HEADER UNKNOWN FUNCTION 02-FEB-10 3LNL 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_TYPE: P-PROEX; SOURCE 10 EXPRESSION_SYSTEM_VECTOR: P-PROEX AUTHOR K.S.SINGH,M.CHRUSZCZ,X.ZHANG,W.MINOR,H.ZHANG HET ZN A 401 1 HET ZN A 402 1 HET B3P A 371 19 HET ZN B 401 1 HET ZN B 402 1 HET B3P B 371 19 SITE 1 AC1 7 HIS A 68 ASP A 106 GLU A 333 B3P A 371 SITE 1 AC2 8 HIS A 69 HIS A 330 GLU A 333 B3P A 371 SITE 1 AC3 14 TRP A 26 ASP A 106 LEU A 242 GLY A 287 SITE 1 AC4 8 HOH A 656 HIS B 69 HIS B 330 GLU B 333 SITE 1 AC5 7 HIS B 68 ASP B 106 GLU B 333 B3P B 371 SITE 1 AC6 13 TRP B 26 ASP B 106 LEU B 242 GLY B 287 mASP.A 3 -34.85 145.14 -26.30 -35.49 145.54 -26.96 -33.03 145.66 -24.77 -33.06 146.78 -25.35 -33.90 144.54 -25.31 -33.06 143.45 -25.97 2 0 31.75-999 ?-999 ?-999 ? ZN ZN A 401 mPRO.A 4 -32.27 145.41 -23.68 -31.85 146.28 -23.40 -33.18 143.32 -22.47 -34.28 143.82 -22.26 -31.97 144.18 -22.91 -31.23 144.71 -21.66 3 0 30.87-999 ?-999 ?-999 ? ZN ZN A 401 mMET.A 5 -32.94 142.02 -22.36 -31.99 141.77 -22.53 -34.52 141.32 -20.61 -33.75 141.40 -19.64 -33.99 141.06 -22.02 -33.47 139.64 -22.17 2 0 27.28-999 ?-999 ?-999 ? ZN ZN A 401 mLYS~A 6 -35.84 141.45 -20.50 -36.32 141.47 -21.38 -37.02 140.18 -18.81 -37.17 139.28 -19.65 -36.49 141.54 -19.20 -37.64 142.55 -19.26 2 0 26.36-999 ?-999 ?-999 ? ZN ZN A 401 mILE~A 7 -37.36 140.06 -17.53 -37.13 140.87 -16.98 -39.22 138.47 -17.83 -39.40 137.28 -18.14 -38.00 138.85 -17.00 -38.36 139.02 -15.51 3 0 23.04-999 ?-999 ?-999 ? ZN ZN A 401 mALA~A 8 -40.01 139.46 -18.24 -39.73 140.37 -17.93 -40.78 138.52 -20.40 -41.42 137.55 -20.80 -41.20 139.21 -19.09 -42.06 140.56 -19.39 2 0 23.99-999 ?-999 ?-999 ? ZN ZN A 401 mASP~A 9 -39.70 138.97 -21.02 -39.26 139.75 -20.57 -38.69 136.96 -22.02 -38.93 136.09 -22.83 -39.22 138.35 -22.26 -38.14 139.21 -22.93 2 0 24.36-999 ?-999 ?-999 ? ZN ZN A 401 mLEU~A 10 -37.99 136.74 -20.92 -37.84 137.56 -20.36 -38.67 134.46 -20.41 -38.67 133.34 -20.93 -37.49 135.41 -20.58 -36.62 135.46 -19.30 3 0 21.07-999 ?-999 ?-999 ? ZN ZN A 401 mMET~A 11 -39.71 134.91 -19.69 -39.61 135.83 -19.32 -41.52 133.64 -20.78 -41.85 132.47 -20.95 -40.87 134.07 -19.47 -41.89 134.77 -18.58 2 0 19.33-999 ?-999 ?-999 ? ZN ZN A 401 mTHR~A 12 -41.63 134.57 -21.73 -41.31 135.48 -21.45 -41.38 133.14 -23.79 -41.94 132.21 -24.41 -42.18 134.26 -23.06 -42.26 135.54 -23.91 2 0 21.36-999 ?-999 ?-999 ? ZN ZN A 401 mLEU~A 13 -40.06 133.26 -23.70 -39.76 134.04 -23.15 -39.25 130.95 -23.76 -39.35 129.95 -24.49 -39.16 132.33 -24.36 -37.73 132.87 -24.26 3 0 20.41-999 ?-999 ?-999 ? ZN ZN A 401 mLEU~A 14 -39.21 130.89 -22.41 -39.12 131.77 -21.95 -40.64 128.99 -21.97 -40.73 127.77 -22.15 -39.30 129.64 -21.69 -39.15 129.85 -20.17 3 0 16.64-999 ?-999 ?-999 ? ZN ZN A 401 mASP~A 15 -41.68 129.80 -22.00 -41.48 130.75 -21.79 -43.08 128.70 -23.75 -43.73 127.68 -24.01 -43.01 129.28 -22.33 -44.06 130.37 -22.15 2 0 17.12-999 ?-999 ?-999 ? ZN ZN A 401 mHIS~A 16 -42.36 129.32 -24.66 -41.87 130.13 -24.33 -41.70 127.43 -26.06 -42.23 126.53 -26.73 -42.33 128.83 -26.02 -41.55 129.80 -26.92 3 0 19.28-999 ?-999 ?-999 ? ZN ZN A 401 mHIS~A 17 -40.61 127.23 -25.34 -40.35 128.00 -24.75 -40.37 124.89 -24.45 -40.28 123.69 -24.75 -39.88 125.98 -25.42 -38.37 126.23 -25.27 3 0 16.88-999 ?-999 ?-999 ? ZN ZN A 401 mVAL~A 18 -40.87 125.30 -23.29 -40.87 126.30 -23.19 -42.70 124.92 -21.69 -42.75 125.42 -20.57 -41.38 124.39 -22.27 -40.34 124.24 -21.15 3 0 13.51-999 ?-999 ?-999 ? ZN ZN A 401 mPRO~A 19 -43.78 124.81 -22.48 -43.69 124.21 -23.27 -45.47 125.31 -20.75 -45.60 124.18 -20.31 -44.99 125.53 -22.17 -46.01 125.00 -23.19 3 0 15.03-999 ?-999 ?-999 ? ZN ZN A 401 mPHE~A 20 -45.72 126.41 -20.04 -45.62 127.27 -20.54 -47.48 125.65 -18.51 -47.77 125.12 -17.45 -46.12 126.33 -18.67 -46.13 127.73 -18.03 3 0 13.82-999 ?-999 ?-999 ? O3 B3P A 371 mSER~A 21 -48.28 125.64 -19.56 -47.91 126.11 -20.36 -49.51 123.46 -19.55 -50.51 122.81 -19.29 -49.59 125.00 -19.52 -50.42 125.44 -20.74 2 0 13.71-999 ?-999 ?-999 ? O3 B3P A 371 mTHR~A 22 -48.36 122.87 -19.88 -47.64 123.50 -20.20 -47.90 120.97 -18.33 -47.81 119.79 -18.06 -48.18 121.43 -19.78 -47.09 120.92 -20.78 2 0 11.04-999 ?-999 ?-999 ? O3 B3P A 371 mALA~A 23 -47.77 121.90 -17.40 -47.79 122.84 -17.75 -48.93 121.00 -15.46 -49.98 121.35 -15.97 -47.60 121.56 -15.99 -47.21 122.81 -15.18 2 0 8.52-999 ?-999 ?-999 ? O3 B3P A 371 mGLU.A 24 -48.88 120.17 -14.42 -47.95 119.94 -14.13 -50.90 120.79 -13.17 -50.34 121.81 -12.78 -50.09 119.66 -13.78 -49.72 118.65 -12.69 2 0 7.00-999 ?-999 ?-999 ? O3 B3P A 371 mSER.A 25 -52.22 120.60 -13.08 -52.55 119.71 -13.40 -52.81 121.97 -11.08 -52.96 123.09 -10.65 -53.09 121.65 -12.54 -54.57 121.26 -12.68 2 0 9.04-999 ?-999 ?-999 ? C7 B3P A 371 mTRP.A 26 -52.36 121.00 -10.31 -52.29 120.11 -10.77 -50.68 122.01 -8.72 -50.38 122.44 -7.63 -52.01 121.27 -8.89 -51.96 119.93 -8.09 3 0 -6.26-999 ?-999 ?-999 ? C7 B3P A 371s mASP.A 27 -49.87 122.12 -9.77 -50.29 121.85 -10.63 -48.46 124.14 -9.48 -49.44 124.81 -9.69 -48.48 122.60 -9.64 -47.69 122.20 -10.88 2 0 7.43-999 ?-999 ?-999 ? C5 B3P A 371 mASN.A 28 -47.30 124.68 -9.16 -46.58 124.02 -8.97 -45.88 126.48 -9.91 -44.75 126.27 -9.46 -47.12 126.11 -9.10 -46.97 126.50 -7.63 2 0 10.14-999 ?-999 ?-999 ? C5 B3P A 371 mVAL.A 29 -46.07 126.99 -11.11 -47.02 127.21 -11.30 -45.01 128.64 -12.58 -46.03 129.28 -12.47 -44.95 127.21 -12.05 -45.03 126.21 -13.25 3 0 11.98-999 ?-999 ?-999 ? ZN ZN A 401 mGLY^A 30 -43.89 129.12 -13.16 -43.12 128.48 -13.17 -43.00 131.35 -12.81 -42.18 130.90 -12.01 -43.79 130.44 -13.71-999.99-999.99-999.99 1 0 14.70-999 ?-999 ?-999 ? ZN ZN A 401 mLEU^A 31 -43.25 132.63 -12.92 -43.93 132.86 -13.62 -43.18 133.54 -10.70 -44.28 134.02 -10.45 -42.58 133.60 -12.10 -42.69 134.99 -12.69 3 0 17.33-999 ?-999 ?-999 ? ZN ZN A 401 mLEU^A 32 -42.45 132.95 -9.77 -41.56 132.62 -10.08 -42.64 134.03 -7.55 -43.43 134.41 -6.72 -42.97 132.83 -8.41 -42.47 131.56 -7.74 3 0 16.87-999 ?-999 ?-999 ? ZN ZN A 402 mILE^A 33 -41.44 134.59 -7.72 -40.88 134.19 -8.44 -40.28 136.63 -7.83 -39.31 136.22 -8.46 -41.01 135.69 -6.90 -40.06 135.26 -5.78 3 0 19.40-999 ?-999 ?-999 ? ZN ZN A 402 mGLY.A 34 -40.73 137.89 -7.94 -41.57 138.10 -7.45 -40.83 139.91 -9.40 -41.97 140.13 -9.01 -39.99 138.84 -8.76-999.99-999.99-999.99 1 0 22.46-999 ?-999 ?-999 ? ZN ZN A 401 mASP.A 35 -40.23 140.58 -10.38 -39.34 140.20 -10.61 -40.50 141.57 -12.57 -39.33 141.58 -13.02 -40.78 141.75 -11.07 -40.05 142.99 -10.55 2 0 25.24-999 ?-999 ?-999 ? ZN ZN A 401 mGLU.A 36 -41.56 141.42 -13.34 -42.44 141.57 -12.91 -40.70 142.16 -15.57 -40.22 141.88 -16.67 -41.38 141.06 -14.73 -42.69 140.67 -15.34 2 0 24.80-999 ?-999 ?-999 ? ZN ZN A 401 mASP.A 37 -40.68 143.39 -15.05 -41.11 143.47 -14.15 -38.56 144.61 -15.57 -37.92 145.45 -16.21 -40.08 144.51 -15.73 -40.71 145.86 -15.24 2 0 28.30-999 ?-999 ?-999 ? ZN ZN A 401 mVAL.A 38 -37.98 143.79 -14.70 -38.59 143.13 -14.29 -35.69 143.23 -15.49 -36.06 142.17 -16.01 -36.54 143.90 -14.40 -36.28 143.28 -13.02 3 0 27.68-999 ?-999 ?-999 ? ZN ZN A 401 mGLU.A 39 -34.57 143.88 -15.85 -34.43 144.75 -15.37 -32.84 142.20 -16.25 -32.38 142.27 -15.12 -33.64 143.36 -16.86 -32.71 144.46 -17.39 2 0 27.99-999 ?-999 ?-999 ? ZN ZN A 401 mVAL.A 40 -32.76 141.09 -16.97 -33.23 141.14 -17.85 -30.52 140.14 -16.57 -30.01 140.47 -17.64 -32.03 139.91 -16.48 -32.41 138.70 -17.32 3 0 25.06-999 ?-999 ?-999 ? ZN ZN A 401 mTHR.A 41 -29.80 139.95 -15.47 -30.32 139.66 -14.66 -27.62 138.83 -15.78 -26.48 138.83 -16.15 -28.35 140.15 -15.50 -27.82 140.74 -14.16 2 0 26.44-999 ?-999 ?-999 ? ZN ZN A 401 mGLY.A 42 -28.32 137.71 -15.61 -29.29 137.86 -15.43 -28.65 135.40 -15.01 -29.41 135.74 -14.14 -27.71 136.40 -15.67-999.99-999.99-999.99 1 0 23.50-999 ?-999 ?-999 ? ZN ZN A 401 mVAL^A 43 -28.57 134.16 -15.44 -27.84 134.02 -16.12 -28.67 131.89 -14.33 -27.80 131.30 -14.97 -29.43 133.09 -14.98 -30.27 132.55 -16.16 3 0 19.72-999 ?-999 ?-999 ? ZN ZN A 401 mLEU^A 44 -29.05 131.54 -13.10 -29.73 132.16 -12.70 -29.64 129.32 -12.33 -30.78 129.63 -11.99 -28.55 130.38 -12.37 -28.20 130.77 -10.95 3 0 17.70-999 ?-999 ?-999 ? ZN ZN A 401 mTHR^A 45 -29.29 128.11 -12.73 -28.35 128.04 -13.04 -30.03 126.16 -11.46 -28.91 126.03 -10.99 -30.23 126.99 -12.70 -30.13 126.13 -13.94 2 0 14.06-999 ?-999 ?-999 ? ZN ZN A 401 mALA^A 46 -31.14 125.62 -10.94 -31.94 125.69 -11.54 -32.24 123.89 -9.59 -33.18 123.93 -10.37 -31.18 124.97 -9.62 -31.44 126.01 -8.48 2 0 11.81-999 ?-999 ?-999 ? ZN ZN A 402 mLEU.A 47 -32.02 122.87 -8.74 -31.12 122.83 -8.31 -33.99 122.50 -7.42 -35.18 122.76 -7.69 -33.05 121.90 -8.48 -32.48 120.55 -8.01 3 0 8.21-999 ?-999 ?-999 ? ZN ZN A 402 mASP.A 48 -33.44 122.65 -6.21 -32.54 122.23 -6.11 -33.34 124.69 -4.89 -32.10 124.77 -4.84 -34.05 123.35 -5.12 -34.00 122.50 -3.86 2 0 9.04-999 ?-999 ?-999 ? ZN ZN A 402 mCYH.A 49 -34.15 125.73 -4.76 -35.11 125.54 -4.90 -33.44 127.18 -2.93 -34.30 127.62 -2.25 -33.64 127.04 -4.43 -34.58 128.12 -4.97 2 0 12.46-999 ?-999 ?-999 ? ZN ZN A 402 mTHR~A 50 -32.28 126.73 -2.44 -31.68 126.32 -3.13 -31.31 128.21 -0.73 -30.94 128.99 -1.64 -31.92 126.83 -1.04 -30.85 125.77 -0.68 2 0 14.42-999 ?-999 ?-999 ? ZN ZN A 402 mLEU~A 51 -31.13 128.50 0.54 -31.47 127.82 1.19 -29.06 129.82 0.26 -28.67 130.88 -0.22 -30.46 129.75 0.91 -30.30 129.87 2.43 3 0 18.19-999 ?-999 ?-999 ? ZN ZN A 402 mGLU~A 52 -28.29 128.73 0.30 -28.69 127.96 0.80 -27.05 129.01 -1.87 -26.18 129.71 -2.40 -26.98 128.68 -0.36 -26.26 127.34 -0.09 2 0 18.85-999 ?-999 ?-999 ? ZN ZN A 402 mVAL~A 53 -28.10 128.57 -2.55 -28.74 128.03 -2.01 -28.51 130.39 -4.18 -27.97 131.00 -5.10 -28.25 128.89 -3.99 -29.39 128.07 -4.64 3 0 17.01-999 ?-999 ?-999 ? ZN ZN A 402 mVAL~A 54 -29.36 130.99 -3.33 -29.83 130.38 -2.69 -28.24 133.21 -3.18 -27.97 134.16 -3.90 -29.56 132.45 -3.38 -30.63 132.94 -2.35 3 0 19.22-999 ?-999 ?-999 ? ZN ZN A 402 mASN~A 55 -27.43 132.78 -2.20 -27.80 132.03 -1.65 -25.16 133.23 -3.15 -24.40 134.15 -3.47 -26.11 133.37 -1.95 -25.48 132.80 -0.68 2 0 22.20-999 ?-999 ?-999 ? ZN ZN A 402 mGLU~A 56 -25.22 132.10 -3.83 -25.82 131.42 -3.41 -24.91 132.85 -6.16 -24.07 133.48 -6.77 -24.47 131.87 -5.05 -24.62 130.40 -5.48 2 0 21.50-999 ?-999 ?-999 ? ZN ZN A 402 mALA~A 57 -26.22 133.00 -6.39 -26.81 132.40 -5.85 -26.13 135.40 -7.08 -25.64 136.07 -7.96 -26.69 133.99 -7.38 -28.20 134.04 -7.44 2 0 21.54-999 ?-999 ?-999 ? ZN ZN A 402 mILE~A 58 -26.26 135.82 -5.83 -26.68 135.14 -5.23 -24.34 137.35 -5.66 -23.91 138.40 -6.13 -25.82 137.15 -5.38 -26.11 137.33 -3.88 3 0 24.77-999 ?-999 ?-999 ? ZN ZN A 402 mGLU~A 59 -23.57 136.31 -5.40 -24.10 135.50 -5.13 -21.72 136.35 -6.95 -20.77 137.01 -7.29 -22.14 136.31 -5.48 -21.70 135.03 -4.76 2 0 26.28-999 ?-999 ?-999 ? ZN ZN A 402 mLYS~A 60 -22.45 135.66 -7.83 -23.20 135.14 -7.42 -22.69 136.89 -10.03 -22.49 137.02 -11.23 -22.15 135.69 -9.28 -22.68 134.43 -9.96 2 0 25.73-999 ?-999 ?-999 ? ZN ZN A 402 mGLY~A 61 -23.40 137.76 -9.33 -23.44 137.56 -8.35 -25.28 138.58 -10.78 -25.67 139.35 -11.66 -24.04 138.91 -9.96-999.99-999.99-999.99 1 0 27.17-999 ?-999 ?-999 ? ZN ZN A 402 mTYR.A 62 -25.93 137.45 -10.48 -25.55 136.94 -9.72 -28.42 137.36 -10.49 -28.54 137.01 -9.31 -27.12 137.04 -11.24 -27.08 135.54 -11.49 3 0 23.97-999 ?-999 ?-999 ? ZN ZN A 401 mASN.A 63 -29.38 137.98 -11.18 -29.16 138.16 -12.13 -31.80 137.45 -10.96 -32.95 137.74 -10.67 -30.65 138.35 -10.55 -31.02 139.83 -10.81 2 0 23.56-999 ?-999 ?-999 ? ZN ZN A 401 mTHR^A 64 -31.49 136.29 -11.57 -30.51 136.12 -11.72 -32.07 133.95 -11.68 -30.95 133.52 -12.08 -32.51 135.35 -11.98 -32.81 135.50 -13.50 2 0 20.09-999 ?-999 ?-999 ? ZN ZN A 401 mILE^A 65 -32.96 133.22 -10.99 -33.75 133.75 -10.68 -33.96 131.04 -11.30 -35.12 131.45 -11.12 -32.79 131.79 -10.71 -32.71 131.51 -9.18 3 0 16.69-999 ?-999 ?-999 ? ZN ZN A 401 mILE^A 66 -33.68 129.97 -12.04 -32.70 129.87 -12.24 -34.49 127.72 -11.79 -33.43 127.11 -11.96 -34.73 129.04 -12.52 -34.69 128.77 -14.05 3 0 13.43-999 ?