -39.92 125.92 -25.50 -38.43 126.16 -25.35 3 0 16.82-999 ?-999 ?-999 ? ZN ZN A 401 mVAL~A 14 -40.88 125.29 -23.35 -40.87 126.28 -23.27 -42.69 124.98 -21.72 -42.70 125.49 -20.58 -41.38 124.40 -22.30 -40.35 124.23 -21.14 3 0 13.43-999 ?-999 ?-999 ? ZN ZN A 401 mPRO~A 15 -43.79 124.87 -22.48 -43.67 124.28 -23.28 -45.52 125.29 -20.78 -45.65 124.14 -20.33 -45.05 125.54 -22.20 -46.03 124.89 -23.21 3 0 14.97-999 ?-999 ?-999 ? ZN ZN A 401 mPHE~A 16 -45.77 126.39 -20.06 -45.68 127.25 -20.56 -47.51 125.63 -18.50 -47.81 125.10 -17.45 -46.15 126.30 -18.66 -46.10 127.70 -18.00 3 0 13.72-999 ?-999 ?-999 ? ZN ZN A 401 mSER~A 17 -48.31 125.61 -19.56 -47.95 126.09 -20.35 -49.51 123.43 -19.55 -50.49 122.78 -19.28 -49.61 124.95 -19.53 -50.43 125.36 -20.74 2 0 15.32-999 ?-999 ?-999 ? ZN ZN A 401 mTHR~A 18 -48.35 122.87 -19.88 -47.65 123.51 -20.19 -47.91 120.93 -18.33 -47.84 119.74 -18.06 -48.15 121.40 -19.77 -47.07 120.88 -20.76 2 0 12.85-999 ?-999 ?-999 ? ZN ZN A 401 mALA~A 19 -47.76 121.87 -17.41 -47.78 122.80 -17.77 -48.90 121.01 -15.45 -49.96 121.36 -15.95 -47.57 121.56 -16.00 -47.15 122.83 -15.24 2 0 10.43-999 ?-999 ?-999 ? ZN ZN A 401 mGLU.A 20 -48.84 120.16 -14.42 -47.91 119.91 -14.14 -50.90 120.80 -13.15 -50.35 121.85 -12.77 -50.07 119.66 -13.77 -49.72 118.64 -12.71 2 0 11.16-999 ?-999 ?-999 ? ZN ZN A 401 mSER.A 21 -52.22 120.61 -13.04 -52.54 119.71 -13.33 -52.83 121.98 -11.05 -53.02 123.10 -10.59 -53.09 121.68 -12.53 -54.57 121.33 -12.75 2 0 14.47-999 ?-999 ?-999 ? ZN ZN A 401 mTRP.A 22 -52.34 121.00 -10.31 -52.24 120.13 -10.80 -50.69 122.00 -8.68 -50.40 122.41 -7.57 -52.00 121.24 -8.89 -51.93 119.92 -8.10 3 0 13.51-999 ?-999 ?-999 ? ZN ZN A 401 mASP.A 23 -49.89 122.13 -9.73 -50.32 121.87 -10.59 -48.42 124.14 -9.50 -49.39 124.85 -9.77 -48.49 122.61 -9.63 -47.74 122.17 -10.88 2 0 10.90-999 ?-999 ?-999 ? ZN ZN A 401 mASN.A 24 -47.26 124.67 -9.15 -46.53 124.01 -8.97 -45.86 126.46 -9.84 -44.75 126.24 -9.37 -47.12 126.09 -9.05 -47.02 126.48 -7.57 2 0 12.35-999 ?-999 ?-999 ? ZN ZN A 401 mVAL.A 25 -46.05 126.98 -11.05 -47.01 127.18 -11.24 -44.99 128.67 -12.53 -46.00 129.35 -12.42 -44.96 127.23 -12.01 -45.00 126.25 -13.25 3 0 11.90-999 ?-999 ?-999 ? ZN ZN A 401 mGLY^A 26 -43.88 129.10 -13.15 -43.14 128.43 -13.18 -42.95 131.32 -12.82 -42.15 130.87 -12.02 -43.76 130.44 -13.71-999.99-999.99-999.99 1 0 14.60-999 ?-999 ?-999 ? ZN ZN A 401 mLEU^A 27 -43.17 132.62 -12.96 -43.78 132.87 -13.71 -43.19 133.51 -10.70 -44.32 133.97 -10.48 -42.55 133.59 -12.09 -42.67 135.00 -12.65 3 0 17.23-999 ?-999 ?-999 ? ZN ZN A 401 mLEU^A 28 -42.45 132.98 -9.74 -41.54 132.69 -10.04 -42.66 134.04 -7.52 -43.44 134.40 -6.65 -42.98 132.85 -8.39 -42.50 131.54 -7.72 3 0 16.79-999 ?-999 ?-999 ? ZN ZN A 402 mILE^A 29 -41.47 134.62 -7.69 -40.92 134.22 -8.43 -40.31 136.66 -7.82 -39.33 136.23 -8.47 -41.03 135.72 -6.85 -40.09 135.28 -5.73 3 0 19.34-999 ?-999 ?-999 ? ZN ZN A 402 mGLY.A 30 -40.80 137.89 -7.99 -41.67 138.10 -7.55 -40.85 139.91 -9.43 -41.97 140.17 -9.03 -40.03 138.80 -8.81-999.99-999.99-999.99 1 0 22.34-999 ?-999 ?-999 ? ZN ZN A 402 mASP.A 31 -40.24 140.57 -10.41 -39.36 140.16 -10.66 -40.47 141.56 -12.57 -39.29 141.55 -12.98 -40.76 141.75 -11.07 -40.02 142.98 -10.54 2 0 25.15-999 ?-999 ?-999 ? ZN ZN A 401 mGLU.A 32 -41.51 141.40 -13.36 -42.40 141.52 -12.92 -40.71 142.17 -15.61 -40.29 141.89 -16.73 -41.35 141.07 -14.75 -42.64 140.63 -15.38 2 0 24.72-999 ?-999 ?-999 ? ZN ZN A 401 mASP.A 33 -40.65 143.40 -15.07 -41.05 143.46 -14.16 -38.54 144.61 -15.57 -37.88 145.42 -16.22 -40.05 144.54 -15.76 -40.68 145.88 -15.27 2 0 28.24-999 ?-999 ?-999 ? ZN ZN A 401 mVAL.A 34 -37.99 143.80 -14.67 -38.63 143.16 -14.23 -35.69 143.18 -15.46 -36.07 142.12 -16.01 -36.56 143.85 -14.36 -36.28 143.24 -12.96 3 0 27.54-999 ?-999 ?-999 ? ZN ZN A 401 mGLU.A 35 -34.57 143.83 -15.79 -34.42 144.68 -15.28 -32.84 142.18 -16.23 -32.32 142.28 -15.15 -33.65 143.34 -16.82 -32.71 144.45 -17.34 2 0 27.87-999 ?-999 ?-999 ? ZN ZN A 401 mVAL.A 36 -32.80 141.08 -16.93 -33.33 141.12 -17.78 -30.51 140.15 -16.60 -29.99 140.43 -17.70 -32.03 139.91 -16.50 -32.42 138.68 -17.36 3 0 24.98-999 ?-999 ?-999 ? ZN ZN A 401 mTHR.A 37 -29.79 140.03 -15.48 -30.30 139.82 -14.65 -27.63 138.84 -15.77 -26.47 138.82 -16.16 -28.34 140.20 -15.53 -27.81 140.83 -14.23 2 0 26.41-999 ?-999 ?-999 ? ZN ZN A 401 mGLY.A 38 -28.35 137.73 -15.54 -29.30 137.90 -15.31 -28.68 135.36 -15.01 -29.53 135.69 -14.17 -27.76 136.39 -15.64-999.99-999.99-999.99 1 0 23.39-999 ?-999 ?-999 ? ZN ZN A 401 mVAL^A 39 -28.53 134.11 -15.43 -27.74 133.96 -16.02 -28.73 131.87 -14.36 -27.83 131.28 -14.97 -29.46 133.05 -15.02 -30.27 132.54 -16.22 3 0 19.61-999 ?-999 ?-999 ? ZN ZN A 401 mLEU^A 40 -29.10 131.54 -13.11 -29.78 132.15 -12.71 -29.64 129.30 -12.38 -30.79 129.57 -11.99 -28.56 130.39 -12.41 -28.16 130.78 -11.00 3 0 17.65-999 ?-999 ?-999 ? ZN ZN A 401 mTHR^A 41 -29.29 128.10 -12.82 -28.35 128.03 -13.17 -30.07 126.18 -11.50 -28.97 126.10 -10.95 -30.25 126.98 -12.77 -30.18 126.08 -14.00 2 0 13.99-999 ?-999 ?-999 ? ZN ZN A 401 mALA^A 42 -31.18 125.62 -11.00 -31.98 125.64 -11.61 -32.23 123.91 -9.58 -33.18 123.93 -10.33 -31.20 125.03 -9.65 -31.46 126.10 -8.55 2 0 11.81-999 ?-999 ?-999 ? ZN ZN A 402 mLEU.A 43 -31.98 122.89 -8.77 -31.07 122.85 -8.36 -33.94 122.49 -7.44 -35.12 122.73 -7.70 -33.03 121.90 -8.52 -32.46 120.53 -8.10 3 0 8.22-999 ?-999 ?-999 ? ZN ZN A 402 mASP.A 44 -33.38 122.67 -6.24 -32.46 122.27 -6.17 -33.33 124.69 -4.88 -32.08 124.78 -4.80 -34.01 123.35 -5.13 -33.96 122.51 -3.83 2 0 9.04-999 ?-999 ?-999 ? ZN ZN A 402 mCYH.A 45 -34.14 125.72 -4.70 -35.12 125.51 -4.78 -33.40 127.16 -2.93 -34.28 127.61 -2.23 -33.61 127.04 -4.42 -34.56 128.14 -4.97 2 0 12.43-999 ?-999 ?-999 ? ZN ZN A 402 mTHR~A 46 -32.23 126.73 -2.44 -31.61 126.34 -3.12 -31.30 128.22 -0.77 -30.99 128.99 -1.70 -31.91 126.83 -1.04 -30.89 125.77 -0.63 2 0 14.40-999 ?-999 ?-999 ? ZN ZN A 402 mLEU~A 47 -31.12 128.54 0.50 -31.48 127.87 1.15 -29.03 129.85 0.29 -28.58 130.93 -0.12 -30.45 129.77 0.88 -30.37 129.88 2.41 3 0 18.18-999 ?-999 ?-999 ? ZN ZN A 402 mGLU~A 48 -28.32 128.72 0.25 -28.77 127.93 0.67 -27.04 129.01 -1.88 -26.16 129.71 -2.42 -26.99 128.68 -0.38 -26.29 127.33 -0.11 2 0 18.83-999 ?-999 ?-999 ? ZN ZN A 402 mVAL~A 49 -28.08 128.56 -2.56 -28.72 128.01 -2.02 -28.52 130.38 -4.20 -28.03 130.98 -5.18 -28.26 128.88 -3.99 -29.43 128.05 -4.62 3 0 16.98-999 ?-999 ?-999 ? ZN ZN A 402 mVAL~A 50 -29.36 130.97 -3.33 -29.81 130.34 -2.70 -28.22 133.19 -3.15 -27.92 134.13 -3.89 -29.56 132.44 -3.36 -30.58 132.92 -2.29 3 0 19.18-999 ?-999 ?-999 ? ZN ZN A 402 mASN~A 51 -27.45 132.77 -2.15 -27.87 132.05 -1.60 -25.16 133.23 -3.08 -24.39 134.17 -3.36 -26.10 133.34 -1.88 -25.46 132.69 -0.66 2 0 22.17-999 ?-999 ?-999 ? ZN ZN A 402 mGLU~A 52 -25.26 132.11 -3.80 -25.91 131.44 -3.42 -24.90 132.83 -6.15 -24.04 133.45 -6.77 -24.50 131.88 -5.02 -24.62 130.40 -5.46 2 0 21.47-999 ?-999 ?-999 ? ZN ZN A 402 mALA~A 53 -26.20 132.94 -6.45 -26.78 132.28 -5.98 -26.15 135.39 -7.09 -25.66 136.07 -7.98 -26.69 133.97 -7.40 -28.24 134.00 -7.47 2 0 21.49-999 ?-999 ?-999 ? ZN ZN A 402 mILE~A 54 -26.27 135.81 -5.85 -26.70 135.14 -5.25 -24.32 137.32 -5.70 -23.90 138.32 -6.30 -25.82 137.14 -5.40 -26.14 137.31 -3.90 3 0 24.72-999 ?-999 ?-999 ? ZN ZN A 402 mGLU~A 55 -23.54 136.32 -5.28 -24.07 135.63 -4.77 -21.75 136.33 -6.98 -20.84 137.09 -7.35 -22.10 136.19 -5.50 -21.72 134.78 -5.03 2 0 26.19-999 ?-999 ?-999 ? ZN ZN A 402 mLYS~A 56 -22.46 135.62 -7.84 -23.19 135.07 -7.43 -22.70 136.88 -9.99 -22.49 137.02 -11.20 -22.18 135.65 -9.28 -22.71 134.39 -9.97 2 0 25.65-999 ?-999 ?-999 ? ZN ZN A 402 mGLY~A 57 -23.39 137.75 -9.26 -23.38 137.55 -8.28 -25.25 138.55 -10.75 -25.54 139.26 -11.74 -24.08 138.90 -9.86-999.99-999.99-999.99 1 0 27.09-999 ?-999 ?-999 ? ZN ZN A 402 mTYR.A 58 -25.96 137.46 -10.42 -25.64 137.01 -9.59 -28.40 137.37 -10.55 -28.54 137.13 -9.35 -27.10 137.00 -11.24 -27.07 135.47 -11.42 3 0 23.89-999 ?-999 ?-999 ? ZN ZN A 401 mASN.A 59 -29.36 137.94 -11.27 -29.16 138.08 -12.24 -31.76 137.43 -10.94 -32.88 137.75 -10.61 -30.59 138.32 -10.59 -30.92 139.81 -10.79 2 0 23.49-999 ?-999 ?-999 ? ZN ZN A 401 mTHR^A 60 -31.48 136.28 -11.58 -30.50 136.12 -11.73 -32.09 133.93 -11.69 -30.96 133.51 -12.06 -32.53 135.36 -12.03 -32.80 135.51 -13.53 2 0 20.02-999 ?-999 ?-999 ? ZN ZN A 401 mILE^A 61 -32.97 133.22 -10.97 -33.74 133.77 -10.65 -33.97 131.03 -11.31 -35.14 131.43 -11.16 -32.82 131.79 -10.69 -32.73 131.50 -9.15 3 0 16.61-999 ?-999 ?-999 ? ZN ZN A 401 mILE^A 62 -33.66 129.96 -12.06 -32.68 129.85 -12.25 -34.50 127.69 -11.82 -33.44 127.05 -11.97 -34.69 129.03 -12.54 -34.66 128.81 -14.07 3 0 13.37-999 ?-999 ?-999 ? ZN ZN A 401 mSER^A 63 -35.48 127.32 -11.00 -36.24 127.96 -10.97 -36.42 125.10 -10.85 -37.32 125.51 -11.61 -35.41 126.07 -10.22 -35.71 126.32 -8.72 2 0 10.39-999 ?-999 ?-999 ? ZN ZN A 401 mHIS.A 64 -36.21 123.82 -10.62 -35.34 123.60 -10.17 -38.26 122.85 -9.95 -39.43 123.06 -10.28 -37.17 122.82 -10.99 -36.54 121.43 -11.01 3 0 -6.66-999 ?-999 ?-999 ? ZN ZN A 401s mHIS.A 65 -37.88 122.64 -8.69 -36.89 122.56 -8.56 -39.40 123.95 -7.20 -38.60 124.86 -7.01 -38.87 122.56 -7.61 -38.30 121.85 -6.40 3 0 -6.08-999 ?-999 ?-999 ? ZN ZN A 402s mPRO.A 66 -40.73 124.10 -7.09 -41.30 123.30 -7.26 -40.96 125.76 -5.26 -41.31 124.97 -4.38 -41.22 125.44 -6.73 -42.71 125.39 -7.05 3 0 9.25-999 ?-999 ?-999 ? ZN ZN A 402 mLEU.A 67 -40.28 126.88 -5.00 -40.02 127.42 -5.80 -41.25 127.53 -2.84 -41.30 127.33 -1.65 -39.96 127.24 -3.63 -39.04 128.48 -3.57 3 0 11.60-999 ?-999 ?-999 ? ZN ZN A 402 mILE.A 68 -42.24 128.07 -3.53 -41.99 128.33 -4.46 -44.41 127.26 -3.68 -44.49 127.31 -4.89 -43.56 128.27 -2.94 -44.13 129.68 -3.22 3 0 13.51-999 ?-999 ?-999 ? ZN ZN A 402 mPHE.A 69 -44.99 126.33 -2.95 -44.81 126.36 -1.97 -47.25 125.52 -3.10 -48.13 126.03 -3.81 -45.82 125.34 -3.61 -45.27 123.92 -3.43 3 0 11.86-999 ?-999 ?-999 ? ZN ZN A 402 mLYS.A 70 -47.49 125.15 -1.85 -46.78 124.63 -1.39 -48.63 127.00 -0.83 -47.53 127.50 -0.61 -48.76 125.53 -1.26 -49.13 124.60 -0.10 2 0 14.75-999 ?-999 ?-999 ? ZN ZN A 402 mGLY.A 71 -49.73 127.72 -0.73 -50.60 127.26 -0.93 -48.82 129.30 0.99 -49.04 128.55 1.97 -49.58 129.10 -0.33-999.99-999.99-999.99 1 0 18.01-999 ?-999 ?-999 ? ZN ZN A 402 mVAL.A 72 -47.94 130.32 1.01 -47.84 130.77 0.12 -48.16 131.45 3.08 -48.91 132.29 2.63 -47.19 130.73 2.20 -45.98 131.71 1.92 3 0 19.21-999 ?-999 ?-999 ? ZN ZN A 402 mTHR.A 73 -48.13 131.12 4.34 -47.42 130.45 4.55 -48.35 132.81 6.09 -48.99 133.78 6.58 -49.05 131.67 5.33 -49.60 130.47 6.15 2 0 22.43-999 ?-999 ?-999 ? ZN ZN A 402 mSER.A 74 -47.03 132.74 6.15 -46.64 131.89 5.80 -44.88 133.96 6.03 -44.45 133.01 5.34 -46.26 133.87 6.68 -46.11 133.78 8.18 2 0 23.77-999 ?-999 ?-999 ? ZN ZN A 402 mLEU.A 75 -44.23 135.10 6.21 -44.72 135.76 6.78 -42.05 135.99 6.68 -41.81 137.20 6.69 -42.91 135.36 5.63 -43.03 136.26 4.40 3 0 23.53-999 ?-999 ?-999 ? ZN ZN A 402 mLYS.A 76 -41.53 135.13 7.53 -41.78 134.18 7.33 -39.24 135.15 8.38 -38.91 134.42 7.44 -40.70 135.50 8.63 -41.24 134.85 9.91 2 0 25.26-999 ?-999 ?-999 ? ZN ZN A 402 mALA.A 77 -38.35 135.67 9.21 -38.75 136.22 9.95 -36.54 134.07 9.62 -35.73 133.96 10.53 -36.92 135.43 9.04 -36.12 136.57 9.66 2 0 25.53-999 ?-999 ?-999 ? ZN ZN A 402 mASN.A 78 -37.13 133.02 9.08 -37.73 133.22 8.30 -37.33 130.67 8.53 -38.25 130.93 7.79 -36.90 131.68 9.61 -37.79 131.52 10.85 2 0 23.31-999 ?-999 ?-999 ? ZN ZN A 402 mGLY~A 79 -36.65 129.52 8.42 -35.82 129.46 8.97 -37.14 128.93 6.08 -36.23 129.65 5.65 -37.15 128.46 7.52-999.99-999.99-999.99 1 0 19.65-999 ?-999 ?-999 ? ZN ZN A 402 mTYR~A 80 -38.16 128.54 5.34 -38.79 127.93 5.81 -38.53 130.49 3.86 -38.21 131.10 2.86 -38.31 128.96 3.95 -39.48 128.21 3.27 3 0 17.24-999 ?-999 ?-999 ? ZN ZN A 402 mGLY~A 81 -39.05 131.10 4.94 -39.27 130.48 5.70 -37.96 133.30 4.68 -37.97 134.36 4.04 -39.26 132.56 4.99-999.99-999.99-999.99 1 0 20.61-999 ?-999 ?-999 ? ZN ZN A 402 mLEU~A 82 -36.85 132.72 5.13 -37.01 131.82 5.54 -35.09 133.37 3.61 -34.54 134.39 3.14 -35.53 133.30 5.05 -34.58 132.38 5.82 3 0 21.55-999 ?-999 ?-999 ? ZN ZN A 402 mILE~A 83 -35.35 132.31 2.86 -35.83 131.56 3.32 -35.79 133.25 0.64 -35.28 134.01 -0.20 -34.94 132.28 1.49 -35.09 130.83 0.93 3 0 18.86-999 ?-999 ?-999 ? ZN ZN A 402 mILE~A 84 -37.10 133.21 0.85 -37.38 132.54 1.54 -37.72 135.56 0.37 -37.63 136.39 -0.57 -38.04 134.08 0.10 -39.50 133.79 0.55 3 0 19.36-999 ?-999 ?-999 ? ZN ZN A 402 mARG~A 85 -37.53 135.88 1.65 -37.66 135.13 2.29 -35.79 137.66 1.45 -35.66 138.79 0.97 -37.15 137.25 2.04 -37.17 137.42 3.56 2 0 23.11-999 ?-999 ?-999 ? ZN ZN A 402 mLYS~A 86 -34.78 136.79 1.50 -34.97 135.94 1.99 -33.63 137.39 -0.62 -33.03 138.37 -1.11 -33.51 137.11 0.86 -32.43 136.05 1.14 2 0 23.12-999 ?-999 ?-999 ? ZN ZN A 402 mLEU~A 87 -34.38 136.57 -1.35 -34.74 135.78 -0.87 -35.14 138.29 -3.00 -34.58 139.07 -3.81 -34.62 136.87 -2.77 -35.61 135.87 -3.39 3 0 21.51-999 ?-999 ?-999 ? ZN ZN A 402 mILE~A 88 -36.25 138.60 -2.34 -36.59 137.86 -1.76 -35.99 141.05 -2.05 -35.83 142.00 -2.79 -36.91 139.89 -2.45 -38.22 139.89 -1.64 3 0 24.13-999 ?-999 ?-999 ? ZN ZN A 402 mGLN~A 89 -35.36 140.94 -0.89 -35.55 140.10 -0.37 -33.23 142.18 -1.36 -32.64 143.26 -1.36 -34.47 141.98 -0.43 -34.07 141.74 1.03 2 0 26.98-999 ?-999 ?-999 ? ZN ZN A 402 mHIS~A 90 -32.88 141.18 -2.17 -33.43 140.36 -2.10 -32.20 141.49 -4.50 -31.40 141.42 -5.43 -31.74 141.35 -3.10 -30.72 140.21 -2.94 3 0 26.39-999 ?-999 ?-999 ? ZN ZN A 402 mASP.A 91 -33.51 141.70 -4.68 -34.06 141.73 -3.85 -33.72 140.65 -6.94 -33.40 140.82 -8.13 -34.08 141.85 -6.01 -33.63 143.19 -6.63 2 0 25.93-999 ?-999 ?