-999 ?-999 ? ZN ZN A 401 mSER^A 67 -35.44 127.33 -10.93 -36.18 128.00 -10.83 -36.43 125.12 -10.86 -37.37 125.54 -11.58 -35.40 126.06 -10.23 -35.71 126.26 -8.72 2 0 10.45-999 ?-999 ?-999 ? ZN ZN A 401 mHIS.A 68 -36.22 123.84 -10.64 -35.34 123.64 -10.22 -38.29 122.84 -9.95 -39.45 123.07 -10.26 -37.20 122.83 -10.99 -36.55 121.46 -11.03 3 0 -6.72-999 ?-999 ?-999 ? ZN ZN A 401s mHIS.A 69 -37.91 122.64 -8.70 -36.92 122.56 -8.59 -39.37 123.96 -7.18 -38.55 124.86 -7.05 -38.89 122.57 -7.59 -38.34 121.89 -6.38 3 0 -6.18-999 ?-999 ?-999 ? ZN ZN A 402s mPRO.A 70 -40.71 124.15 -7.05 -41.29 123.35 -7.18 -40.95 125.80 -5.26 -41.34 125.04 -4.39 -41.21 125.48 -6.72 -42.69 125.40 -7.01 3 0 9.38-999 ?-999 ?-999 ? ZN ZN A 402 mLEU.A 71 -40.25 126.89 -5.00 -39.98 127.43 -5.80 -41.24 127.51 -2.86 -41.31 127.26 -1.69 -39.93 127.25 -3.64 -39.05 128.50 -3.59 3 0 11.67-999 ?-999 ?-999 ? ZN ZN A 402 mILE.A 72 -42.22 128.10 -3.52 -41.98 128.38 -4.44 -44.41 127.31 -3.64 -44.53 127.34 -4.85 -43.54 128.30 -2.93 -44.09 129.72 -3.18 3 0 12.02-999 ?-999 ?-999 ? O4 B3P A 371 mPHE.A 73 -45.02 126.40 -2.90 -44.90 126.49 -1.91 -47.22 125.51 -3.04 -48.10 125.99 -3.77 -45.80 125.38 -3.53 -45.19 123.99 -3.30 3 0 8.61-999 ?-999 ?-999 ? O4 B3P A 371 mLYS.A 74 -47.47 125.16 -1.79 -46.75 124.67 -1.29 -48.64 126.97 -0.88 -47.55 127.48 -0.73 -48.78 125.51 -1.27 -49.19 124.65 -0.08 2 0 9.08-999 ?-999 ?-999 ? C5 B3P A 371 mGLY.A 75 -49.74 127.67 -0.71 -50.61 127.21 -0.86 -48.83 129.22 1.03 -49.05 128.46 1.99 -49.54 129.05 -0.32-999.99-999.99-999.99 1 0 12.77-999 ?-999 ?-999 ? C5 B3P A 371 mVAL.A 76 -47.97 130.23 1.13 -47.89 130.80 0.31 -48.10 131.37 3.15 -48.68 132.26 2.59 -47.23 130.45 2.35 -45.86 131.06 2.06 3 0 15.02-999 ?-999 ?-999 ? O4 B3P A 371 mTHR.A 77 -48.29 131.08 4.43 -47.80 130.27 4.75 -48.38 132.90 6.10 -48.96 133.81 6.68 -49.15 131.88 5.28 -49.99 131.00 6.23 2 0 17.80-999 ?-999 ?-999 ? O4 B3P A 371 mSER.A 78 -47.06 132.77 6.13 -46.70 131.91 5.77 -44.89 133.96 6.02 -44.45 133.02 5.36 -46.25 133.88 6.66 -46.12 133.81 8.17 2 0 20.13-999 ?-999 ?-999 ? O4 B3P A 371 mLEU.A 79 -44.25 135.13 6.16 -44.78 135.79 6.68 -42.05 136.00 6.68 -41.80 137.21 6.75 -42.92 135.40 5.61 -43.03 136.32 4.41 3 0 21.33-999 ?-999 ?-999 ? O4 B3P A 371 mLYS.A 80 -41.57 135.11 7.52 -41.85 134.17 7.31 -39.26 135.13 8.40 -38.92 134.35 7.48 -40.72 135.47 8.64 -41.25 134.77 9.90 2 0 23.43-999 ?-999 ?-999 ? O4 B3P A 371 mALA.A 81 -38.37 135.67 9.24 -38.77 136.24 9.95 -36.54 134.02 9.64 -35.73 133.87 10.53 -36.93 135.42 9.10 -36.11 136.57 9.76 2 0 24.95-999 ?-999 ?-999 ? O4 B3P A 371 mASN.A 82 -37.14 132.99 9.09 -37.70 133.23 8.29 -37.38 130.68 8.50 -38.27 130.96 7.72 -37.01 131.63 9.60 -38.00 131.43 10.75 2 0 22.55-999 ?-999 ?-999 ? O4 B3P A 371 mGLY~A 83 -36.70 129.54 8.41 -35.91 129.49 9.01 -37.08 128.96 6.04 -36.20 129.74 5.61 -37.12 128.49 7.49-999.99-999.99-999.99 1 0 19.24-999 ?-999 ?-999 ? O4 B3P A 371 mTYR~A 84 -38.10 128.55 5.30 -38.72 127.92 5.78 -38.50 130.49 3.80 -38.18 131.06 2.77 -38.29 128.97 3.92 -39.44 128.21 3.23 3 0 17.00-999 ?-999 ?-999 ? O4 B3P A 371 mGLY~A 85 -39.02 131.11 4.85 -39.27 130.50 5.60 -37.92 133.28 4.63 -37.90 134.33 4.02 -39.21 132.55 4.91-999.99-999.99-999.99 1 0 19.74-999 ?-999 ?-999 ? O4 B3P A 371 mLEU~A 86 -36.82 132.72 5.12 -36.98 131.83 5.53 -35.08 133.40 3.60 -34.53 134.38 3.11 -35.52 133.36 5.05 -34.55 132.49 5.85 3 0 21.64-999 ?-999 ?-999 ? ZN ZN A 402 mILE~A 87 -35.36 132.34 2.88 -35.85 131.61 3.35 -35.79 133.27 0.68 -35.28 134.03 -0.15 -34.97 132.29 1.50 -35.16 130.86 0.97 3 0 18.92-999 ?-999 ?-999 ? ZN ZN A 402 mILE~A 88 -37.10 133.24 0.89 -37.39 132.60 1.60 -37.72 135.58 0.38 -37.65 136.41 -0.56 -38.02 134.09 0.13 -39.50 133.79 0.53 3 0 19.45-999 ?-999 ?-999 ? ZN ZN A 402 mARG~A 89 -37.50 135.91 1.67 -37.57 135.17 2.34 -35.82 137.68 1.43 -35.69 138.83 0.98 -37.18 137.26 2.02 -37.21 137.45 3.53 2 0 23.18-999 ?-999 ?-999 ? ZN ZN A 402 mLYS~A 90 -34.81 136.78 1.46 -35.00 135.91 1.89 -33.61 137.43 -0.65 -33.00 138.39 -1.11 -33.53 137.12 0.86 -32.47 136.06 1.12 2 0 23.18-999 ?-999 ?-999 ? ZN ZN A 402 mLEU~A 91 -34.34 136.60 -1.40 -34.66 135.79 -0.91 -35.17 138.29 -3.00 -34.64 139.06 -3.80 -34.63 136.89 -2.82 -35.63 135.88 -3.42 3 0 21.58-999 ?-999 ?-999 ? ZN ZN A 402 mILE~A 92 -36.25 138.61 -2.30 -36.58 137.89 -1.68 -35.98 141.03 -2.03 -35.83 141.99 -2.77 -36.90 139.88 -2.41 -38.21 139.91 -1.62 3 0 24.21-999 ?-999 ?-999 ? ZN ZN A 402 mGLN~A 93 -35.31 140.93 -0.90 -35.45 140.07 -0.39 -33.21 142.16 -1.37 -32.66 143.23 -1.41 -34.44 141.98 -0.46 -34.03 141.77 0.99 2 0 27.05-999 ?-999 ?-999 ? ZN ZN A 402 mHIS~A 94 -32.86 141.16 -2.18 -33.39 140.32 -2.07 -32.24 141.50 -4.55 -31.43 141.41 -5.45 -31.76 141.35 -3.13 -30.75 140.20 -3.02 3 0 26.44-999 ?-999 ?-999 ? ZN ZN A 402 mASP.A 95 -33.53 141.73 -4.75 -34.08 141.80 -3.92 -33.72 140.69 -7.00 -33.32 140.88 -8.15 -34.09 141.88 -6.09 -33.63 143.19 -6.68 2 0 26.03-999 ?-999 ?-999 ? ZN ZN A 402 mILE.A 96 -33.85 139.48 -6.49 -34.14 139.48 -5.53 -34.94 137.69 -7.65 -35.86 137.57 -6.80 -33.58 138.26 -7.26 -32.77 137.21 -6.51 3 0 22.56-999 ?-999 ?-999 ? ZN ZN A 402 mASN^A 97 -35.04 137.34 -8.94 -34.20 137.51 -9.45 -36.15 135.26 -9.59 -35.13 134.71 -10.00 -36.24 136.79 -9.55 -36.43 137.41 -10.92 2 0 20.60-999 ?-999 ?-999 ? ZN ZN A 401 mLEU^A 98 -37.18 134.59 -9.10 -37.93 135.15 -8.75 -38.33 132.65 -9.98 -39.53 132.94 -9.75 -37.21 133.16 -9.11 -37.42 132.60 -7.67 3 0 16.90-999 ?-999 ?-999 ? ZN ZN A 402 mILE^A 99 -37.94 131.79 -10.91 -36.96 131.62 -10.92 -38.81 129.66 -11.58 -37.72 129.10 -11.43 -38.87 131.16 -11.83 -38.48 131.43 -13.28 3 0 14.64-999 ?-999 ?-999 ? ZN ZN A 401 mALA^A 100 -39.97 129.03 -11.53 -40.75 129.65 -11.62 -40.56 126.94 -12.66 -41.61 127.30 -13.23 -40.07 127.59 -11.35 -41.05 127.25 -10.17 2 0 11.06-999 ?-999 ?-999 ? ZN ZN A 401 mMET.A 101 -39.74 126.02 -13.16 -38.88 125.97 -12.66 -40.11 123.76 -13.76 -39.10 123.02 -13.73 -40.06 125.18 -14.32 -39.03 125.35 -15.44 2 0 9.12-999 ?-999 ?-999 ? ZN ZN A 401 mHIS~A 102 -41.31 123.43 -13.26 -42.05 124.08 -13.41 -42.14 121.16 -13.46 -41.42 120.64 -14.30 -41.54 122.25 -12.56 -42.32 122.46 -11.25 3 0 6.15-999 ?-999 ?-999 ? ZN ZN A 401 mTHR~A 103 -43.40 120.75 -13.26 -43.94 121.28 -12.60 -43.87 119.80 -15.51 -43.78 118.83 -16.22 -43.88 119.59 -14.00 -45.21 119.03 -13.50 2 0 5.57-999 ?-999 ?-999 ? C10 B3P A 371 mASN~A 104 -43.92 121.07 -15.98 -44.10 121.77 -15.29 -42.35 120.83 -17.89 -42.27 120.35 -19.01 -43.70 121.36 -17.40 -44.00 122.84 -17.81 2 0 8.72-999 ?-999 ?-999 ? ZN ZN A 401 mLEU~A 105 -41.30 120.92 -17.08 -41.47 121.40 -16.22 -40.00 118.79 -17.28 -39.29 118.12 -18.01 -40.02 120.34 -17.43 -38.91 120.92 -16.59 3 0 7.12-999 ?-999 ?-999 ? ZN ZN A 401 mASP~A 106 -40.77 118.25 -16.33 -41.27 118.91 -15.77 -41.48 116.15 -17.40 -41.16 115.04 -17.68 -40.84 116.80 -16.16 -41.67 116.42 -14.91 2 0 4.92-999 ?-999 ?-999 ? ZN ZN A 401s mVAL~A 107 -42.40 116.84 -18.08 -42.55 117.78 -17.77 -42.60 116.67 -20.59 -43.11 116.25 -21.63 -43.11 116.21 -19.22 -44.63 116.46 -19.17 3 0 8.42-999 ?-999 ?-999 ? O3 B3P A 371 mASN.A 108 -41.59 117.54 -20.61 -41.24 117.80 -19.71 -40.22 117.00 -22.61 -39.44 116.30 -21.95 -41.08 118.06 -21.88 -40.21 119.28 -21.64 2 0 10.68-999 ?-999 ?-999 ? ZN ZN A 401 mPRO.A 109 -40.29 116.96 -23.95 -40.95 117.59 -24.37 -37.93 116.25 -24.53 -37.17 115.33 -24.75 -39.43 116.03 -24.71 -39.81 116.29 -26.19 3 0 13.29-999 ?-999 ?-999 ? ZN ZN A 401 mHIS.A 110 -37.52 117.44 -24.13 -38.24 118.13 -24.09 -35.90 117.93 -22.30 -34.89 118.45 -21.89 -36.10 117.68 -23.80 -35.56 118.85 -24.61 3 0 12.90-999 ?-999 ?-999 ? ZN ZN A 401 mGLY~A 111 -36.86 117.50 -21.50 -37.57 116.98 -21.98 -36.16 116.75 -19.16 -35.19 116.08 -19.58 -36.86 117.78 -20.05-999.99-999.99-999.99 1 0 9.12-999 ?-999 ?-999 ? ZN ZN A 401 mVAL~A 112 -36.65 116.64 -17.93 -37.53 117.10 -17.80 -35.66 114.49 -17.25 -34.58 113.97 -16.98 -35.95 115.92 -16.87 -36.78 115.90 -15.56 3 0 6.55-999 ?-999 ?-999 ? ZN ZN A 401 mASN~A 113 -36.62 113.85 -17.90 -37.40 114.42 -18.15 -35.59 112.10 -19.41 -34.78 111.15 -19.40 -36.45 112.42 -18.19 -37.82 111.76 -18.13 2 0 8.51-999 ?-999 ?-999 ? ZN ZN A 401 mMET~A 114 -35.67 112.95 -20.42 -36.46 113.57 -20.38 -33.29 113.14 -20.92 -32.35 112.37 -21.25 -34.68 112.95 -21.49 -35.00 114.02 -22.52 2 0 11.75-999 ?-999 ?-999 ? ZN ZN A 401 mMET~A 115 -33.17 114.09 -20.01 -34.02 114.57 -19.79 -31.34 113.25 -18.59 -30.15 112.95 -18.65 -31.88 114.40 -19.39 -31.99 115.61 -18.49 2 0 11.26-999 ?-999 ?-999 ? ZN ZN A 401 mLEU~A 116 -32.21 112.62 -17.80 -33.12 113.03 -17.75 -31.34 110.32 -18.06 -30.27 109.74 -17.89 -31.80 111.41 -17.10 -32.92 110.91 -16.17 3 0 10.89-999 ?-999 ?-999 ? ZN ZN A 401 mALA~A 117 -32.13 110.05 -19.10 -32.94 110.63 -19.17 -30.50 109.26 -20.74 -29.64 108.36 -20.89 -31.82 108.98 -20.04 -32.92 108.83 -21.04 2 0 13.83-999 ?-999 ?-999 ? ZN ZN A 401 mLYS~A 118 -30.27 110.51 -21.12 -31.03 111.15 -20.96 -27.80 110.73 -20.78 -26.75 110.25 -21.18 -28.99 110.87 -21.74 -29.03 112.29 -22.35 2 0 15.82-999 ?-999 ?-999 ? ZN ZN A 401 mVAL~A 119 -27.96 111.15 -19.50 -28.85 111.55 -19.30 -26.53 109.54 -18.31 -25.36 109.14 -18.06 -26.86 111.00 -18.52 -27.19 111.68 -17.19 3 0 15.56-999 ?-999 ?-999 ? ZN ZN A 401 mMET~A 120 -27.55 108.70 -18.47 -28.43 109.15 -18.60 -26.78 106.56 -19.69 -26.49 105.38 -19.65 -27.37 107.24 -18.44 -28.71 106.56 -18.09 2 0 16.86-999 ?-999 ?-999 ? ZN ZN A 401 mGLY.A 121 -26.59 107.33 -20.76 -26.82 108.29 -20.60 -27.09 106.06 -22.84 -26.69 105.28 -23.64 -26.09 106.87 -22.02-999.99-999.99-999.99 1 0 19.67-999 ?-999 ?-999 ? ZN ZN A 401 mLEU.A 122 -28.38 106.26 -22.64 -28.60 107.00 -22.01 -29.71 105.86 -24.75 -29.37 106.95 -25.17 -29.37 105.43 -23.31 -30.63 105.32 -22.45 3 0 19.19-999 ?-999 ?-999 ? ZN ZN A 401 mLYS^A 123 -30.36 104.94 -25.46 -30.64 104.16 -24.90 -32.17 104.88 -27.08 -32.85 104.40 -26.16 -30.65 105.03 -26.89 -29.97 103.88 -27.65 2 0 21.24-999 ?-999 ?-999 ? ZN ZN A 401 mASN^A 124 -32.65 105.34 -28.23 -31.95 105.77 -28.80 -35.03 105.75 -27.59 -35.92 105.03 -27.17 -34.05 105.25 -28.66 -34.38 103.83 -29.07 2 0 21.33-999 ?-999 ?-999 ? ZN ZN A 401 mILE^A 125 -34.79 106.97 -27.14 -34.09 107.47 -27.65 -36.74 108.14 -26.55 -36.65 108.91 -27.46 -35.47 107.55 -26.03 -34.64 108.67 -25.41 3 0 17.63-999 ?-999 ?-999 ? ZN ZN A 401 mSER^A 126 -37.90 107.76 -26.02 -37.83 107.01 -25.37 -40.03 108.73 -25.19 -40.01 108.00 -24.20 -39.16 108.45 -26.41 -39.95 107.67 -27.47 2 0 16.93-999 ?-999 ?-999 ? C11 B3P A 371 mILE^A 127 -40.76 109.84 -25.27 -40.60 110.38 -26.09 -42.73 109.10 -24.08 -43.13 108.48 -25.06 -41.69 110.21 -24.25 -42.39 111.55 -24.61 3 0 13.73-999 ?-999 ?-999 ? C11 B3P A 371 mILE.A 128 -43.11 108.84 -22.83 -42.58 109.28 -22.11 -45.30 108.72 -21.74 -45.09 109.84 -21.34 -44.23 107.96 -22.56 -43.78 106.66 -21.81 3 0 12.57-999 ?-999 ?-999 ? C11 B3P A 371 mASN.A 129 -46.45 108.06 -21.53 -46.48 107.15 -21.93 -48.09 109.92 -21.39 -48.44 110.85 -20.67 -47.56 108.61 -20.77 -47.15 108.78 -19.29 2 0 10.99-999 ?-999 ?-999 ? C11 B3P A 371 mASN^A 130 -48.16 109.96 -22.71 -48.06 109.07 -23.15 -49.66 111.93 -23.05 -50.70 111.27 -22.95 -48.36 111.22 -23.43 -48.36 110.99 -24.95 2 0 12.66-999 ?-999 ?-999 ? O3 B3P A 371 mGLN^A 131 -49.60 113.25 -22.86 -48.67 113.62 -22.80 -51.69 113.99 -24.07 -51.27 113.38 -25.09 -50.81 114.08 -22.75 -50.43 115.52 -22.40 2 0 12.31-999 ?-999 ?-999 ? O3 B3P A 371 mGLN^A 132 -52.91 114.51 -24.04 -53.19 114.86 -23.15 -54.07 115.99 -25.55 -54.58 116.68 -24.69 -53.75 114.56 -25.26 -55.05 113.77 -25.09 2 0 15.86-999 ?-999 ?-999 ? O3 B3P A 371 mASP^A 133 -53.75 116.44 -26.75 -53.30 115.76 -27.34 -55.36 117.79 -27.88 -55.67 116.84 -28.58 -54.03 117.79 -27.16 -52.93 118.32 -28.08 2 0 17.97-999 ?-999 ?