-999 ? ZN ZN A 402 mILE.A 92 -33.79 139.43 -6.40 -33.98 139.43 -5.42 -34.96 137.67 -7.64 -35.90 137.52 -6.81 -33.60 138.23 -7.24 -32.76 137.13 -6.54 3 0 22.45-999 ?-999 ?-999 ? ZN ZN A 402 mASN^A 93 -35.06 137.37 -8.93 -34.24 137.59 -9.46 -36.15 135.27 -9.55 -35.14 134.71 -9.97 -36.25 136.79 -9.52 -36.46 137.39 -10.90 2 0 20.52-999 ?-999 ?-999 ? ZN ZN A 401 mLEU^A 94 -37.21 134.61 -9.08 -37.95 135.19 -8.76 -38.34 132.63 -9.94 -39.53 132.94 -9.74 -37.24 133.15 -9.06 -37.42 132.61 -7.62 3 0 16.80-999 ?-999 ?-999 ? ZN ZN A 402 mILE^A 95 -37.95 131.78 -10.89 -36.97 131.60 -10.88 -38.84 129.65 -11.58 -37.74 129.07 -11.41 -38.87 131.16 -11.84 -38.44 131.41 -13.33 3 0 14.55-999 ?-999 ?-999 ? ZN ZN A 401 mALA^A 96 -40.01 129.03 -11.60 -40.78 129.65 -11.74 -40.60 126.89 -12.74 -41.63 127.22 -13.30 -40.12 127.57 -11.44 -41.05 127.23 -10.25 2 0 10.95-999 ?-999 ?-999 ? ZN ZN A 401 mMET.A 97 -39.78 125.98 -13.25 -38.91 125.92 -12.77 -40.14 123.75 -13.81 -39.13 123.04 -13.79 -40.12 125.15 -14.40 -39.08 125.29 -15.51 2 0 9.02-999 ?-999 ?-999 ? ZN ZN A 401 mHIS~A 98 -41.32 123.41 -13.29 -42.07 124.06 -13.46 -42.10 121.14 -13.44 -41.38 120.63 -14.28 -41.50 122.21 -12.55 -42.27 122.42 -11.22 3 0 6.00-999 ?-999 ?-999 ? ZN ZN A 401 mTHR~A 99 -43.38 120.78 -13.24 -43.90 121.31 -12.58 -43.92 119.83 -15.50 -43.83 118.84 -16.21 -43.91 119.63 -14.00 -45.26 119.05 -13.54 2 0 5.84-999 ?-999 ?-999 ? ZN ZN A 401 mASN~A 100 -43.96 121.10 -15.97 -44.16 121.81 -15.29 -42.37 120.84 -17.90 -42.29 120.38 -19.04 -43.74 121.36 -17.39 -44.05 122.82 -17.82 2 0 8.64-999 ?-999 ?-999 ? ZN ZN A 401 mLEU~A 101 -41.33 120.96 -17.08 -41.51 121.49 -16.25 -40.00 118.81 -17.30 -39.34 118.14 -18.08 -40.03 120.36 -17.42 -38.90 120.96 -16.59 3 0 7.02-999 ?-999 ?-999 ? ZN ZN A 401 mASP~A 102 -40.71 118.26 -16.31 -41.14 118.92 -15.69 -41.47 116.14 -17.41 -41.18 115.00 -17.71 -40.83 116.79 -16.17 -41.70 116.42 -14.94 2 0 -4.85-999 ?-999 ?-999 ? ZN ZN A 401s mVAL~A 103 -42.38 116.84 -18.09 -42.52 117.78 -17.76 -42.55 116.68 -20.59 -43.06 116.28 -21.64 -43.08 116.22 -19.23 -44.61 116.47 -19.18 3 0 8.51-999 ?-999 ?-999 ? ZN ZN A 401 mASN.A 104 -41.54 117.54 -20.58 -41.20 117.80 -19.68 -40.18 116.99 -22.58 -39.39 116.29 -21.94 -41.02 118.05 -21.85 -40.15 119.29 -21.61 2 0 10.56-999 ?-999 ?-999 ? ZN ZN A 401 mPRO.A 105 -40.29 116.95 -23.93 -40.99 117.55 -24.32 -37.95 116.27 -24.56 -37.20 115.33 -24.75 -39.44 116.07 -24.76 -39.85 116.46 -26.21 3 0 13.29-999 ?-999 ?-999 ? ZN ZN A 401 mTYR.A 106 -37.54 117.46 -24.13 -38.27 118.13 -24.06 -35.90 117.93 -22.27 -34.86 118.39 -21.84 -36.13 117.74 -23.78 -35.59 118.95 -24.62 3 0 12.81-999 ?-999 ?-999 ? ZN ZN A 401 mGLY~A 107 -36.87 117.51 -21.46 -37.58 116.98 -21.92 -36.16 116.79 -19.14 -35.23 116.11 -19.60 -36.84 117.84 -20.01-999.99-999.99-999.99 1 0 9.03-999 ?-999 ?-999 ? ZN ZN A 401 mVAL~A 108 -36.67 116.65 -17.90 -37.55 117.10 -17.77 -35.67 114.48 -17.24 -34.56 114.00 -17.00 -36.00 115.90 -16.85 -36.84 115.94 -15.51 3 0 6.48-999 ?-999 ?-999 ? ZN ZN A 401 mASN~A 109 -36.61 113.84 -17.88 -37.40 114.40 -18.11 -35.60 112.08 -19.46 -34.86 111.11 -19.45 -36.45 112.42 -18.22 -37.82 111.74 -18.14 2 0 8.53-999 ?-999 ?-999 ? ZN ZN A 401 mMET~A 110 -35.67 112.93 -20.48 -36.46 113.55 -20.44 -33.31 113.11 -20.96 -32.36 112.35 -21.28 -34.67 112.93 -21.56 -34.98 114.04 -22.57 2 0 11.79-999 ?-999 ?-999 ? ZN ZN A 401 mMET~A 111 -33.19 114.09 -20.06 -34.05 114.57 -19.87 -31.35 113.29 -18.60 -30.14 113.04 -18.63 -31.92 114.42 -19.41 -32.07 115.64 -18.49 2 0 11.23-999 ?-999 ?-999 ? ZN ZN A 401 mLEU~A 112 -32.21 112.64 -17.81 -33.12 113.04 -17.75 -31.35 110.33 -18.07 -30.29 109.74 -17.86 -31.81 111.42 -17.10 -32.96 110.91 -16.20 3 0 10.90-999 ?-999 ?-999 ? ZN ZN A 401 mALA~A 113 -32.14 110.04 -19.09 -32.96 110.61 -19.15 -30.49 109.27 -20.78 -29.64 108.37 -20.93 -31.81 108.96 -20.05 -32.90 108.80 -21.03 2 0 13.87-999 ?-999 ?-999 ? ZN ZN A 401 mLYS~A 114 -30.28 110.52 -21.20 -31.07 111.13 -21.09 -27.81 110.72 -20.81 -26.77 110.19 -21.20 -28.96 110.92 -21.77 -28.94 112.38 -22.31 2 0 15.83-999 ?-999 ?-999 ? ZN ZN A 401 mVAL~A 115 -27.96 111.12 -19.54 -28.86 111.52 -19.34 -26.53 109.50 -18.31 -25.35 109.14 -17.99 -26.88 110.98 -18.55 -27.22 111.67 -17.22 3 0 15.58-999 ?-999 ?-999 ? ZN ZN A 401 mMET~A 116 -27.53 108.64 -18.49 -28.41 109.09 -18.68 -26.79 106.50 -19.70 -26.50 105.29 -19.70 -27.36 107.17 -18.44 -28.70 106.52 -18.08 2 0 16.94-999 ?-999 ?-999 ? ZN ZN A 401 mGLY.A 117 -26.61 107.30 -20.74 -26.85 108.25 -20.53 -27.11 106.06 -22.83 -26.70 105.21 -23.59 -26.13 106.90 -22.05-999.99-999.99-999.99 1 0 19.67-999 ?-999 ?-999 ? ZN ZN A 401 mLEU.A 118 -28.41 106.29 -22.66 -28.63 107.05 -22.04 -29.74 105.91 -24.77 -29.37 107.01 -25.20 -29.41 105.49 -23.33 -30.67 105.34 -22.45 3 0 19.17-999 ?-999 ?-999 ? ZN ZN A 401 mLYS^A 119 -30.37 104.99 -25.48 -30.65 104.22 -24.90 -32.14 104.88 -27.11 -32.83 104.37 -26.21 -30.64 105.03 -26.92 -29.97 103.82 -27.65 2 0 21.27-999 ?-999 ?-999 ? ZN ZN A 401 mASN^A 120 -32.63 105.31 -28.27 -31.93 105.73 -28.85 -35.00 105.74 -27.60 -35.92 105.06 -27.17 -34.04 105.19 -28.67 -34.37 103.73 -29.04 2 0 21.37-999 ?-999 ?-999 ? ZN ZN A 401 mILE^A 121 -34.74 106.96 -27.17 -34.01 107.42 -27.68 -36.72 108.19 -26.57 -36.64 109.04 -27.45 -35.46 107.57 -26.06 -34.60 108.69 -25.43 3 0 17.64-999 ?-999 ?-999 ? ZN ZN A 401 mSER^A 122 -37.88 107.78 -26.06 -37.82 106.98 -25.46 -40.00 108.74 -25.18 -40.00 107.98 -24.20 -39.13 108.46 -26.41 -39.94 107.73 -27.49 2 0 17.01-999 ?-999 ?-999 ? ZN ZN A 401 mILE^A 123 -40.71 109.86 -25.25 -40.51 110.41 -26.05 -42.74 109.11 -24.08 -43.17 108.51 -25.08 -41.70 110.23 -24.24 -42.37 111.59 -24.59 3 0 14.43-999 ?-999 ?-999 ? ZN ZN A 401 mILE.A 124 -43.10 108.80 -22.83 -42.53 109.21 -22.12 -45.32 108.67 -21.76 -45.09 109.78 -21.34 -44.23 107.92 -22.56 -43.81 106.60 -21.82 3 0 14.84-999 ?-999 ?-999 ? ZN ZN A 401 mASN.A 125 -46.48 108.03 -21.57 -46.53 107.14 -22.02 -48.10 109.91 -21.36 -48.47 110.84 -20.64 -47.57 108.60 -20.77 -47.13 108.77 -19.31 2 0 14.65-999 ?-999 ?-999 ? ZN ZN A 401 mASN^A 126 -48.16 109.96 -22.69 -48.04 109.07 -23.13 -49.69 111.88 -23.07 -50.70 111.18 -22.89 -48.38 111.21 -23.44 -48.36 110.95 -24.95 2 0 15.80-999 ?-999 ?-999 ? ZN ZN A 401 mGLN^A 127 -49.66 113.21 -22.96 -48.74 113.60 -23.01 -51.76 113.94 -24.07 -51.35 113.37 -25.10 -50.87 114.02 -22.78 -50.49 115.48 -22.43 2 0 16.19-999 ?-999 ?-999 ? ZN ZN A 401 mGLN^A 128 -52.99 114.46 -24.01 -53.27 114.75 -23.09 -54.08 116.05 -25.54 -54.53 116.79 -24.68 -53.82 114.58 -25.23 -55.15 113.83 -25.11 2 0 19.91-999 ?-999 ?-999 ? ZN ZN A 401 mASP^A 129 -53.74 116.46 -26.76 -53.30 115.76 -27.32 -55.36 117.86 -27.94 -55.67 116.99 -28.75 -54.01 117.81 -27.24 -52.93 118.26 -28.24 2 0 21.40-999 ?-999 ?-999 ? ZN ZN A 401 mVAL^A 130 -56.15 118.88 -27.61 -55.79 119.46 -26.89 -57.21 120.13 -29.40 -56.67 121.23 -29.18 -57.44 119.12 -28.28 -58.52 119.61 -27.29 3 0 24.64-999 ?-999 ?-999 ? ZN ZN A 401 mTYR^A 131 -57.59 119.71 -30.61 -57.96 118.78 -30.60 -58.82 120.34 -32.63 -59.33 119.23 -32.76 -57.50 120.50 -31.84 -56.27 120.04 -32.66 3 0 27.40-999 ?-999 ?-999 ? ZN ZN A 401 mTYR^A 132 -59.39 121.44 -33.12 -58.88 122.28 -32.93 -60.42 121.39 -35.36 -59.65 122.22 -35.85 -60.65 121.37 -33.86 -61.58 122.53 -33.49 3 0 31.11-999 ?-999 ?-999 ? ZN ZN A 401 mLYS^A 133 -61.06 120.49 -36.10 -61.46 119.73 -35.58 -62.43 121.39 -37.91 -63.55 120.95 -37.63 -61.15 120.63 -37.55 -61.08 119.30 -38.28 2 0 34.08-999 ?-999 ?-999 ? ZN ZN A 401 mVAL^A 134 -62.23 122.55 -38.52 -61.27 122.74 -38.73 -63.88 123.15 -40.24 -63.13 123.01 -41.20 -63.32 123.46 -38.85 -62.88 124.93 -38.80 3 0 36.87-999 ?-999 ?-999 ? ZN ZN A 401 mGLN^A 135 -65.21 123.06 -40.31 -65.67 123.19 -39.43 -66.96 123.85 -41.84 -67.87 124.08 -41.03 -65.92 122.78 -41.55 -66.57 121.40 -41.50 2 0 40.45-999 ?-999 ?-999 ? ZN ZN A 401 mGLU.A 199 -62.36 122.48 -45.20 -62.68 122.73 -46.11 -60.43 122.50 -43.59 -59.58 122.42 -44.48 -61.89 122.11 -43.86 -62.14 120.62 -43.57 2 0 39.70-999 ?-999 ?-999 ? ZN ZN A 401 mPHE^A 200 -60.16 122.91 -42.35 -60.97 122.92 -41.75 -58.67 123.09 -40.38 -59.65 122.80 -39.69 -58.82 123.31 -41.89 -58.50 124.76 -42.29 3 0 36.60-999 ?-999 ?-999 ? ZN ZN A 401 mMET^A 201 -57.44 123.24 -39.88 -56.77 123.54 -40.56 -57.13 124.25 -37.61 -56.82 125.33 -38.10 -57.11 122.98 -38.47 -55.73 122.30 -38.39 2 0 32.80-999 ?-999 ?-999 ? ZN ZN A 401 mILE^A 202 -57.51 124.10 -36.34 -57.93 123.21 -36.14 -56.91 124.63 -33.95 -57.11 123.45 -33.64 -57.32 125.17 -35.33 -58.55 126.16 -35.21 3 0 30.93-999 ?-999 ?-999 ? ZN ZN A 401 mASP.A 203 -56.34 125.51 -33.13 -56.27 126.43 -33.52 -56.96 125.45 -30.75 -58.07 125.82 -31.11 -55.87 125.16 -31.79 -54.58 125.94 -31.48 2 0 27.40-999 ?-999 ?-999 ? ZN ZN A 401 mALA.A 204 -56.61 125.29 -29.48 -55.66 125.02 -29.36 -58.28 126.83 -28.34 -59.51 126.86 -28.39 -57.53 125.49 -28.34 -56.79 125.26 -27.00 2 0 26.18-999 ?-999 ?-999 ? ZN ZN A 401 mTYR~A 205 -57.51 127.92 -28.27 -56.53 127.71 -28.30 -58.65 129.78 -29.49 -59.49 130.69 -29.49 -58.03 129.28 -28.18 -56.92 130.24 -27.73 3 0 27.92-999 ?-999 ?-999 ? ZN ZN A 401 mGLN~A 206 -58.21 129.19 -30.60 -57.57 128.44 -30.43 -60.17 129.44 -32.19 -60.71 130.05 -33.11 -58.65 129.60 -31.94 -57.86 128.87 -33.04 2 0 30.84-999 ?-999 ?-999 ? ZN ZN A 401 mLYS~A 207 -60.83 128.63 -31.35 -60.25 128.27 -30.62 -63.21 129.47 -31.26 -64.35 129.46 -31.73 -62.26 128.30 -31.49 -62.64 127.14 -30.56 2 0 32.42-999 ?-999 ?-999 ? ZN ZN A 401 mSER~A 208 -62.75 130.48 -30.52 -61.82 130.35 -30.19 -63.51 132.64 -31.38 -64.55 133.02 -31.94 -63.56 131.66 -30.21 -63.07 132.34 -28.93 2 0 33.95-999 ?-999 ?-999 ? ZN ZN A 401 mARG~A 209 -62.29 133.04 -31.74 -61.56 132.58 -31.23 -62.47 133.57 -34.16 -62.87 134.39 -34.97 -62.03 134.04 -32.77 -60.55 134.41 -32.79 2 0 35.51-999 ?-999 ?-999 ? ZN ZN A 401 mALA~A 210 -62.39 132.27 -34.41 -62.03 131.72 -33.65 -64.33 131.84 -35.95 -64.76 131.95 -37.10 -62.81 131.70 -35.70 -62.36 130.26 -35.83 2 0 36.79-999 ?-999 ?-999 ? ZN ZN A 401 mGLU~A 211 -65.12 131.83 -34.88 -64.67 131.56 -34.02 -66.64 133.71 -35.16 -67.36 134.19 -36.03 -66.54 132.19 -34.97 -67.31 131.80 -33.71 2 0 39.00-999 ?-999 ?-999 ? ZN ZN A 401 mGLN~A 212 -65.89 134.44 -34.34 -65.36 133.89 -33.70 -65.39 136.43 -35.74 -65.76 137.54 -36.13 -65.85 135.90 -34.37 -64.94 136.41 -33.24 2 0 39.82-999 ?-999 ?-999 ? ZN ZN A 401 mLEU~A 213 -64.60 135.61 -36.44 -64.34 134.79 -35.94 -65.09 135.34 -38.90 -65.44 136.05 -39.84 -64.14 135.89 -37.82 -62.72 135.36 -38.03 3 0 40.84-999 ?-999 ?-999 ? ZN ZN A 401 mILE~A 214 -65.51 134.07 -38.74 -65.16 133.65 -37.91 -67.85 133.90 -39.73 -68.61 133.56 -40.65 -66.39 133.39 -39.71 -66.35 131.87 -39.49 3 0 42.39-999 ?-999 ?-999 ? ZN ZN A 401 mLYS~A 215 -68.23 134.70 -38.73 -67.53 134.82 -38.02 -69.52 136.76 -39.25 -70.13 137.69 -38.70 -69.55 135.33 -38.68 -70.13 135.31 -37.25 2 0 44.59-999 ?-999 ?-999 ? ZN ZN A 401 mGLN.A 216 -68.79 136.92 -40.35 -68.27 136.11 -40.60 -68.47 137.87 -42.60 -67.83 136.87 -42.94 -68.75 138.16 -41.13 -67.71 139.13 -40.56 2 0 46.84-999 ?-999 ?-999 ? ZN ZN A 401 mTHR.A 222 -75.53 135.32 -42.45 -75.26 136.27 -42.60 -74.99 132.90 -42.94 -75.13 132.65 -44.16 -75.93 133.92 -42.23 -77.44 133.70 -42.60 2 0 50.66-999 ?-999 ?-999 ? ZN ZN A 401 mPRO.A 223 -73.96 132.39 -42.22 -73.79 132.92 -41.38 -73.32 129.96 -41.62 -73.32 130.10 -40.38 -73.16 131.20 -42.56 -71.72 131.75 -42.46 3 0 48.02-999 ?-999 ?-999 ? ZN ZN A 401 mVAL.A 224 -73.41 128.76 -42.22 -73.41 128.83 -43.21 -72.14 126.78 -41.34 -71.57 126.30 -42.34 -73.52 127.48 -41.49 -74.53 126.51 -42.19 3 0 46.58-999 ?-999 ?-999 ? ZN ZN A 401 mPHE.A 225 -71.61 126.72 -40.11 -72.22 127.08 -39.40 -70.17 125.13 -38.71 -71.13 124.96 -37.94 -70.26 126.17 -39.86 -69.21 127.30 -39.70 3 0 42.87-999 ?-999 ?-999 ? ZN ZN A 401 mASP^A 226 -69.04 124.43 -38.62 -68.35 124.67 -39.31 -67.42 123.31 -37.07 -66.45 123.29 -37.83 -68.84 123.38 -37.61 -69.19 121.99 -38.15 2 0 39.81-999 ?-999 ?-999 ? ZN ZN A 401 mPHE^A 227 -67.32 123.22 -35.75 -68.18 123.41 -35.27 -66.06 121.44 -34.58 -66.77 121.09 -33.64 -66.07 122.89 -35.07 -65.85 123.83 -33.89 3 0 36.02-999 ?-999 ?-999 ? ZN ZN A 401 mILE^A 228 -65.26 120.60 -35.22 -64.75 121.00 -35.98 -63.96 118.95 -33.90 -62.81 119.12 -34.31 -65.17 119.20 -34.81 -65.13 118.23 -36.02 3 0 34.73-999 ?-999 ?-999 ? ZN ZN A 401 mGLU^A 229 -64.23 118.54 -32.66 -65.21 118.49 -32.45 -62.41 116.99 -32.20 -62.99 115.94 -32.44 -63.17 118.19 -31.70 -63.76 117.89 -30.31 2 0 31.11-999 ?-999 ?-999 ? ZN ZN A 401 mILE^A 230 -61.11 117.15 -32.40 -60.81 118.11 -32.37 -59.16 116.00 -31.53 -58.67 117.04 -31.09 -60.22 116.02 -32.65 -59.63 116.03 -34.09 3 0 29.57-999 ?-999 ?-999 ? ZN ZN A 401 mLYS^A 231 -58.88 114.79 -31.03 -59.39 114.06 -31.48 -56.67 114.00 -30.56 -56.70 113.06 -31.35 -57.94 114.56 -29.95 -58.51 113.54 -28.95 2 0 26.13-999 ?-999 ?-999 ? ZN ZN A 401 mGLN^A 232 -55.55 114.59 -30.16 -55.68 115.26 -29.43 -53.28 113.88 -29.60 -53.18 114.60 -28.60 -54.25 114.27 -30.73 -53.75 115.54 -31.41 2 0 24.31-999 ?-999 ?-999 ? ZN ZN A 401 mTHR^A 233 -52.57 112.77 -29.77 -52.85 112.23 -30.56 -50.46 113.50 -28.81 -49.93 113.89 -29.83 -51.48 112.38 -28.84 -50.81 111.05 -29.24 2 0 21.48-999 ?-999 ?-999 ? ZN ZN A 401 mSER^A 234 -50.22 114.01 -27.61 -50.77 113.59 -26.88 -47.81 114.65 -27.51 -47.50 113.46 -27.47 -49.27 115.09 -27.36 -49.49 115.60 -25.95 2 0 18.67-999 ?-999 ?-999 ? ZN ZN A 401 mLEU^A 235 -46.94 115.63 -27.68 -47.36 116.52 -27.84 -45.04 115.33 -26.18 -43.94 114.86 -25.90 -45.49 115.43 -27.64 -44.76 116.61 -28.29 3 0 17.24-999 ?