-999 ? O3 B3P A 371 mVAL^A 134 -56.14 118.85 -27.66 -55.75 119.49 -26.99 -57.21 120.11 -29.38 -56.58 121.14 -29.15 -57.42 119.06 -28.32 -58.51 119.54 -27.34 3 0 20.90-999 ?-999 ?-999 ? O3 B3P A 371 mTYR^A 135 -57.73 119.80 -30.57 -58.10 118.87 -30.61 -59.16 120.65 -32.25 -59.97 119.83 -31.81 -57.75 120.69 -31.71 -56.80 120.21 -32.79 3 0 24.25-999 ?-999 ?-999 ? O3 B3P A 371 mTYR^A 136 -59.45 121.53 -33.19 -58.73 122.20 -33.37 -60.46 121.46 -35.37 -59.67 122.25 -35.88 -60.72 121.50 -33.88 -61.62 122.69 -33.50 3 0 27.76-999 ?-999 ?-999 ? O3 B3P A 371 mLYS^A 137 -61.06 120.50 -36.05 -61.42 119.75 -35.49 -62.39 121.45 -37.82 -63.55 121.05 -37.61 -61.18 120.57 -37.49 -61.33 119.19 -38.10 2 0 30.77-999 ?-999 ?-999 ? O3 B3P A 371 mVAL^A 138 -62.10 122.64 -38.32 -61.12 122.81 -38.42 -63.65 123.26 -40.06 -62.87 123.21 -41.00 -63.12 123.62 -38.67 -62.53 125.04 -38.69 3 0 33.45-999 ?-999 ?-999 ? O3 B3P A 371 mGLN^A 139 -64.95 123.00 -40.17 -65.45 123.03 -39.31 -66.41 123.89 -41.92 -67.18 124.44 -41.14 -65.58 122.71 -41.47 -66.45 121.45 -41.39 2 0 36.79-999 ?-999 ?-999 ? O3 B3P A 371 mLYS.A 201 -67.54 123.30 -49.38 -67.76 123.64 -50.29 -65.71 122.77 -47.80 -65.01 121.84 -48.23 -67.22 122.79 -48.04 -67.81 121.38 -47.83 2 0 43.13-999 ?-999 ?-999 ? O3 B3P A 371 mILE.A 202 -65.21 123.80 -47.12 -65.90 124.48 -46.86 -63.53 123.21 -45.44 -64.45 123.05 -44.63 -63.79 123.90 -46.78 -63.32 125.38 -46.66 3 0 40.68-999 ?-999 ?-999 ? O3 B3P A 371 mGLU.A 203 -62.28 122.80 -45.19 -61.68 122.83 -45.99 -60.37 122.56 -43.55 -59.52 122.47 -44.45 -61.86 122.35 -43.85 -62.26 120.88 -43.58 2 0 36.94-999 ?-999 ?-999 ? O3 B3P A 371 mPHE^A 204 -60.08 122.83 -42.28 -60.88 122.76 -41.67 -58.71 123.15 -40.27 -59.76 123.11 -39.63 -58.74 123.21 -41.80 -58.38 124.63 -42.26 3 0 34.06-999 ?-999 ?-999 ? O3 B3P A 371 mMET^A 205 -57.50 123.16 -39.72 -56.76 123.34 -40.37 -57.20 124.24 -37.50 -57.06 125.31 -38.07 -57.29 122.95 -38.28 -56.02 122.13 -38.04 2 0 30.32-999 ?-999 ?-999 ? O3 B3P A 371 mILE^A 206 -57.30 124.10 -36.18 -57.54 123.17 -35.90 -56.76 124.60 -33.86 -57.20 123.50 -33.53 -57.09 125.20 -35.24 -58.33 126.14 -35.11 3 0 28.35-999 ?-999 ?-999 ? O3 B3P A 371 mASP^A 207 -55.97 125.32 -33.07 -55.50 126.08 -33.53 -57.11 125.32 -30.94 -57.84 126.23 -31.35 -55.81 125.01 -31.64 -54.72 125.86 -30.99 2 0 24.80-999 ?-999 ?-999 ? O3 B3P A 371 mALA.A 208 -57.38 124.59 -29.86 -56.64 123.98 -29.59 -58.93 126.14 -28.69 -60.08 126.56 -28.63 -58.66 124.71 -29.15 -58.71 123.75 -27.96 2 0 24.06-999 ?-999 ?-999 ? O3 B3P A 371 mTYR.A 209 -57.86 126.87 -28.41 -56.99 126.38 -28.53 -58.40 129.23 -29.06 -58.91 130.30 -28.75 -57.94 128.26 -27.95 -56.59 128.71 -27.37 3 0 24.59-999 ?-999 ?-999 ? O3 B3P A 371 mGLN~A 210 -58.23 128.85 -30.32 -57.82 127.94 -30.42 -60.09 129.64 -31.81 -60.58 130.44 -32.62 -58.60 129.70 -31.46 -57.81 129.32 -32.71 2 0 28.13-999 ?-999 ?-999 ? O3 B3P A 371 mLYS~A 211 -60.80 128.68 -31.21 -60.27 128.12 -30.58 -63.04 129.79 -31.37 -63.88 130.07 -32.22 -62.24 128.49 -31.46 -62.81 127.43 -30.51 2 0 29.34-999 ?-999 ?-999 ? O3 B3P A 371 mSER~A 212 -62.78 130.58 -30.34 -62.09 130.22 -29.71 -63.15 132.83 -31.32 -64.05 133.23 -32.06 -63.47 131.87 -30.17 -63.09 132.50 -28.83 2 0 30.96-999 ?-999 ?-999 ? O3 B3P A 371 mARG~A 213 -61.87 133.18 -31.49 -61.24 132.72 -30.85 -61.91 133.71 -33.89 -62.50 134.49 -34.64 -61.44 134.15 -32.51 -59.92 134.32 -32.51 2 0 32.69-999 ?-999 ?-999 ? O3 B3P A 371 mALA~A 214 -61.64 132.44 -34.20 -61.13 131.95 -33.49 -63.53 132.09 -35.76 -63.90 132.48 -36.87 -62.05 131.84 -35.47 -61.78 130.34 -35.44 2 0 33.70-999 ?-999 ?-999 ? O3 B3P A 371 mGLU~A 215 -64.37 131.88 -34.76 -63.93 131.56 -33.92 -66.14 133.60 -35.06 -67.00 133.96 -35.87 -65.81 132.12 -34.89 -66.55 131.54 -33.69 2 0 35.41-999 ?-999 ?-999 ? O3 B3P A 371 mGLN~A 216 -65.48 134.47 -34.28 -64.91 134.04 -33.58 -65.28 136.27 -35.93 -65.97 137.07 -36.56 -65.61 135.93 -34.47 -64.67 136.69 -33.53 2 0 37.08-999 ?-999 ?-999 ? O3 B3P A 371 mLEU~A 217 -64.24 135.62 -36.45 -63.75 135.05 -35.78 -64.83 135.05 -38.79 -65.35 135.67 -39.72 -63.84 135.73 -37.85 -62.44 135.12 -38.05 3 0 38.30-999 ?-999 ?-999 ? O3 B3P A 371 mLYS~A 219 -68.02 134.01 -38.53 -67.52 133.83 -37.68 -69.31 136.04 -39.11 -70.35 136.60 -39.50 -69.35 134.61 -38.58 -70.01 134.59 -37.19 2 0 41.08-999 ?-999 ?-999 ? O3 B3P A 371 mGLN.A 220 -68.12 136.64 -39.13 -67.37 136.09 -38.76 -68.16 138.04 -41.17 -68.97 138.84 -41.66 -67.97 137.99 -39.65 -66.62 138.58 -39.23 2 0 42.79-999 ?-999 ?-999 ? O3 B3P A 371 mTYR.A 221 -67.44 137.21 -41.92 -66.81 136.61 -41.43 -68.03 135.88 -43.90 -67.29 134.90 -43.78 -67.62 137.23 -43.38 -66.36 137.72 -44.10 3 0 44.78-999 ?-999 ?-999 ? O3 B3P A 371 mHIS.A 222 -69.22 135.82 -44.49 -69.79 136.63 -44.36 -70.82 135.07 -46.10 -71.55 136.01 -45.75 -69.63 134.66 -45.24 -69.97 133.49 -44.32 3 0 45.92-999 ?-999 ?-999 ? O3 B3P A 371 mPRO.A 223 -70.98 134.40 -47.24 -70.24 133.76 -47.47 -73.44 134.37 -47.31 -74.40 135.12 -47.50 -72.14 134.59 -48.07 -71.96 133.52 -49.14 3 0 49.30-999 ?-999 ?-999 ? O3 B3P A 371 mTYR.A 224 -73.45 133.37 -46.44 -72.58 132.91 -46.30 -75.17 134.14 -44.84 -74.36 134.88 -44.26 -74.68 133.01 -45.76 -74.49 131.71 -45.00 3 0 48.43-999 ?-999 ?-999 ? O3 B3P A 371 mGLU.A 225 -76.49 134.29 -44.75 -77.01 133.74 -45.40 -76.70 134.59 -42.42 -76.31 135.29 -41.49 -77.09 135.19 -43.76 -78.62 135.24 -43.91 2 0 49.41-999 ?-999 ?-999 ? O3 B3P A 371 mTHR.A 226 -76.79 133.27 -42.39 -77.30 132.88 -43.15 -75.19 131.57 -42.04 -75.58 130.60 -42.70 -76.21 132.46 -41.35 -77.28 131.55 -40.74 2 0 46.17-999 ?-999 ?-999 ? O3 B3P A 371 mPRO.A 227 -73.88 131.90 -41.94 -73.67 132.77 -41.48 -73.01 129.63 -41.83 -73.43 129.57 -40.68 -72.88 130.99 -42.50 -71.54 131.65 -42.16 3 0 44.28-999 ?-999 ?-999 ? O3 B3P A 371 mVAL.A 228 -72.71 128.57 -42.55 -72.48 128.75 -43.51 -71.30 126.80 -41.68 -70.47 126.78 -42.59 -72.72 127.24 -41.94 -73.38 126.20 -42.83 3 0 42.53-999 ?-999 ?-999 ? O3 B3P A 371 mPHE.A 229 -71.04 126.45 -40.43 -71.81 126.55 -39.80 -69.81 125.01 -38.83 -70.74 125.08 -38.01 -69.73 125.95 -40.03 -68.76 127.11 -39.74 3 0 38.90-999 ?-999 ?-999 ? O3 B3P A 371 mASP^A 230 -68.85 124.11 -38.74 -68.19 124.13 -39.50 -67.37 123.20 -37.07 -66.39 123.29 -37.80 -68.77 123.17 -37.65 -69.05 121.76 -38.15 2 0 35.82-999 ?-999 ?-999 ? O3 B3P A 371 mPHE^A 231 -67.30 123.12 -35.75 -68.17 123.28 -35.28 -66.07 121.38 -34.58 -66.77 121.06 -33.64 -66.04 122.83 -35.07 -65.84 123.77 -33.89 3 0 32.11-999 ?-999 ?-999 ? O3 B3P A 371 mILE^A 232 -65.29 120.52 -35.23 -64.78 120.92 -35.99 -64.00 118.88 -33.92 -62.85 118.98 -34.37 -65.21 119.11 -34.84 -65.08 118.18 -36.05 3 0 30.66-999 ?-999 ?-999 ? O3 B3P A 371 mGLU^A 233 -64.26 118.58 -32.65 -65.24 118.57 -32.44 -62.39 117.11 -32.14 -62.96 116.07 -32.39 -63.21 118.30 -31.67 -63.79 117.96 -30.30 2 0 26.86-999 ?-999 ?-999 ? O3 B3P A 371 mILE^A 234 -61.09 117.29 -32.28 -60.80 118.24 -32.16 -59.14 116.15 -31.45 -58.69 117.19 -30.96 -60.16 116.20 -32.59 -59.40 116.41 -33.92 3 0 25.53-999 ?-999 ?-999 ? O3 B3P A 371 mLYS^A 235 -58.80 114.94 -31.04 -59.27 114.20 -31.53 -56.64 114.04 -30.62 -56.80 113.11 -31.40 -57.83 114.71 -29.98 -58.44 113.79 -28.90 2 0 22.02-999 ?-999 ?-999 ? O3 B3P A 371 mGLN^A 236 -55.44 114.51 -30.31 -55.44 115.35 -29.76 -53.22 113.72 -29.63 -53.14 114.56 -28.73 -54.23 113.83 -30.74 -53.61 114.51 -31.96 2 0 21.01-999 ?-999 ?-999 ? O3 B3P A 371 mTHR^A 237 -52.42 112.68 -29.72 -52.63 112.09 -30.50 -50.40 113.56 -28.76 -49.95 113.99 -29.79 -51.37 112.40 -28.78 -50.66 111.11 -29.17 2 0 18.28-999 ?-999 ?-999 ? O3 B3P A 371 mSER^A 238 -50.13 114.06 -27.57 -50.61 113.60 -26.82 -47.78 114.72 -27.53 -47.47 113.54 -27.47 -49.22 115.18 -27.35 -49.38 115.67 -25.90 2 0 16.25-999 ?-999 ?-999 ? O3 B3P A 371 mLEU^A 239 -46.89 115.68 -27.74 -47.27 116.58 -27.94 -45.05 115.36 -26.21 -43.96 114.91 -25.92 -45.47 115.40 -27.68 -44.67 116.46 -28.44 3 0 16.25-999 ?-999 ?-999 ? O3 B3P A 371 mTYR^A 240 -45.91 115.81 -25.31 -46.82 116.01 -25.67 -46.05 114.79 -23.13 -47.15 114.28 -23.39 -45.57 116.00 -23.91 -46.23 117.29 -23.36 3 0 12.54-999 ?-999 ?-999 ? O3 B3P A 371 mGLY^A 241 -45.23 114.35 -22.17 -44.32 114.76 -22.18 -44.69 112.99 -20.15 -43.49 113.28 -20.28 -45.68 113.33 -21.22-999.99-999.99-999.99 1 0 9.84-999 ?-999 ?-999 ? O3 B3P A 371 mLEU.A 242 -45.18 112.35 -19.08 -46.13 112.07 -19.17 -43.61 110.79 -18.06 -44.18 109.72 -17.94 -44.38 112.08 -17.90 -45.24 111.98 -16.65 3 0 -6.76-999 ?-999 ?-999 ? C11 B3P A 371s mGLY.A 243 -42.31 110.92 -18.25 -41.99 111.86 -18.32 -40.92 109.58 -19.79 -41.46 110.17 -20.75 -41.44 109.79 -18.36-999.99-999.99-999.99 1 0 8.59-999 ?-999 ?-999 ? C9 B3P A 371 mVAL^A 244 -39.87 108.79 -19.90 -39.46 108.54 -19.01 -39.19 106.83 -21.10 -39.04 106.30 -19.98 -39.35 108.32 -21.18 -38.01 108.98 -21.61 3 0 12.13-999 ?-999 ?-999 ? C9 B3P A 371 mMET^A 245 -39.27 106.16 -22.25 -39.69 106.69 -22.99 -37.51 104.91 -23.25 -37.44 105.71 -24.17 -38.78 104.78 -22.43 -39.80 103.92 -23.21 2 0 15.00-999 ?-999 ?-999 ? C9 B3P A 371 mALA^A 246 -36.53 104.05 -22.97 -36.75 103.37 -22.27 -34.64 102.71 -23.55 -35.21 101.81 -22.95 -35.26 104.10 -23.63 -34.37 105.15 -22.94 2 0 17.50-999 ?-999 ?-999 ? C9 B3P A 371 mGLU^A 247 -33.48 102.52 -24.14 -33.08 103.32 -24.59 -31.36 101.30 -23.99 -30.74 102.16 -24.61 -32.87 101.23 -24.09 -33.37 100.37 -25.27 2 0 20.47-999 ?-999 ?-999 ? C9 B3P A 371 mVAL^A 248 -30.75 100.30 -23.34 -31.37 99.71 -22.82 -28.89 99.55 -24.76 -29.69 98.91 -25.42 -29.28 100.12 -23.42 -28.75 99.16 -22.35 3 0 22.62-999 ?-999 ?-999 ? C9 B3P A 371 mASP^A 249 -27.62 99.71 -25.15 -27.05 100.25 -24.52 -27.12 97.63 -26.40 -27.40 97.01 -27.47 -27.10 99.15 -26.37 -25.63 99.58 -26.54 2 0 26.10-999 ?-999 ?-999 ? ZN ZN A 401 mASN^A 250 -26.78 97.04 -25.26 -26.51 97.66 -24.53 -27.36 95.24 -23.78 -27.11 95.90 -22.81 -26.81 95.59 -25.11 -25.43 94.99 -25.27 2 0 27.71-999 ?-999 ?-999 ? C9 B3P A 371 mGLN^A 251 -28.14 94.19 -23.78 -28.27 93.77 -24.68 -27.73 93.66 -21.48 -26.60 93.28 -21.68 -28.74 93.69 -22.62 -29.14 92.29 -22.94 2 0 26.70-999 ?-999 ?-999 ? C9 B3P A 371 mMET^A 252 -28.16 94.01 -20.28 -29.10 94.34 -20.26 -28.07 93.41 -17.93 -29.30 93.48 -17.97 -27.27 93.88 -19.12 -26.45 95.15 -18.83 2 0 25.99-999 ?-999 ?-999 ? C9 B3P A 371 mTHR^A 253 -27.40 92.86 -16.93 -26.41 92.74 -17.06 -28.65 93.69 -15.02 -28.12 94.81 -15.13 -28.11 92.46 -15.75 -27.29 91.55 -14.81 2 0 25.64-999 ?-999 ?-999 ? O1 B3P A 371 mLEU~A 254 -29.73 93.47 -14.26 -30.11 92.54 -14.32 -29.28 95.06 -12.45 -29.18 96.29 -12.33 -30.32 94.48 -13.42 -31.52 93.93 -12.65 3 0 22.32-999 ?-999 ?-999 ? O1 B3P A 371 mGLU~A 255 -28.52 94.21 -11.75 -28.72 93.24 -11.86 -26.40 95.56 -11.66 -25.95 96.59 -11.15 -27.47 94.77 -10.90 -26.78 93.76 -10.00 2 0 23.38-999 ?-999 ?-999 ? O1 B3P A 371 mASP~A 256 -25.95 95.07 -12.81 -26.35 94.19 -13.10 -25.50 97.20 -14.07 -24.79 98.20 -14.03 -24.96 95.82 -13.57 -24.42 95.00 -14.74 2 0 24.53-999 ?-999 ?-999 ? O1 B3P A 371 mPHE~A 257 -26.76 97.23 -14.50 -27.24 96.35 -14.51 -27.49 99.45 -13.77 -27.14 100.62 -13.90 -27.38 98.46 -14.94 -28.76 98.20 -15.57 3 0 21.32-999 ?-999 ?-999 ? O1 B3P A 371 mALA~A 258 -27.95 98.96 -12.63 -28.21 97.99 -12.67 -26.70 100.40 -11.06 -26.58 101.55 -10.77 -28.05 99.80 -11.43 -28.59 99.01 -10.27 2 0 19.29-999 ?-999 ?-999 ? O1 B3P A 371 mALA~A 259 -25.64 99.61 -11.10 -25.83 98.66 -11.34 -23.81 101.10 -11.83 -23.14 102.10 -11.52 -24.33 100.13 -10.81 -23.29 98.87 -10.74 2 0 21.84-999 ?-999 ?-999 ? O1 B3P A 371 mASP~A 260 -24.14 100.78 -13.08 -24.64 99.92 -13.20 -24.35 103.06 -13.93 -23.65 104.06 -13.99 -23.77 101.67 -14.16 -24.22 101.11 -15.48 2 0 21.86-999 ?-999 ?-999 ? ZN ZN A 401 mILE~A 261 -25.63 103.14 -13.65 -26.10 102.26 -13.57 -25.87 105.10 -12.15 -25.74 106.34 -12.09 -26.27 104.42 -13.50 -27.79 104.37 -13.82 3 0 18.10-999 ?-999 ?