-999 ?-999 ? ZN ZN A 401 mTYR^A 236 -45.89 115.82 -25.27 -46.79 116.04 -25.65 -46.05 114.79 -23.10 -47.15 114.29 -23.36 -45.56 116.00 -23.87 -46.20 117.31 -23.35 3 0 13.77-999 ?-999 ?-999 ? ZN ZN A 401 mGLY^A 237 -45.23 114.31 -22.17 -44.34 114.75 -22.12 -44.68 112.93 -20.16 -43.49 113.26 -20.27 -45.65 113.20 -21.30-999.99-999.99-999.99 1 0 12.04-999 ?-999 ?-999 ? ZN ZN A 401 mLEU.A 238 -45.18 112.32 -19.09 -46.14 112.05 -19.18 -43.62 110.76 -18.04 -44.20 109.67 -17.99 -44.38 112.06 -17.90 -45.26 112.00 -16.65 3 0 9.23-999 ?-999 ?-999 ? ZN ZN A 401 mGLY.A 239 -42.31 110.88 -18.16 -41.95 111.81 -18.10 -40.95 109.56 -19.79 -41.46 110.18 -20.74 -41.47 109.72 -18.36-999.99-999.99-999.99 1 0 9.93-999 ?-999 ?-999 ? ZN ZN A 401 mVAL^A 240 -39.89 108.77 -19.92 -39.48 108.52 -19.04 -39.19 106.83 -21.14 -39.02 106.32 -20.03 -39.36 108.32 -21.22 -38.02 108.99 -21.64 3 0 12.80-999 ?-999 ?-999 ? ZN ZN A 401 mMET^A 241 -39.32 106.13 -22.28 -39.78 106.64 -23.01 -37.54 104.87 -23.26 -37.46 105.72 -24.13 -38.84 104.75 -22.44 -39.87 103.89 -23.21 2 0 16.18-999 ?-999 ?-999 ? ZN ZN A 401 mALA^A 242 -36.57 104.00 -23.02 -36.80 103.29 -22.36 -34.64 102.71 -23.54 -35.22 101.79 -22.93 -35.28 104.10 -23.67 -34.41 105.16 -22.99 2 0 18.00-999 ?-999 ?-999 ? ZN ZN A 401 mGLU^A 243 -33.44 102.56 -24.07 -33.02 103.37 -24.47 -31.32 101.31 -23.93 -30.71 102.30 -24.30 -32.83 101.26 -24.03 -33.31 100.40 -25.19 2 0 20.95-999 ?-999 ?-999 ? ZN ZN A 401 mVAL^A 244 -30.74 100.27 -23.34 -31.36 99.65 -22.86 -28.92 99.51 -24.80 -29.75 98.87 -25.44 -29.29 100.10 -23.42 -28.78 99.14 -22.35 3 0 22.83-999 ?-999 ?-999 ? ZN ZN A 401 mASP^A 245 -27.68 99.74 -25.23 -27.18 100.36 -24.62 -27.13 97.62 -26.44 -27.48 96.96 -27.45 -27.10 99.13 -26.45 -25.62 99.57 -26.57 2 0 26.18-999 ?-999 ?-999 ? ZN ZN A 401 mASN^A 246 -26.73 97.07 -25.30 -26.43 97.71 -24.59 -27.34 95.32 -23.79 -27.14 96.03 -22.83 -26.73 95.64 -25.11 -25.31 95.10 -25.18 2 0 28.13-999 ?-999 ?-999 ? ZN ZN A 401 mGLN^A 247 -28.12 94.26 -23.79 -28.29 93.88 -24.70 -27.66 93.60 -21.49 -26.51 93.19 -21.70 -28.68 93.69 -22.61 -29.17 92.31 -22.97 2 0 27.72-999 ?-999 ?-999 ? ZN ZN A 401 mMET^A 248 -28.09 93.95 -20.29 -29.02 94.29 -20.25 -28.05 93.36 -17.96 -29.28 93.44 -18.01 -27.22 93.82 -19.14 -26.41 95.10 -18.88 2 0 27.04-999 ?-999 ?-999 ? ZN ZN A 401 mTHR^A 249 -27.39 92.83 -16.94 -26.40 92.73 -17.05 -28.68 93.68 -14.99 -28.14 94.80 -15.11 -28.13 92.44 -15.75 -27.36 91.51 -14.81 2 0 27.09-999 ?-999 ?-999 ? ZN ZN A 401 mLEU~A 250 -29.77 93.46 -14.25 -30.16 92.55 -14.35 -29.30 95.08 -12.42 -29.18 96.29 -12.31 -30.35 94.48 -13.37 -31.53 93.90 -12.58 3 0 24.06-999 ?-999 ?-999 ? ZN ZN A 401 mGLU~A 251 -28.54 94.23 -11.74 -28.81 93.27 -11.87 -26.37 95.53 -11.64 -25.95 96.59 -11.14 -27.42 94.67 -10.90 -26.72 93.43 -10.38 2 0 24.98-999 ?-999 ?-999 ? ZN ZN A 402 mASP~A 252 -25.93 95.07 -12.80 -26.32 94.19 -13.08 -25.51 97.20 -14.06 -24.79 98.22 -14.05 -24.95 95.83 -13.58 -24.45 95.00 -14.78 2 0 25.50-999 ?-999 ?-999 ? ZN ZN A 401 mPHE~A 253 -26.77 97.21 -14.49 -27.23 96.32 -14.49 -27.53 99.44 -13.76 -27.15 100.61 -13.91 -27.41 98.46 -14.92 -28.75 98.22 -15.63 3 0 22.14-999 ?-999 ?-999 ? ZN ZN A 401 mALA~A 254 -28.01 98.97 -12.60 -28.31 98.02 -12.65 -26.68 100.40 -11.03 -26.57 101.58 -10.71 -28.06 99.81 -11.39 -28.64 99.01 -10.20 2 0 20.36-999 ?-999 ?-999 ? ZN ZN A 402 mALA~A 255 -25.64 99.56 -11.06 -25.88 98.61 -11.29 -23.79 101.00 -11.83 -23.16 102.00 -11.48 -24.26 100.00 -10.80 -23.24 98.73 -10.72 2 0 22.44-999 ?-999 ?-999 ? ZN ZN A 402 mASP~A 256 -24.14 100.76 -13.09 -24.68 99.93 -13.23 -24.34 103.06 -13.97 -23.63 104.05 -14.07 -23.76 101.65 -14.18 -24.24 101.11 -15.51 2 0 21.94-999 ?-999 ?-999 ? ZN ZN A 401 mILE~A 257 -25.64 103.14 -13.68 -26.10 102.25 -13.63 -25.89 105.12 -12.14 -25.76 106.35 -12.11 -26.29 104.44 -13.47 -27.83 104.40 -13.77 3 0 18.13-999 ?-999 ?-999 ? ZN ZN A 401 mLYS~A 258 -25.60 104.32 -11.10 -25.81 103.35 -11.24 -23.79 105.67 -10.19 -23.62 106.82 -9.70 -25.04 104.86 -9.89 -24.75 103.73 -8.88 2 0 18.43-999 ?-999 ?-999 ? ZN ZN A 402 mSER~A 259 -22.88 105.05 -10.96 -23.14 104.12 -11.24 -21.88 106.89 -12.25 -21.39 107.94 -11.98 -21.63 105.68 -11.35 -20.72 104.66 -12.10 2 0 20.91-999 ?-999 ?-999 ? ZN ZN A 402 mLYS~A 260 -22.66 106.73 -13.31 -23.03 105.81 -13.40 -23.58 109.07 -13.56 -23.25 110.19 -13.88 -22.91 107.85 -14.23 -23.73 107.39 -15.45 2 0 19.03-999 ?-999 ?-999 ? ZN ZN A 401 mLEU~A 261 -24.48 108.84 -12.61 -24.65 107.87 -12.42 -24.49 110.40 -10.63 -25.04 111.24 -9.93 -25.15 109.96 -11.92 -26.62 109.63 -11.66 3 0 15.89-999 ?-999 ?-999 ? ZN ZN A 401 mASN.A 262 -23.31 109.84 -10.33 -22.98 109.21 -11.04 -23.50 109.96 -7.87 -23.60 110.85 -7.05 -22.59 110.12 -9.10 -21.99 111.54 -9.12 2 0 17.83-999 ?-999 ?-999 ? ZN ZN A 402 mILE.A 263 -24.17 108.81 -7.77 -23.97 108.16 -8.50 -24.41 107.84 -5.53 -23.72 106.88 -5.80 -25.12 108.58 -6.64 -26.34 107.74 -7.11 3 0 16.20-999 ?-999 ?-999 ? ZN ZN A 402 mPRO.A 264 -24.51 108.31 -4.28 -25.07 109.14 -4.18 -24.31 106.25 -2.88 -23.53 105.41 -2.39 -23.84 107.65 -3.17 -24.13 108.59 -1.97 3 0 18.35-999 ?-999 ?-999 ? ZN ZN A 402 mSER.A 265 -25.59 105.99 -3.17 -26.04 106.76 -3.63 -27.41 104.56 -3.81 -28.21 105.48 -4.00 -26.26 104.74 -2.86 -26.80 104.75 -1.42 2 0 18.21-999 ?-999 ?-999 ? ZN ZN A 402 mVAL.A 266 -27.48 103.40 -4.45 -26.67 102.82 -4.33 -29.24 101.72 -4.67 -28.51 100.90 -4.05 -28.67 103.03 -5.24 -28.23 102.93 -6.74 3 0 17.31-999 ?-999 ?-999 ? ZN ZN A 402 mARG^A 267 -30.52 101.51 -4.86 -30.99 102.27 -5.31 -32.10 99.75 -5.55 -32.69 100.56 -6.24 -31.18 100.25 -4.45 -31.95 100.36 -3.11 2 0 18.45-999 ?-999 ?-999 ? ZN ZN A 402 mPHE^A 268 -32.18 98.43 -5.73 -31.64 97.86 -5.11 -33.93 96.77 -6.25 -33.67 96.16 -5.22 -33.03 97.89 -6.77 -32.26 97.46 -8.05 3 0 19.16-999 ?-999 ?-999 ? ZN ZN B 401 mVAL^A 269 -34.99 96.54 -6.99 -35.04 97.13 -7.79 -36.04 94.56 -7.84 -36.27 94.95 -8.98 -35.99 95.53 -6.65 -37.38 96.15 -6.41 3 0 17.80-999 ?-999 ?-999 ? ZN ZN B 401 mGLY.A 270 -35.76 93.29 -7.58 -35.56 93.10 -6.62 -34.50 91.48 -8.55 -33.56 91.90 -7.87 -35.76 92.29 -8.66-999.99-999.99-999.99 1 0 20.46-999 ?-999 ?-999 ? ZN ZN B 401 mGLU.A 271 -34.47 90.31 -9.19 -35.29 90.10 -9.72 -32.10 90.12 -9.73 -32.27 90.77 -10.76 -33.29 89.42 -9.09 -33.57 88.08 -9.82 2 0 22.95-999 ?-999 ?-999 ? ZN ZN B 401 mSER.A 272 -30.90 89.99 -9.14 -30.85 89.36 -8.37 -29.41 90.36 -11.08 -28.88 91.15 -11.82 -29.78 90.76 -9.64 -28.57 90.66 -8.70 2 0 24.72-999 ?-999 ?-999 ? ZN ZN B 401 mASN.A 273 -29.73 89.12 -11.45 -30.21 88.59 -10.75 -30.57 88.73 -13.79 -30.47 88.22 -14.89 -29.42 88.59 -12.77 -28.95 87.11 -12.66 2 0 28.06-999 ?-999 ?-999 ? ZN ZN B 401 mGLN.A 274 -31.67 89.41 -13.44 -31.74 89.62 -12.46 -32.03 90.56 -15.60 -31.13 91.36 -15.38 -32.69 89.79 -14.45 -33.75 90.75 -13.85 2 0 27.47-999 ?-999 ?-999 ? ZN ZN B 401 mLYS^A 275 -32.48 90.31 -16.81 -33.24 89.66 -16.85 -32.71 92.18 -18.37 -33.95 92.15 -18.48 -31.91 90.95 -17.97 -31.79 89.95 -19.13 2 0 27.57-999 ?-999 ?-999 ? ZN ZN A 401 mILE^A 276 -31.98 93.27 -18.58 -30.99 93.10 -18.53 -32.20 95.03 -20.25 -31.01 95.04 -20.63 -32.57 94.58 -18.86 -31.97 95.64 -17.87 3 0 24.28-999 ?-999 ?-999 ? ZN ZN A 401 mLYS^A 277 -33.20 95.41 -21.02 -34.11 95.22 -20.64 -33.76 97.39 -22.40 -33.19 98.42 -22.73 -32.97 96.06 -22.32 -33.38 95.11 -23.47 2 0 24.16-999 ?-999 ?-999 ? ZN ZN A 401 mARG^A 278 -35.05 97.34 -22.11 -35.38 96.44 -21.83 -36.15 99.10 -20.77 -36.45 98.38 -19.83 -35.92 98.51 -22.18 -37.25 98.15 -22.85 2 0 21.35-999 ?-999 ?-999 ? ZN ZN A 401 mILE^A 279 -35.98 100.40 -20.66 -35.83 100.86 -21.54 -36.95 102.27 -19.39 -36.84 103.14 -20.27 -35.99 101.10 -19.36 -34.59 101.64 -18.97 3 0 17.77-999 ?-999 ?-999 ? ZN ZN A 401 mALA^A 280 -37.83 102.33 -18.38 -37.81 101.52 -17.79 -38.24 104.30 -17.02 -37.85 103.78 -15.97 -38.75 103.47 -18.17 -40.17 102.98 -17.87 2 0 14.78-999 ?-999 ?-999 ? ZN ZN A 401 mILE^A 281 -38.19 105.60 -17.23 -38.56 105.89 -18.12 -38.63 107.64 -15.92 -39.10 108.32 -16.85 -37.63 106.50 -16.23 -36.33 107.19 -16.77 3 0 11.35-999 ?-999 ?-999 ? ZN ZN A 401 mILE.A 282 -38.94 107.84 -14.64 -38.68 107.09 -14.03 -38.80 109.63 -13.03 -38.79 109.07 -11.91 -39.61 109.08 -14.18 -41.08 108.84 -13.73 3 0 8.02-999 ?-999 ?-999 ? ZN ZN A 401 mGLY.A 283 -38.13 110.74 -13.28 -38.22 111.09 -14.22 -38.18 111.91 -11.11 -39.32 112.34 -11.34 -37.34 111.36 -12.24-999.99-999.99-999.99 1 0 5.77-999 ?-999 ?-999 ? ZN ZN A 401 mGLY.A 284 -37.63 111.91 -9.89 -36.71 111.51 -9.83 -39.05 111.37 -7.96 -38.40 110.54 -7.34 -38.37 112.47 -8.74-999.99-999.99-999.99 1 0 4.19-999 ?-999 ?-999 ? ZN ZN A 402 mSER.A 285 -40.37 111.32 -8.03 -40.77 112.00 -8.65 -42.23 109.90 -8.20 -43.27 110.52 -8.32 -41.15 110.37 -7.29 -41.73 111.03 -6.03 2 0 6.47-999 ?-999 ?-999 ? ZN ZN A 402 mGLY.A 286 -41.94 108.80 -8.90 -41.10 108.35 -8.62 -43.53 107.02 -9.67 -44.21 106.51 -10.54 -42.79 108.31 -9.97-999.99-999.99-999.99 1 0 9.05-999 ?-999 ?-999 ? ZN ZN A 401 mILE.A 287 -43.42 106.50 -8.46 -42.74 106.98 -7.89 -45.70 105.64 -8.21 -46.15 106.74 -7.91 -44.22 105.34 -8.02 -43.85 104.89 -6.57 3 0 12.24-999 ?-999 ?-999 ? ZN ZN A 402 mGLY.A 288 -46.44 104.67 -8.75 -45.95 103.80 -8.78 -47.83 104.50 -10.75 -48.83 104.03 -11.29 -47.81 104.86 -9.26-999.99-999.99-999.99 1 0 14.54-999 ?-999 ?-999 ? ZN ZN A 401 mTYR~A 289 -46.68 104.68 -11.41 -45.92 105.00 -10.84 -45.82 103.15 -13.23 -45.70 102.86 -14.40 -46.56 104.43 -12.84 -45.81 105.59 -13.48 3 0 14.12-999 ?-999 ?-999 ? ZN ZN A 401 mGLU~A 290 -45.29 102.41 -12.25 -45.50 102.72 -11.33 -45.19 100.10 -13.33 -44.57 99.45 -14.19 -44.45 101.25 -12.59 -43.71 100.70 -11.36 2 0 16.18-999 ?-999 ?-999 ? ZN ZN A 401 mTYR~A 291 -46.46 99.85 -12.98 -46.80 100.44 -12.25 -47.55 99.12 -15.12 -47.42 98.25 -16.01 -47.27 98.80 -13.64 -48.59 98.47 -12.83 3 0 19.55-999 ?-999 ?-999 ? ZN ZN A 401 mGLN~A 292 -47.92 100.37 -15.36 -48.04 100.91 -14.52 -46.85 100.80 -17.55 -46.90 100.47 -18.74 -48.13 100.91 -16.71 -48.55 102.38 -16.66 2 0 18.65-999 ?-999 ?-999 ? ZN ZN A 401 mALA~A 293 -45.70 101.11 -16.93 -45.79 101.36 -15.97 -44.12 99.67 -18.14 -43.69 99.49 -19.27 -44.42 101.07 -17.63 -43.28 101.58 -16.75 2 0 17.42-999 ?-999 ?-999 ? ZN ZN A 401 mVAL~A 294 -44.33 98.68 -17.28 -44.60 98.98 -16.37 -45.15 96.94 -18.81 -44.77 96.24 -19.75 -44.19 97.29 -17.65 -44.34 96.38 -16.40 3 0 20.82-999 ?-999 ?-999 ? ZN ZN A 401 mGLN~A 295 -46.38 97.44 -18.75 -46.58 97.94 -17.91 -46.92 98.02 -21.12 -47.36 97.67 -22.21 -47.33 97.25 -19.85 -48.77 97.61 -19.42 2 0 22.49-999 ?-999 ?-999 ? ZN ZN A 401 mGLN~A 296 -46.09 99.04 -20.97 -45.87 99.26 -20.02 -44.26 99.10 -22.70 -43.62 99.61 -23.63 -45.55 99.78 -22.14 -45.35 101.27 -21.79 2 0 20.81-999 ?-999 ?-999 ? ZN ZN A 401 mGLY.A 297 -43.86 97.97 -22.12 -44.49 97.65 -21.40 -41.37 97.36 -21.63 -40.38 96.73 -21.97 -42.64 97.26 -22.49-999.99-999.99-999.99 1 0 22.49-999 ?-999 ?-999 ? ZN ZN A 401 mALA.A 298 -41.37 98.12 -20.53 -42.24 98.57 -20.32 -39.76 96.95 -19.01 -40.64 96.17 -18.57 -40.16 98.25 -19.72 -40.31 99.39 -18.70 2 0 20.15-999 ?-999 ?-999 ? ZN ZN A 401 mASP.A 299 -38.45 96.68 -18.96 -37.88 97.28 -19.53 -37.72 96.10 -16.69 -37.68 95.30 -15.76 -37.90 95.61 -18.15 -36.54 95.17 -18.71 2 0 22.12-999 ?-999 ?-999 ? ZN ZN A 401 mVAL^A 300 -37.55 97.41 -16.53 -37.61 97.92 -17.39 -37.88 99.49 -15.21 -37.90 100.18 -16.24 -37.31 98.05 -15.24 -35.80 98.00 -14.84 3 0 19.09-999 ?-999 ?-999 ? ZN ZN A 401 mPHE^A 301 -38.43 99.88 -14.05 -38.50 99.16 -13.36 -37.91 101.97 -12.89 -37.64 101.53 -11.77 -38.89 101.25 -13.84 -40.35 101.24 -13.27 3 0 15.57-999 ?-999 ?-999 ? ZN ZN A 401 mVAL^A 302 -37.38 103.10 -13.36 -37.74 103.37 -14.26 -37.00 105.16 -12.11 -37.64 105.87 -12.87 -36.35 103.87 -12.63 -35.13 104.22 -13.54 3 0 13.21-999 ?-999 ?-999 ? ZN ZN A 401 mTHR^A 303 -36.90 105.40 -10.80 -36.40 104.70 -10.29 -36.77 106.85 -8.84 -35.74 106.25 -8.57 -37.48 106.60 -10.18 -39.06 106.49 -10.05 2 0 10.30-999 ?-999 ?-999 ? ZN ZN A 402 mGLY.A 304 -37.27 107.78 -8.02 -38.04 108.29 -8.41 -37.79 107.83 -5.60 -38.96 107.61 -5.92 -36.73 108.01 -6.68-999.99-999.99-999.99 1 0 8.93-999 ?-999 ?-999 ? ZN ZN A 402 mASP.A 305 -37.40 107.95 -4.33 -36.41 107.99 -4.21 -39.22 106.71 -3.18 -40.42 106.75 -2.89 -38.38 108.02 -3.22 -39.33 109.24 -3.42 2 0 9.74-999 ?-999 ?-999 ? ZN ZN A 402 mILE.A 306 -38.61 105.57 -3.44 -37.64 105.65 -3.66 -39.47 103.87 -1.94 -38.46 103.85 -1.25 -39.37 104.32 -3.39 -38.75 103.22 -4.27 3 0 13.00-999 ?-999 ?-999 ? ZN ZN A 402 mLYS~A 307 -40.69 103.57 -1.49 -41.44 103.69 -2.15 -41.11 101.56 -0.06 -41.42 100.90 -1.08 -40.89 103.09 -0.15 -42.04 103.85 0.51 2 0 10.48-999 ?-999 ?-999 ? ZN ZN B 401 mHIS~A 308 -40.92 101.03 1.16 -40.80 101.71 1.87 -42.09 98.86 0.80 -41.89 97.85 0.14 -40.91 99.60 1.42 -40.87 99.31 2.93 3 0 8.13-999 ?-999 ?-999 ? ZN ZN B 401 mHIS~A 309 -43.31 99.35 1.03 -43.32 100.25 1.45 -44.73 98.60 -0.84 -45.24 97.64 -1.42 -44.50 98.57 0.66 -45.76 99.02 1.46 3 0 8.23-999 ?-999 ?-999 ? ZN ZN B 401 mASP~A 310 -44.41 99.71 -1.45 -44.15 100.47 -0.85 -43.37 98.91 -3.56 -43.62 98.33 -4.61 -44.45 99.79 -2.90 -44.34 101.21 -3.37 2 0 11.82-999 ?-999 ?-999 ? ZN ZN B 401 mALA~A 311 -42.19 98.85 -2.97 -42.08 99.45 -2.18 -41.54 96.47 -3.30 -41.26 95.62 -4.14 -41.15 97.96 -3.49 -39.81 98.24 -2.76 2 0 12.73-999 ?-999 ?-999 ? ZN ZN B 401 mLEU~A 312 -42.13 96.16 -2.14 -42.27 96.95 -1.53 -43.63 94.28 -2.77 -43.53 93.19 -3.32 -42.54 94.78 -1.81 -42.97 94.69 -0.33 3 0 11.52-999 ?-999 ?-999 ? ZN ZN B 401 mASP~A 313 -44.64 95.12 -3.00 -44.64 95.91 -2.39 -45.07 94.62 -5.44 -45.40 93.58 -6.11 -45.66 94.89 -4.06 -46.65 96.06 -4.18 2 0 13.61-999 ?