-999 ? ZN ZN A 401 mLYS~A 262 -25.59 104.31 -11.12 -25.79 103.34 -11.25 -23.80 105.65 -10.22 -23.59 106.79 -9.69 -25.04 104.85 -9.90 -24.72 103.74 -8.90 2 0 18.34-999 ?-999 ?-999 ? ZN ZN A 402 mSER~A 263 -22.91 105.04 -10.99 -23.17 104.12 -11.30 -21.89 106.90 -12.27 -21.37 107.96 -12.02 -21.67 105.68 -11.34 -20.74 104.65 -12.04 2 0 20.78-999 ?-999 ?-999 ? ZN ZN A 402 mLYS~A 264 -22.70 106.78 -13.31 -23.13 105.88 -13.40 -23.56 109.10 -13.57 -23.25 110.22 -13.90 -22.91 107.89 -14.23 -23.77 107.43 -15.42 2 0 18.96-999 ?-999 ?-999 ? ZN ZN A 401 mLEU~A 265 -24.46 108.87 -12.61 -24.63 107.91 -12.43 -24.45 110.42 -10.62 -24.99 111.30 -9.93 -25.11 110.00 -11.92 -26.57 109.66 -11.66 3 0 15.86-999 ?-999 ?-999 ? ZN ZN A 401 mASN.A 266 -23.29 109.83 -10.30 -22.96 109.18 -10.98 -23.47 109.96 -7.83 -23.52 110.82 -7.03 -22.58 110.13 -9.06 -22.05 111.57 -9.08 2 0 17.74-999 ?-999 ?-999 ? ZN ZN A 402 mILE.A 267 -24.18 108.83 -7.72 -23.99 108.17 -8.44 -24.42 107.86 -5.49 -23.75 106.90 -5.76 -25.14 108.61 -6.62 -26.35 107.79 -7.10 3 0 16.07-999 ?-999 ?-999 ? ZN ZN A 402 mPRO.A 268 -24.56 108.30 -4.25 -25.15 109.10 -4.13 -24.31 106.21 -2.89 -23.54 105.38 -2.47 -23.85 107.61 -3.17 -24.15 108.52 -1.94 3 0 18.25-999 ?-999 ?-999 ? ZN ZN A 402 mSER.A 269 -25.58 105.96 -3.15 -26.03 106.73 -3.60 -27.44 104.57 -3.79 -28.23 105.48 -3.95 -26.28 104.71 -2.85 -26.81 104.72 -1.43 2 0 18.10-999 ?-999 ?-999 ? ZN ZN A 402 mVAL.A 270 -27.52 103.42 -4.45 -26.70 102.87 -4.37 -29.23 101.72 -4.66 -28.49 100.87 -4.06 -28.70 103.02 -5.20 -28.26 102.94 -6.69 3 0 17.09-999 ?-999 ?-999 ? O1 B3P A 371 mARG^A 271 -30.52 101.52 -4.86 -30.99 102.29 -5.28 -32.10 99.78 -5.57 -32.73 100.59 -6.25 -31.17 100.26 -4.47 -31.93 100.38 -3.15 2 0 17.45-999 ?-999 ?-999 ? O1 B3P A 371 mPHE^A 272 -32.16 98.46 -5.77 -31.59 97.91 -5.16 -33.91 96.77 -6.24 -33.65 96.17 -5.21 -33.01 97.90 -6.78 -32.22 97.45 -8.02 3 0 17.85-999 ?-999 ?-999 ? O1 B3P A 371 mVAL^A 273 -34.97 96.54 -6.97 -35.01 97.14 -7.77 -36.03 94.58 -7.86 -36.30 95.00 -9.00 -35.98 95.52 -6.67 -37.35 96.12 -6.42 3 0 17.82-999 ?-999 ?-999 ? ZN ZN B 401 mGLY.A 274 -35.74 93.32 -7.61 -35.50 93.14 -6.65 -34.50 91.48 -8.55 -33.55 91.92 -7.92 -35.77 92.29 -8.66-999.99-999.99-999.99 1 0 20.46-999 ?-999 ?-999 ? ZN ZN B 401 mGLU.A 275 -34.46 90.32 -9.17 -35.29 90.11 -9.69 -32.12 90.13 -9.74 -32.30 90.77 -10.77 -33.29 89.43 -9.09 -33.54 88.11 -9.84 2 0 22.94-999 ?-999 ?-999 ? ZN ZN B 401 mSER.A 276 -30.93 89.99 -9.18 -30.87 89.35 -8.41 -29.43 90.32 -11.10 -28.90 91.12 -11.84 -29.81 90.73 -9.66 -28.62 90.55 -8.69 2 0 24.72-999 ?-999 ?-999 ? ZN ZN B 401 mASN.A 277 -29.72 89.07 -11.47 -30.14 88.53 -10.75 -30.61 88.73 -13.80 -30.56 88.22 -14.89 -29.44 88.55 -12.79 -29.05 87.05 -12.69 2 0 27.79-999 ?-999 ?-999 ? O1 B3P A 371 mGLN.A 278 -31.67 89.46 -13.45 -31.71 89.70 -12.48 -32.03 90.59 -15.61 -31.11 91.40 -15.42 -32.69 89.84 -14.46 -33.74 90.82 -13.89 2 0 25.49-999 ?-999 ?-999 ? C9 B3P A 371 mLYS^A 279 -32.48 90.32 -16.81 -33.24 89.67 -16.82 -32.72 92.15 -18.37 -33.96 92.09 -18.45 -31.90 90.93 -18.00 -31.84 89.92 -19.13 2 0 25.65-999 ?-999 ?-999 ? C9 B3P A 371 mILE^A 280 -32.02 93.25 -18.57 -31.04 93.09 -18.52 -32.17 95.03 -20.25 -30.97 95.03 -20.63 -32.58 94.57 -18.84 -31.99 95.59 -17.84 3 0 22.58-999 ?-999 ?-999 ? C9 B3P A 371 mLYS^A 281 -33.17 95.43 -21.03 -34.08 95.24 -20.64 -33.72 97.41 -22.42 -33.17 98.45 -22.79 -32.94 96.10 -22.35 -33.33 95.14 -23.49 2 0 22.80-999 ?-999 ?-999 ? C9 B3P A 371 mARG^A 282 -35.01 97.36 -22.07 -35.33 96.46 -21.76 -36.11 99.07 -20.73 -36.41 98.34 -19.78 -35.88 98.50 -22.14 -37.22 98.14 -22.79 2 0 19.77-999 ?-999 ?-999 ? C9 B3P A 371 mILE^A 283 -35.95 100.37 -20.62 -35.80 100.82 -21.50 -36.96 102.25 -19.40 -36.89 103.09 -20.30 -35.99 101.08 -19.35 -34.58 101.67 -19.03 3 0 16.26-999 ?-999 ?-999 ? C9 B3P A 371 mALA^A 284 -37.81 102.33 -18.38 -37.78 101.54 -17.76 -38.21 104.29 -17.02 -37.81 103.76 -15.97 -38.71 103.48 -18.18 -40.15 103.01 -17.91 2 0 12.84-999 ?-999 ?-999 ? C9 B3P A 371 mILE^A 285 -38.20 105.60 -17.22 -38.58 105.88 -18.10 -38.66 107.67 -15.95 -39.07 108.37 -16.87 -37.67 106.53 -16.24 -36.38 107.23 -16.76 3 0 9.98-999 ?-999 ?-999 ? C9 B3P A 371 mILE.A 286 -39.00 107.86 -14.67 -38.74 107.10 -14.08 -38.87 109.60 -13.03 -38.83 109.04 -11.92 -39.68 109.07 -14.17 -41.11 108.86 -13.71 3 0 6.14-999 ?-999 ?-999 ? C9 B3P A 371 mGLY.A 287 -38.16 110.69 -13.31 -38.23 111.03 -14.24 -38.20 111.86 -11.15 -39.28 112.39 -11.40 -37.37 111.28 -12.26-999.99-999.99-999.99 1 0 -5.56-999 ?-999 ?-999 ? O1 B3P A 371s mGLY.A 288 -37.66 111.83 -9.92 -36.77 111.37 -9.87 -39.02 111.32 -7.95 -38.37 110.53 -7.29 -38.32 112.40 -8.76-999.99-999.99-999.99 1 0 -3.58-999 ?-999 ?-999 ? O1 B3P A 371s mSER.A 289 -40.35 111.29 -8.01 -40.74 112.00 -8.61 -42.25 109.83 -8.19 -43.31 110.44 -8.26 -41.15 110.32 -7.28 -41.75 110.96 -6.01 2 0 -3.67-999 ?-999 ?-999 ? O1 B3P A 371s mGLY.A 290 -41.93 108.79 -8.96 -41.04 108.38 -8.77 -43.54 107.02 -9.63 -44.21 106.49 -10.48 -42.81 108.30 -9.98-999.99-999.99-999.99 1 0 4.67-999 ?-999 ?-999 ? C9 B3P A 371 mILE.A 291 -43.42 106.53 -8.40 -42.78 107.03 -7.82 -45.67 105.62 -8.20 -46.14 106.69 -7.92 -44.19 105.36 -7.99 -43.83 104.90 -6.54 3 0 8.12-999 ?-999 ?-999 ? C9 B3P A 371 mGLY.A 292 -46.38 104.65 -8.76 -45.86 103.80 -8.79 -47.76 104.46 -10.79 -48.78 104.04 -11.35 -47.75 104.79 -9.29-999.99-999.99-999.99 1 0 9.44-999 ?-999 ?-999 ? C11 B3P A 371 mTYR~A 293 -46.62 104.65 -11.45 -45.84 104.94 -10.89 -45.79 103.17 -13.26 -45.69 102.86 -14.46 -46.52 104.46 -12.88 -45.78 105.63 -13.50 3 0 9.37-999 ?-999 ?-999 ? C11 B3P A 371 mGLU~A 294 -45.31 102.40 -12.27 -45.58 102.66 -11.34 -45.18 100.11 -13.32 -44.57 99.46 -14.18 -44.45 101.25 -12.59 -43.71 100.69 -11.39 2 0 12.01-999 ?-999 ?-999 ? C9 B3P A 371 mTYR~A 295 -46.45 99.86 -12.97 -46.81 100.45 -12.24 -47.54 99.12 -15.08 -47.44 98.27 -15.99 -47.23 98.77 -13.61 -48.52 98.40 -12.81 3 0 15.14-999 ?-999 ?-999 ? C11 B3P A 371 mGLN~A 296 -47.90 100.37 -15.29 -47.98 100.90 -14.45 -46.85 100.86 -17.50 -46.88 100.48 -18.69 -48.14 100.89 -16.64 -48.76 102.30 -16.50 2 0 14.11-999 ?-999 ?-999 ? C11 B3P A 371 mALA~A 297 -45.70 101.17 -16.89 -45.79 101.44 -15.93 -44.14 99.68 -18.12 -43.74 99.49 -19.26 -44.43 101.11 -17.62 -43.26 101.65 -16.76 2 0 13.93-999 ?-999 ?-999 ? C9 B3P A 371 mVAL~A 298 -44.36 98.68 -17.27 -44.66 98.96 -16.36 -45.12 96.96 -18.82 -44.72 96.30 -19.79 -44.17 97.31 -17.68 -44.29 96.32 -16.50 3 0 17.27-999 ?-999 ?-999 ? C9 B3P A 371 mGLN~A 299 -46.36 97.41 -18.74 -46.59 97.89 -17.89 -46.84 97.93 -21.11 -47.16 97.49 -22.21 -47.28 97.19 -19.84 -48.69 97.60 -19.43 2 0 18.59-999 ?-999 ?-999 ? C11 B3P A 371 mGLN~A 300 -46.08 99.02 -20.97 -45.92 99.29 -20.02 -44.25 99.04 -22.68 -43.63 99.53 -23.58 -45.55 99.73 -22.14 -45.32 101.22 -21.79 2 0 17.56-999 ?-999 ?-999 ? C11 B3P A 371 mGLY.A 301 -43.83 97.92 -22.11 -44.44 97.59 -21.38 -41.36 97.31 -21.61 -40.39 96.63 -21.88 -42.60 97.23 -22.51-999.99-999.99-999.99 1 0 19.79-999 ?-999 ?-999 ? C9 B3P A 371 mALA.A 302 -41.38 98.10 -20.54 -42.25 98.55 -20.36 -39.78 96.97 -19.02 -40.64 96.17 -18.57 -40.20 98.27 -19.71 -40.46 99.36 -18.67 2 0 17.51-999 ?-999 ?-999 ? C9 B3P A 371 mASP.A 303 -38.46 96.74 -18.97 -37.90 97.36 -19.52 -37.72 96.16 -16.70 -37.66 95.37 -15.77 -37.92 95.65 -18.16 -36.59 95.18 -18.70 2 0 19.51-999 ?-999 ?-999 ? C9 B3P A 371 mVAL^A 304 -37.60 97.47 -16.53 -37.73 98.00 -17.36 -37.86 99.49 -15.21 -37.88 100.18 -16.25 -37.31 98.07 -15.23 -35.81 98.04 -14.87 3 0 16.52-999 ?-999 ?-999 ? C9 B3P A 371 mPHE^A 305 -38.42 99.87 -14.06 -38.50 99.15 -13.37 -37.89 101.95 -12.86 -37.65 101.49 -11.74 -38.86 101.23 -13.82 -40.28 101.22 -13.27 3 0 12.77-999 ?-999 ?-999 ? C9 B3P A 371 mVAL^A 306 -37.35 103.07 -13.32 -37.72 103.34 -14.21 -36.99 105.15 -12.10 -37.62 105.89 -12.88 -36.35 103.85 -12.62 -35.14 104.17 -13.54 3 0 11.29-999 ?-999 ?-999 ? O1 B3P A 371 mTHR^A 307 -36.91 105.38 -10.79 -36.44 104.67 -10.27 -36.78 106.85 -8.85 -35.76 106.21 -8.54 -37.49 106.57 -10.19 -39.03 106.48 -10.02 2 0 7.94-999 ?-999 ?-999 ? O1 B3P A 371 mGLY.A 308 -37.29 107.79 -8.07 -38.04 108.31 -8.49 -37.84 107.82 -5.65 -39.06 107.64 -5.96 -36.78 108.02 -6.71-999.99-999.99-999.99 1 0 7.69-999 ?-999 ?-999 ? O1 B3P A 371 mASP.A 309 -37.42 107.94 -4.40 -36.43 107.99 -4.33 -39.21 106.73 -3.19 -40.39 106.80 -2.87 -38.35 108.01 -3.24 -39.32 109.22 -3.35 2 0 8.78-999 ?-999 ?-999 ? O1 B3P A 371 mILE.A 310 -38.61 105.57 -3.47 -37.65 105.63 -3.73 -39.45 103.86 -1.93 -38.44 103.82 -1.22 -39.36 104.33 -3.39 -38.77 103.22 -4.28 3 0 11.03-999 ?-999 ?-999 ? O1 B3P A 371 mLYS~A 311 -40.67 103.54 -1.49 -41.41 103.65 -2.15 -41.10 101.57 -0.08 -41.37 100.93 -1.10 -40.88 103.07 -0.16 -42.06 103.80 0.45 2 0 10.49-999 ?-999 ?-999 ? ZN ZN B 401 mHIS~A 312 -40.93 101.04 1.14 -40.81 101.72 1.86 -42.10 98.86 0.77 -41.91 97.88 0.09 -40.93 99.59 1.39 -40.88 99.31 2.88 3 0 8.15-999 ?-999 ?-999 ? ZN ZN B 401 mHIS~A 313 -43.32 99.33 1.02 -43.34 100.22 1.48 -44.70 98.61 -0.87 -45.14 97.65 -1.44 -44.51 98.57 0.64 -45.79 99.00 1.41 3 0 8.27-999 ?-999 ?-999 ? ZN ZN B 401 mASP~A 314 -44.42 99.74 -1.48 -44.22 100.51 -0.87 -43.35 98.90 -3.58 -43.63 98.26 -4.59 -44.42 99.79 -2.93 -44.29 101.20 -3.40 2 0 10.83-999 ?-999 ?-999 ? O4 B3P B 371 mALA~A 315 -42.17 98.81 -2.98 -42.07 99.38 -2.17 -41.56 96.45 -3.30 -41.28 95.60 -4.15 -41.15 97.94 -3.49 -39.77 98.25 -2.75 2 0 12.74-999 ?-999 ?-999 ? ZN ZN B 401 mLEU~A 316 -42.15 96.13 -2.15 -42.29 96.90 -1.53 -43.65 94.27 -2.81 -43.56 93.19 -3.36 -42.57 94.75 -1.85 -43.05 94.65 -0.40 3 0 11.57-999 ?-999 ?-999 ? ZN ZN B 401 mASP~A 317 -44.68 95.11 -3.03 -44.68 95.90 -2.42 -45.08 94.61 -5.45 -45.39 93.58 -6.11 -45.69 94.88 -4.07 -46.62 96.07 -4.20 2 0 13.27-999 ?-999 ?-999 ? O4 B3P B 371 mALA~A 318 -44.19 95.50 -5.89 -44.04 96.29 -5.28 -42.76 93.96 -7.21 -42.88 93.22 -8.18 -43.50 95.30 -7.16 -42.53 96.46 -7.46 2 0 16.24-999 ?-999 ?-999 ? O4 B3P B 371 mLYS~A 319 -41.99 93.66 -6.16 -41.97 94.36 -5.44 -42.17 91.19 -6.24 -41.89 90.32 -7.05 -41.25 92.42 -6.09 -40.44 92.30 -4.77 2 0 16.52-999 ?-999 ?-999 ? ZN ZN B 401 mILE~A 320 -43.29 91.19 -5.53 -43.44 92.03 -4.99 -44.88 89.98 -6.89 -45.19 88.87 -7.32 -44.21 90.07 -5.54 -45.24 90.16 -4.40 3 0 16.87-999 ?-999 ?-999 ? ZN ZN B 401 mHIS~A 321 -45.11 91.11 -7.57 -44.87 91.95 -7.10 -44.66 90.86 -10.07 -45.05 90.86 -11.22 -45.67 91.05 -8.93 -46.51 92.28 -9.21 3 0 19.10-999 ?-999 ?-999 ? O4 B3P B 371 mGLY~A 322 -43.38 90.75 -9.78 -43.18 90.76 -8.80 -41.99 91.90 -11.54 -41.43 91.85 -12.63 -42.36 90.61 -10.82-999.99-999.99-999.99 1 0 21.42-999 ?-999 ?-999 ? ZN ZN B 401 mVAL.A 323 -42.29 93.06 -10.93 -42.74 92.96 -10.04 -40.65 94.82 -10.99 -40.47 94.93 -9.77 -41.97 94.34 -11.54 -43.08 95.35 -11.31 3 0 18.65-999 ?-999 ?-999 ? C9 B3P A 371 mASN.A 324 -39.69 95.06 -11.87 -39.94 94.93 -12.83 -38.29 97.00 -11.30 -38.84 97.74 -12.11 -38.37 95.47 -11.44 -37.25 95.00 -12.34 2 0 18.03-999 ?-999 ?-999 ? C9 B3P A 371 mLEU^A 325 -37.62 97.43 -10.26 -37.25 96.69 -9.69 -35.99 99.18 -9.66 -35.21 98.34 -9.13 -37.42 98.85 -9.96 -38.20 99.27 -8.69 3 0 15.03-999 ?-999 ?-999 ? O1 B3P A 371 mILE^A 326 -35.67 100.44 -9.86 -36.34 100.96 -10.40 -34.78 102.36 -8.73 -35.45 103.19 -9.35 -34.45 101.00 -9.34 -33.37 101.17 -10.41 3 0 14.24-999 ?-999 ?-999 ? O1 B3P A 371 mASP^A 327 -34.34 102.54 -7.49 -33.95 101.72 -7.07 -33.06 104.50 -6.97 -32.08 104.13 -6.30 -34.41 103.82 -6.80 -34.76 103.64 -5.32 2 0 12.22-999 ?-999 ?-999 ? O1 B3P A 371 mILE.A 328 -33.03 105.50 -7.86 -33.88 105.62 -8.39 -31.88 107.63 -7.18 -30.97 108.48 -7.30 -31.87 106.35 -8.06 -31.69 106.78 -9.55 3 0 12.11-999 ?-999 ?-999 ? O1 B3P A 371 mASN~A 329 -32.88 107.70 -6.29 -33.45 106.88 -6.31 -33.82 109.98 -6.16 -33.54 110.23 -7.34 -33.16 108.83 -5.39 -31.94 109.24 -4.59 2 0 9.98-999 ?-999 ?