-999 ?-999 ? ZN ZN B 401 mALA~A 314 -44.18 95.52 -5.90 -44.03 96.31 -5.30 -42.78 93.98 -7.21 -42.85 93.25 -8.19 -43.51 95.31 -7.19 -42.51 96.46 -7.49 2 0 16.45-999 ?-999 ?-999 ? ZN ZN B 401 mLYS~A 315 -42.02 93.71 -6.14 -42.03 94.40 -5.42 -42.15 91.21 -6.25 -41.87 90.35 -7.11 -41.26 92.47 -6.07 -40.42 92.43 -4.79 2 0 16.47-999 ?-999 ?-999 ? ZN ZN B 401 mILE~A 316 -43.26 91.17 -5.52 -43.38 91.97 -4.94 -44.86 89.94 -6.93 -45.10 88.82 -7.39 -44.21 90.04 -5.57 -45.28 90.15 -4.45 3 0 16.89-999 ?-999 ?-999 ? ZN ZN B 401 mHIS~A 317 -45.16 91.08 -7.57 -45.00 91.92 -7.05 -44.63 90.88 -10.06 -44.99 90.95 -11.22 -45.67 91.06 -8.94 -46.54 92.29 -9.24 3 0 19.50-999 ?-999 ?-999 ? ZN ZN B 401 mGLY.A 318 -43.35 90.74 -9.73 -43.18 90.73 -8.75 -42.02 91.89 -11.53 -41.54 91.86 -12.65 -42.31 90.61 -10.78-999.99-999.99-999.99 1 0 21.36-999 ?-999 ?-999 ? ZN ZN B 401 mVAL.A 319 -42.29 93.04 -10.90 -42.72 92.93 -10.00 -40.65 94.84 -10.95 -40.50 94.98 -9.72 -41.97 94.33 -11.50 -43.07 95.34 -11.29 3 0 20.97-999 ?-999 ?-999 ? ZN ZN B 401 mASN.A 320 -39.69 95.08 -11.83 -39.96 94.99 -12.79 -38.29 96.98 -11.27 -38.86 97.71 -12.08 -38.35 95.46 -11.39 -37.23 94.97 -12.31 2 0 21.21-999 ?-999 ?-999 ? ZN ZN A 401 mLEU^A 321 -37.62 97.42 -10.23 -37.25 96.69 -9.66 -36.01 99.19 -9.65 -35.24 98.35 -9.15 -37.45 98.85 -9.95 -38.24 99.25 -8.68 3 0 17.85-999 ?-999 ?-999 ? ZN ZN A 402 mILE^A 322 -35.69 100.46 -9.85 -36.35 100.99 -10.37 -34.78 102.35 -8.71 -35.44 103.17 -9.35 -34.44 101.00 -9.32 -33.32 101.18 -10.41 3 0 16.27-999 ?-999 ?-999 ? ZN ZN A 402 mASP^A 323 -34.36 102.53 -7.46 -33.97 101.71 -7.04 -33.09 104.51 -6.97 -32.10 104.16 -6.33 -34.46 103.81 -6.78 -34.81 103.62 -5.28 2 0 13.59-999 ?-999 ?-999 ? ZN ZN A 402 mILE.A 324 -33.07 105.53 -7.85 -33.92 105.65 -8.35 -31.89 107.63 -7.12 -30.97 108.50 -7.22 -31.88 106.37 -8.03 -31.70 106.81 -9.53 3 0 12.50-999 ?-999 ?-999 ? ZN ZN A 402 mASN~A 325 -32.91 107.71 -6.25 -33.50 106.90 -6.27 -33.79 110.01 -6.14 -33.41 110.32 -7.26 -33.16 108.85 -5.37 -31.91 109.24 -4.57 2 0 10.08-999 ?-999 ?-999 ? ZN ZN A 402 mHIS~A 326 -34.82 110.60 -5.52 -35.12 110.12 -4.70 -34.35 112.86 -6.36 -34.44 113.52 -7.36 -35.44 111.82 -5.99 -36.33 112.34 -4.86 3 0 -6.31-999 ?-999 ?-999 ? ZN ZN A 402s mTYR~A 327 -33.31 112.96 -5.53 -33.31 112.30 -4.78 -31.59 113.88 -7.15 -31.11 114.90 -7.67 -32.26 113.98 -5.75 -31.22 113.97 -4.64 3 0 7.69-999 ?-999 ?-999 ? ZN ZN A 402 mSER~A 328 -31.62 112.69 -7.78 -31.99 111.93 -7.24 -31.76 113.51 -10.17 -31.18 113.72 -11.22 -31.13 112.55 -9.15 -31.16 111.08 -9.64 2 0 9.06-999 ?-999 ?-999 ? ZN ZN A 402 mGLU~A 329 -32.88 114.16 -9.85 -33.35 113.85 -9.02 -32.35 116.44 -10.82 -32.53 117.28 -11.68 -33.34 115.28 -10.71 -34.70 115.81 -10.33 2 0 6.42-999 ?-999 ?-999 ? ZN ZN A 401s mTYR~A 330 -31.32 116.48 -9.97 -31.34 115.74 -9.30 -29.67 117.65 -11.47 -29.15 118.73 -11.82 -30.27 117.53 -10.05 -29.15 117.33 -9.01 3 0 9.23-999 ?-999 ?-999 ? ZN ZN A 402 mVAL~A 331 -29.70 116.56 -12.26 -30.07 115.74 -11.82 -29.86 117.72 -14.49 -29.32 118.12 -15.54 -29.21 116.62 -13.66 -29.36 115.26 -14.46 3 0 10.59-999 ?-999 ?-999 ? ZN ZN A 401 mMET~A 332 -31.03 118.19 -14.07 -31.39 117.76 -13.24 -30.96 120.62 -14.72 -31.16 121.49 -15.56 -31.68 119.28 -14.84 -33.20 119.41 -14.61 2 0 8.97-999 ?-999 ?-999 ? ZN ZN A 401 mLYS~A 333 -30.10 120.81 -13.72 -30.05 120.05 -13.07 -28.43 122.24 -14.92 -28.50 123.27 -15.63 -29.32 122.04 -13.64 -28.48 122.07 -12.35 2 0 11.79-999 ?-999 ?-999 ? ZN ZN A 401 mGLU~A 334 -27.59 121.26 -15.21 -27.60 120.49 -14.56 -27.60 121.18 -17.63 -27.35 121.82 -18.63 -26.74 121.34 -16.41 -25.62 120.28 -16.42 2 0 14.52-999 ?-999 ?-999 ? ZN ZN A 401 mGLY~A 335 -28.61 120.32 -17.56 -28.75 119.88 -16.67 -30.18 121.35 -19.10 -30.34 121.66 -20.30 -29.44 120.06 -18.71-999.99-999.99-999.99 1 0 12.90-999 ?-999 ?-999 ? ZN ZN A 401 mLEU~A 336 -30.68 122.07 -18.10 -30.52 121.70 -17.18 -30.47 124.44 -18.82 -30.83 125.21 -19.68 -31.42 123.32 -18.37 -32.30 123.77 -17.18 3 0 12.59-999 ?-999 ?-999 ? ZN ZN A 401 mLYS~A 337 -29.27 124.49 -18.25 -29.14 123.80 -17.54 -27.92 125.32 -20.13 -27.84 126.32 -20.84 -28.24 125.46 -18.64 -26.98 125.28 -17.78 2 0 16.05-999 ?-999 ?-999 ? ZN ZN A 401 mTHR~A 338 -27.80 124.08 -20.60 -27.95 123.36 -19.93 -28.62 124.22 -22.90 -28.40 124.89 -23.92 -27.48 123.82 -21.98 -27.12 122.33 -22.23 2 0 17.55-999 ?-999 ?-999 ? ZN ZN A 401 mLEU~A 339 -29.84 123.80 -22.56 -29.87 123.19 -21.77 -31.14 125.74 -23.45 -31.46 126.26 -24.54 -31.01 124.24 -23.33 -32.31 123.70 -22.77 3 0 16.47-999 ?-999 ?-999 ? ZN ZN A 401 mLEU~A 340 -30.96 126.43 -22.33 -30.69 125.87 -21.55 -30.03 128.65 -23.03 -30.30 129.67 -23.66 -31.15 127.89 -22.28 -31.30 128.39 -20.85 3 0 17.72-999 ?-999 ?-999 ? ZN ZN A 401 mMET~A 341 -28.80 128.17 -22.94 -28.69 127.43 -22.28 -28.04 128.62 -25.28 -27.83 129.58 -26.04 -27.73 128.73 -23.77 -26.42 128.09 -23.41 2 0 20.91-999 ?-999 ?-999 ? ZN ZN A 401 mASN~A 342 -28.57 127.47 -25.69 -28.66 126.79 -24.96 -30.14 128.13 -27.55 -30.12 128.65 -28.67 -28.98 127.24 -27.08 -29.33 125.76 -27.31 2 0 21.63-999 ?-999 ?-999 ? ZN ZN A 401 mTRP~A 343 -31.17 128.24 -26.72 -31.09 127.70 -25.88 -31.93 130.58 -27.10 -32.44 131.30 -27.97 -32.32 129.10 -27.01 -33.37 128.97 -25.92 3 0 21.19-999 ?-999 ?-999 ? ZN ZN A 401 mPHE~A 344 -31.06 131.01 -26.18 -30.86 130.33 -25.48 -29.68 132.55 -27.49 -29.82 133.59 -28.13 -30.47 132.34 -26.19 -29.53 132.56 -24.99 3 0 23.36-999 ?-999 ?-999 ? ZN ZN A 401 mASN~A 345 -28.85 131.57 -27.86 -28.82 130.81 -27.22 -28.99 131.91 -30.34 -28.77 132.85 -31.10 -28.08 131.64 -29.13 -27.24 130.39 -29.33 2 0 25.86-999 ?-999 ?-999 ? ZN ZN A 401 mILE~A 346 -30.04 131.10 -30.48 -30.09 130.39 -29.79 -31.57 132.68 -31.64 -31.75 133.20 -32.74 -31.02 131.27 -31.56 -32.20 130.28 -31.42 3 0 26.27-999 ?-999 ?-999 ? ZN ZN A 401 mGLU~A 347 -31.81 133.29 -30.48 -31.54 132.75 -29.68 -31.35 135.71 -30.26 -31.68 136.88 -30.10 -32.41 134.61 -30.36 -33.33 134.66 -29.12 2 0 27.04-999 ?-999 ?-999 ? ZN ZN A 401 mLYS.A 348 -30.08 135.34 -30.34 -29.96 134.36 -30.51 -28.97 137.09 -28.87 -28.68 138.29 -28.88 -28.96 136.28 -30.18 -28.88 137.25 -31.38 2 0 29.12-999 ?-999 ?-999 ? ZN ZN A 401 mILE.A 349 -29.31 136.43 -27.77 -29.58 135.48 -27.94 -27.97 136.76 -25.76 -27.57 135.59 -25.59 -29.30 137.03 -26.43 -30.46 136.47 -25.54 3 0 27.30-999 ?-999 ?-999 ? ZN ZN A 401 mASN.A 350 -27.27 137.81 -25.35 -27.70 138.70 -25.53 -26.09 137.73 -23.19 -25.65 138.71 -22.58 -25.97 137.64 -24.70 -24.92 138.63 -25.22 2 0 28.30-999 ?-999 ?-999 ? ZN ZN A 401 mILE.A 351 -26.70 136.70 -22.61 -27.05 136.02 -23.25 -26.18 135.29 -20.72 -26.38 134.26 -21.35 -26.83 136.59 -21.16 -28.33 136.70 -20.72 3 0 25.58-999 ?-999 ?-999 ? ZN ZN A 401 mASP.A 352 -25.37 135.40 -19.66 -25.27 136.35 -19.35 -25.71 133.38 -18.30 -26.60 133.86 -17.60 -24.69 134.30 -19.01 -23.78 134.83 -17.90 2 0 24.30-999 ?-999 ?-999 ? ZN ZN A 401 mVAL^A 353 -25.56 132.07 -18.49 -24.85 131.87 -19.17 -25.35 130.07 -17.12 -24.43 129.60 -17.80 -26.34 131.02 -17.78 -27.25 130.21 -18.76 3 0 20.53-999 ?-999 ?-999 ? ZN ZN A 401 mGLU^A 354 -25.50 129.81 -15.81 -26.23 130.33 -15.37 -25.59 127.86 -14.35 -26.68 128.24 -13.90 -24.68 128.84 -15.09 -23.79 129.52 -14.07 2 0 19.59-999 ?-999 ?-999 ? ZN ZN A 401 mALA^A 355 -25.15 126.60 -14.26 -24.36 126.40 -14.86 -25.20 125.82 -11.98 -24.01 125.95 -11.81 -25.75 125.60 -13.37 -25.45 124.21 -13.86 2 0 16.58-999 ?-999 ?-999 ? ZN ZN A 401 mSER.A 356 -26.07 125.93 -10.97 -27.03 125.98 -11.25 -24.75 124.73 -9.24 -25.10 123.58 -9.60 -25.62 125.96 -9.58 -26.82 125.96 -8.64 2 0 16.63-999 ?-999 ?-999 ? ZN ZN A 402 mTHR.A 357 -23.66 124.97 -8.53 -23.57 125.92 -8.23 -22.95 123.34 -6.82 -22.30 122.39 -6.38 -22.69 123.90 -8.22 -21.24 124.44 -8.28 2 0 18.09-999 ?-999 ?-999 ? ZN ZN A 402 mILE.A 358 -23.93 123.91 -6.14 -24.43 124.63 -6.62 -24.96 122.14 -4.83 -25.95 121.97 -5.54 -24.22 123.48 -4.80 -25.01 124.56 -4.02 3 0 16.82-999 ?-999 ?-999 ? ZN ZN A 402 mASN.A 359 -24.44 121.18 -4.06 -23.55 121.41 -3.66 -26.17 120.17 -2.74 -25.82 120.39 -1.59 -25.13 119.92 -3.85 -24.17 118.80 -3.45 2 0 15.04-999 ?-999 ?-999 ? ZN ZN A 402 mTHR.A 360 -27.44 120.19 -3.12 -27.57 119.91 -4.07 -29.28 119.39 -1.61 -30.35 119.55 -0.98 -28.53 120.60 -2.22 -29.53 121.54 -2.92 2 0 12.77-999 ?-999 ?-999 ? ZN ZN A 402 mASP.A 361 -28.72 118.19 -1.76 -27.85 118.18 -2.26 -29.42 117.18 0.31 -28.40 117.32 0.92 -29.38 117.02 -1.21 -28.63 115.74 -1.62 2 0 11.92-999 ?-999 ?-999 ? ZN ZN A 402 mPRO.A 362 -30.63 117.15 0.93 -31.43 117.14 0.33 -30.09 115.84 3.04 -29.77 115.86 4.19 -30.69 117.13 2.41 -32.19 117.24 2.70 3 0 13.40-999 ?-999 ?-999 ? ZN ZN A 402 mPHE.A 363 -29.98 114.75 2.27 -30.33 114.88 1.34 -27.93 113.46 2.59 -27.37 113.82 1.54 -29.42 113.50 2.73 -29.99 112.28 1.97 3 0 14.77-999 ?-999 ?-999 ? ZN ZN A 402 mGLN^A 364 -27.30 112.96 3.65 -27.86 112.91 4.48 -25.86 111.00 3.87 -26.46 110.50 4.82 -25.91 112.53 3.61 -25.09 113.32 4.67 2 0 18.04-999 ?-999 ?-999 ? ZN ZN A 402 mTYR^A 365 -25.13 110.28 3.04 -24.55 110.83 2.44 -23.93 108.25 3.66 -22.83 108.77 3.47 -25.16 108.83 3.01 -25.19 108.33 1.56 3 0 19.38-999 ?-999 ?-999 ? ZN ZN A 402 mILE^A 366 -24.12 107.20 4.45 -25.08 106.95 4.59 -23.16 104.97 4.90 -24.22 104.40 4.56 -23.00 106.48 5.06 -22.84 106.79 6.58 3 0 22.74-999 ?-999 ?-999 ? ZN ZN B 401 mALA.B -3 -56.76 63.87 29.46 -56.77 63.62 30.42 -56.31 65.70 27.91 -56.87 66.59 28.57 -56.75 64.25 28.01 -58.10 64.03 27.32 2 0 39.88-999 ?-999 ?-999 ? ZN ZN B 402 mMET.B -2 -55.30 65.89 27.08 -55.09 65.09 26.52 -55.46 68.32 26.66 -56.65 68.18 26.32 -54.57 67.12 26.98 -53.49 66.93 25.90 2 0 36.33-999 ?-999 ?-999 ? ZN ZN B 402 mASP.B -1 -54.90 69.50 26.85 -54.09 69.49 27.44 -54.26 71.24 25.41 -53.55 72.13 25.85 -55.42 70.69 26.24 -55.89 71.67 27.30 2 0 33.22-999 ?-999 ?-999 ? ZN ZN B 402 mPRO.B 0 -54.04 70.67 24.22 -54.59 69.87 23.98 -53.46 72.69 23.00 -54.64 72.94 22.88 -53.01 71.27 23.37 -53.02 70.37 22.13 3 0 30.87-999 ?-999 ?-999 ? ZN ZN B 402 mMET.B 1 -52.52 73.62 22.86 -51.58 73.30 23.03 -53.46 75.01 21.07 -52.85 74.48 20.13 -52.87 74.99 22.48 -51.62 75.90 22.60 2 0 27.21-999 ?-999 ?-999 ? ZN ZN B 402 mLYS~B 2 -54.67 75.60 20.92 -55.10 75.83 21.79 -55.01 77.31 19.17 -54.59 78.11 19.99 -55.28 75.86 19.60 -56.80 75.64 19.64 2 0 26.38-999 ?-999 ?-999 ? ZN ZN B 402 mILE~B 3 -55.27 77.66 17.92 -55.58 76.92 17.33 -55.82 80.02 18.48 -55.32 81.08 18.82 -55.08 79.09 17.52 -55.47 79.33 16.06 3 0 22.98-999 ?-999 ?-999 ? ZN ZN B 402 mALA~B 4 -57.03 79.64 18.92 -57.32 78.74 18.60 -57.14 80.77 21.14 -57.17 81.90 21.61 -57.84 80.49 19.81 -59.22 79.88 20.04 2 0 23.86-999 ?-999 ?-999 ? ZN ZN B 402 mASP~B 5 -56.49 79.75 21.72 -56.64 78.88 21.24 -54.44 80.81 22.65 -54.09 81.67 23.47 -55.64 79.89 22.93 -55.09 78.54 23.42 2 0 24.38-999 ?-999 ?-999 ? ZN ZN B 402 mLEU~B 6 -53.78 80.62 21.51 -54.10 79.85 20.96 -53.17 82.97 21.08 -52.53 83.87 21.59 -52.67 81.53 21.18 -52.02 81.15 19.87 3 0 21.06-999 ?-999 ?-999 ? ZN ZN B 402 mMET~B 7 -54.30 83.19 20.42 -54.74 82.37 20.06 -55.11 85.24 21.54 -54.80 86.45 21.71 -54.85 84.53 20.24 -56.12 84.50 19.38 2 0 19.33-999 ?-999 ?-999 ? ZN ZN B 402 mTHR~B 8 -55.71 84.52 22.49 -56.00 83.62 22.18 -54.61 85.46 24.53 -54.54 86.50 25.16 -55.91 85.05 23.85 -56.63 83.96 24.73 2 0 21.25-999 ?-999 ?-999 ? ZN ZN B 402 mLEU~B 9 -53.61 84.62 24.44 -53.82 83.78 23.93 -51.67 86.16 24.39 -51.20 87.05 25.07 -52.31 84.92 25.05 -51.40 83.69 24.93 3 0 20.37-999 ?-999 ?-999 ? ZN ZN B 402 mLEU~B 10 -51.65 86.20 23.05 -52.02 85.37 22.62 -51.81 88.66 22.68 -51.17 89.71 22.92 -51.12 87.37 22.31 -51.26 87.15 20.79 3 0 16.54-999 ?-999 ?-999 ? ZN ZN B 402 mASP~B 11 -53.14 88.58 22.71 -53.52 87.69 22.47 -53.72 90.18 24.50 -53.79 91.39 24.79 -53.95 89.70 23.06 -55.43 89.37 22.82 2 0 16.93-999 ?-999 ?-999 ? ZN ZN B 402 mHIS~B 12 -53.41 89.25 25.41 -53.35 88.32 25.06 -51.96 90.56 26.87 -52.00 91.60 27.51 -53.18 89.63 26.80 -52.98 88.38 27.69 3 0 19.18-999 ?-999 ?-999 ? ZN ZN B 402 mHIS~B 13 -50.89 90.18 26.18 -51.02 89.38 25.60 -49.45 92.05 25.32 -48.67 92.96 25.59 -49.63 90.89 26.30 -48.45 89.93 26.17 3 0 16.82-999 ?-999 ?-999 ? ZN ZN B 402 mVAL~B 14 -50.18 92.03 24.19 -50.82 91.26 24.15 -51.43 93.23 22.52 -51.75 92.75 21.41 -50.03 93.03 23.11 -49.00 92.59 21.98 3 0 13.39-999 ?-999 ?-999 ? ZN ZN B 402 mPRO~B 15 -52.30 93.86 23.32 -51.88 94.29 24.11 -54.04 94.38 21.62 -53.55 95.44 21.19 -53.74 93.92 23.04 -54.24 94.99 24.02 3 0 14.93-999 ?-999 ?-999 ? ZN ZN B 402 mPHE~B 16 -54.88 93.62 20.91 -55.25 92.83 21.39 -55.94 95.27 19.43 -55.83 95.97 18.43 -55.20 93.96 19.53 -55.95 92.83 18.86 3 0 13.75-999 ?-999 ?-999 ? ZN ZN B 402 mSER~B 17 -56.65 95.63 20.51 -56.61 94.98 21.27 -56.48 98.13 20.54 -56.93 99.22 20.27 -57.40 96.88 20.57 -58.26 96.89 21.85 2 0 15.40-999 ?-999 ?-999 ? ZN ZN B 402 mTHR~B 18 -55.19 97.96 20.81 -54.93 97.02 21.03 -53.80 99.42 19.33 -53.11 100.44 19.08 -54.27 99.11 20.76 -53.10 98.96 21.74 2 0 12.87-999 ?-999 ?-999 ? ZN ZN B 402 mALA~B 19 -54.17 98.54 18.38 -54.66 97.73 18.70 -54.70 99.96 16.49 -55.79 100.21 17.01 -53.87 98.79 16.99 -54.12 97.55 16.16 2 0 10.44-999 ?-999 ?-999 ? ZN ZN B 402 mGLU.B 20 -54.21 100.69 15.48 -53.28 100.44 15.20 -56.26 101.25 14.25 -56.32 100.10 13.85 -54.99 101.78 14.87 -54.19 102.50 13.78 2 0 11.18-999 ?-999 ?-999 ? ZN ZN B 402 mSER.B 21 -57.29 102.10 14.16 -57.09 103.03 14.47 -58.58 101.39 12.16 -59.38 100.60 11.70 -58.60 101.69 13.65 -59.67 102.77 13.95 2 0 14.45-999 ?-999 ?-999 ? ZN ZN B 402 mTRP.B 22 -57.66 101.99 11.41 -57.10 102.67 11.89 -56.78 100.29 9.78 -56.74 99.77 8.67 -57.51 101.65 9.99 -56.77 102.76 9.21 3 0 13.52-999 ?