-999 ? ZN ZN A 402 mHIS~A 330 -34.76 110.62 -5.49 -34.98 110.20 -4.61 -34.33 112.84 -6.37 -34.44 113.51 -7.38 -35.40 111.83 -6.00 -36.29 112.36 -4.90 3 0 -6.21-999 ?-999 ?-999 ? ZN ZN A 402s mTYR~A 331 -33.29 112.96 -5.54 -33.29 112.31 -4.77 -31.58 113.88 -7.16 -31.07 114.90 -7.64 -32.25 113.96 -5.77 -31.17 113.95 -4.66 3 0 7.61-999 ?-999 ?-999 ? ZN ZN A 402 mSER~A 332 -31.63 112.71 -7.82 -32.05 111.95 -7.32 -31.77 113.50 -10.20 -31.19 113.72 -11.24 -31.12 112.57 -9.16 -31.13 111.09 -9.61 2 0 8.98-999 ?-999 ?-999 ? ZN ZN A 402 mGLU~A 333 -32.89 114.16 -9.89 -33.37 113.84 -9.07 -32.34 116.40 -10.87 -32.53 117.27 -11.71 -33.34 115.25 -10.74 -34.68 115.78 -10.33 2 0 6.38-999 ?-999 ?-999 ? ZN ZN A 401s mTYR~A 334 -31.28 116.40 -10.06 -31.23 115.62 -9.45 -29.69 117.62 -11.50 -29.18 118.69 -11.84 -30.30 117.49 -10.11 -29.18 117.33 -9.06 3 0 9.17-999 ?-999 ?-999 ? ZN ZN A 402 mVAL~A 335 -29.72 116.53 -12.31 -30.07 115.70 -11.89 -29.88 117.74 -14.51 -29.32 118.17 -15.52 -29.25 116.61 -13.70 -29.41 115.28 -14.50 3 0 10.55-999 ?-999 ?-999 ? ZN ZN A 401 mMET~A 336 -31.02 118.24 -14.08 -31.37 117.83 -13.24 -30.94 120.64 -14.72 -31.18 121.56 -15.50 -31.65 119.32 -14.86 -33.16 119.44 -14.62 2 0 9.05-999 ?-999 ?-999 ? ZN ZN A 401 mLYS~A 337 -30.06 120.78 -13.74 -29.97 120.01 -13.12 -28.44 122.25 -14.92 -28.50 123.28 -15.64 -29.31 122.02 -13.66 -28.46 122.04 -12.38 2 0 11.83-999 ?-999 ?-999 ? ZN ZN A 401 mGLU~A 338 -27.58 121.30 -15.19 -27.58 120.55 -14.53 -27.58 121.18 -17.60 -27.37 121.81 -18.60 -26.73 121.40 -16.38 -25.65 120.32 -16.35 2 0 14.57-999 ?-999 ?-999 ? ZN ZN A 401 mGLY~A 339 -28.58 120.30 -17.50 -28.68 119.84 -16.62 -30.14 121.35 -19.08 -30.25 121.67 -20.27 -29.42 120.06 -18.66-999.99-999.99-999.99 1 0 12.94-999 ?-999 ?-999 ? ZN ZN A 401 mLEU~A 340 -30.70 122.06 -18.09 -30.57 121.69 -17.17 -30.49 124.43 -18.84 -30.85 125.19 -19.73 -31.43 123.30 -18.39 -32.34 123.74 -17.24 3 0 12.65-999 ?-999 ?-999 ? ZN ZN A 401 mLYS~A 341 -29.28 124.49 -18.28 -29.10 123.80 -17.57 -28.00 125.30 -20.17 -27.90 126.27 -20.89 -28.31 125.48 -18.68 -27.02 125.39 -17.85 2 0 16.08-999 ?-999 ?-999 ? ZN ZN A 401 mTHR~A 342 -27.83 124.06 -20.61 -27.95 123.34 -19.93 -28.66 124.23 -22.93 -28.47 124.92 -23.94 -27.50 123.81 -22.01 -27.15 122.35 -22.26 2 0 17.61-999 ?-999 ?-999 ? ZN ZN A 401 mLEU~A 343 -29.86 123.85 -22.54 -29.88 123.29 -21.71 -31.17 125.76 -23.46 -31.40 126.27 -24.57 -31.04 124.25 -23.32 -32.32 123.75 -22.68 3 0 16.53-999 ?-999 ?-999 ? ZN ZN A 401 mLEU~A 344 -31.04 126.44 -22.33 -30.82 125.89 -21.53 -30.10 128.63 -23.11 -30.38 129.60 -23.80 -31.22 127.90 -22.32 -31.29 128.43 -20.90 3 0 17.80-999 ?-999 ?-999 ? ZN ZN A 401 mMET~A 345 -28.86 128.15 -23.00 -28.75 127.42 -22.33 -28.08 128.58 -25.32 -27.84 129.54 -26.08 -27.78 128.69 -23.82 -26.45 128.07 -23.45 2 0 20.97-999 ?-999 ?-999 ? ZN ZN A 401 mASN~A 346 -28.67 127.45 -25.71 -28.84 126.80 -24.97 -30.14 128.14 -27.56 -30.05 128.74 -28.62 -29.01 127.22 -27.11 -29.40 125.75 -27.37 2 0 21.70-999 ?-999 ?-999 ? ZN ZN A 401 mTRP~A 347 -31.19 128.23 -26.75 -31.14 127.65 -25.94 -31.88 130.57 -27.16 -32.29 131.26 -28.09 -32.32 129.11 -27.05 -33.41 129.03 -25.99 3 0 21.32-999 ?-999 ?-999 ? ZN ZN A 401 mPHE~A 348 -31.06 131.00 -26.21 -30.89 130.33 -25.49 -29.63 132.53 -27.47 -29.69 133.60 -28.08 -30.45 132.32 -26.21 -29.54 132.55 -24.99 3 0 23.45-999 ?-999 ?-999 ? ZN ZN A 401 mASN~A 349 -28.87 131.52 -27.86 -28.89 130.73 -27.25 -28.96 131.85 -30.34 -28.65 132.66 -31.18 -28.08 131.62 -29.10 -27.22 130.38 -29.31 2 0 25.91-999 ?-999 ?-999 ? ZN ZN A 401 mILE~A 350 -30.08 131.13 -30.44 -30.19 130.46 -29.70 -31.54 132.74 -31.57 -31.57 133.34 -32.61 -31.03 131.32 -31.54 -32.25 130.32 -31.49 3 0 26.37-999 ?-999 ?-999 ? ZN ZN A 401 mGLU~A 351 -31.90 133.31 -30.42 -31.77 132.73 -29.61 -31.33 135.75 -30.26 -31.64 136.90 -30.04 -32.43 134.66 -30.38 -33.42 134.81 -29.22 2 0 27.17-999 ?-999 ?-999 ? ZN ZN A 401 mLYS.A 352 -30.06 135.38 -30.37 -29.94 134.41 -30.58 -28.99 137.08 -28.89 -28.73 138.28 -28.88 -28.95 136.32 -30.20 -28.90 137.32 -31.38 2 0 29.25-999 ?-999 ?-999 ? ZN ZN A 401 mILE.A 353 -29.31 136.40 -27.80 -29.55 135.45 -27.98 -27.97 136.71 -25.80 -27.60 135.54 -25.61 -29.30 137.00 -26.48 -30.43 136.41 -25.59 3 0 27.39-999 ?-999 ?-999 ? ZN ZN A 401 mASN.A 354 -27.26 137.75 -25.41 -27.68 138.64 -25.62 -26.09 137.71 -23.25 -25.73 138.75 -22.68 -25.96 137.57 -24.74 -24.99 138.62 -25.22 2 0 28.36-999 ?-999 ?-999 ? ZN ZN A 401 mILE.A 355 -26.64 136.67 -22.63 -26.91 135.94 -23.25 -26.16 135.35 -20.68 -26.36 134.29 -21.28 -26.82 136.63 -21.18 -28.31 136.69 -20.82 3 0 25.70-999 ?-999 ?-999 ? ZN ZN A 401 mASP.A 356 -25.36 135.46 -19.61 -25.26 136.40 -19.30 -25.71 133.35 -18.30 -26.63 133.82 -17.62 -24.68 134.29 -18.98 -23.71 134.73 -17.85 2 0 24.35-999 ?-999 ?-999 ? ZN ZN A 401 mVAL^A 357 -25.53 132.05 -18.45 -24.81 131.82 -19.11 -25.31 130.10 -17.11 -24.36 129.70 -17.77 -26.30 131.05 -17.74 -27.21 130.23 -18.71 3 0 20.63-999 ?-999 ?-999 ? ZN ZN A 401 mGLU^A 358 -25.51 129.76 -15.84 -26.28 130.23 -15.41 -25.55 127.86 -14.34 -26.57 128.30 -13.79 -24.67 128.79 -15.14 -23.74 129.45 -14.14 2 0 19.63-999 ?-999 ?-999 ? ZN ZN A 401 mALA^A 359 -25.11 126.61 -14.22 -24.30 126.42 -14.78 -25.19 125.79 -11.98 -24.01 125.85 -11.80 -25.72 125.60 -13.38 -25.38 124.21 -13.88 2 0 16.64-999 ?-999 ?-999 ? ZN ZN A 401 mSER.A 360 -26.06 125.94 -11.00 -27.02 126.02 -11.29 -24.77 124.75 -9.30 -25.17 123.60 -9.64 -25.64 125.99 -9.62 -26.83 126.00 -8.68 2 0 16.64-999 ?-999 ?-999 ? ZN ZN A 402 mTHR.A 361 -23.64 124.99 -8.65 -23.48 125.95 -8.42 -22.98 123.35 -6.91 -22.36 122.39 -6.50 -22.72 123.89 -8.30 -21.26 124.40 -8.30 2 0 18.04-999 ?-999 ?-999 ? ZN ZN A 402 mILE.A 362 -23.94 123.91 -6.18 -24.47 124.62 -6.65 -24.94 122.16 -4.81 -25.97 122.00 -5.47 -24.18 123.50 -4.83 -24.92 124.58 -4.05 3 0 16.83-999 ?-999 ?-999 ? ZN ZN A 402 mASN.A 363 -24.42 121.20 -4.05 -23.52 121.40 -3.67 -26.16 120.20 -2.70 -25.78 120.39 -1.56 -25.14 119.96 -3.81 -24.18 118.84 -3.44 2 0 15.01-999 ?-999 ?-999 ? ZN ZN A 402 mTHR.A 364 -27.44 120.23 -3.07 -27.60 119.97 -4.03 -29.28 119.39 -1.61 -30.33 119.54 -0.98 -28.52 120.61 -2.19 -29.51 121.55 -2.91 2 0 12.76-999 ?-999 ?-999 ? ZN ZN A 402 mASP.A 365 -28.74 118.18 -1.78 -27.88 118.17 -2.30 -29.45 117.16 0.28 -28.44 117.32 0.90 -29.38 117.00 -1.24 -28.60 115.73 -1.61 2 0 11.83-999 ?-999 ?-999 ? ZN ZN A 402 mPRO.A 366 -30.64 117.09 0.90 -31.43 117.04 0.29 -30.07 115.85 3.04 -29.72 115.86 4.19 -30.69 117.10 2.39 -32.18 117.18 2.66 3 0 13.33-999 ?-999 ?-999 ? ZN ZN A 402 mPHE.A 367 -29.99 114.76 2.29 -30.35 114.86 1.36 -27.92 113.49 2.59 -27.37 113.83 1.52 -29.42 113.54 2.74 -29.97 112.34 1.98 3 0 14.70-999 ?-999 ?-999 ? ZN ZN A 402 mGLN^A 368 -27.28 112.98 3.64 -27.84 112.96 4.47 -25.89 110.99 3.87 -26.48 110.51 4.86 -25.90 112.51 3.60 -25.09 113.27 4.66 2 0 17.96-999 ?-999 ?-999 ? ZN ZN A 402 mTYR^A 369 -25.17 110.26 3.03 -24.63 110.78 2.37 -23.92 108.26 3.68 -22.83 108.79 3.55 -25.16 108.84 3.03 -25.20 108.29 1.60 3 0 19.29-999 ?-999 ?-999 ? ZN ZN A 402 mILE^A 370 -24.09 107.17 4.41 -25.04 106.86 4.49 -23.14 105.00 4.94 -24.17 104.44 4.55 -23.00 106.50 5.03 -22.81 106.90 6.51 3 0 22.53-999 ?-999 ?-999 ? O1 B3P B 371 mALA.B 1 -57.04 64.20 29.42 -57.10 64.06 30.41 -56.42 65.81 27.90 -56.64 66.64 28.78 -56.95 64.40 27.96 -58.29 64.26 27.25 2 0 39.83-999 ?-999 ?-999 ? ZN ZN B 402 mMET.B 2 -55.71 66.07 26.82 -55.94 65.56 25.99 -55.49 68.32 26.58 -56.70 68.29 26.28 -54.70 67.01 26.85 -53.65 66.59 25.79 2 0 36.45-999 ?-999 ?-999 ? ZN ZN B 402 mASP.B 3 -54.87 69.45 26.81 -54.05 69.37 27.37 -54.24 71.27 25.44 -53.61 72.20 25.86 -55.37 70.69 26.26 -55.84 71.65 27.35 2 0 33.25-999 ?-999 ?-999 ? ZN ZN B 402 mPRO.B 4 -53.98 70.70 24.27 -54.52 69.88 24.06 -53.39 72.67 23.02 -54.56 72.94 22.96 -52.97 71.26 23.40 -52.99 70.32 22.17 3 0 30.92-999 ?-999 ?-999 ? ZN ZN B 402 mMET.B 5 -52.46 73.57 22.79 -51.52 73.23 22.86 -53.44 75.01 21.05 -52.84 74.54 20.08 -52.81 74.93 22.46 -51.57 75.83 22.56 2 0 27.28-999 ?-999 ?-999 ? ZN ZN B 402 mLYS~B 6 -54.64 75.59 20.97 -55.07 75.79 21.85 -54.99 77.35 19.26 -54.58 78.17 20.08 -55.26 75.90 19.68 -56.79 75.67 19.73 2 0 26.41-999 ?-999 ?-999 ? ZN ZN B 402 mILE~B 7 -55.24 77.69 18.00 -55.54 76.94 17.41 -55.84 80.02 18.49 -55.35 81.08 18.84 -55.07 79.07 17.56 -55.46 79.28 16.08 3 0 23.06-999 ?-999 ?-999 ? ZN ZN B 402 mALA~B 8 -57.06 79.66 18.89 -57.37 78.78 18.53 -57.12 80.78 21.12 -57.12 81.91 21.59 -57.87 80.48 19.79 -59.24 79.81 20.06 2 0 23.94-999 ?-999 ?-999 ? ZN ZN B 402 mASP~B 9 -56.46 79.76 21.68 -56.56 78.90 21.18 -54.46 80.84 22.64 -54.15 81.72 23.46 -55.65 79.91 22.91 -55.13 78.56 23.44 2 0 24.41-999 ?-999 ?-999 ? ZN ZN B 402 mLEU~B 10 -53.80 80.67 21.51 -54.12 79.93 20.92 -53.15 82.99 21.09 -52.50 83.93 21.58 -52.68 81.53 21.21 -51.98 81.11 19.93 3 0 21.12-999 ?-999 ?-999 ? ZN ZN B 402 mMET~B 11 -54.27 83.21 20.40 -54.70 82.39 20.01 -55.07 85.25 21.58 -54.78 86.46 21.76 -54.80 84.56 20.24 -56.07 84.54 19.40 2 0 19.33-999 ?-999 ?-999 ? ZN ZN B 402 mTHR~B 12 -55.66 84.51 22.52 -55.90 83.58 22.23 -54.60 85.46 24.55 -54.52 86.51 25.18 -55.90 85.04 23.87 -56.65 84.01 24.75 2 0 21.31-999 ?-999 ?-999 ? ZN ZN B 402 mLEU~B 13 -53.56 84.65 24.41 -53.74 83.83 23.87 -51.65 86.20 24.38 -51.22 87.11 25.07 -52.28 84.97 25.03 -51.34 83.76 24.92 3 0 20.35-999 ?-999 ?-999 ? ZN ZN B 402 mLEU~B 14 -51.67 86.24 23.05 -52.08 85.44 22.61 -51.82 88.67 22.67 -51.18 89.70 22.92 -51.13 87.37 22.29 -51.28 87.16 20.80 3 0 16.58-999 ?-999 ?-999 ? ZN ZN B 402 mASP~B 15 -53.14 88.58 22.73 -53.53 87.68 22.53 -53.75 90.22 24.52 -53.82 91.43 24.81 -53.95 89.71 23.07 -55.42 89.37 22.84 2 0 16.98-999 ?-999 ?-999 ? ZN ZN B 402 mHIS~B 16 -53.47 89.29 25.43 -53.47 88.35 25.08 -51.94 90.56 26.86 -51.97 91.60 27.49 -53.18 89.65 26.81 -52.99 88.39 27.66 3 0 19.21-999 ?-999 ?-999 ? ZN ZN B 402 mHIS~B 17 -50.87 90.18 26.17 -50.99 89.37 25.59 -49.49 92.06 25.30 -48.79 93.02 25.60 -49.63 90.90 26.27 -48.44 89.94 26.13 3 0 16.82-999 ?-999 ?-999 ? ZN ZN B 402 mVAL~B 18 -50.16 92.00 24.14 -50.76 91.20 24.06 -51.41 93.28 22.51 -51.77 92.78 21.42 -50.02 93.02 23.09 -49.05 92.57 21.96 3 0 13.41-999 ?-999 ?-999 ? ZN ZN B 402 mPRO~B 19 -52.24 93.97 23.29 -51.82 94.48 24.04 -54.03 94.40 21.61 -53.61 95.49 21.20 -53.68 93.94 23.02 -54.28 94.90 24.03 3 0 14.92-999 ?-999 ?-999 ? ZN ZN B 402 mPHE~B 20 -54.85 93.61 20.91 -55.19 92.81 21.40 -55.94 95.28 19.45 -55.85 95.97 18.44 -55.19 93.95 19.54 -55.94 92.81 18.90 3 0 13.79-999 ?-999 ?-999 ? O3 B3P B 371 mSER~B 21 -56.62 95.65 20.54 -56.58 95.00 21.30 -56.46 98.15 20.57 -56.94 99.24 20.30 -57.37 96.89 20.61 -58.22 96.89 21.90 2 0 13.76-999 ?-999 ?-999 ? O3 B3P B 371 mTHR~B 22 -55.16 97.99 20.82 -54.87 97.06 21.04 -53.81 99.41 19.35 -53.08 100.40 19.13 -54.27 99.13 20.76 -53.10 99.01 21.74 2 0 11.08-999 ?-999 ?-999 ? O3 B3P B 371 mALA~B 23 -54.17 98.53 18.39 -54.64 97.70 18.72 -54.71 99.99 16.50 -55.76 100.26 17.06 -53.88 98.80 16.98 -54.15 97.55 16.10 2 0 8.50-999 ?-999 ?-999 ? O3 B3P B 371 mGLU.B 24 -54.23 100.70 15.48 -53.34 100.39 15.14 -56.23 101.31 14.27 -56.28 100.17 13.87 -54.97 101.84 14.92 -54.14 102.59 13.86 2 0 6.92-999 ?-999 ?-999 ? O3 B3P B 371 mSER.B 25 -57.27 102.15 14.18 -57.07 103.09 14.47 -58.58 101.40 12.19 -59.38 100.60 11.75 -58.57 101.71 13.68 -59.63 102.77 13.97 2 0 9.22-999 ?-999 ?-999 ? C7 B3P B 371 mTRP.B 26 -57.65 101.97 11.42 -57.10 102.66 11.88 -56.74 100.26 9.79 -56.68 99.79 8.68 -57.49 101.59 10.01 -56.77 102.70 9.19 3 0 -6.42-999 ?-999 ?-999 ? C7 B3P B 371s mASP.B 27 -56.11 99.69 10.83 -56.31 100.11 11.72 -56.02 97.27 10.51 -57.26 97.26 10.72 -55.21 98.57 10.66 -54.29 98.49 11.88 2 0 7.45-999 ?-999 ?-999 ? C5 B3P B 371 mASN.B 28 -55.35 96.21 10.10 -54.39 96.41 9.88 -55.12 93.90 10.77 -54.08 93.44 10.30 -55.94 94.90 9.97 -56.02 94.53 8.51 2 0 10.14-999 ?