-999 ?-999 ? ZN ZN B 402 mASP.B 23 -56.18 99.75 10.84 -56.40 100.18 11.72 -56.05 97.29 10.53 -57.28 97.24 10.74 -55.26 98.62 10.68 -54.33 98.57 11.88 2 0 10.90-999 ?-999 ?-999 ? ZN ZN B 402 mASN.B 24 -55.35 96.23 10.12 -54.39 96.43 9.92 -55.16 93.90 10.80 -54.12 93.42 10.34 -55.96 94.91 10.00 -56.06 94.54 8.52 2 0 12.35-999 ?-999 ?-999 ? ZN ZN B 402 mVAL.B 25 -55.60 93.60 12.03 -56.51 93.94 12.25 -55.46 91.55 13.44 -56.68 91.43 13.34 -54.76 92.82 12.94 -54.14 93.65 14.12 3 0 11.91-999 ?-999 ?-999 ? ZN ZN B 402 mGLY^B 26 -54.67 90.61 13.98 -53.69 90.81 13.95 -55.10 88.25 13.59 -54.19 88.22 12.74 -55.22 89.41 14.53-999.99-999.99-999.99 1 0 14.44-999 ?-999 ?-999 ? ZN ZN B 402 mLEU^B 27 -56.00 87.27 13.71 -56.67 87.43 14.44 -56.49 86.48 11.47 -57.66 86.80 11.31 -55.99 86.07 12.84 -56.88 84.93 13.43 3 0 17.18-999 ?-999 ?-999 ? ZN ZN B 402 mLEU^B 28 -55.62 86.53 10.46 -54.70 86.21 10.70 -56.44 85.87 8.25 -57.32 86.00 7.38 -56.04 87.04 9.14 -54.90 87.83 8.45 3 0 16.79-999 ?-999 ?-999 ? ZN ZN B 401 mILE^B 29 -55.76 84.75 8.42 -55.09 84.79 9.17 -55.80 82.38 8.50 -54.71 82.18 9.04 -55.97 83.57 7.58 -54.94 83.46 6.43 3 0 19.38-999 ?-999 ?-999 ? ZN ZN B 401 mGLY.B 30 -56.86 81.60 8.69 -57.73 81.92 8.31 -57.99 79.89 10.10 -59.07 80.27 9.72 -56.71 80.35 9.42-999.99-999.99-999.99 1 0 22.35-999 ?-999 ?-999 ? ZN ZN B 402 mASP.B 31 -57.83 79.10 11.15 -56.88 79.03 11.45 -58.61 78.40 13.30 -57.60 77.86 13.69 -58.92 78.41 11.81 -58.98 76.97 11.28 2 0 25.01-999 ?-999 ?-999 ? ZN ZN B 402 mGLU.B 32 -59.44 79.07 14.10 -60.19 79.50 13.59 -59.21 77.80 16.29 -58.63 77.65 17.39 -59.28 79.17 15.59 -60.47 79.94 16.18 2 0 24.81-999 ?-999 ?-999 ? ZN ZN B 402 mASP.B 33 -59.81 76.81 15.65 -60.11 77.04 14.73 -58.78 74.62 16.07 -58.62 73.60 16.75 -60.01 75.50 16.25 -61.26 74.82 15.61 2 0 28.29-999 ?-999 ?-999 ? ZN ZN B 402 mVAL.B 34 -57.86 75.03 15.19 -58.06 75.92 14.79 -55.60 74.21 15.93 -55.29 75.25 16.50 -56.68 74.21 14.85 -56.08 74.61 13.42 3 0 27.58-999 ?-999 ?-999 ? ZN ZN B 402 mGLU.B 35 -54.99 73.04 16.17 -55.35 72.28 15.63 -52.60 73.47 16.52 -52.29 73.19 15.37 -53.89 72.89 17.13 -53.76 71.41 17.58 2 0 27.99-999 ?-999 ?-999 ? ZN ZN B 402 mVAL.B 36 -51.93 74.32 17.27 -52.38 74.49 18.15 -49.47 73.97 16.94 -49.20 73.40 18.00 -50.65 74.95 16.87 -50.29 76.17 17.77 3 0 25.07-999 ?-999 ?-999 ? ZN ZN B 402 mTHR.B 37 -48.78 73.78 15.83 -49.07 74.32 15.04 -46.30 73.51 16.00 -45.31 72.86 16.35 -47.65 72.83 15.84 -47.59 72.04 14.54 2 0 26.42-999 ?-999 ?-999 ? ZN ZN B 402 mGLY.B 38 -46.25 74.82 15.74 -47.10 75.22 15.40 -45.26 76.98 15.42 -46.16 77.18 14.59 -45.02 75.58 15.94-999.99-999.99-999.99 1 0 23.53-999 ?-999 ?-999 ? ZN ZN B 402 mVAL^B 39 -44.46 77.94 15.88 -43.74 77.61 16.49 -43.40 79.95 14.84 -42.32 79.92 15.43 -44.67 79.35 15.49 -45.13 80.22 16.70 3 0 19.73-999 ?-999 ?-999 ? ZN ZN B 402 mLEU^B 40 -43.58 80.50 13.63 -44.50 80.39 13.26 -42.87 82.68 12.89 -43.96 83.09 12.44 -42.56 81.20 12.90 -42.47 80.64 11.47 3 0 17.75-999 ?-999 ?-999 ? ZN ZN B 402 mTHR^B 41 -41.95 83.49 13.42 -41.18 83.02 13.84 -41.53 85.61 12.06 -40.53 85.10 11.49 -42.12 84.98 13.35 -41.60 85.72 14.61 2 0 14.09-999 ?-999 ?-999 ? ZN ZN B 402 mALA^B 42 -42.16 86.70 11.59 -42.86 87.08 12.20 -42.13 88.75 10.31 -42.97 89.19 11.11 -41.84 87.26 10.29 -42.65 86.57 9.20 2 0 11.84-999 ?-999 ?-999 ? ZN ZN B 401 mLEU.B 43 -41.43 89.54 9.48 -40.63 89.10 9.05 -42.96 90.95 8.21 -44.07 91.47 8.49 -41.84 90.93 9.23 -40.65 91.81 8.75 3 0 8.19-999 ?-999 ?-999 ? ZN ZN B 401 mASP.B 44 -42.67 90.41 7.03 -41.73 90.09 6.96 -43.72 88.80 5.66 -42.68 88.12 5.55 -43.61 90.29 5.93 -43.07 90.95 4.66 2 0 9.02-999 ?-999 ?-999 ? ZN ZN B 401 mCYH.B 45 -44.97 88.33 5.50 -45.69 89.01 5.58 -45.08 86.69 3.71 -46.07 86.77 3.00 -45.21 86.91 5.22 -46.60 86.49 5.68 2 0 12.49-999 ?-999 ?-999 ? ZN ZN B 401 mTHR~B 46 -43.85 86.54 3.20 -43.11 86.56 3.87 -43.79 84.86 1.41 -43.92 84.00 2.33 -43.66 86.34 1.76 -42.26 86.77 1.32 2 0 14.36-999 ?-999 ?-999 ? ZN ZN B 401 mLEU~B 47 -43.73 84.52 0.11 -43.59 85.28 -0.52 -42.75 82.27 0.36 -42.98 81.11 0.79 -43.86 83.10 -0.27 -43.82 82.94 -1.80 3 0 18.17-999 ?-999 ?-999 ? ZN ZN B 401 mGLU~B 48 -41.55 82.83 0.44 -41.48 83.77 0.09 -40.65 81.81 2.48 -40.20 80.81 2.98 -40.42 82.08 1.01 -39.07 82.79 0.80 2 0 18.83-999 ?-999 ?-999 ? ZN ZN B 401 mVAL~B 49 -41.34 82.72 3.18 -41.63 83.52 2.65 -42.62 81.33 4.79 -42.46 80.49 5.68 -41.62 82.52 4.60 -42.14 83.83 5.28 3 0 17.00-999 ?-999 ?-999 ? ZN ZN B 401 mVAL~B 50 -43.62 81.29 3.95 -43.64 82.06 3.31 -43.91 78.88 3.71 -44.10 77.93 4.47 -44.61 80.22 3.98 -45.73 80.47 2.94 3 0 19.22-999 ?-999 ?-999 ? ZN ZN B 401 mASN~B 51 -43.06 78.85 2.67 -43.07 79.68 2.13 -41.36 77.27 3.54 -41.22 76.07 3.82 -42.21 77.67 2.37 -41.35 77.93 1.13 2 0 22.18-999 ?-999 ?-999 ? ZN ZN B 401 mGLU~B 52 -40.78 78.25 4.23 -40.94 79.16 3.87 -40.83 77.29 6.55 -40.37 76.35 7.20 -39.98 77.96 5.43 -39.32 79.26 5.94 2 0 21.51-999 ?-999 ?-999 ? ZN ZN B 401 mALA~B 53 -42.03 77.81 6.80 -42.24 78.62 6.25 -43.30 75.77 7.44 -43.25 74.91 8.28 -42.94 77.21 7.81 -44.21 78.04 8.00 2 0 21.64-999 ?-999 ?-999 ? ZN ZN B 401 mILE~B 54 -43.65 75.54 6.18 -43.69 76.36 5.61 -42.76 73.25 5.95 -42.93 72.13 6.48 -43.94 74.19 5.71 -44.34 74.21 4.22 3 0 24.81-999 ?-999 ?-999 ? ZN ZN B 401 mGLU~B 55 -41.56 73.71 5.59 -41.57 74.65 5.25 -40.07 72.53 7.13 -39.63 71.41 7.40 -40.35 72.90 5.68 -39.15 73.64 5.05 2 0 26.35-999 ?-999 ?-999 ? ZN ZN B 401 mLYS~B 56 -40.35 73.46 8.04 -40.69 74.32 7.66 -41.24 72.50 10.21 -41.07 72.19 11.37 -40.15 73.23 9.47 -39.90 74.56 10.19 2 0 25.87-999 ?-999 ?-999 ? ZN ZN B 401 mGLY~B 57 -42.38 72.26 9.57 -42.37 72.54 8.61 -44.27 72.55 11.18 -44.97 72.10 12.10 -43.51 71.61 10.24-999.99-999.99-999.99 1 0 27.22-999 ?-999 ?-999 ? ZN ZN B 401 mTYR.B 58 -44.13 73.86 10.96 -43.49 74.10 10.23 -46.16 75.29 11.04 -46.08 75.61 9.86 -44.89 74.84 11.77 -44.05 76.09 12.05 3 0 24.01-999 ?-999 ?-999 ? ZN ZN B 402 mASN.B 59 -47.30 75.36 11.73 -47.22 75.16 12.71 -49.07 77.11 11.38 -50.20 77.43 11.04 -48.55 75.71 11.04 -49.65 74.63 11.24 2 0 23.51-999 ?-999 ?-999 ? ZN ZN B 402 mTHR^B 60 -48.26 77.91 12.05 -47.35 77.52 12.23 -47.53 80.22 12.20 -46.36 79.93 12.53 -48.67 79.24 12.49 -48.97 79.27 13.99 2 0 20.03-999 ?-999 ?-999 ? ZN ZN B 402 mILE^B 61 -47.88 81.33 11.55 -48.86 81.38 11.33 -47.50 83.64 11.87 -48.67 83.92 11.71 -46.93 82.39 11.21 -46.72 82.59 9.68 3 0 16.66-999 ?-999 ?-999 ? ZN ZN B 402 mILE^B 62 -46.69 84.31 12.69 -45.85 83.82 12.94 -46.16 86.71 12.47 -44.93 86.75 12.66 -47.04 85.64 13.17 -46.87 85.79 14.69 3 0 13.46-999 ?-999 ?-999 ? ZN ZN B 402 mSER^B 63 -46.78 87.57 11.67 -47.77 87.45 11.60 -46.35 89.95 11.63 -47.38 90.10 12.35 -46.04 88.60 10.98 -46.35 88.61 9.46 2 0 10.44-999 ?-999 ?-999 ? ZN ZN B 402 mHIS.B 64 -45.45 90.90 11.42 -44.59 90.59 11.01 -46.70 92.87 10.75 -47.82 93.28 11.10 -45.73 92.27 11.77 -44.44 93.10 11.86 3 0 -6.70-999 ?-999 ?-999 ? ZN ZN B 402s mHIS.B 65 -46.32 92.87 9.47 -45.45 92.40 9.30 -48.28 92.59 8.05 -48.07 91.39 7.87 -47.12 93.50 8.44 -46.30 93.87 7.22 3 0 -6.14-999 ?-999 ?-999 ? ZN ZN B 401s mPRO.B 66 -49.49 93.15 7.91 -49.52 94.14 8.07 -50.58 91.96 6.07 -50.48 92.83 5.21 -50.65 92.32 7.55 -51.87 93.23 7.90 3 0 9.34-999 ?-999 ?-999 ? ZN ZN B 401 mLEU.B 67 -50.59 90.67 5.78 -50.64 90.06 6.57 -51.80 90.69 3.68 -51.76 90.95 2.47 -50.54 90.21 4.41 -50.48 88.67 4.38 3 0 11.64-999 ?-999 ?-999 ? ZN ZN B 401 mILE.B 68 -52.92 90.71 4.38 -52.84 90.33 5.30 -54.35 92.58 4.52 -54.50 92.61 5.74 -54.16 91.26 3.81 -55.40 90.35 4.02 3 0 13.58-999 ?-999 ?-999 ? ZN ZN B 401 mPHE.B 69 -54.26 93.68 3.79 -54.09 93.53 2.81 -55.72 95.60 3.96 -56.69 95.66 4.71 -54.42 94.98 4.42 -53.21 95.90 4.17 3 0 11.91-999 ?-999 ?-999 ? ZN ZN B 401 mLYS.B 70 -55.79 96.05 2.72 -54.93 96.12 2.22 -57.73 95.11 1.67 -57.04 94.21 1.18 -57.09 96.40 2.21 -56.97 97.55 1.21 2 0 14.83-999 ?-999 ?-999 ? ZN ZN B 401 mGLY.B 71 -59.04 94.97 1.78 -59.53 95.76 2.16 -59.11 93.23 0.01 -58.92 94.01 -0.93 -59.65 93.73 1.35-999.99-999.99-999.99 1 0 18.04-999 ?-999 ?-999 ? ZN ZN B 401 mVAL.B 72 -58.87 91.92 -0.10 -58.98 91.38 0.73 -59.72 91.17 -2.22 -60.74 90.75 -1.68 -58.46 91.38 -1.39 -57.61 90.09 -1.25 3 0 19.18-999 ?-999 ?-999 ? ZN ZN B 401 mTHR.B 73 -59.68 91.53 -3.49 -58.82 91.95 -3.79 -60.75 90.01 -5.18 -61.72 89.62 -5.83 -60.84 91.31 -4.36 -61.08 92.48 -5.31 2 0 22.65-999 ?-999 ?-999 ? ZN ZN B 401 mSER.B 74 -59.58 89.36 -5.13 -58.85 89.84 -4.64 -58.36 87.20 -5.14 -57.46 87.71 -4.47 -59.44 88.05 -5.77 -59.13 88.20 -7.26 2 0 23.81-999 ?-999 ?-999 ? ZN ZN B 401 mLEU.B 75 -58.43 85.90 -5.38 -59.20 85.61 -5.94 -57.03 84.04 -5.97 -57.50 82.90 -6.08 -57.44 84.98 -4.84 -58.01 84.23 -3.63 3 0 23.62-999 ?-999 ?-999 ? ZN ZN B 401 mLYS.B 76 -56.21 84.60 -6.86 -56.00 85.56 -6.66 -54.26 83.39 -7.76 -53.65 83.80 -6.76 -55.68 83.88 -8.02 -55.70 84.78 -9.25 2 0 25.36-999 ?-999 ?-999 ? ZN ZN B 401 mALA.B 77 -53.74 82.52 -8.63 -54.35 82.29 -9.39 -51.35 82.91 -8.97 -50.59 82.59 -9.88 -52.41 81.95 -8.48 -52.31 80.63 -9.24 2 0 25.59-999 ?-999 ?-999 ? ZN ZN B 401 mASN~B 78 -51.28 84.08 -8.36 -51.84 84.15 -7.54 -50.31 86.15 -7.70 -51.23 86.30 -6.91 -50.44 85.15 -8.85 -51.19 85.79 -10.02 2 0 23.26-999 ?-999 ?-999 ? ZN ZN B 401 mGLY~B 79 -49.15 86.81 -7.60 -48.42 86.46 -8.19 -49.24 87.51 -5.27 -48.76 86.47 -4.83 -48.98 87.93 -6.69-999.99-999.99-999.99 1 0 19.61-999 ?-999 ?-999 ? ZN ZN B 401 mTYR~B 80 -49.99 88.33 -4.55 -50.31 89.13 -5.06 -51.30 86.87 -3.07 -51.29 86.11 -2.12 -50.31 88.04 -3.14 -50.88 89.30 -2.44 3 0 17.30-999 ?-999 ?-999 ? ZN ZN B 401 mGLY~B 81 -52.13 86.70 -4.10 -52.09 87.43 -4.78 -52.32 84.19 -4.02 -52.81 83.29 -3.34 -53.02 85.53 -4.18-999.99-999.99-999.99 1 0 20.66-999 ?-999 ?-999 ? ZN ZN B 401 mLEU~B 82 -51.14 84.07 -4.61 -50.84 84.89 -5.09 -49.92 82.51 -3.11 -49.95 81.36 -2.68 -50.37 82.83 -4.55 -49.17 82.96 -5.51 3 0 21.80-999 ?-999 ?-999 ? ZN ZN B 401 mILE~B 83 -49.55 83.54 -2.35 -49.57 84.43 -2.81 -50.36 82.94 -0.11 -50.29 82.00 0.73 -49.14 83.35 -0.97 -48.53 84.68 -0.37 3 0 19.00-999 ?-999 ?-999 ? ZN ZN B 401 mILE~B 84 -51.47 83.67 -0.30 -51.40 84.36 -1.02 -53.17 81.99 0.27 -53.50 81.24 1.20 -52.66 83.42 0.51 -53.77 84.46 0.19 3 0 19.50-999 ?-999 ?-999 ? ZN ZN B 401 mARG~B 85 -53.26 81.64 -1.00 -53.00 82.38 -1.63 -52.76 79.22 -0.88 -53.21 78.16 -0.51 -53.68 80.29 -1.42 -53.72 80.22 -2.96 2 0 23.26-999 ?-999 ?-999 ? ZN ZN B 401 mLYS~B 86 -51.46 79.49 -0.85 -51.20 80.39 -1.18 -50.70 78.26 1.14 -50.60 77.13 1.61 -50.53 78.48 -0.34 -49.09 78.82 -0.71 2 0 23.23-999 ?-999 ?-999 ? ZN ZN B 401 mLEU~B 87 -50.99 79.35 1.89 -50.97 80.21 1.39 -52.49 78.32 3.57 -52.49 77.41 4.39 -51.29 79.23 3.35 -51.58 80.63 3.97 3 0 21.58-999 ?-999 ?-999 ? ZN ZN B 401 mILE~B 88 -53.54 78.60 2.81 -53.39 79.33 2.14 -54.63 76.41 2.56 -55.05 75.50 3.28 -54.79 77.87 2.96 -55.93 78.57 2.22 3 0 24.25-999 ?-999 ?-999 ? ZN ZN B 401 mGLN~B 89 -53.98 76.20 1.43 -53.63 77.02 0.97 -52.99 73.98 1.88 -53.28 72.79 2.00 -53.81 74.85 0.94 -53.24 74.86 -0.48 2 0 27.05-999 ?-999 ?-999 ? ZN ZN B 401 mHIS~B 90 -52.03 74.58 2.59 -51.91 75.55 2.38 -51.69 74.00 4.99 -50.95 73.63 5.90 -51.23 73.85 3.57 -49.75 74.28 3.47 3 0 26.49-999 ?-999 ?-999 ? ZN ZN B 401 mASP.B 91 -52.90 74.54 5.19 -53.38 74.82 4.36 -52.50 75.45 7.49 -52.32 75.11 8.65 -53.45 74.68 6.56 -53.83 73.30 7.14 2 0 25.99-999 ?-999 ?-999 ? ZN ZN B 401 mILE.B 92 -51.90 76.52 6.94 -52.06 76.64 5.96 -51.93 78.62 8.18 -52.69 79.22 7.39 -51.09 77.42 7.74 -49.79 77.93 6.97 3 0 22.53-999 ?-999 ?-999 ? ZN ZN B 401 mASN^B 93 -51.81 78.95 9.46 -51.21 78.35 9.99 -51.56 81.28 10.10 -50.38 81.14 10.46 -52.49 80.07 10.04 -52.93 79.71 11.45 2 0 20.53-999 ?-999 ?-999 ? ZN ZN B 402 mLEU^B 94 -52.10 82.46 9.78 -53.08 82.43 9.57 -51.98 84.70 10.66 -53.14 85.07 10.45 -51.31 83.68 9.76 -51.18 84.22 8.32 3 0 16.80-999 ?-999 ?-999 ? ZN ZN B 401 mILE^B 95 -51.24 85.16 11.65 -50.34 84.73 11.72 -50.86 87.44 12.29 -49.66 87.31 12.12 -51.71 86.20 12.55 -51.52 85.72 14.03 3 0 14.55-999 ?-999 ?-999 ? ZN ZN B 402 mALA^B 96 -51.48 88.62 12.26 -52.48 88.57 12.34 -50.78 90.61 13.46 -51.87 90.89 14.02 -50.76 89.87 12.12 -51.42 90.77 11.02 2 0 10.94-999 ?-999 ?-999 ? ZN ZN B 402 mMET.B 97 -49.61 90.92 13.97 -48.84 90.51 13.48 -48.81 93.06 14.63 -47.58 93.17 14.64 -49.47 91.80 15.13 -48.61 91.12 16.24 2 0 9.04-999 ?-999 ?-999 ? ZN ZN B 402 mHIS~B 98 -49.65 94.00 14.17 -50.62 93.86 14.37 -48.98 96.35 14.34 -48.12 96.32 15.22 -49.12 95.13 13.43 -49.94 95.45 12.19 3 0 6.01-999 ?-999 ?-999 ? ZN ZN B 402 mTHR~B 99 -49.86 97.35 14.21 -50.63 97.18 13.59 -49.78 98.38 16.47 -49.19 99.12 17.23 -49.64 98.60 14.96 -50.46 99.82 14.46 2 0 5.75-999 ?-999 ?-999 ? ZN ZN B 402 mASN~B 100 -50.54 97.36 16.91 -51.14 96.94 16.23 -49.03 96.63 18.81 -48.66 96.96 19.94 -50.44 96.94 18.32 -51.48 95.86 18.73 2 0 8.61-999 ?-999 ?-999 ? ZN ZN B 402 mLEU~B 101 -48.21 96.04 17.95 -48.64 95.80 17.08 -45.95 97.05 18.16 -44.98 97.20 18.89 -46.81 95.79 18.31 -46.25 94.65 17.46 3 0 7.04-999 ?-999 ?-999 ? ZN ZN B 402 mASP~B 102 -46.32 97.96 17.25 -47.08 97.65 16.67 -45.78 100.17 18.38 -44.85 100.95 18.71 -45.66 99.28 17.12 -46.20 100.05 15.92 2 0 -4.89-999 ?-999 ?-999 ? ZN ZN B 402s mVAL~B 103 -46.89 100.01 19.09 -47.48 99.27 18.78 -47.00 100.22 21.59 -47.19 100.82 22.64 -47.19 100.88 20.23 -48.63 101.46 20.13 3 0 8.54-999 ?-999 ?-999 ? ZN ZN B 402 mASN.B 104 -46.58 98.97 21.56 -46.41 98.60 20.65 -45.10 98.62 23.54 -44.04 98.78 22.90 -46.40 98.23 22.79 -46.36 96.74 22.46 2 0 10.59-999 ?-999 ?-999 ? ZN ZN B 402 mPRO.B 105 -45.17 98.70 24.91 -46.08 98.58 25.31 -42.85 97.98 25.42 -41.72 98.33 25.65 -43.99 98.95 25.72 -44.48 98.75 27.16 3 0 13.34-999 ?-999 ?-999 ? ZN ZN B 402 mTYR.B 106 -43.14 96.77 24.93 -44.12 96.58 24.83 -41.95 95.58 23.08 -41.27 94.64 22.63 -42.06 95.82 24.58 -42.20 94.48 25.36 3 0 12.79-999 ?-999 ?-999 ? ZN ZN B 402 mGLY~B 107 -42.61 96.45 22.31 -42.95 97.25 22.80 -41.67 96.75 20.00 -40.58 96.93 20.50 -42.81 96.22 20.86-999.99-999.99-999.99 1 0 9.03-999 ?-999 ?-999 ? ZN ZN B 402 mVAL~B 108 -41.97 97.06 18.73 -42.96 97.06 18.55 -39.92 98.43 18.08 -38.71 98.29 17.86 -40.96 97.36 17.68 -41.69 97.75 16.31 3 0 6.53-999 ?-999 ?-999 ? ZN ZN B 402 mASN~B 109 -40.41 99.48 18.68 -41.40 99.43 18.84 -38.69 100.43 20.32 -37.51 100.82 20.30 -39.54 100.60 19.08 -40.37 101.87 19.09 2 0 8.51-999 ?-999 ?-999 ? ZN ZN B 402 mMET~B 110 -39.23 99.76 21.35 -40.23 99.68 21.31 -37.29 98.32 21.88 -36.11 98.46 22.24 -38.37 99.21 22.44 -39.22 98.46 23.48 2 0 11.78-999 ?-999 ?-999 ? ZN ZN B 402 mMET~B 111 -37.66 97.41 20.96 -38.64 97.41 20.76 -35.65 97.26 19.51 -34.47 96.96 19.62 -36.71 96.50 20.31 -37.44 95.50 19.39 2 0 11.35-999 ?-999 ?-999 ? ZN ZN B 402 mLEU~B 112 -36.07 98.22 18.69 -37.06 98.28 18.60 -34.07 99.78 18.95 -32.86 99.68 18.78 -35.08 99.08 18.01 -35.81 100.08 17.08 3 0 10.97-999 ?-999 ?-999 ? ZN ZN B 402 mALA~B 113 -34.58 100.46 19.97 -35.58 100.44 19.99 -32.76 100.23 21.66 -31.57 100.56 21.79 -33.76 101.16 20.95 -34.69 101.89 21.96 2 0 13.93-999 ?-999 ?-999 ? ZN ZN B 402 mLYS~B 114 -33.22 99.03 22.04 -34.20 98.91 21.87 -31.28 97.52 21.73 -30.14 97.44 22.16 -32.38 97.99 22.64 -33.22 96.79 23.14 2 0 15.90-999 ?-999 ?-999 ? ZN ZN B 402 mVAL~B 115 -31.60 97.25 20.45 -32.58 97.35 20.24 -29.55 97.95 19.20 -28.39 97.67 18.89 -30.58 96.84 19.47 -31.21 96.33 18.14 3 0 15.74-999 ?-999 ?-999 ? ZN ZN B 402 mMET~B 116 -29.97 99.20 19.32 -30.95 99.26 19.50 -28.21 100.64 20.46 -27.34 101.54 20.45 -29.07 100.36 19.21 -29.88 101.60 18.83 2 0 16.94-999 ?-999 ?-999 ? ZN ZN B 402 mGLY.B 117 -28.43 99.85 21.50 -29.15 99.17 21.35 -28.10 101.16 23.56 -27.29 101.68 24.31 -27.68 99.96 22.74-999.99-999.99-999.99 1 0 19.78-999 ?-999 ?-999 ? ZN ZN B 402 mLEU.B 118 -29.34 101.62 23.43 -29.95 101.06 22.87 -30.24 102.61 25.51 -30.61 101.47 25.82 -29.72 102.87 24.11 -30.73 103.70 23.32 3 0 19.29-999 ?-999 ?-999 ? ZN ZN B 402 mLYS^B 119 -30.31 103.67 26.30 -30.07 104.53 25.85 -31.89 104.55 27.92 -32.21 105.36 27.04 -30.71 103.60 27.70 -29.53 104.00 28.61 2 0 21.15-999 ?-999 ?-999 ? ZN ZN B 402 mASN^B 120 -32.52 104.43 29.09 -32.16 103.68 29.65 -34.76 105.34 28.50 -35.23 106.41 28.12 -33.61 105.29 29.53 -33.10 106.72 29.88 2 0 21.31-999 ?-999 ?-999 ? ZN ZN B 402 mILE^B 121 -35.16 104.15 28.04 -34.76 103.36 28.51 -37.50 104.19 27.48 -37.88 103.51 28.41 -36.09 104.03 26.94 -35.94 102.67 26.20 3 0 17.59-999 ?-999 ?-999 ? ZN ZN B 402 mSER^B 122 -38.25 105.13 26.91 -37.80 105.61 26.16 -40.55 105.56 26.14 -40.21 106.24 25.17 -39.61 105.40 27.34 -39.56 106.71 28.16 2 0 17.05-999 ?-999 ?-999 ? ZN ZN B 402 mILE^B 123 -41.76 104.96 26.22 -41.87 104.38 27.02 -43.14 106.64 25.10 -43.17 107.36 26.11 -42.80 105.15 25.23 -44.12 104.39 25.62 3 0 14.41-999 ?-999 ?-999 ? ZN ZN B 402 mILE.B 124 -43.40 107.09 23.87 -43.22 106.43 23.14 -45.21 108.39 22.83 -45.67 107.31 22.42 -43.90 108.44 23.64 -42.82 109.38 22.97 3 0 14.81-999 ?-999 ?-999 ? ZN ZN B 402 mASN.B 125 -45.80 109.56 22.59 -45.28 110.34 22.95 -48.18 108.81 22.50 -48.98 108.16 21.81 -47.08 109.68 21.88 -46.89 109.38 20.39 2 0 14.64-999 ?-999 ?-999 ? ZN ZN B 402 mASN^B 126 -48.22 108.78 23.83 -47.58 109.42 24.25 -50.60 107.98 24.16 -51.14 109.07 23.96 -49.14 107.90 24.57 -49.00 108.11 26.08 2 0 15.88-999 ?-999 ?-999 ? ZN ZN B 402 mGLN^B 127 -51.25 106.82 24.02 -50.67 106.01 24.06 -53.38 107.35 25.11 -52.72 107.54 26.14 -52.70 106.81 23.83 -53.19 105.38 23.48 2 0 16.17-999 ?-999 ?-999 ? ZN ZN B 402 mGLN^B 128 -54.68 107.62 25.02 -55.04 107.57 24.09 -56.57 106.93 26.33 -57.25 106.61 25.36 -55.48 107.98 26.19 -56.08 109.38 26.07 2 0 19.87-999 ?-999 ?-999 ? ZN ZN B 402 mASP^B 129 -56.69 106.36 27.52 -56.01 106.64 28.19 -58.82 106.01 28.63 -58.53 106.73 29.58 -57.74 105.39 27.78 -57.17 104.15 28.46 2 0 21.34-999 ?-999 ?-999 ? ZN ZN B 402 mVAL^B 130 -60.07 105.73 28.25 -60.11 105.12 27.46 -61.67 105.30 30.05 -61.80 104.09 29.86 -61.25 106.24 28.92 -62.43 106.45 27.93 3 0 24.68-999 ?-999 ?-999 ? ZN ZN B 402 mTYR^B 131 -61.83 105.88 31.23 -61.58 106.85 31.23 -63.57 105.92 32.90 -63.92 106.98 32.37 -62.32 105.18 32.41 -61.27 105.21 33.52 3 0 27.55-999 ?-999 ?-999 ? ZN ZN B 402 mTYR^B 132 -64.24 105.36 33.91 -63.95 104.43 34.13 -65.11 106.03 36.12 -64.77 104.98 36.68 -65.32 106.08 34.62 -66.72 105.57 34.26 3 0 31.31-999 ?-999 ?-999 ? ZN ZN B 402 mLYS^B 133 -65.31 107.17 36.76 -65.39 107.98 36.19 -66.85 107.10 38.53 -67.61 108.04 38.28 -65.38 107.19 38.20 -64.75 108.45 38.78 2 0 34.24-999 ?-999 ?-999 ? ZN ZN B 402 mVAL^B 134 -67.25 105.94 39.04 -66.53 105.26 39.15 -68.87 106.15 40.85 -68.11 105.82 41.75 -68.64 105.72 39.41 -69.16 104.28 38.99 3 0 36.88-999 ?-999 ?-999 ? ZN ZN B 402 mGLN^B 135 -69.89 106.98 41.03 -70.41 107.18 40.20 -71.67 107.15 42.67 -72.60 107.47 41.93 -70.23 107.53 42.33 -70.07 109.06 42.34 2 0 40.43-999 ?-999 ?-999 ? ZN ZN B 402 mTHR^B 136 -71.84 106.44 43.79 -70.99 106.14 44.21 -73.32 106.74 45.72 -72.33 106.99 46.42 -73.17 106.15 44.31 -73.49 104.62 44.30 2 0 43.53-999 ?-999 ?-999 ? ZN ZN B 402 mTYR^B 137 -74.58 107.00 46.11 -75.26 106.80 45.41 -75.79 106.55 48.19 -76.86 106.15 47.72 -74.92 107.54 47.42 -75.61 108.89 47.27 3 0 47.21-999 ?-999 ?-999 ? ZN ZN B 402 mILE^B 138 -75.31 106.15 49.37 -74.48 106.64 49.63 -75.88 105.50 51.68 -74.91 106.11 52.13 -75.93 105.11 50.19 -75.24 103.71 49.92 3 0 49.55-999 ?-999 ?-999 ? ZN ZN B 402 mPRO.B 139 -76.95 105.17 52.46 -77.73 104.77 51.98 -75.79 104.61 54.60 -75.31 103.62 54.04 -76.91 105.40 53.92 -78.28 104.89 54.38 3 0 53.09-999 ?-999 ?-999 ? ZN ZN B 402 mLYS.B 140 -75.37 105.05 55.79 -75.91 105.81 56.14 -74.50 103.02 56.95 -74.80 102.15 56.13 -74.22 104.46 56.49 -73.76 105.39 57.64 2 0 53.48-999 ?-999 ?-999 ? ZN ZN B 402 mASP.B 141 -74.38 102.77 58.26 -74.17 103.60 58.78 -74.22 100.22 58.00 -73.16 100.18 57.35 -74.55 101.45 58.89 -75.94 101.33 59.57 2 0 55.43-999 ?-999 ?-999 ? ZN ZN B 402 mASN~B 142 -75.14 99.25 57.99 -75.98 99.50 58.46 -75.15 97.87 55.85 -74.69 96.93 55.19 -74.92 97.92 57.38 -75.77 96.85 58.09 2 0 54.32-999 ?-999 ?-999 ? ZN ZN B 402 mVAL~B 143 -75.84 98.88 55.31 -76.15 99.56 55.97 -74.85 99.30 53.04 -74.84 99.11 51.82 -76.10 98.95 53.86 -77.33 99.83 53.49 3 0 52.14-999 ?-999 ?-999 ? ZN ZN B 402 mGLY~B 144 -73.81 99.80 53.71 -74.01 99.96 54.68 -71.72 98.83 52.70 -71.40 98.64 51.52 -72.50 100.08 53.09-999.99-999.99-999.99 1 0 49.42-999 ?-999 ?-999 ? ZN ZN B 402 mPRO~B 145 -71.38 97.97 53.68 -71.57 98.28 54.61 -71.69 95.81 52.47 -71.21 95.15 51.55 -70.78 96.66 53.35 -70.60 95.99 54.73 3 0 48.72-999 ?-999 ?-999 ? ZN ZN B 402 mPHE~B 146 -73.00 95.82 52.75 -73.22 96.33 53.59 -73.83 95.55 50.43 -73.86 94.69 49.54 -74.01 95.17 51.90 -75.42 95.47 52.45 3 0 49.45-999 ?-999 ?-999 ? ZN ZN B 402 mLYS~B 147 -73.62 96.85 50.18 -73.76 97.45 50.97 -71.81 96.83 48.48 -71.66 96.08 47.50 -73.22 97.33 48.85 -73.38 98.86 48.75 2 0 46.45-999 ?-999 ?-999 ? ZN ZN B 402 mASP~B 148 -70.80 97.21 49.26 -71.08 97.77 50.04 -69.25 95.39 48.55 -68.83 95.12 47.42 -69.39 96.84 48.99 -68.50 97.10 50.23 2 0 44.31-999 ?-999 ?-999 ? ZN ZN B 402 mLYS~B 149 -69.62 94.47 49.45 -70.01 94.89 50.27 -70.14 92.44 48.00 -69.51 91.64 47.30 -69.50 93.01 49.28 -70.06 92.28 50.51 2 0 44.94-999 ?-999 ?-999 ? ZN ZN B 402 mLEU~B 150 -71.37 92.84 47.72 -71.75 93.48 48.39 -71.52 92.95 45.23 -71.34 92.21 44.25 -72.10 92.39 46.53 -73.59 92.72 46.65 3 0 44.37-999 ?-999 ?-999 ? ZN ZN B 402 mSER~B 151 -71.21 94.25 45.23 -71.50 94.73 46.06 -69.19 94.20 43.83 -68.93 93.84 42.67 -70.52 94.90 44.12 -70.31 96.40 44.37 2 0 41.22-999 ?-999 ?-999 ? ZN ZN B 402 mGLU~B 152 -68.37 93.98 44.86 -68.73 94.32 45.73 -67.18 91.82 44.33 -66.32 91.28 43.63 -67.07 93.30 44.72 -66.21 93.47 45.98 2 0 39.81-999 ?-999 ?-999 ? ZN ZN B 402 mASN~B 153 -68.25 91.17 44.81 -68.80 91.71 45.44 -68.81 89.67 42.92 -68.27 88.75 42.28 -68.58 89.79 44.43 -69.81 89.30 45.21 2 0 41.09-999 ?-999 ?-999 ? ZN ZN B 402 mGLY~B 154 -69.58 90.59 42.35 -69.91 91.30 42.98 -68.90 91.22 40.02 -69.27 91.73 38.96 -69.92 90.56 40.93-999.99-999.99-999.99 1 0 39.11-999 ?-999 ?-999 ? ZN ZN B 402 mLEU.B 155 -67.63 91.20 40.42 -67.51 90.66 41.25 -66.31 93.31 40.26 -66.56 93.55 41.44 -66.50 91.89 39.73 -66.66 91.86 38.19 3 0 35.78-999 ?-999 ?-999 ? ZN ZN B 402 mALA.B 156 -65.86 94.24 39.41 -65.69 93.88 38.49 -64.67 95.81 40.98 -65.11 95.93 42.13 -65.63 95.66 39.80 -66.97 96.37 40.09 2 0 34.76-999 ?-999 ?-999 ? ZN ZN B 402 mGLN.B 157 -63.37 95.82 40.67 -63.22 95.94 39.69 -62.46 96.38 43.01 -62.78 97.57 43.05 -62.27 95.66 41.66 -60.92 96.01 41.03 2 0 34.40-999 ?-999 ?-999 ? ZN ZN B 402 mGLU.B 158 -62.22 95.64 44.09 -61.74 94.79 43.84 -61.96 97.25 46.12 -62.04 97.45 47.35 -62.59 95.98 45.48 -62.34 94.78 46.40 2 0 37.82-999 ?-999 ?-999 ? ZN ZN B 402 mGLY.B 159 -61.35 98.10 45.29 -61.24 97.75 44.35 -62.06 100.37 45.72 -62.58 100.72 44.65 -60.88 99.41 45.73-999.99-999.99-999.99 1 0 37.15-999 ?-999 ?-999 ? ZN ZN B 402 mASN.B 160 -62.50 100.76 46.92 -62.03 100.32 47.68 -63.02 103.00 47.78 -61.90 102.99 48.32 -63.57 101.75 47.10 -64.74 101.16 47.93 2 0 39.71-999 ?-999 ?-999 ? ZN ZN B 402 mTYR^B 161 -63.81 104.08 47.74 -64.61 103.98 47.16 -64.78 105.95 49.06 -65.72 106.24 48.33 -63.51 105.30 48.50 -62.69 106.28 47.66 3 0 41.32-999 ?-999 ?-999 ? ZN ZN B 402 mGLU^B 162 -64.77 106.21 50.37 -63.87 106.11 50.79 -65.87 107.95 51.79 -64.84 108.24 52.41 -65.99 106.60 51.09 -66.35 105.51 52.11 2 0 44.95-999 ?-999 ?-999 ? ZN ZN B 402 mTYR^B 163 -66.92 108.77 51.68 -67.65 108.41 51.10 -68.39 110.31 52.93 -69.39 109.97 52.28 -66.99 110.08 52.35 -66.62 111.21 51.37 3 0 47.21-999 ?-999 ?-999 ? ZN ZN B 402 mCYH^B 164 -68.45 110.86 54.14 -67.55 111.00 54.56 -70.27 112.46 54.08 -69.50 113.22 53.47 -69.72 111.23 54.77 -69.54 111.59 56.25 2 0 50.85-999 ?-999 ?-999 ? ZN ZN B 402 mPHE^B 165 -71.59 112.65 54.18 -72.07 111.85 54.55 -73.80 113.76 53.84 -74.33 112.66 53.96 -72.27 113.89 53.80 -71.82 114.35 52.43 3 0 52.08-999 ?-999 ?-999 ? ZN ZN B 402 mPHE^B 166 -74.50 114.90 53.74 -73.94 115.69 53.51 -76.71 115.14 52.63 -76.43 116.09 51.89 -75.96 114.96 53.95 -76.35 116.13 54.87 3 0 54.56-999 ?-999 ?-999 ? ZN ZN B 402 mGLU^B 167 -77.68 114.26 52.37 -77.69 113.46 52.96 -79.85 115.28 51.78 -80.15 115.29 52.98 -78.63 114.50 51.28 -79.10 113.19 50.64 2 0 54.07-999 ?-999 ?-999 ? ZN ZN B 402 mSER.B 168 -80.55 115.94 50.85 -80.12 115.89 49.94 -82.65 116.75 49.84 -83.89 116.62 49.87 -81.81 116.65 51.11 -81.56 118.05 51.72 2 0 56.65-999 ?-999 ?-999 ? ZN ZN B 402 mGLU.B 191 -80.47 119.50 56.30 -81.10 120.25 56.48 -80.17 117.03 56.36 -79.58 116.21 57.08 -79.54 118.40 56.03 -78.21 118.61 56.79 2 0 59.29-999 ?-999 ?-999 ? ZN ZN B 402 mASP.B 192 -81.36 116.81 55.80 -81.60 117.51 55.13 -81.61 114.27 56.19 -81.37 113.78 57.29 -82.25 115.67 56.10 -83.45 115.67 55.13 2 0 60.16-999 ?-999 ?-999 ? ZN ZN B 402 mVAL^B 193 -81.36 113.62 55.04 -81.52 114.18 54.23 -79.35 112.06 54.90 -78.80 112.18 53.80 -80.88 112.22 55.02 -81.59 111.42 53.92 3 0 57.62-999 ?-999 ?-999 ? ZN ZN B 402 mASP^B 194 -78.68 111.80 56.02 -79.26 111.71 56.83 -76.79 110.42 55.24 -77.32 109.32 55.45 -77.22 111.65 56.04 -76.69 111.60 57.48 2 0 56.04-999 ?-999 ?-999 ? ZN ZN B 402 mGLU^B 195 -75.85 110.62 54.31 -75.48 111.55 54.30 -73.89 109.35 53.31 -73.10 110.19 53.72 -75.40 109.55 53.41 -75.97 109.77 52.01 2 0 52.46-999 ?-999 ?-999 ? ZN ZN B 402 mVAL^B 196 -73.52 108.19 52.74 -74.28 107.56 52.59 -72.02 107.85 50.86 -72.71 107.08 50.18 -72.14 107.90 52.39 -71.62 106.59 53.08 3 0 49.46-999 ?-999 ?-999 ? ZN ZN B 402 mLYS^B 197 -71.15 108.71 50.33 -70.76 109.35 51.00 -69.63 107.76 48.66 -68.49 108.00 49.11 -70.80 108.71 48.92 -70.45 110.14 48.47 2 0 46.09-999 ?-999 ?-999 ? ZN ZN B 402 mILE^B 198 -69.92 106.68 47.95 -70.88 106.63 47.67 -68.43 105.90 46.17 -69.23 106.20 45.29 -68.91 105.69 47.61 -69.46 104.25 47.75 3 0 43.40-999 ?-999 ?-999 ? ZN ZN B 402 mGLU^B 199 -67.14 105.73 45.95 -66.60 105.54 46.77 -65.53 104.76 44.26 -64.80 104.27 45.12 -66.57 105.84 44.60 -66.05 107.25 44.32 2 0 39.68-999 ?-999 ?-999 ? ZN ZN B 402 mPHE^B 200 -65.50 104.41 42.98 -66.17 104.89 42.42 -64.38 103.63 40.94 -65.12 104.40 40.31 -64.57 103.43 42.44 -65.01 101.99 42.78 3 0 36.43-999 ?-999 ?-999 ? ZN ZN B 402 mMET^B 201 -63.39 102.94 40.38 -62.90 102.36 41.03 -63.66 101.84 38.20 -63.77 100.74 38.73 -63.06 103.01 38.96 -61.54 103.02 38.76 2 0 32.68-999 ?-999 ?-999 ? ZN ZN B 402 mILE^B 202 -64.07 102.10 36.96 -64.14 103.08 36.77 -63.72 101.44 34.64 -63.51 102.62 34.34 -64.37 101.07 35.98 -65.91 100.86 35.75 3 0 30.93-999 ?-999 ?-999 ? ZN ZN B 402 mASP^B 203 -63.40 100.42 33.84 -63.46 99.52 34.28 -64.24 101.00 31.66 -65.35 100.71 32.08 -63.00 100.63 32.46 -62.37 99.36 31.88 2 0 27.35-999 ?-999 ?-999 ? ZN ZN B 402 mALA.B 204 -64.04 101.63 30.50 -63.07 101.75 30.26 -66.18 101.02 29.23 -67.33 101.35 28.90 -65.16 102.10 29.66 -64.63 102.86 28.43 2 0 27.12-999 ?-999 ?-999 ? ZN ZN B 402 mTYR.B 205 -65.77 99.74 29.22 -64.84 99.60 29.54 -67.65 98.24 29.88 -68.74 97.74 29.59 -66.67 98.67 28.78 -65.89 97.46 28.21 3 0 27.58-999 ?-999 ?-999 ? ZN ZN B 402 mGLN~B 206 -67.27 98.48 31.14 -66.40 98.97 31.21 -69.28 98.94 32.64 -70.09 98.57 33.49 -68.07 98.06 32.31 -67.19 97.94 33.56 2 0 30.87-999 ?-999 ?