-999 ?-999 ? C5 B3P B 371 mVAL.B 29 -55.56 93.60 11.99 -56.47 93.96 12.20 -55.46 91.57 13.44 -56.69 91.44 13.30 -54.75 92.80 12.93 -54.17 93.64 14.11 3 0 11.98-999 ?-999 ?-999 ? ZN ZN B 402 mGLY^B 30 -54.69 90.64 13.97 -53.71 90.83 13.97 -55.15 88.26 13.57 -54.22 88.20 12.75 -55.27 89.43 14.51-999.99-999.99-999.99 1 0 14.53-999 ?-999 ?-999 ? ZN ZN B 402 mLEU^B 31 -56.06 87.30 13.71 -56.73 87.48 14.43 -56.53 86.50 11.47 -57.70 86.76 11.32 -56.02 86.08 12.84 -56.88 84.96 13.42 3 0 17.26-999 ?-999 ?-999 ? ZN ZN B 402 mLEU^B 32 -55.66 86.60 10.48 -54.72 86.34 10.72 -56.46 85.87 8.28 -57.33 85.97 7.42 -56.07 87.06 9.14 -54.94 87.82 8.44 3 0 16.84-999 ?-999 ?-999 ? ZN ZN B 401 mILE^B 33 -55.75 84.76 8.44 -55.07 84.80 9.17 -55.79 82.41 8.53 -54.70 82.20 9.06 -55.96 83.60 7.62 -54.94 83.46 6.45 3 0 19.38-999 ?-999 ?-999 ? ZN ZN B 401 mGLY.B 34 -56.85 81.61 8.67 -57.69 81.93 8.24 -58.02 79.91 10.10 -59.12 80.30 9.75 -56.75 80.37 9.41-999.99-999.99-999.99 1 0 22.41-999 ?-999 ?-999 ? ZN ZN B 401 mASP.B 35 -57.83 79.08 11.12 -56.87 78.96 11.37 -58.60 78.39 13.31 -57.60 77.80 13.74 -58.91 78.39 11.81 -58.95 76.96 11.29 2 0 25.09-999 ?-999 ?-999 ? ZN ZN B 402 mGLU.B 36 -59.44 79.06 14.09 -60.20 79.46 13.57 -59.20 77.82 16.27 -58.57 77.69 17.33 -59.28 79.18 15.55 -60.49 79.95 16.12 2 0 24.86-999 ?-999 ?-999 ? ZN ZN B 402 mASP.B 37 -59.84 76.81 15.70 -60.25 77.01 14.81 -58.69 74.65 16.15 -58.52 73.63 16.82 -59.92 75.51 16.35 -61.16 74.73 15.87 2 0 28.31-999 ?-999 ?-999 ? ZN ZN B 402 mVAL.B 38 -57.81 75.05 15.23 -57.99 75.95 14.83 -55.59 74.22 15.90 -55.28 75.24 16.45 -56.70 74.20 14.86 -56.15 74.57 13.41 3 0 27.65-999 ?-999 ?-999 ? ZN ZN B 402 mGLU.B 39 -54.99 73.06 16.14 -55.36 72.30 15.60 -52.58 73.51 16.54 -52.26 73.25 15.40 -53.90 72.92 17.11 -53.79 71.42 17.51 2 0 28.02-999 ?-999 ?-999 ? ZN ZN B 402 mVAL.B 40 -51.88 74.34 17.32 -52.28 74.47 18.22 -49.48 74.00 16.96 -49.23 73.40 18.00 -50.63 74.98 16.89 -50.29 76.19 17.77 3 0 25.08-999 ?-999 ?-999 ? ZN ZN B 402 mTHR.B 41 -48.78 73.80 15.85 -49.07 74.35 15.06 -46.33 73.51 16.00 -45.35 72.87 16.35 -47.67 72.84 15.82 -47.62 72.05 14.48 2 0 26.45-999 ?-999 ?-999 ? ZN ZN B 402 mGLY.B 42 -46.28 74.83 15.78 -47.15 75.25 15.52 -45.33 76.97 15.40 -46.26 77.16 14.61 -45.06 75.57 15.90-999.99-999.99-999.99 1 0 23.56-999 ?-999 ?-999 ? ZN ZN B 402 mVAL^B 43 -44.51 77.94 15.85 -43.79 77.61 16.46 -43.38 79.96 14.84 -42.30 79.88 15.42 -44.67 79.35 15.48 -45.13 80.22 16.72 3 0 19.76-999 ?-999 ?-999 ? ZN ZN B 402 mLEU^B 44 -43.56 80.55 13.66 -44.49 80.46 13.31 -42.90 82.71 12.92 -43.99 83.08 12.42 -42.56 81.26 12.93 -42.49 80.75 11.49 3 0 17.71-999 ?-999 ?-999 ? ZN ZN B 402 mTHR^B 45 -42.01 83.54 13.44 -41.23 83.09 13.88 -41.54 85.63 12.09 -40.54 85.13 11.57 -42.17 85.01 13.36 -41.62 85.73 14.61 2 0 14.07-999 ?-999 ?-999 ? ZN ZN B 402 mALA^B 46 -42.18 86.70 11.58 -42.91 87.07 12.15 -42.14 88.77 10.32 -43.01 89.20 11.10 -41.82 87.26 10.31 -42.61 86.56 9.20 2 0 11.83-999 ?-999 ?-999 ? ZN ZN B 401 mLEU.B 47 -41.45 89.55 9.47 -40.67 89.12 9.01 -42.98 90.96 8.22 -44.10 91.46 8.49 -41.85 90.93 9.26 -40.65 91.79 8.81 3 0 8.17-999 ?-999 ?-999 ? ZN ZN B 401 mASP.B 48 -42.68 90.43 7.04 -41.73 90.12 6.98 -43.69 88.79 5.67 -42.65 88.10 5.58 -43.60 90.29 5.95 -43.07 90.96 4.68 2 0 9.02-999 ?-999 ?-999 ? ZN ZN B 401 mCYH.B 49 -44.93 88.32 5.50 -45.65 89.01 5.61 -45.11 86.69 3.68 -46.12 86.78 3.00 -45.19 86.89 5.19 -46.55 86.48 5.66 2 0 12.53-999 ?-999 ?-999 ? ZN ZN B 401 mTHR~B 50 -43.88 86.55 3.15 -43.13 86.58 3.82 -43.82 84.86 1.41 -43.93 83.99 2.34 -43.67 86.36 1.73 -42.26 86.77 1.33 2 0 14.37-999 ?-999 ?-999 ? ZN ZN B 401 mLEU~B 51 -43.73 84.51 0.13 -43.58 85.27 -0.51 -42.74 82.24 0.39 -42.97 81.09 0.83 -43.85 83.08 -0.25 -43.83 82.88 -1.76 3 0 18.19-999 ?-999 ?-999 ? ZN ZN B 401 mGLU~B 52 -41.56 82.82 0.44 -41.54 83.76 0.07 -40.55 81.88 2.50 -40.00 80.91 3.02 -40.40 82.15 0.99 -39.17 82.99 0.65 2 0 18.79-999 ?-999 ?-999 ? ZN ZN B 401 mVAL~B 53 -41.31 82.72 3.20 -41.64 83.50 2.68 -42.62 81.34 4.79 -42.47 80.50 5.68 -41.62 82.51 4.62 -42.12 83.80 5.28 3 0 17.01-999 ?-999 ?-999 ? ZN ZN B 401 mVAL~B 54 -43.60 81.28 3.91 -43.61 82.01 3.23 -43.87 78.86 3.69 -44.13 77.90 4.41 -44.57 80.21 3.95 -45.74 80.45 2.95 3 0 19.24-999 ?-999 ?-999 ? ZN ZN B 401 mASN~B 55 -42.94 78.83 2.73 -42.79 79.71 2.27 -41.36 77.20 3.56 -41.20 76.02 3.81 -42.20 77.62 2.40 -41.31 77.83 1.17 2 0 22.23-999 ?-999 ?-999 ? ZN ZN B 401 mGLU~B 56 -40.78 78.18 4.25 -40.95 79.10 3.88 -40.84 77.30 6.59 -40.42 76.34 7.25 -39.97 77.91 5.45 -39.27 79.22 5.89 2 0 21.55-999 ?-999 ?-999 ? ZN ZN B 401 mALA~B 57 -42.04 77.80 6.80 -42.24 78.59 6.22 -43.28 75.78 7.47 -43.20 74.90 8.33 -42.96 77.21 7.82 -44.23 78.03 7.96 2 0 21.64-999 ?-999 ?-999 ? ZN ZN B 401 mILE~B 58 -43.63 75.53 6.21 -43.66 76.34 5.61 -42.76 73.27 6.01 -42.92 72.14 6.50 -43.94 74.19 5.76 -44.32 74.17 4.28 3 0 24.81-999 ?-999 ?-999 ? ZN ZN B 401 mGLU~B 59 -41.57 73.75 5.67 -41.57 74.71 5.38 -40.10 72.56 7.16 -39.63 71.46 7.42 -40.39 72.93 5.71 -39.20 73.67 5.03 2 0 26.32-999 ?-999 ?-999 ? ZN ZN B 401 mLYS~B 60 -40.40 73.46 8.09 -40.82 74.30 7.73 -41.22 72.50 10.24 -41.06 72.16 11.41 -40.13 73.22 9.51 -39.85 74.55 10.24 2 0 25.88-999 ?-999 ?-999 ? ZN ZN B 401 mGLY~B 61 -42.33 72.26 9.58 -42.31 72.54 8.62 -44.24 72.58 11.17 -44.95 72.13 12.05 -43.48 71.65 10.23-999.99-999.99-999.99 1 0 27.19-999 ?-999 ?-999 ? ZN ZN B 401 mTYR.B 62 -44.13 73.89 10.96 -43.48 74.15 10.24 -46.18 75.29 10.99 -46.09 75.61 9.80 -44.91 74.85 11.74 -44.08 76.08 12.07 3 0 24.03-999 ?-999 ?-999 ? ZN ZN B 402 mASN.B 63 -47.31 75.37 11.70 -47.23 75.17 12.67 -49.07 77.09 11.41 -50.19 77.45 11.06 -48.58 75.71 11.05 -49.66 74.65 11.30 2 0 23.56-999 ?-999 ?-999 ? ZN ZN B 402 mTHR^B 64 -48.22 77.89 12.06 -47.31 77.50 12.22 -47.49 80.22 12.20 -46.31 79.98 12.60 -48.61 79.24 12.48 -48.96 79.26 13.98 2 0 20.07-999 ?-999 ?-999 ? ZN ZN B 402 mILE^B 65 -47.86 81.32 11.51 -48.81 81.32 11.21 -47.54 83.62 11.90 -48.73 83.89 11.73 -46.95 82.41 11.23 -46.73 82.65 9.71 3 0 16.69-999 ?-999 ?-999 ? ZN ZN B 402 mILE^B 66 -46.71 84.32 12.67 -45.84 83.87 12.89 -46.16 86.70 12.46 -44.94 86.73 12.65 -47.05 85.64 13.16 -46.83 85.78 14.68 3 0 13.50-999 ?-999 ?-999 ? ZN ZN B 402 mSER^B 67 -46.78 87.57 11.66 -47.77 87.44 11.58 -46.37 89.95 11.63 -47.37 90.07 12.34 -46.05 88.61 10.98 -46.41 88.64 9.47 2 0 10.48-999 ?-999 ?-999 ? ZN ZN B 402 mHIS.B 68 -45.49 90.93 11.40 -44.65 90.65 10.95 -46.72 92.92 10.75 -47.82 93.36 11.09 -45.78 92.29 11.78 -44.50 93.10 11.89 3 0 -6.75-999 ?-999 ?-999 ? ZN ZN B 402s mHIS.B 69 -46.33 92.89 9.49 -45.47 92.41 9.32 -48.28 92.58 8.08 -48.06 91.37 7.90 -47.12 93.51 8.46 -46.29 93.84 7.25 3 0 -6.16-999 ?-999 ?-999 ? ZN ZN B 401s mPRO.B 70 -49.47 93.12 7.91 -49.50 94.12 8.03 -50.59 91.94 6.09 -50.55 92.80 5.22 -50.63 92.29 7.57 -51.83 93.20 7.94 3 0 9.38-999 ?-999 ?-999 ? ZN ZN B 401 mLEU.B 71 -50.62 90.65 5.78 -50.70 90.03 6.55 -51.80 90.68 3.65 -51.74 90.94 2.44 -50.55 90.21 4.40 -50.45 88.70 4.36 3 0 11.70-999 ?-999 ?-999 ? ZN ZN B 401 mILE.B 72 -52.92 90.71 4.36 -52.83 90.32 5.27 -54.35 92.59 4.54 -54.43 92.61 5.76 -54.16 91.28 3.82 -55.38 90.39 4.03 3 0 12.07-999 ?-999 ?-999 ? O4 B3P B 371 mPHE.B 73 -54.32 93.68 3.80 -54.19 93.52 2.82 -55.74 95.61 3.93 -56.72 95.62 4.65 -54.46 94.99 4.41 -53.24 95.86 4.20 3 0 8.63-999 ?-999 ?-999 ? O4 B3P B 371 mLYS.B 74 -55.78 96.08 2.70 -54.91 96.14 2.21 -57.68 95.16 1.62 -56.99 94.25 1.15 -57.07 96.46 2.17 -56.93 97.60 1.16 2 0 9.19-999 ?-999 ?-999 ? C5 B3P B 371 mGLY.B 75 -58.97 95.01 1.71 -59.51 95.80 1.98 -59.02 93.15 0.02 -58.82 93.89 -0.96 -59.48 93.70 1.39-999.99-999.99-999.99 1 0 12.87-999 ?-999 ?-999 ? C5 B3P B 371 mVAL.B 76 -58.88 91.83 -0.06 -59.03 91.33 0.80 -59.79 91.11 -2.16 -60.80 90.73 -1.65 -58.53 91.19 -1.32 -58.02 89.77 -1.06 3 0 15.28-999 ?-999 ?-999 ? O4 B3P B 371 mTHR.B 77 -59.75 91.51 -3.42 -58.90 91.97 -3.70 -60.74 90.01 -5.19 -61.68 89.64 -5.86 -60.88 91.29 -4.31 -61.08 92.47 -5.22 2 0 17.87-999 ?-999 ?-999 ? O4 B3P B 371 mSER.B 78 -59.57 89.39 -5.19 -58.83 89.91 -4.76 -58.37 87.20 -5.12 -57.50 87.70 -4.45 -59.44 88.06 -5.78 -59.15 88.17 -7.26 2 0 20.20-999 ?-999 ?-999 ? O4 B3P B 371 mLEU.B 79 -58.44 85.89 -5.34 -59.23 85.61 -5.88 -57.03 84.01 -5.95 -57.52 82.89 -6.10 -57.44 84.95 -4.81 -58.03 84.19 -3.63 3 0 21.45-999 ?-999 ?-999 ? O4 B3P B 371 mLYS.B 80 -56.19 84.57 -6.82 -55.94 85.50 -6.59 -54.26 83.40 -7.77 -53.62 83.83 -6.80 -55.71 83.86 -8.01 -55.72 84.80 -9.21 2 0 23.55-999 ?-999 ?-999 ? O4 B3P B 371 mALA.B 81 -53.77 82.56 -8.67 -54.38 82.37 -9.44 -51.38 82.93 -9.00 -50.59 82.61 -9.89 -52.46 81.95 -8.54 -52.39 80.66 -9.36 2 0 25.00-999 ?-999 ?-999 ? O4 B3P B 371 mASN~B 82 -51.36 84.11 -8.44 -52.12 84.28 -7.80 -50.34 86.15 -7.67 -51.29 86.31 -6.89 -50.33 85.08 -8.73 -50.45 85.66 -10.14 2 0 22.53-999 ?-999 ?-999 ? O4 B3P B 371 mGLY~B 83 -49.20 86.82 -7.57 -48.48 86.50 -8.18 -49.30 87.48 -5.22 -48.83 86.45 -4.76 -49.05 87.91 -6.64-999.99-999.99-999.99 1 0 19.10-999 ?-999 ?-999 ? O4 B3P B 371 mTYR~B 84 -50.02 88.30 -4.50 -50.33 89.11 -5.01 -51.30 86.85 -3.04 -51.31 86.09 -2.09 -50.31 88.02 -3.10 -50.89 89.26 -2.40 3 0 16.97-999 ?-999 ?-999 ? O4 B3P B 371 mGLY~B 85 -52.10 86.68 -4.09 -52.04 87.39 -4.78 -52.27 84.18 -4.03 -52.78 83.28 -3.35 -52.96 85.52 -4.18-999.99-999.99-999.99 1 0 19.76-999 ?-999 ?-999 ? O4 B3P B 371 mLEU~B 86 -51.09 84.07 -4.61 -50.79 84.90 -5.08 -49.90 82.53 -3.11 -49.95 81.40 -2.69 -50.32 82.84 -4.55 -49.09 82.99 -5.46 3 0 21.81-999 ?-999 ?-999 ? ZN ZN B 401 mILE~B 87 -49.59 83.55 -2.33 -49.68 84.44 -2.77 -50.37 82.96 -0.08 -50.31 81.99 0.71 -49.15 83.38 -0.96 -48.53 84.68 -0.37 3 0 19.02-999 ?-999 ?-999 ? ZN ZN B 401 mILE~B 88 -51.50 83.63 -0.28 -51.47 84.29 -1.04 -53.18 81.99 0.28 -53.55 81.24 1.20 -52.66 83.40 0.55 -53.74 84.47 0.25 3 0 19.54-999 ?-999 ?-999 ? ZN ZN B 401 mARG~B 89 -53.25 81.63 -1.01 -53.01 82.35 -1.65 -52.73 79.19 -0.86 -53.18 78.14 -0.44 -53.66 80.27 -1.42 -53.76 80.14 -2.95 2 0 23.30-999 ?-999 ?-999 ? ZN ZN B 401 mLYS~B 90 -51.43 79.45 -0.84 -51.16 80.34 -1.21 -50.73 78.26 1.19 -50.69 77.12 1.64 -50.51 78.47 -0.32 -49.06 78.84 -0.65 2 0 23.25-999 ?-999 ?-999 ? ZN ZN B 401 mLEU~B 91 -50.99 79.33 1.94 -50.97 80.19 1.42 -52.48 78.33 3.59 -52.45 77.39 4.38 -51.29 79.25 3.39 -51.58 80.65 3.99 3 0 21.58-999 ?-999 ?-999 ? ZN ZN B 401 mILE~B 92 -53.53 78.60 2.81 -53.39 79.33 2.14 -54.61 76.43 2.55 -55.07 75.51 3.22 -54.77 77.89 2.96 -55.92 78.59 2.20 3 0 24.26-999 ?-999 ?-999 ? ZN ZN B 401 mGLN~B 93 -53.92 76.21 1.47 -53.50 77.01 1.04 -52.98 73.99 1.89 -53.22 72.79 1.93 -53.83 74.89 0.97 -53.28 74.91 -0.45 2 0 27.04-999 ?-999 ?-999 ? ZN ZN B 401 mHIS~B 94 -52.04 74.59 2.62 -51.95 75.57 2.44 -51.70 73.99 5.02 -50.96 73.63 5.93 -51.23 73.86 3.59 -49.78 74.32 3.47 3 0 26.50-999 ?-999 ?-999 ? ZN ZN B 401 mASP.B 95 -52.91 74.51 5.23 -53.41 74.76 4.40 -52.47 75.43 7.51 -52.26 75.05 8.65 -53.44 74.68 6.58 -53.83 73.32 7.16 2 0 26.00-999 ?-999 ?-999 ? ZN ZN B 401 mILE.B 96 -51.89 76.51 6.98 -52.07 76.66 6.00 -51.92 78.61 8.15 -52.68 79.21 7.35 -51.08 77.40 7.75 -49.85 77.91 6.96 3 0 22.57-999 ?-999 ?-999 ? ZN ZN B 401 mASN^B 97 -51.81 78.94 9.43 -51.21 78.35 9.96 -51.56 81.27 10.08 -50.40 81.14 10.47 -52.49 80.05 10.00 -52.94 79.69 11.42 2 0 20.61-999 ?-999 ?-999 ? ZN ZN B 402 mLEU^B 98 -52.10 82.45 9.79 -53.08 82.41 9.60 -52.01 84.70 10.64 -53.16 85.08 10.39 -51.34 83.68 9.74 -51.24 84.23 8.29 3 0 16.83-999 ?-999 ?-999 ? ZN ZN B 401 mILE^B 99 -51.27 85.17 11.63 -50.38 84.73 11.69 -50.85 87.46 12.32 -49.64 87.35 12.16 -51.72 86.23 12.54 -51.53 85.75 14.02 3 0 14.59-999 ?-999 ?-999 ? ZN ZN B 402 mALA^B 100 -51.47 88.64 12.27 -52.46 88.60 12.35 -50.79 90.61 13.47 -51.88 90.90 14.03 -50.76 89.87 12.14 -51.40 90.79 11.05 2 0 11.00-999 ?-999 ?-999 ? ZN ZN B 402 mMET.B 101 -49.61 90.93 13.97 -48.85 90.52 13.47 -48.79 93.05 14.61 -47.53 93.15 14.62 -49.46 91.81 15.13 -48.63 91.08 16.22 2 0 9.09-999 ?-999 ?-999 ? ZN ZN B 402 mHIS~B 102 -49.63 93.99 14.13 -50.60 93.85 14.30 -49.00 96.35 14.30 -48.13 96.35 15.18 -49.13 95.13 13.40 -49.92 95.41 12.14 3 0 6.08-999 ?-999 ?-999 ? ZN ZN B 402 mTHR~B 103 -49.87 97.36 14.17 -50.63 97.22 13.54 -49.80 98.34 16.46 -49.19 99.06 17.21 -49.64 98.58 14.94 -50.45 99.79 14.45 2 0 5.52-999 ?-999 ?-999 ? C10 B3P B 371 mASN~B 104 -50.55 97.33 16.92 -51.15 96.89 16.24 -49.04 96.64 18.83 -48.66 96.99 19.95 -50.46 96.93 18.34 -51.47 95.82 18.77 2 0 8.69-999 ?-999 ?-999 ? ZN ZN B 402 mLEU~B 105 -48.22 96.06 17.98 -48.63 95.80 17.10 -45.96 97.09 18.19 -45.00 97.24 18.93 -46.82 95.83 18.35 -46.24 94.67 17.53 3 0 7.09-999 ?-999 ?-999 ? ZN ZN B 402 mASP~B 106 -46.32 97.99 17.26 -47.08 97.70 16.68 -45.77 100.16 18.36 -44.87 100.96 18.66 -45.62 99.29 17.12 -46.09 100.09 15.88 2 0 4.89-999 ?-999 ?-999 ? ZN ZN B 402s mVAL~B 107 -46.88 100.01 19.08 -47.48 99.26 18.78 -47.01 100.21 21.58 -47.19 100.83 22.63 -47.18 100.87 20.21 -48.60 101.45 20.13 3 0 8.49-999 ?-999 ?-999 ? C11 B3P B 371 mASN.B 108 -46.57 98.96 21.58 -46.36 98.60 20.67 -45.14 98.60 23.58 -44.08 98.73 22.94 -46.43 98.21 22.82 -46.37 96.74 22.48 2 0 10.63-999 ?-999 ?-999 ? ZN ZN B 402 mPRO.B 109 -45.22 98.72 24.92 -46.13 98.59 25.32 -42.85 98.04 25.45 -41.71 98.40 25.68 -43.99 99.01 25.68 -44.43 98.91 27.15 3 0 13.29-999 ?-999 ?-999 ? ZN ZN B 402 mHIS.B 110 -43.13 96.82 24.97 -44.11 96.63 24.86 -41.97 95.62 23.13 -41.34 94.66 22.70 -42.06 95.88 24.62 -42.27 94.57 25.38 3 0 12.80-999 ?-999 ?-999 ? ZN ZN B 402 mGLY~B 111 -42.63 96.48 22.36 -42.98 97.26 22.88 -41.68 96.80 20.01 -40.56 96.86 20.45 -42.81 96.30 20.91-999.99-999.99-999.99 1 0 9.03-999 ?-999 ?-999 ? ZN ZN B 402 mVAL~B 112 -41.99 97.14 18.74 -42.97 97.22 18.58 -39.92 98.46 18.10 -38.69 98.31 17.89 -40.98 97.38 17.70 -41.67 97.78 16.36 3 0 6.50-999 ?-999 ?-999 ? ZN ZN B 402 mASN~B 113 -40.39 99.51 18.71 -41.37 99.46 18.89 -38.68 100.44 20.28 -37.51 100.81 20.25 -39.53 100.64 19.06 -40.33 101.92 19.05 2 0 8.46-999 ?-999 ?-999 ? ZN ZN B 402 mMET~B 114 -39.21 99.72 21.28 -40.19 99.56 21.21 -37.28 98.32 21.83 -36.12 98.45 22.22 -38.35 99.24 22.39 -39.18 98.54 23.46 2 0 11.70-999 ?-999 ?-999 ? ZN ZN B 402 mMET~B 115 -37.65 97.40 20.92 -38.63 97.40 20.72 -35.60 97.22 19.51 -34.41 96.90 19.64 -36.69 96.50 20.29 -37.40 95.53 19.35 2 0 11.30-999 ?-999 ?-999 ? ZN ZN B 402 mLEU~B 116 -36.01 98.20 18.72 -37.00 98.30 18.66 -34.07 99.75 18.95 -32.86 99.67 18.77 -35.05 99.03 18.00 -35.77 100.03 17.08 3 0 10.93-999 ?-999 ?-999 ? ZN ZN B 402 mALA~B 117 -34.60 100.39 19.99 -35.59 100.33 20.05 -32.76 100.18 21.65 -31.56 100.50 21.76 -33.76 101.10 20.95 -34.64 101.84 21.99 2 0 13.85-999 ?-999 ?-999 ? ZN ZN B 402 mLYS~B 118 -33.23 99.00 22.03 -34.20 98.88 21.84 -31.28 97.53 21.71 -30.14 97.49 22.10 -32.38 97.99 22.65 -33.23 96.80 23.15 2 0 15.85-999 ?-999 ?-999 ? ZN ZN B 402 mVAL~B 119 -31.61 97.27 20.44 -32.58 97.38 20.22 -29.56 97.96 19.20 -28.40 97.71 18.92 -30.59 96.85 19.48 -31.22 96.36 18.17 3 0 15.67-999 ?-999 ?-999 ? ZN ZN B 402 mMET~B 120 -29.99 99.20 19.33 -30.97 99.27 19.49 -28.25 100.61 20.47 -27.38 101.49 20.42 -29.08 100.34 19.24 -29.87 101.59 18.88 2 0 16.87-999 ?-999 ?-999 ? ZN ZN B 402 mGLY.B 121 -28.48 99.87 21.54 -29.22 99.20 21.42 -28.11 101.22 23.61 -27.31 101.69 24.39 -27.73 100.03 22.78-999.99-999.99-999.99 1 0 19.70-999 ?-999 ?-999 ? ZN ZN B 402 mLEU.B 122 -29.33 101.72 23.44 -29.92 101.18 22.84 -30.24 102.68 25.50 -30.55 101.53 25.84 -29.75 102.96 24.10 -30.83 103.67 23.32 3 0 19.21-999 ?-999 ?-999 ? ZN ZN B 402 mLYS^B 123 -30.33 103.74 26.29 -30.10 104.60 25.84 -31.86 104.63 27.93 -32.13 105.50 27.09 -30.72 103.65 27.68 -29.54 104.01 28.59 2 0 21.08-999 ?-999 ?-999 ? ZN ZN B 402 mASN^B 124 -32.51 104.45 29.08 -32.16 103.67 29.61 -34.74 105.36 28.53 -35.18 106.42 28.14 -33.61 105.30 29.54 -33.08 106.71 29.90 2 0 21.26-999 ?-999 ?-999 ? ZN ZN B 402 mILE^B 125 -35.16 104.19 28.06 -34.78 103.39 28.53 -37.51 104.23 27.49 -37.89 103.51 28.42 -36.08 104.09 26.96 -35.96 102.72 26.25 3 0 17.58-999 ?-999 ?-999 ? ZN ZN B 402 mSER^B 126 -38.28 105.16 26.96 -37.83 105.82 26.36 -40.59 105.49 26.09 -40.19 106.19 25.15 -39.70 105.17 27.27 -40.03 106.09 28.45 2 0 16.82-999 ?-999 ?-999 ? C11 B3P B 371 mILE^B 127 -41.82 104.98 26.21 -41.96 104.44 27.04 -43.16 106.65 25.14 -43.19 107.36 26.16 -42.85 105.17 25.25 -44.15 104.38 25.63 3 0 13.70-999 ?-999 ?-999 ? C11 B3P B 371 mILE.B 128 -43.40 107.11 23.91 -43.21 106.44 23.19 -45.18 108.40 22.81 -45.62 107.30 22.36 -43.90 108.47 23.65 -42.82 109.39 22.95 3 0 12.57-999 ?-999 ?-999 ? C11 B3P B 371 mASN.B 129 -45.79 109.56 22.60 -45.29 110.34 22.99 -48.16 108.79 22.50 -48.93 108.13 21.80 -47.06 109.67 21.87 -46.87 109.36 20.37 2 0 10.96-999 ?-999 ?-999 ? C11 B3P B 371 mASN^B 130 -48.24 108.79 23.82 -47.65 109.46 24.27 -50.59 107.98 24.15 -51.12 109.08 24.02 -49.14 107.87 24.52 -49.01 108.02 26.04 2 0 12.78-999 ?-999 ?-999 ? C11 B3P B 371 mGLN^B 131 -51.25 106.82 24.02 -50.67 106.00 24.07 -53.38 107.32 25.11 -52.70 107.54 26.14 -52.69 106.77 23.82 -53.14 105.33 23.48 2 0 12.46-999 ?-999 ?-999 ? O3 B3P B 371 mGLN^B 132 -54.67 107.62 25.02 -55.02 107.57 24.09 -56.57 106.94 26.31 -57.23 106.60 25.34 -55.49 108.00 26.19 -56.13 109.39 26.06 2 0 15.91-999 ?-999 ?-999 ? O3 B3P B 371 mASP^B 133 -56.71 106.40 27.50 -56.06 106.73 28.19 -58.84 106.03 28.58 -58.58 106.80 29.49 -57.73 105.40 27.76 -57.12 104.20 28.48 2 0 17.86-999 ?-999 ?-999 ? O3 B3P B 371 mVAL^B 134 -60.07 105.71 28.22 -60.12 105.07 27.45 -61.67 105.28 29.99 -61.80 104.08 29.77 -61.24 106.23 28.88 -62.40 106.41 27.90 3 0 20.80-999 ?-999 ?-999 ? O3 B3P B 371 mTYR^B 135 -61.82 105.84 31.19 -61.54 106.80 31.20 -63.55 105.93 32.88 -63.82 107.03 32.40 -62.35 105.14 32.36 -61.31 105.08 33.47 3 0 24.17-999 ?-999 ?-999 ? O3 B3P B 371 mTYR^B 136 -64.24 105.39 33.88 -64.00 104.44 34.09 -65.06 106.07 36.09 -64.76 104.99 36.63 -65.26 106.15 34.60 -66.67 105.64 34.30 3 0 27.75-999 ?-999 ?-999 ? O3 B3P B 371 mLYS^B 137 -65.21 107.20 36.76 -65.23 108.03 36.20 -66.85 107.06 38.51 -67.63 107.95 38.17 -65.36 107.18 38.21 -64.75 108.41 38.85 2 0 30.86-999 ?-999 ?-999 ? O3 B3P B 371 mVAL^B 138 -67.22 105.91 39.07 -66.47 105.26 39.18 -68.78 106.22 40.86 -67.96 106.00 41.75 -68.58 105.63 39.48 -68.84 104.11 39.55 3 0 33.60-999 ?-999 ?-999 ? O3 B3P B 371 mGLN^B 139 -69.86 106.99 41.02 -70.39 107.11 40.18 -71.66 107.18 42.64 -72.58 107.47 41.89 -70.23 107.58 42.30 -70.12 109.12 42.24 2 0 36.99-999 ?-999 ?-999 ? O3 B3P B 371 mTHR^B 140 -71.82 106.50 43.77 -70.97 106.19 44.19 -73.25 106.83 45.75 -72.25 107.05 46.43 -73.15 106.25 44.33 -73.53 104.74 44.35 2 0 40.23-999 ?-999 ?-999 ? O3 B3P B 371 mTYR^B 141 -74.50 107.10 46.15 -75.19 106.89 45.47 -75.69 106.64 48.20 -76.68 106.14 47.64 -74.82 107.65 47.46 -75.53 108.99 47.26 3 0 43.83-999 ?-999 ?-999 ? O3 B3P B 371 mILE^B 142 -75.32 106.33 49.44 -74.61 106.94 49.81 -75.82 105.38 51.74 -74.81 105.84 52.26 -75.90 105.20 50.19 -75.22 103.87 49.73 3 0 46.53-999 ?-999 ?-999 ? O3 B3P B 371 mPRO~B 143 -76.90 105.03 52.47 -77.70 104.70 51.96 -75.75 104.27 54.58 -75.44 103.19 54.07 -76.84 105.15 53.94 -78.23 104.71 54.38 3 0 50.15-999 ?-999 ?-999 ? O3 B3P B 371 mLYS~B 144 -75.18 104.75 55.69 -75.62 105.57 56.05 -74.16 102.63 56.63 -73.26 101.83 56.40 -73.99 104.12 56.30 -73.57 104.88 57.57 2 0 50.64-999 ?-999 ?-999 ? O3 B3P B 371 mASP~B 145 -75.31 102.25 57.16 -75.98 102.99 57.28 -75.71 99.94 56.31 -75.54 98.73 56.41 -75.53 100.85 57.52 -76.73 100.72 58.46 2 0 52.56-999 ?-999 ?-999 ? O3 B3P B 371 mASN~B 146 -76.04 100.54 55.17 -76.15 101.53 55.25 -74.90 99.61 53.15 -74.86 98.88 52.16 -76.21 99.80 53.92 -77.20 100.54 53.02 2 0 49.93-999 ?-999 ?-999 ? O3 B3P B 371 mVAL~B 147 -73.84 100.26 53.62 -73.98 100.64 54.53 -71.85 99.06 52.65 -71.32 98.79 51.57 -72.59 100.40 52.86 -71.66 101.48 53.52 3 0 47.09-999 ?-999 ?-999 ? O3 B3P B 371 mGLY~B 148 -71.83 98.23 53.68 -72.35 98.54 54.48 -71.61 95.99 52.59 -70.86 95.61 51.69 -71.10 96.97 53.63-999.99-999.99-999.99 1 0 47.41-999 ?-999 ?-999 ? O3 B3P B 371 mPRO~B 149 -72.88 95.57 52.71 -73.40 95.97 53.46 -73.61 95.13 50.35 -73.59 94.36 49.38 -73.44 94.58 51.77 -74.79 94.18 52.39 3 0 47.38-999 ?-999 ?-999 ? O3 B3P B 371 mPHE~B 150 -73.77 96.43 50.22 -73.92 96.94 51.07 -72.31 96.77 48.33 -72.18 96.21 47.25 -73.71 97.04 48.90 -74.04 98.53 48.95 3 0 44.73-999 ?-999 ?-999 ? O3 B3P B 371 mLYS~B 151 -71.28 97.13 49.09 -71.53 97.52 49.98 -69.52 95.51 48.31 -68.94 95.24 47.26 -69.89 96.96 48.64 -68.91 97.51 49.67 2 0 42.52-999 ?-999 ?-999 ? O3 B3P B 371 mASP~B 152 -69.87 94.60 49.22 -70.32 95.00 50.02 -70.26 92.55 47.82 -69.67 91.71 47.15 -69.61 93.15 49.06 -70.13 92.37 50.28 2 0 43.52-999 ?-999 ?-999 ? O3 B3P B 371 mLYS~B 153 -71.50 92.96 47.54 -71.87 93.63 48.19 -71.64 92.99 45.07 -71.50 92.24 44.10 -72.23 92.46 46.38 -73.71 92.83 46.47 2 0 42.84-999 ?-999 ?-999 ? O3 B3P B 371 mLEU~B 154 -71.29 94.27 45.05 -71.52 94.78 45.87 -69.28 94.13 43.67 -68.88 93.85 42.53 -70.62 94.83 43.87 -70.45 96.35 43.99 3 0 39.37-999 ?-999 ?-999 ? O3 B3P B 371 mSER~B 155 -68.61 93.80 44.78 -69.09 94.01 45.63 -67.35 91.68 44.44 -66.50 91.14 43.74 -67.28 93.18 44.74 -66.55 93.42 46.06 2 0 38.78-999 ?-999 ?-999 ? O3 B3P B 371 mGLU~B 156 -68.35 91.03 45.01 -68.83 91.56 45.71 -68.92 89.53 43.14 -68.60 88.51 42.54 -68.70 89.66 44.64 -69.97 89.23 45.36 2 0 40.49-999 ?-999 ?-999 ? O3 B3P B 371 mASN~B 157 -69.45 90.58 42.52 -69.65 91.36 43.12 -68.61 91.21 40.25 -68.80 91.49 39.07 -69.72 90.56 41.09 -71.10 91.16 40.81 2 0 37.93-999 ?-999 ?-999 ? O3 B3P B 371 mGLY.B 158 -67.45 91.42 40.88 -67.50 91.34 41.87 -65.97 93.21 39.81 -65.15 93.51 38.95 -66.21 91.75 40.15-999.99-999.99-999.99 1 0 34.95-999 ?-999 ?-999 ? O3 B3P B 371 mLEU.B 159 -66.68 94.11 40.48 -67.36 93.70 41.09 -65.43 96.02 41.41 -65.39 95.46 42.49 -66.46 95.56 40.34 -67.79 96.32 40.50 3 0 34.10-999 ?-999 ?-999 ? O3 B3P B 371 mALA.B 160 -64.63 97.03 41.09 -64.77 97.37 40.17 -62.51 96.58 42.33 -61.97 96.57 43.43 -63.63 97.58 42.03 -64.29 98.06 43.34 2 0 33.76-999 ?-999 ?-999 ? O3 B3P B 371 mGLN.B 161 -62.19 95.74 41.34 -62.72 95.90 40.50 -59.92 95.08 40.62 -59.43 96.21 40.69 -61.16 94.70 41.45 -61.70 93.34 41.00 2 0 32.91-999 ?-999 ?-999 ? O3 B3P B 371 mGLU.B 166 -58.53 94.06 44.76 -57.54 94.13 44.62 -60.55 94.94 46.02 -59.82 95.56 46.80 -59.98 93.95 44.98 -60.37 92.50 45.33 2 0 35.89-999 ?-999 ?-999 ? O3 B3P B 371 mTYR.B 167 -61.88 95.09 46.00 -62.31 94.61 45.24 -62.09 97.32 47.14 -61.97 97.84 48.26 -62.63 95.88 46.99 -62.61 95.15 48.34 3 0 38.14-999 ?-999 ?-999 ? O3 B3P B 371 mCYH.B 168 -61.77 97.94 46.02 -61.97 97.41 45.19 -62.23 100.34 45.90 -62.74 100.63 44.82 -61.16 99.28 46.00 -60.20 99.42 44.83 2 0 36.14-999 ?-999 ?-999 ? O3 B3P B 371 mPHE.B 169 -62.58 100.90 47.06 -62.08 100.54 47.85 -62.96 103.11 47.88 -62.02 102.93 48.67 -63.58 101.94 47.15 -64.79 101.47 47.98 3 0 37.86-999 ?-999 ?-999 ? O3 B3P B 371 mPHE^B 170 -63.49 104.31 47.61 -64.07 104.32 46.80 -64.55 106.00 49.03 -65.54 106.18 48.32 -63.24 105.47 48.44 -62.51 106.56 47.66 3 0 38.90-999 ?-999 ?-999 ? O3 B3P B 371 mGLU^B 171 -64.54 106.26 50.34 -63.63 106.19 50.75 -65.75 108.04 51.65 -64.81 108.50 52.31 -65.75 106.61 51.10 -65.97 105.62 52.24 2 0 42.38-999 ?-999 ?-999 ? O3 B3P B 371 mSER^B 172 -66.86 108.72 51.37 -67.58 108.16 50.95 -68.31 110.23 52.47 -69.28 109.54 52.18 -67.04 110.14 51.63 -67.17 110.90 50.29 2 0 43.75-999 ?-999 ?-999 ? O3 B3P B 371 mGLU^B 173 -68.31 111.05 53.52 -67.43 111.47 53.72 -70.16 112.61 53.89 -69.45 113.57 53.62 -69.54 111.28 54.28 -69.29 111.23 55.77 2 0 47.35-999 ?