-999 ? ZN ZN B 402 mLYS~B 207 -69.39 100.10 31.99 -68.68 100.24 31.30 -71.86 100.40 32.36 -72.58 100.59 33.34 -70.47 101.07 32.25 -70.46 102.20 31.21 2 0 32.78-999 ?-999 ?-999 ? ZN ZN B 402 mSER~B 208 -72.19 99.59 31.35 -71.50 99.59 30.63 -73.65 97.88 32.48 -74.73 97.90 33.08 -73.42 98.79 31.27 -73.35 97.91 30.04 2 0 34.54-999 ?-999 ?-999 ? ZN ZN B 402 mARG~B 209 -72.64 97.07 32.80 -71.85 97.15 32.20 -72.85 96.90 35.24 -73.68 96.55 36.08 -72.70 96.14 33.93 -71.44 95.25 33.97 2 0 35.59-999 ?-999 ?-999 ? ZN ZN B 402 mALA~B 210 -72.06 97.96 35.40 -71.43 98.12 34.65 -73.52 99.38 36.82 -74.00 99.40 37.96 -72.12 98.80 36.60 -71.08 99.90 36.52 2 0 36.73-999 ?-999 ?-999 ? ZN ZN B 402 mGLU~B 211 -74.18 99.83 35.75 -73.64 99.83 34.91 -76.50 99.19 36.40 -77.25 99.43 37.35 -75.58 100.28 35.83 -76.09 100.74 34.46 2 0 38.96-999 ?-999 ?-999 ? ZN ZN B 402 mGLN~B 212 -76.43 98.01 35.79 -75.80 98.00 35.01 -76.97 96.55 37.73 -77.90 96.66 38.54 -77.19 96.84 36.24 -76.81 95.60 35.40 2 0 40.51-999 ?-999 ?-999 ? ZN ZN B 402 mLEU~B 213 -75.73 96.22 38.08 -75.07 96.27 37.33 -75.71 96.87 40.52 -76.01 96.51 41.66 -75.36 95.83 39.44 -73.88 95.43 39.49 3 0 41.15-999 ?-999 ?-999 ? ZN ZN B 402 mILE~B 214 -75.68 98.15 40.17 -75.39 98.32 39.23 -77.55 99.23 41.32 -78.05 99.32 42.44 -76.04 99.20 41.14 -75.46 100.59 40.76 3 0 42.68-999 ?-999 ?-999 ? ZN ZN B 402 mLYS~B 215 -78.28 99.12 40.22 -77.75 99.09 39.37 -80.25 97.85 41.09 -81.18 97.99 41.90 -79.75 99.05 40.27 -80.36 99.09 38.86 2 0 44.94-999 ?-999 ?-999 ? ZN ZN B 402 mGLN~B 216 -79.61 96.70 40.90 -78.83 96.77 40.28 -79.80 95.42 43.06 -80.66 94.90 43.79 -80.01 95.44 41.55 -79.28 94.26 40.91 2 0 46.07-999 ?-999 ?-999 ? ZN ZN B 402 mTYR~B 217 -78.68 95.97 43.54 -78.11 96.42 42.86 -78.42 97.21 45.75 -77.93 97.29 46.88 -78.35 95.89 44.98 -76.99 95.18 45.20 3 0 47.08-999 ?-999 ?-999 ? ZN ZN B 402 mHIS~B 218 -79.02 98.24 45.15 -79.29 98.04 44.20 -80.73 99.59 46.36 -81.39 98.53 46.37 -79.26 99.55 45.81 -78.94 100.69 44.83 3 0 48.23-999 ?-999 ?-999 ? ZN ZN B 402 mPRO.B 219 -81.23 100.75 46.89 -80.58 101.51 47.02 -83.61 101.72 46.39 -84.33 101.20 45.54 -82.65 100.83 47.24 -82.61 101.36 48.69 3 0 51.71-999 ?-999 ?-999 ? ZN ZN B 402 mTYR.B 220 -83.59 103.03 46.62 -82.68 103.36 46.88 -85.61 103.97 45.19 -85.27 103.31 44.19 -84.80 103.90 46.51 -84.47 105.34 46.98 3 0 53.05-999 ?-999 ?-999 ? ZN ZN B 402 mGLU.B 221 -86.68 104.77 45.23 -86.89 105.11 46.15 -86.53 105.65 42.93 -86.65 105.28 41.76 -87.46 105.11 44.03 -88.54 106.15 44.36 2 0 53.72-999 ?-999 ?-999 ? ZN ZN B 402 mTHR.B 222 -85.61 106.54 43.33 -85.70 106.80 44.29 -83.18 106.88 43.06 -82.66 107.81 43.69 -84.59 107.06 42.43 -84.89 108.55 42.00 2 0 50.77-999 ?-999 ?-999 ? ZN ZN B 402 mPRO.B 223 -82.58 105.67 42.90 -83.15 104.98 42.44 -80.17 106.26 42.63 -79.99 106.07 41.42 -81.21 105.40 43.38 -81.01 103.91 43.06 3 0 48.49-999 ?-999 ?-999 ? ZN ZN B 402 mVAL.B 224 -79.52 107.18 43.33 -79.69 107.15 44.31 -77.21 107.59 42.43 -76.49 107.23 43.38 -78.61 108.15 42.68 -78.53 109.49 43.48 3 0 46.57-999 ?-999 ?-999 ? ZN ZN B 402 mPHE^B 225 -76.83 107.51 41.15 -77.56 107.75 40.51 -74.99 107.84 39.52 -75.78 108.16 38.63 -75.48 107.08 40.75 -75.38 105.56 40.56 3 0 42.81-999 ?-999 ?-999 ? ZN ZN B 402 mASP^B 226 -73.69 108.14 39.49 -73.18 107.78 40.27 -71.82 108.24 37.85 -71.04 107.64 38.60 -73.07 108.91 38.41 -72.70 110.32 38.88 2 0 39.94-999 ?-999 ?-999 ? ZN ZN B 402 mPHE^B 227 -71.65 108.35 36.54 -72.43 108.76 36.07 -69.75 109.18 35.35 -70.29 109.93 34.53 -70.44 107.93 35.85 -70.76 107.03 34.65 3 0 36.14-999 ?-999 ?-999 ? ZN ZN B 402 mILE^B 228 -68.55 109.41 35.88 -68.27 108.74 36.56 -66.59 110.02 34.65 -65.76 109.25 35.12 -67.74 110.53 35.50 -67.20 111.25 36.75 3 0 34.81-999 ?-999 ?-999 ? ZN ZN B 402 mGLU^B 229 -66.56 110.47 33.40 -67.35 111.03 33.15 -64.13 110.66 32.97 -63.97 111.83 33.34 -65.49 110.15 32.46 -65.80 110.72 31.08 2 0 31.17-999 ?-999 ?-999 ? ZN ZN B 402 mILE^B 230 -63.17 109.74 33.02 -63.50 108.82 32.78 -60.94 109.51 32.23 -61.14 108.40 31.74 -61.79 110.01 33.40 -61.42 109.27 34.74 3 0 29.43-999 ?-999 ?-999 ? ZN ZN B 402 mLYS^B 231 -60.03 110.34 31.75 -60.06 111.27 32.12 -57.72 109.75 31.45 -57.33 110.61 32.27 -59.06 109.88 30.77 -58.99 110.80 29.56 2 0 25.92-999 ?-999 ?-999 ? ZN ZN B 402 mGLN^B 232 -57.04 108.66 31.15 -57.51 108.04 30.52 -54.77 108.17 30.56 -55.15 107.56 29.56 -55.73 108.39 31.70 -55.75 107.12 32.53 2 0 24.30-999 ?-999 ?-999 ? ZN ZN B 402 mTHR^B 233 -53.54 108.65 30.73 -53.46 109.23 31.55 -52.12 106.91 29.81 -51.89 106.28 30.85 -52.42 108.39 29.83 -51.13 109.16 30.22 2 0 21.40-999 ?-999 ?-999 ? ZN ZN B 402 mSER^B 234 -52.11 106.36 28.61 -52.22 107.01 27.86 -50.50 104.52 28.55 -49.63 105.34 28.47 -51.96 104.93 28.41 -52.45 104.62 26.99 2 0 18.70-999 ?-999 ?-999 ? ZN ZN B 402 mLEU^B 235 -50.24 103.24 28.75 -51.04 102.68 28.97 -48.41 102.51 27.17 -47.22 102.32 26.93 -48.88 102.72 28.63 -48.70 101.44 29.47 3 0 17.27-999 ?-999 ?-999 ? ZN ZN B 402 mTYR^B 236 -49.37 102.53 26.24 -50.27 102.72 26.63 -48.96 103.63 24.11 -49.65 104.60 24.36 -49.19 102.31 24.81 -50.43 101.55 24.23 3 0 13.72-999 ?-999 ?-999 ? ZN ZN B 402 mGLY^B 237 -47.97 103.68 23.22 -47.36 102.89 23.19 -46.87 104.55 21.24 -46.01 103.65 21.37 -47.85 104.85 22.36-999.99-999.99-999.99 1 0 12.12-999 ?-999 ?-999 ? ZN ZN B 402 mLEU.B 238 -47.03 105.28 20.13 -47.79 105.93 20.20 -44.84 105.85 19.07 -44.73 107.10 18.98 -46.20 105.15 18.94 -46.93 105.67 17.68 3 0 9.26-999 ?-999 ?-999 ? ZN ZN B 402 mGLY.B 239 -43.81 105.03 19.28 -44.05 104.06 19.36 -41.92 105.37 20.78 -42.65 105.08 21.74 -42.47 105.54 19.38-999.99-999.99-999.99 1 0 9.90-999 ?-999 ?-999 ? ZN ZN B 402 mVAL^B 240 -40.60 105.55 20.87 -40.15 105.59 19.98 -38.94 106.85 22.08 -38.46 107.23 21.00 -39.89 105.67 22.15 -39.06 104.38 22.55 3 0 12.77-999 ?-999 ?-999 ? ZN ZN B 402 mMET^B 241 -38.65 107.42 23.26 -39.25 107.14 24.01 -36.49 107.61 24.22 -36.83 106.92 25.17 -37.55 108.36 23.42 -37.99 109.64 24.18 2 0 16.15-999 ?-999 ?-999 ? ZN ZN B 402 mALA^B 242 -35.23 107.70 23.84 -35.07 108.21 23.00 -32.94 107.97 24.55 -33.00 109.04 23.95 -34.17 107.07 24.62 -33.83 105.72 24.06 2 0 18.00-999 ?-999 ?-999 ? ZN ZN B 402 mGLU^B 243 -31.84 107.52 25.13 -31.93 106.66 25.62 -29.40 107.39 24.80 -29.38 106.18 25.16 -30.59 108.26 25.01 -30.40 109.26 26.18 2 0 21.02-999 ?-999 ?-999 ? ZN ZN B 402 mVAL^B 244 -28.39 107.97 24.17 -28.57 108.90 23.85 -26.44 107.29 25.34 -26.75 108.16 26.15 -27.13 107.26 23.99 -26.23 107.85 22.88 3 0 22.52-999 ?-999 ?-999 ? ZN ZN B 402 mASP^B 245 -25.59 106.28 25.57 -25.61 105.59 24.85 -23.96 107.49 26.92 -24.09 108.19 27.93 -24.73 106.19 26.76 -23.71 105.07 26.59 2 0 25.52-999 ?-999 ?-999 ? ZN ZN B 402 mASN^B 246 -23.18 107.78 25.87 -23.25 107.09 25.14 -22.74 109.78 24.57 -22.83 109.24 23.47 -22.32 108.94 25.77 -20.88 108.47 25.55 2 0 27.80-999 ?-999 ?-999 ? ZN ZN B 402 mGLN^B 247 -23.00 111.06 24.79 -23.08 111.26 25.77 -22.17 111.84 22.57 -20.98 111.48 22.76 -23.15 112.06 23.74 -23.00 113.46 24.34 2 0 27.56-999 ?-999 ?-999 ? ZN ZN B 402 mMET^B 248 -22.71 112.01 21.36 -23.58 112.50 21.40 -22.48 112.54 19.04 -23.47 113.24 19.15 -22.12 111.56 20.12 -22.78 110.27 19.67 2 0 26.88-999 ?-999 ?-999 ? ZN ZN B 402 mTHR^B 249 -21.70 112.55 17.96 -20.89 111.98 18.02 -23.17 112.60 16.02 -23.25 111.37 16.08 -22.07 113.36 16.80 -20.86 113.70 15.88 2 0 27.09-999 ?-999 ?-999 ? ZN ZN B 402 mLEU~B 250 -24.05 113.35 15.35 -23.99 114.33 15.55 -24.39 111.71 13.45 -24.91 110.59 13.35 -25.00 112.77 14.42 -25.70 113.88 13.60 3 0 24.05-999 ?-999 ?-999 ? ZN ZN B 402 mGLU~B 251 -23.33 112.03 12.72 -22.98 112.96 12.84 -22.24 109.79 12.50 -22.32 108.69 11.94 -22.77 111.04 11.80 -21.70 111.64 10.90 2 0 24.73-999 ?-999 ?-999 ? ZN ZN B 401 mASP~B 252 -21.70 109.95 13.71 -21.71 110.89 14.05 -22.30 107.92 14.97 -22.17 106.70 14.95 -21.17 108.81 14.45 -20.29 109.25 15.64 2 0 25.45-999 ?-999 ?-999 ? ZN ZN B 402 mPHE~B 253 -23.36 108.55 15.46 -23.25 109.54 15.54 -25.20 107.10 14.66 -25.50 105.91 14.78 -24.58 107.85 15.85 -25.62 108.76 16.52 3 0 22.13-999 ?-999 ?-999 ? ZN ZN B 402 mALA~B 254 -25.36 107.78 13.52 -25.19 108.76 13.58 -24.89 105.86 11.91 -25.44 104.81 11.55 -25.75 107.09 12.28 -25.85 108.07 11.12 2 0 20.38-999 ?-999 ?-999 ? ZN ZN B 401 mALA~B 255 -23.55 105.98 11.98 -23.23 106.87 12.29 -22.78 103.73 12.62 -22.74 102.55 12.27 -22.66 104.85 11.62 -21.20 105.32 11.55 2 0 22.41-999 ?-999 ?-999 ? ZN ZN B 401 mASP~B 256 -22.93 104.09 13.89 -22.91 105.08 14.03 -24.33 102.21 14.76 -24.26 100.99 14.92 -23.10 103.10 14.95 -23.25 103.81 16.30 2 0 21.97-999 ?-999 ?-999 ? ZN ZN B 402 mILE~B 257 -25.47 102.83 14.47 -25.40 103.82 14.33 -26.77 101.30 13.02 -27.39 100.26 12.94 -26.70 102.07 14.36 -27.97 102.90 14.72 3 0 18.20-999 ?-999 ?-999 ? ZN ZN B 402 mLYS~B 258 -26.09 101.81 11.99 -25.70 102.71 12.16 -25.27 99.75 10.98 -25.68 98.69 10.46 -25.96 101.08 10.72 -25.13 101.92 9.72 2 0 18.33-999 ?-999 ?-999 ? ZN ZN B 401 mSER~B 259 -24.19 99.80 11.77 -23.93 100.72 12.07 -24.29 97.64 13.05 -24.41 96.43 12.79 -23.46 98.59 12.15 -22.12 99.01 12.82 2 0 20.86-999 ?-999 ?-999 ? ZN ZN B 401 mLYS~B 260 -24.90 98.18 14.09 -24.79 99.18 14.14 -26.86 96.67 14.43 -27.14 95.53 14.78 -25.65 97.38 15.05 -26.12 98.24 16.23 2 0 19.09-999 ?-999 ?-999 ? ZN ZN B 402 mLEU~B 261 -27.55 97.35 13.51 -27.22 98.28 13.36 -28.35 96.09 11.47 -29.28 95.63 10.78 -28.68 96.74 12.82 -29.82 97.75 12.63 3 0 15.96-999 ?-999 ?-999 ? ZN ZN B 402 mASN.B 262 -27.07 96.08 11.10 -26.48 96.54 11.76 -27.23 96.03 8.62 -27.70 95.28 7.74 -26.57 95.46 9.87 -26.72 93.92 9.92 2 0 17.84-999 ?-999 ?-999 ? ZN ZN B 401 mILE.B 263 -27.24 97.36 8.52 -26.73 97.85 9.24 -26.99 98.31 6.32 -25.91 98.89 6.58 -27.94 98.02 7.45 -28.59 99.36 7.94 3 0 16.20-999 ?-999 ?-999 ? ZN ZN B 401 mPRO.B 264 -27.36 97.93 5.06 -28.24 97.48 4.99 -26.14 99.67 3.68 -25.03 100.00 3.29 -26.47 98.19 3.91 -27.26 97.61 2.71 3 0 18.28-999 ?-999 ?-999 ? ZN ZN B 401 mSER.B 265 -27.10 100.56 3.94 -27.93 100.16 4.35 -27.85 102.73 4.62 -28.99 102.35 4.78 -26.94 101.98 3.65 -27.41 102.29 2.21 2 0 18.18-999 ?-999 ?-999 ? ZN ZN B 401 mVAL^B 266 -27.30 103.78 5.26 -26.31 103.87 5.11 -27.85 106.11 5.51 -26.83 106.39 4.88 -28.04 104.71 6.09 -27.57 104.55 7.58 3 0 17.30-999 ?-999 ?-999 ? ZN ZN B 401 mARG^B 267 -28.85 106.99 5.68 -29.68 106.58 6.07 -29.26 109.30 6.45 -30.21 108.91 7.17 -28.71 108.41 5.31 -29.40 108.73 3.95 2 0 18.46-999 ?-999 ?-999 ? ZN ZN B 401 mPHE^B 268 -28.64 110.47 6.65 -27.89 110.71 6.03 -29.25 112.72 7.25 -28.78 113.08 6.20 -29.07 111.30 7.74 -28.13 111.22 8.96 3 0 19.37-999 ?-999 ?-999 ? ZN ZN A 402 mVAL^B 269 -30.04 113.48 7.98 -30.43 113.03 8.78 -29.88 115.66 8.83 -30.39 115.45 9.93 -30.30 114.86 7.63 -31.80 115.14 7.31 3 0 18.00-999 ?-999 ?-999 ? ZN ZN A 402 mGLY.B 270 -28.94 116.57 8.60 -28.63 116.61 7.66 -26.93 117.61 9.56 -26.29 116.91 8.77 -28.43 117.43 9.69-999.99-999.99-999.99 1 0 20.67-999 ?-999 ?-999 ? ZN ZN A 402 mGLU.B 271 -26.38 118.57 10.33 -27.05 119.08 10.87 -24.28 117.53 10.92 -24.70 117.01 11.95 -24.93 118.81 10.35 -24.54 120.06 11.23 2 0 23.31-999 ?-999 ?-999 ? ZN ZN A 402 mSER.B 272 -23.30 116.99 10.20 -23.05 117.53 9.40 -22.01 115.75 11.96 -21.94 114.72 12.65 -22.66 115.72 10.55 -21.69 115.28 9.44 2 0 24.81-999 ?-999 ?-999 ? ZN ZN A 402 mASN.B 273 -21.62 116.94 12.41 -21.78 117.70 11.78 -21.98 117.52 14.85 -21.58 117.87 15.95 -21.01 117.09 13.73 -19.74 117.99 13.68 2 0 28.30-999 ?-999 ?-999 ? ZN ZN A 402 mGLN.B 274 -23.28 117.47 14.54 -23.48 117.16 13.61 -24.22 116.88 16.70 -24.10 115.66 16.52 -24.31 117.84 15.51 -25.70 117.75 14.81 2 0 27.80-999 ?-999 ?-999 ? ZN ZN A 402 mLYS^B 275 -24.25 117.44 17.92 -24.29 118.44 17.93 -25.62 116.09 19.44 -26.59 116.85 19.45 -24.21 116.63 19.13 -23.58 117.38 20.31 2 0 27.81-999 ?-999 ?-999 ? ZN ZN B 402 mILE^B 276 -25.67 114.80 19.74 -24.76 114.41 19.87 -26.83 113.36 21.24 -25.87 112.67 21.56 -26.88 113.99 19.86 -26.84 112.79 18.77 3 0 24.41-999 ?-999 ?-999 ? ZN ZN B 402 mLYS^B 277 -27.86 113.55 22.04 -28.48 114.28 21.75 -29.40 112.01 23.28 -29.45 110.82 23.59 -28.04 112.73 23.24 -27.85 113.60 24.51 2 0 24.12-999 ?-999 ?-999 ? ZN ZN B 402 mARG^B 278 -30.49 112.74 23.03 -30.32 113.70 22.81 -32.32 111.81 21.70 -32.26 112.64 20.79 -31.82 112.15 23.10 -32.80 113.05 23.85 2 0 21.28-999 ?-999 ?-999 ? ZN ZN B 402 mILE^B 279 -32.81 110.57 21.56 -32.88 110.10 22.44 -34.70 109.53 20.33 -35.14 108.82 21.24 -33.22 109.96 20.29 -32.31 108.73 20.03 3 0 17.70-999 ?-999 ?-999 ? ZN ZN B 402 mALA^B 280 -35.48 109.97 19.35 -35.04 110.66 18.77 -36.82 108.45 18.02 -36.14 108.69 17.03 -36.85 109.46 19.16 -37.78 110.59 18.83 2 0 14.74-999 ?-999 ?-999 ? ZN ZN B 402 mILE^B 281 -37.53 107.34 18.16 -38.08 107.33 19.00 -38.92 105.81 16.86 -39.68 105.50 17.77 -37.51 106.25 17.17 -36.74 104.99 17.71 3 0 11.26-999 ?-999 ?-999 ? ZN ZN B 402 mILE.B 282 -39.31 105.89 15.59 -38.71 106.44 15.00 -40.11 104.33 13.93 -39.88 104.81 12.82 -40.51 105.22 15.12 -41.66 106.21 14.73 3 0 8.01-999 ?-999 ?-999 ? ZN ZN B 402 mGLY.B 283 -40.04 103.03 14.16 -40.31 102.74 15.08 -40.67 102.09 12.05 -41.84 102.26 12.36 -39.59 102.15 13.09-999.99-999.99-999.99 1 0 5.97-999 ?-999 ?-999 ? ZN ZN B 402 mGLY.B 284 -40.28 101.87 10.79 -39.30 101.78 10.64 -41.28 103.03 8.89 -40.28 103.35 8.24 -41.31 101.77 9.74-999.99-999.99-999.99 1 0 4.14-999 ?-999 ?-999 ? ZN ZN B 401 mSER.B 285 -42.39 103.74 8.91 -43.11 103.33 9.48 -43.14 105.98 9.15 -44.37 106.05 9.24 -42.52 104.99 8.17 -43.40 104.79 6.95 2 0 6.42-999 ?-999 ?-999 ? ZN ZN B 401 mGLY.B 286 -42.31 106.71 9.89 -41.34 106.58 9.67 -42.75 109.09 10.64 -43.00 109.92 11.51 -42.82 107.61 10.95-999.99-999.99-999.99 1 0 9.05-999 ?-999 ?-999 ? ZN ZN B 402 mILE.B 287 -42.39 109.44 9.40 -42.11 108.68 8.81 -43.84 111.41 9.21 -44.82 110.73 8.92 -42.41 110.86 9.00 -41.86 111.09 7.58 3 0 12.17-999 ?-999 ?-999 ? ZN ZN B 401 mGLY.B 288 -43.93 112.62 9.78 -43.06 113.10 9.87 -45.03 113.43 11.75 -45.69 114.30 12.29 -45.18 113.19 10.25-999.99-999.99-999.99 1 0 14.50-999 ?-999 ?-999 ? ZN ZN B 401 mTYR~B 289 -44.16 112.67 12.42 -43.69 111.99 11.85 -42.66 113.57 14.28 -42.42 113.73 15.48 -43.93 112.84 13.87 -43.92 111.47 14.57 3 0 14.09-999 ?-999 ?-999 ? ZN ZN B 402 mGLU~B 290 -41.83 113.96 13.31 -42.21 113.89 12.39 -40.48 115.80 14.35 -39.64 116.05 15.23 -40.47 114.46 13.63 -39.57 114.51 12.37 2 0 16.18-999 ?-999 ?-999 ? ZN ZN B 402 mTYR~B 291 -41.41 116.67 13.97 -41.99 116.35 13.23 -41.98 117.85 16.07 -41.44 118.52 16.96 -41.53 117.99 14.61 -42.41 118.90 13.78 3 0 19.51-999 ?-999 ?-999 ? ZN ZN B 402 mGLN~B 292 -42.94 116.96 16.31 -43.31 116.53 15.49 -42.34 116.02 18.50 -42.15 116.38 19.67 -43.43 116.65 17.65 -44.64 115.74 17.53 2 0 18.61-999 ?-999 ?-999 ? ZN ZN B 402 mALA~B 293 -41.58 115.11 17.90 -41.86 114.89 16.97 -39.44 115.56 19.03 -38.94 115.50 20.15 -40.44 114.49 18.56 -39.75 113.50 17.61 2 0 17.31-999 ?-999 ?-999 ? ZN ZN B 402 mVAL~B 294 -39.15 116.53 18.18 -39.58 116.42 17.28 -38.91 118.44 19.76 -38.24 118.72 20.75 -38.27 117.65 18.59 -37.86 118.51 17.36 3 0 20.77-999 ?-999 ?-999 ? ZN ZN B 402 mGLN~B 295 -40.21 118.74 19.67 -40.60 118.49 18.79 -40.79 118.54 22.10 -40.58 119.10 23.17 -40.96 119.37 20.80 -42.46 119.50 20.48 2 0 22.47-999 ?-999 ?-999 ? ZN ZN B 402 mGLN~B 296 -40.86 117.20 21.97 -40.98 116.91 21.03 -39.34 116.14 23.61 -39.09 115.43 24.58 -40.78 116.26 23.09 -41.32 114.88 22.67 2 0 20.79-999 ?-999 ?-999 ? ZN ZN B 402 mGLY.B 297 -38.37 116.80 22.96 -38.68 117.28 22.14 -35.94 115.99 22.64 -34.81 115.83 23.08 -36.97 116.79 23.45-999.99-999.99-999.99 1 0 22.39-999 ?-999 ?-999 ? ZN ZN B 402 mALA.B 298 -36.31 115.46 21.47 -37.25 115.66 21.19 -34.34 115.54 20.04 -34.69 116.60 19.57 -35.36 114.65 20.69 -36.10 113.85 19.62 2 0 20.07-999 ?-999 ?-999 ? ZN ZN B 402 mASP.B 299 -33.10 115.09 19.99 -32.96 114.31 20.60 -32.04 115.11 17.70 -31.47 115.74 16.80 -32.04 115.65 19.13 -30.65 115.42 19.76 2 0 21.99-999 ?-999 ?-999 ? ZN ZN B 402 mVAL^B 300 -32.68 113.95 17.51 -33.09 113.57 18.34 -33.99 112.38 16.21 -34.36 111.82 17.26 -32.78 113.31 16.18 -31.45 112.52 15.78 3 0 19.01-999 ?-999 ?-999 ? ZN ZN B 402 mPHE^B 301 -34.64 112.29 15.06 -34.29 112.90 14.35 -35.33 110.31 13.90 -34.91 110.56 12.77 -35.77 111.42 14.84 -36.93 112.20 14.24 3 0 15.51-999 ?-999 ?-999 ? ZN ZN B 402 mVAL^B 302 -35.44 109.08 14.38 -35.86 109.02 15.28 -36.20 107.16 13.09 -37.13 106.86 13.86 -34.96 107.92 13.63 -34.13 106.98 14.55 3 0 13.23-999 ?-999 ?-999 ? ZN ZN B 402 mTHR^B 303 -36.22 106.90 11.77 -35.41 107.21 11.28 -36.94 105.63 9.79 -35.75 105.56 9.51 -37.37 106.23 11.12 -38.62 107.18 10.98 2 0 10.25-999 ?-999 ?-999 ? ZN ZN B 401 mGLY.B 304 -37.89 105.15 8.98 -38.80 105.12 9.37 -38.38 105.40 6.58 -39.22 106.21 6.95 -37.52 104.72 7.61-999.99-999.99-999.99 1 0 8.91-999 ?-999 ?-999 ? ZN ZN B 401 mASP.B 305 -38.17 105.06 5.30 -37.42 104.40 5.20 -38.97 107.10 4.11 -39.99 107.68 3.77 -38.94 105.56 4.14 -40.41 105.08 4.17 2 0 9.72-999 ?-999 ?-999 ? ZN ZN B 401 mILE.B 306 -37.85 107.75 4.44 -37.08 107.17 4.73 -37.67 109.67 2.90 -36.82 109.16 2.18 -37.82 109.22 4.36 -36.73 109.86 5.25 3 0 12.96-999 ?-999 ?-999 ? ZN ZN B 401 mLYS~B 307 -38.53 110.60 2.49 -39.17 110.89 3.19 -37.90 112.52 1.02 -37.82 113.26 2.01 -38.53 111.12 1.13 -39.96 111.15 0.59 2 0 10.56-999 ?-999 ?-999 ? ZN ZN A 402 mHIS~B 308 -37.42 112.84 -0.17 -37.60 112.15 -0.87 -37.34 115.35 0.20 -36.69 116.07 0.92 -36.71 114.10 -0.43 -36.59 114.30 -1.96 3 0 8.26-999 ?-999 ?-999 ? ZN ZN A 402 mHIS~B 309 -38.60 115.63 -0.11 -39.09 114.91 -0.61 -39.34 116.99 1.78 -39.17 118.05 2.39 -39.16 116.93 0.29 -40.47 117.19 -0.44 3 0 8.23-999 ?-999 ?-999 ? ZN ZN A 402 mASP~B 310 -39.66 115.85 2.41 -39.84 115.06 1.83 -38.35 116.03 4.57 -38.26 116.65 5.64 -39.71 115.87 3.88 -40.42 114.63 4.44 2 0 11.85-999 ?-999 ?-999 ? ZN ZN A 402 mALA~B 311 -37.33 115.43 3.99 -37.60 114.83 3.23 -35.51 117.11 4.21 -34.84 117.72 5.06 -35.94 115.65 4.45 -34.97 114.68 3.72 2 0 12.83-999 ?-999 ?-999 ? ZN ZN A 402 mLEU~B 312 -35.86 117.66 3.04 -36.33 117.04 2.42 -36.14 120.02 3.77 -35.46 120.87 4.28 -35.54 119.07 2.73 -36.04 119.44 1.32 3 0 11.56-999 ?-999 ?-999 ? ZN ZN A 402 mASP~B 313 -37.43 119.86 4.05 -37.87 119.19 3.45 -37.49 120.41 6.49 -37.22 121.43 7.18 -38.16 120.58 5.13 -39.61 120.08 5.22 2 0 13.72-999 ?-999 ?-999 ? ZN ZN A 402 mALA~B 314 -37.17 119.16 6.87 -37.43 118.43 6.23 -35.17 119.68 8.21 -34.91 120.35 9.22 -36.50 118.91 8.14 -36.25 117.42 8.39 2 0 16.47-999 ?-999 ?-999 ? ZN ZN A 402 mLYS~B 315 -34.37 119.60 7.14 -34.73 119.03 6.40 -33.20 121.80 7.35 -32.49 122.37 8.23 -33.07 120.28 7.09 -32.33 120.03 5.76 2 0 16.66-999 ?-999 ?-999 ? ZN ZN A 402 mILE~B 316 -34.07 122.45 6.58 -34.56 121.88 5.92 -34.75 124.28 8.13 -34.47 125.39 8.63 -34.26 123.89 6.74 -35.12 124.50 5.59 3 0 17.15-999 ?-999 ?-999 ? ZN ZN A 402 mHIS~B 317 -35.47 123.36 8.80 -35.62 122.50 8.34 -35.04 123.23 11.24 -35.37 123.40 12.40 -35.96 123.67 10.13 -37.37 123.10 10.34 3 0 19.71-999 ?-999 ?-999 ? ZN ZN A 402 mGLY.B 318 -33.88 122.65 10.90 -33.70 122.61 9.91 -33.45 120.89 12.59 -32.95 120.56 13.66 -32.98 122.14 11.89-999.99-999.99-999.99 1 0 21.53-999 ?-999 ?-999 ? ZN ZN A 402 mVAL.B 319 -34.42 120.18 12.03 -34.82 120.60 11.21 -33.93 117.75 12.04 -33.84 117.53 10.82 -34.86 118.87 12.59 -36.36 118.57 12.30 3 0 21.12-999 ?-999 ?-999 ? ZN ZN A 402 mASN.B 320 -33.21 117.07 12.93 -33.37 117.30 13.89 -32.95 114.71 12.30 -33.76 114.30 13.12 -32.28 116.07 12.50 -31.14 115.93 13.50 2 0 21.13-999 ?-999 ?-999 ? ZN ZN B 402 mLEU^B 321 -32.63 114.05 11.20 -31.93 114.50 10.64 -32.22 111.74 10.55 -31.16 112.10 10.04 -33.26 112.77 10.87 -34.15 112.90 9.63 3 0 17.77-999 ?-999 ?-999 ? ZN ZN B 401 mILE^B 322 -32.53 110.47 10.83 -33.31 110.38 11.46 -32.86 108.36 9.71 -33.77 107.94 10.40 -31.82 109.32 10.28 -30.90 108.55 11.32 3 0 16.20-999 ?-999 ?-999 ? ZN ZN B 401 mASP^B 323 -32.66 108.01 8.45 -31.95 108.55 8.00 -32.60 105.65 7.97 -31.58 105.45 7.34 -33.40 106.95 7.79 -33.57 107.34 6.30 2 0 13.46-999 ?-999 ?-999 ? ZN ZN B 401 mILE.B 324 -33.09 104.77 8.84 -33.86 105.11 9.36 -33.20 102.39 8.07 -32.90 101.18 8.14 -32.51 103.42 8.99 -32.60 102.90 10.45 3 0 12.44-999 ?-999 ?-999 ? ZN ZN B 401 mASN~B 325 -34.08 102.90 7.20 -34.12 103.90 7.22 -36.10 101.41 7.03 -35.98 101.00 8.18 -34.92 102.07 6.30 -34.08 101.07 5.49 2 0 10.05-999 ?-999 ?-999 ? ZN ZN B 401 mHIS~B 326 -37.23 101.36 6.36 -37.18 101.80 5.46 -38.09 99.28 7.27 -38.54 98.76 8.31 -38.44 100.72 6.92 -39.53 100.77 5.84 3 0 -6.25-999 ?-999 ?-999 ? ZN ZN B 401s mTYR~B 327 -37.26 98.65 6.41 -36.91 99.20 5.65 -36.25 96.96 7.99 -36.30 95.82 8.47 -36.91 97.26 6.61 -36.06 96.72 5.45 3 0 7.66-999 ?-999 ?-999 ? ZN ZN B 401 mSER~B 328 -35.72 97.98 8.67 -35.72 98.86 8.20 -36.19 97.31 11.05 -35.77 96.85 12.11 -35.17 97.75 10.01 -34.39 98.96 10.53 2 0 9.02-999 ?-999 ?-999 ? ZN ZN B 401 mGLU~B 329 -37.50 97.39 10.76 -37.72 97.94 9.95 -38.27 95.17 11.73 -38.90 94.53 12.57 -38.50 96.70 11.61 -39.90 96.96 11.10 2 0 6.41-999 ?-999 ?-999 ? ZN ZN B 402s mTYR~B 330 -37.36 94.62 10.92 -36.90 95.28 10.34 -36.60 92.70 12.29 -36.64 91.51 12.58 -37.08 93.15 10.92 -36.06 92.76 9.83 3 0 9.21-999 ?-999 ?-999 ? ZN ZN B 401 mVAL~B 331 -36.13 93.64 13.13 -36.10 94.57 12.77 -36.83 92.63 15.28 -36.56 91.96 16.29 -35.72 93.30 14.48 -35.16 94.56 15.31 3 0 10.59-999 ?-999 ?-999 ? ZN ZN B 402 mMET~B 332 -38.10 92.83 14.89 -38.22 93.41 14.08 -39.29 90.68 15.49 -40.01 90.05 16.25 -39.19 92.21 15.66 -40.57 92.90 15.50 2 0 9.10-999 ?-999 ?-999 ? ZN ZN B 402 mLYS~B 333 -38.58 90.08 14.54 -37.97 90.67 14.00 -38.08 87.93 15.56 -38.71 87.11 16.22 -38.73 88.63 14.36 -38.11 88.15 13.02 2 0 11.88-999 ?-999 ?-999 ? ZN ZN B 402 mGLU~B 334 -36.82 88.28 15.84 -36.41 88.90 15.17 -36.73 88.39 18.30 -36.92 87.69 19.30 -36.13 87.79 17.03 -34.60 88.08 16.99 2 0 14.62-999 ?-999 ?-999 ? ZN ZN B 402 mGLY~B 335 -37.07 89.67 18.26 -36.86 90.12 17.40 -38.99 89.60 19.84 -39.23 89.35 21.04 -37.70 90.31 19.42-999.99-999.99-999.99 1 0 12.98-999 ?-999 ?-999 ? ZN ZN B 402 mLEU~B 336 -39.87 89.34 18.88 -39.58 89.62 17.97 -40.98 87.21 19.57 -41.69 86.67 20.44 -41.16 88.69 19.22 -42.15 88.81 18.07 3 0 12.68-999 ?-999 ?-999 ? ZN ZN B 402 mLYS~B 337 -40.06 86.54 18.89 -39.65 87.04 18.12 -39.32 85.11 20.75 -39.81 84.22 21.46 -39.69 85.19 19.25 -38.55 84.66 18.39 2 0 16.02-999 ?-999 ?-999 ? ZN ZN B 402 mTHR~B 338 -38.43 86.01 21.19 -38.08 86.61 20.47 -39.21 86.38 23.54 -39.43 85.66 24.53 -38.01 86.11 22.61 -36.93 87.20 22.82 2 0 17.57-999 ?-999 ?-999 ? ZN ZN B 402 mLEU~B 339 -40.02 87.38 23.20 -39.71 87.93 22.42 -42.13 86.34 24.05 -42.51 85.91 25.16 -41.26 87.61 23.95 -42.08 88.73 23.33 3 0 16.44-999 ?-999 ?-999 ? ZN ZN B 402 mLEU~B 340 -42.44 85.74 22.91 -41.99 86.11 22.10 -42.85 83.39 23.68 -43.63 82.69 24.36 -43.37 84.62 22.90 -43.74 84.25 21.45 3 0 17.71-999 ?-999 ?-999 ? ZN ZN B 402 mMET~B 341 -41.56 83.11 23.56 -41.09 83.68 22.87 -41.03 82.33 25.87 -41.29 81.40 26.62 -40.91 82.07 24.36 -39.45 81.90 23.97 2 0 20.91-999 ?-999 ?-999 ? ZN ZN B 402 mASN~B 342 -40.87 83.59 26.28 -40.56 84.21 25.57 -42.57 83.77 28.09 -42.84 83.19 29.16 -41.12 83.99 27.67 -40.74 85.47 27.90 2 0 21.57-999 ?-999 ?-999 ? ZN ZN B 402 mTRP~B 343 -43.51 84.23 27.26 -43.15 84.67 26.44 -45.36 82.60 27.65 -46.21 82.21 28.48 -44.95 84.07 27.59 -45.84 84.80 26.58 3 0 21.19-999 ?-999 ?-999 ? ZN ZN B 402 mPHE~B 344 -44.78 81.79 26.75 -44.16 82.27 26.13 -44.42 79.67 27.94 -45.01 78.74 28.47 -45.02 80.35 26.70 -44.40 79.70 25.47 3 0 23.38-999 ?-999 ?-999 ? ZN ZN B 402 mASN~B 345 -43.23 80.12 28.37 -42.82 80.82 27.79 -43.55 79.80 30.78 -44.01 78.83 31.38 -42.59 79.61 29.60 -41.25 80.30 29.90 2 0 25.87-999 ?-999 ?-999 ? ZN ZN B 402 mILE~B 346 -43.89 81.04 31.07 -43.42 81.74 30.53 -46.01 80.32 32.07 -46.27 79.66 33.07 -44.88 81.34 32.10 -45.42 82.76 31.99 3 0 26.36-999 ?-999 ?-999 ? ZN ZN B 402 mGLU~B 347 -46.65 80.16 30.92 -46.22 80.61 30.14 -47.60 77.87 30.75 -48.53 77.08 30.63 -47.88 79.38 30.86 -48.72 79.88 29.68 2 0 27.04-999 ?-999 ?-999 ? ZN ZN B 402 mLYS.B 348 -46.32 77.51 30.81 -45.72 78.29 30.98 -46.30 75.51 29.33 -46.94 74.46 29.34 -45.82 76.15 30.63 -46.12 75.25 31.86 2 0 29.14-999 ?-999 ?-999 ? ZN ZN B 402 mILE.B 349 -45.99 76.17 28.21 -45.51 77.03 28.38 -45.00 75.39 26.19 -44.05 76.19 26.26 -46.32 75.70 26.86 -47.08 76.79 26.05 3 0 27.35-999 ?-999 ?-999 ? ZN ZN B 402 mASN.B 350 -44.94 74.22 25.55 -45.82 73.75 25.50 -43.56 73.87 23.48 -42.58 73.37 22.89 -43.71 73.68 24.99 -43.56 72.18 25.31 2 0 28.14-999 ?-999 ?-999 ? ZN ZN B 402 mILE.B 351 -44.48 74.62 22.89 -45.16 75.02 23.51 -43.28 75.65 21.03 -42.95 76.64 21.67 -44.50 74.84 21.45 -45.86 75.47 21.01 3 0 25.65-999 ?-999 ?-999 ? ZN ZN B 402 mASP.B 352 -42.60 75.19 19.98 -43.00 74.35 19.60 -41.79 77.16 18.75 -42.80 77.24 18.06 -41.42 75.83 19.41 -40.82 74.97 18.30 2 0 24.25-999 ?-999 ?-999 ? ZN ZN B 402 mVAL^B 353 -40.91 78.15 18.92 -40.17 77.91 19.55 -39.63 79.72 17.62 -38.59 79.50 18.26 -41.01 79.46 18.27 -41.36 80.57 19.27 3 0 20.55-999 ?-999 ?-999 ? ZN ZN B 402 mGLU^B 354 -39.62 80.12 16.36 -40.53 80.19 15.95 -38.63 81.75 14.91 -39.72 81.98 14.42 -38.39 80.44 15.65 -38.07 79.35 14.61 2 0 19.65-999 ?-999 ?-999 ? ZN ZN B 402 mALA^B 355 -37.61 82.60 14.86 -36.83 82.34 15.43 -37.25 83.37 12.60 -36.27 82.63 12.40 -37.64 83.78 14.03 -36.69 84.81 14.61 2 0 16.62-999 ?-999 ?-999 ? ZN ZN B 402 mSER.B 356 -38.06 83.74 11.62 -38.90 84.18 11.92 -36.33 84.17 9.91 -36.08 85.31 10.30 -37.69 83.51 10.20 -38.76 84.07 9.23 2 0 16.61-999 ?-999 ?-999 ? ZN ZN B 401 mTHR.B 357 -35.45 83.39 9.26 -35.83 82.49 9.05 -34.06 84.41 7.50 -33.02 84.88 7.07 -34.09 83.81 8.88 -33.13 82.55 8.78 2 0 18.00-999 ?-999 ?-999 ? ZN ZN B 401 mILE.B 358 -35.16 84.37 6.77 -35.95 83.93 7.19 -35.07 86.48 5.45 -35.86 87.16 6.09 -35.17 84.94 5.44 -36.35 84.41 4.61 3 0 16.82-999 ?-999 ?-999 ? ZN ZN B 401 mASN.B 359 -34.07 87.01 4.76 -33.35 86.37 4.50 -35.13 88.75 3.39 -34.99 88.38 2.23 -34.07 88.43 4.45 -32.68 88.91 3.99 2 0 15.06-999 ?-999 ?-999 ? ZN ZN B 401 mTHR.B 360 -36.21 89.43 3.79 -36.15 89.79 4.73 -37.38 91.09 2.37 -38.40 91.54 1.87 -37.37 89.63 2.92 -38.72 89.36 3.68 2 0 12.82-999 ?-999 ?-999 ? ZN ZN B 401 mASP.B 361 -36.27 91.81 2.51 -35.51 91.32 2.94 -36.35 93.12 0.57 -35.59 92.41 -0.05 -36.20 93.20 2.06 -34.85 93.86 2.41 2 0 11.81-999 ?-999 ?-999 ? ZN ZN B 401 mPRO.B 362 -37.33 93.83 -0.02 -37.97 94.27 0.60 -36.26 94.66 -2.14 -35.96 94.42 -3.29 -37.43 93.92 -1.47 -38.77 94.69 -1.66 3 0 13.22-999 ?-999 ?-999 ? ZN ZN B 401 mPHE^B 363 -35.59 95.54 -1.39 -35.93 95.63 -0.46 -33.17 95.47 -1.74 -32.93 94.79 -0.74 -34.47 96.29 -1.87 -34.32 97.61 -1.10 3 0 14.62-999 ?-999 ?-999 ? ZN ZN B 401 mGLN^B 364 -32.36 95.56 -2.78 -32.82 95.89 -3.60 -30.10 96.47 -3.01 -30.36 97.19 -3.96 -30.93 95.19 -2.74 -30.62 94.09 -3.78 2 0 17.90-999 ?-999 ?-999 ? ZN ZN B 401 mTYR^B 365 -29.13 96.73 -2.15 -28.99 96.01 -1.47 -27.03 97.73 -2.87 -26.39 96.67 -2.71 -28.34 97.93 -2.16 -28.05 98.43 -0.74 3 0 19.23-999 ?-999 ?-999 ? ZN ZN B 401 mILE.B 366 -26.65 98.72 -3.66 -27.33 99.45 -3.75 -24.63 100.10 -4.27 -23.44 100.16 -4.64 -25.35 98.73 -4.33 -25.45 98.14 -5.79 3 0 22.81-999 ?-999 ?-999 ? ZN ZN A 402