-999 ?-999 ? O3 B3P B 371 mGLY^B 174 -71.49 112.64 53.83 -71.92 111.77 54.06 -73.70 113.72 53.77 -74.17 112.66 54.20 -72.22 113.85 53.47-999.99-999.99-999.99 1 0 48.35-999 ?-999 ?-999 ? O3 B3P B 371 mARG^B 175 -74.44 114.80 53.54 -73.93 115.57 53.16 -76.68 115.11 52.57 -76.47 116.13 51.91 -75.87 114.82 53.84 -76.18 115.87 54.90 2 0 50.71-999 ?-999 ?-999 ? O3 B3P B 371 mGLY^B 176 -77.57 114.19 52.22 -77.56 113.36 52.78 -79.72 115.15 51.58 -79.93 115.33 52.77 -78.50 114.39 51.11-999.99-999.99-999.99 1 0 49.92-999 ?-999 ?-999 ? O3 B3P B 371 mGLN.B 177 -80.53 115.60 50.62 -80.19 115.43 49.69 -82.69 116.38 49.66 -83.93 116.55 49.77 -81.81 116.27 50.90 -81.57 117.65 51.55 2 0 52.21-999 ?-999 ?-999 ? O3 B3P B 371 mGLU.B 195 -80.44 118.98 56.67 -80.85 119.81 57.05 -80.76 116.56 56.42 -80.52 115.80 57.36 -79.85 117.76 56.12 -78.42 117.55 56.67 2 0 55.41-999 ?-999 ?-999 ? O3 B3P B 371 mASP.B 196 -81.81 116.41 55.61 -81.88 117.14 54.93 -82.09 113.94 55.95 -82.45 113.21 56.86 -82.77 115.30 55.72 -83.66 115.23 54.46 2 0 56.24-999 ?-999 ?-999 ? O3 B3P B 371 mVAL^B 197 -81.09 113.62 55.12 -80.79 114.36 54.53 -78.98 112.18 55.09 -78.34 112.66 54.17 -80.51 112.26 55.11 -81.04 111.45 53.91 3 0 53.86-999 ?-999 ?-999 ? O3 B3P B 371 mASP^B 198 -78.42 111.54 56.12 -79.07 111.27 56.83 -76.64 110.15 55.19 -77.19 109.05 55.28 -76.98 111.25 56.19 -76.58 110.78 57.59 2 0 52.61-999 ?-999 ?-999 ? O3 B3P B 371 mGLU^B 199 -75.73 110.43 54.26 -75.36 111.36 54.31 -73.83 109.25 53.18 -73.04 110.11 53.58 -75.34 109.44 53.27 -75.89 109.82 51.90 2 0 49.07-999 ?-999 ?-999 ? O3 B3P B 371 mVAL^B 200 -73.45 108.09 52.65 -74.19 107.43 52.53 -71.98 107.81 50.75 -72.67 107.04 50.06 -72.07 107.81 52.28 -71.57 106.47 52.86 3 0 46.37-999 ?-999 ?-999 ? O3 B3P B 371 mLYS^B 201 -71.14 108.71 50.24 -70.77 109.35 50.92 -69.61 107.80 48.62 -68.48 108.07 49.04 -70.79 108.75 48.84 -70.43 110.18 48.42 2 0 42.86-999 ?-999 ?-999 ? O3 B3P B 371 mILE^B 202 -69.89 106.67 47.98 -70.86 106.57 47.74 -68.41 105.88 46.21 -69.23 106.13 45.33 -68.86 105.68 47.67 -69.38 104.25 47.86 3 0 40.65-999 ?-999 ?-999 ? O3 B3P B 371 mGLU^B 203 -67.11 105.79 45.98 -66.57 105.60 46.80 -65.64 104.74 44.26 -65.01 104.11 45.11 -66.53 105.95 44.64 -65.68 107.22 44.55 2 0 36.88-999 ?-999 ?-999 ? O3 B3P B 371 mPHE^B 204 -65.59 104.46 42.97 -66.23 104.97 42.41 -64.51 103.63 40.94 -65.25 104.40 40.29 -64.67 103.46 42.45 -65.12 102.04 42.81 3 0 34.01-999 ?-999 ?-999 ? O3 B3P B 371 mMET^B 205 -63.54 102.91 40.39 -63.10 102.28 41.04 -63.70 101.86 38.19 -63.78 100.76 38.69 -63.16 103.02 38.99 -61.64 103.07 38.87 2 0 30.26-999 ?-999 ?-999 ? O3 B3P B 371 mILE^B 206 -64.11 102.14 36.96 -64.21 103.11 36.77 -63.73 101.44 34.66 -63.54 102.62 34.34 -64.37 101.08 36.00 -65.89 100.84 35.80 3 0 28.43-999 ?-999 ?-999 ? O3 B3P B 371 mASP^B 207 -63.39 100.42 33.89 -63.43 99.53 34.34 -64.26 101.00 31.73 -65.38 100.71 32.18 -63.01 100.61 32.49 -62.44 99.32 31.90 2 0 24.84-999 ?-999 ?-999 ? O3 B3P B 371 mALA.B 208 -64.07 101.62 30.56 -63.11 101.71 30.30 -66.23 101.03 29.35 -67.42 101.32 29.28 -65.20 102.11 29.76 -64.69 102.85 28.52 2 0 23.94-999 ?-999 ?-999 ? O3 B3P B 371 mTYR.B 209 -65.80 99.80 29.12 -64.83 99.65 29.29 -67.70 98.27 29.73 -68.73 97.66 29.42 -66.74 98.78 28.63 -66.00 97.61 27.95 3 0 24.71-999 ?-999 ?-999 ? O3 B3P B 371 mGLN~B 210 -67.36 98.54 31.00 -66.54 99.10 31.08 -69.37 98.91 32.53 -70.22 98.46 33.32 -68.15 98.06 32.15 -67.25 97.93 33.39 2 0 28.25-999 ?-999 ?-999 ? O3 B3P B 371 mLYS~B 211 -69.47 100.13 31.99 -68.76 100.33 31.32 -71.90 100.36 32.51 -72.50 100.35 33.57 -70.54 101.08 32.38 -70.61 102.26 31.40 2 0 29.65-999 ?-999 ?-999 ? O3 B3P B 371 mSER~B 212 -72.33 99.72 31.43 -71.69 99.73 30.66 -73.83 98.05 32.49 -74.88 97.99 33.12 -73.65 99.09 31.39 -73.93 98.47 30.02 2 0 31.62-999 ?-999 ?-999 ? O3 B3P B 371 mARG~B 213 -72.82 97.22 32.72 -72.02 97.35 32.12 -72.90 96.88 35.16 -73.61 96.43 36.05 -72.89 96.23 33.78 -71.75 95.23 33.69 2 0 33.09-999 ?-999 ?-999 ? O3 B3P B 371 mALA~B 214 -72.12 97.94 35.33 -71.56 98.19 34.53 -73.52 99.17 36.90 -74.02 98.96 38.01 -72.11 98.67 36.59 -71.12 99.82 36.53 2 0 33.99-999 ?-999 ?-999 ? O3 B3P B 371 mGLU~B 215 -74.14 99.83 35.92 -73.55 100.00 35.12 -76.50 99.13 36.47 -77.33 99.34 37.36 -75.56 100.25 36.00 -76.07 100.72 34.63 2 0 35.85-999 ?-999 ?-999 ? O3 B3P B 371 mGLN~B 216 -76.40 97.98 35.81 -75.74 98.00 35.06 -76.98 96.45 37.63 -77.93 96.44 38.43 -77.20 96.80 36.15 -76.84 95.61 35.24 2 0 37.67-999 ?-999 ?-999 ? O3 B3P B 371 mLEU~B 217 -75.72 96.20 37.99 -75.05 96.30 37.26 -75.80 96.86 40.40 -76.31 96.50 41.47 -75.39 95.81 39.36 -73.90 95.50 39.49 3 0 38.71-999 ?-999 ?-999 ? O3 B3P B 371 mILE~B 218 -75.60 98.14 40.10 -75.21 98.29 39.19 -77.44 99.23 41.33 -77.87 99.12 42.47 -75.93 99.20 41.06 -75.45 100.60 40.61 3 0 39.74-999 ?-999 ?-999 ? O3 B3P B 371 mLYS~B 219 -78.22 99.35 40.25 -77.71 99.46 39.40 -80.20 98.09 41.10 -81.11 98.19 41.92 -79.69 99.31 40.34 -80.34 99.36 38.95 2 0 41.89-999 ?-999 ?-999 ? O3 B3P B 371 mGLN~B 220 -79.57 96.94 40.84 -78.83 97.03 40.18 -79.73 95.65 42.99 -80.63 95.27 43.75 -79.95 95.68 41.47 -79.19 94.52 40.83 2 0 43.38-999 ?-999 ?-999 ? O3 B3P B 371 mTYR~B 221 -78.53 96.03 43.43 -77.92 96.42 42.73 -78.26 97.12 45.67 -77.89 97.10 46.84 -78.17 95.85 44.84 -76.78 95.23 44.98 3 0 44.49-999 ?-999 ?-999 ? O3 B3P B 371 mHIS~B 222 -78.77 98.22 45.11 -79.05 98.11 44.16 -80.10 99.44 46.87 -81.13 98.84 46.56 -78.89 99.47 45.88 -78.98 100.69 44.96 3 0 45.23-999 ?-999 ?-999 ? O3 B3P B 371 mPRO.B 223 -79.96 100.08 48.05 -79.02 100.38 48.25 -82.23 101.10 48.35 -83.36 100.63 48.40 -81.07 100.33 48.97 -80.42 101.15 50.08 3 0 48.90-999 ?-999 ?-999 ? O3 B3P B 371 mTYR.B 224 -81.96 102.28 47.78 -80.99 102.52 47.78 -83.78 102.38 46.10 -83.17 101.66 45.31 -83.02 103.12 47.22 -82.44 104.45 46.67 3 0 48.82-999 ?-999 ?-999 ? O3 B3P B 371 mGLU.B 225 -85.10 102.54 46.09 -85.46 102.97 46.92 -85.47 102.79 43.65 -85.33 102.13 42.62 -85.95 102.13 44.96 -87.42 102.49 45.24 2 0 49.41-999 ?-999 ?-999 ? O3 B3P B 371 mTHR.B 226 -85.24 104.10 43.71 -85.50 104.50 44.59 -83.26 105.39 42.99 -83.11 106.55 43.39 -84.67 104.87 42.61 -85.57 106.07 42.25 2 0 46.89-999 ?-999 ?-999 ? O3 B3P B 371 mPRO.B 227 -82.23 104.53 42.86 -82.43 103.68 42.37 -80.20 105.96 42.62 -80.36 106.02 41.40 -80.92 104.89 43.42 -80.16 103.56 43.38 3 0 44.65-999 ?-999 ?-999 ? O3 B3P B 371 mVAL.B 228 -79.41 106.78 43.30 -79.36 106.57 44.28 -77.21 107.51 42.44 -76.48 107.22 43.40 -78.68 107.89 42.68 -78.74 109.18 43.55 3 0 42.73-999 ?-999 ?-999 ? O3 B3P B 371 mPHE^B 229 -76.81 107.49 41.17 -77.51 107.78 40.53 -74.99 107.82 39.51 -75.81 108.14 38.64 -75.44 107.07 40.77 -75.34 105.55 40.56 3 0 39.05-999 ?-999 ?-999 ? O3 B3P B 371 mASP^B 230 -73.68 108.08 39.44 -73.15 107.68 40.19 -71.81 108.20 37.82 -71.04 107.61 38.57 -73.08 108.87 38.37 -72.67 110.26 38.86 2 0 35.90-999 ?-999 ?-999 ? O3 B3P B 371 mPHE^B 231 -71.62 108.32 36.51 -72.41 108.72 36.03 -69.74 109.18 35.31 -70.31 109.90 34.47 -70.40 107.93 35.83 -70.68 106.99 34.67 3 0 32.13-999 ?-999 ?-999 ? O3 B3P B 371 mILE^B 232 -68.55 109.44 35.83 -68.26 108.78 36.52 -66.61 110.08 34.59 -65.77 109.35 35.07 -67.75 110.59 35.44 -67.20 111.29 36.68 3 0 30.59-999 ?-999 ?-999 ? O3 B3P B 371 mGLU^B 233 -66.61 110.45 33.32 -67.41 110.98 33.04 -64.17 110.65 32.92 -64.06 111.82 33.28 -65.52 110.11 32.42 -65.79 110.63 31.02 2 0 26.82-999 ?-999 ?-999 ? O3 B3P B 371 mILE^B 234 -63.18 109.75 32.99 -63.49 108.83 32.76 -60.92 109.56 32.20 -61.06 108.40 31.78 -61.80 110.07 33.34 -61.36 109.30 34.62 3 0 25.44-999 ?-999 ?-999 ? O3 B3P B 371 mLYS^B 235 -60.01 110.39 31.71 -60.07 111.33 32.03 -57.71 109.81 31.49 -57.35 110.65 32.32 -59.03 109.94 30.76 -58.94 110.86 29.57 2 0 21.90-999 ?-999 ?-999 ? O3 B3P B 371 mGLN^B 236 -57.02 108.71 31.19 -57.50 108.10 30.57 -54.74 108.20 30.60 -55.11 107.62 29.59 -55.70 108.43 31.73 -55.72 107.14 32.56 2 0 21.07-999 ?-999 ?-999 ? O3 B3P B 371 mTHR^B 237 -53.49 108.60 30.80 -53.34 109.07 31.67 -52.12 106.90 29.82 -51.89 106.28 30.83 -52.44 108.37 29.86 -51.19 109.18 30.21 2 0 18.45-999 ?-999 ?-999 ? O3 B3P B 371 mSER^B 238 -52.13 106.34 28.61 -52.27 106.98 27.86 -50.46 104.60 28.56 -49.61 105.46 28.38 -51.94 104.93 28.42 -52.34 104.56 26.98 2 0 16.43-999 ?-999 ?-999 ? O3 B3P B 371 mLEU^B 239 -50.17 103.33 28.76 -50.97 102.76 28.99 -48.40 102.57 27.20 -47.22 102.36 26.95 -48.83 102.81 28.65 -48.68 101.53 29.50 3 0 16.36-999 ?-999 ?-999 ? C11 B3P B 371 mTYR^B 240 -49.38 102.57 26.28 -50.28 102.76 26.68 -48.99 103.65 24.13 -49.63 104.65 24.42 -49.19 102.33 24.86 -50.38 101.50 24.27 3 0 12.64-999 ?-999 ?-999 ? O3 B3P B 371 mGLY^B 241 -48.07 103.66 23.17 -47.56 102.81 23.06 -46.89 104.52 21.22 -46.05 103.63 21.35 -47.85 104.83 22.34-999.99-999.99-999.99 1 0 9.97-999 ?-999 ?-999 ? C11 B3P B 371 mLEU.B 242 -47.02 105.26 20.11 -47.77 105.93 20.17 -44.83 105.86 19.05 -44.75 107.10 18.97 -46.18 105.12 18.93 -46.92 105.58 17.67 3 0 -6.73-999 ?-999 ?-999 ? C11 B3P B 371s mGLY.B 243 -43.79 105.05 19.26 -44.05 104.09 19.36 -41.90 105.36 20.76 -42.65 105.15 21.72 -42.43 105.50 19.35-999.99-999.99-999.99 1 0 8.60-999 ?-999 ?-999 ? C9 B3P B 371 mVAL^B 244 -40.59 105.49 20.87 -40.12 105.45 19.98 -38.95 106.84 22.07 -38.44 107.21 20.99 -39.89 105.66 22.13 -39.06 104.39 22.53 3 0 12.12-999 ?-999 ?-999 ? C9 B3P B 371 mMET^B 245 -38.67 107.40 23.25 -39.29 107.13 23.99 -36.55 107.58 24.22 -36.91 106.92 25.18 -37.56 108.34 23.42 -37.97 109.63 24.19 2 0 14.98-999 ?-999 ?-999 ? C9 B3P B 371 mALA^B 246 -35.27 107.73 23.88 -35.12 108.30 23.07 -32.93 108.00 24.49 -32.97 109.04 23.85 -34.19 107.12 24.62 -33.94 105.74 24.07 2 0 17.55-999 ?-999 ?-999 ? C9 B3P B 371 mGLU^B 247 -31.84 107.56 25.12 -31.97 106.72 25.64 -29.39 107.36 24.77 -29.41 106.16 25.12 -30.57 108.28 25.04 -30.25 109.16 26.28 2 0 20.54-999 ?-999 ?-999 ? C9 B3P B 371 mVAL^B 248 -28.37 107.94 24.16 -28.56 108.86 23.81 -26.42 107.37 25.36 -26.77 108.26 26.16 -27.08 107.27 24.02 -26.20 107.85 22.91 3 0 22.40-999 ?-999 ?-999 ? C9 B3P B 371 mASP^B 249 -25.57 106.38 25.64 -25.53 105.67 24.93 -23.99 107.61 27.01 -24.01 108.25 28.07 -24.79 106.33 26.86 -23.79 105.17 26.81 2 0 25.51-999 ?-999 ?-999 ? ZN ZN B 402 mASN^B 250 -23.30 107.95 25.91 -23.46 107.33 25.15 -22.82 109.97 24.65 -22.91 109.45 23.59 -22.40 109.11 25.83 -20.97 108.59 25.61 2 0 27.55-999 ?-999 ?-999 ? C9 B3P B 371 mGLN^B 251 -23.11 111.26 24.87 -23.15 111.48 25.84 -22.36 112.02 22.65 -21.17 111.85 22.89 -23.35 112.26 23.80 -23.24 113.72 24.35 2 0 26.57-999 ?-999 ?-999 ? C9 B3P B 371 mMET^B 252 -22.85 111.94 21.42 -23.84 112.05 21.35 -22.47 112.52 19.07 -23.48 113.20 19.13 -22.00 111.70 20.27 -21.98 110.23 19.93 2 0 26.14-999 ?-999 ?-999 ? C9 B3P B 371 mTHR^B 253 -21.71 112.50 17.98 -20.91 111.91 18.04 -23.15 112.54 16.03 -23.21 111.31 16.05 -22.09 113.30 16.82 -20.88 113.64 15.91 2 0 25.59-999 ?-999 ?-999 ? O1 B3P B 371 mLEU~B 254 -24.00 113.28 15.33 -23.92 114.27 15.47 -24.39 111.65 13.48 -24.98 110.56 13.30 -24.98 112.72 14.44 -25.67 113.82 13.64 3 0 22.29-999 ?-999 ?-999 ? O1 B3P B 371 mGLU~B 255 -23.30 111.97 12.81 -22.92 112.88 13.01 -22.19 109.78 12.56 -22.36 108.68 12.06 -22.73 111.02 11.87 -21.64 111.64 11.02 2 0 23.35-999 ?-999 ?-999 ? O1 B3P B 371 mASP~B 256 -21.66 109.94 13.76 -21.64 110.89 14.08 -22.29 107.92 14.99 -22.17 106.70 14.98 -21.15 108.81 14.51 -20.30 109.27 15.70 2 0 24.51-999 ?-999 ?-999 ? O1 B3P B 371 mPHE~B 257 -23.38 108.55 15.43 -23.31 109.55 15.48 -25.16 107.06 14.63 -25.45 105.86 14.74 -24.58 107.82 15.81 -25.63 108.72 16.44 3 0 21.30-999 ?-999 ?-999 ? O1 B3P B 371 mALA~B 258 -25.30 107.73 13.49 -25.08 108.70 13.54 -24.89 105.82 11.92 -25.44 104.76 11.60 -25.75 107.06 12.27 -25.81 108.04 11.07 2 0 19.38-999 ?-999 ?-999 ? O1 B3P B 371 mALA~B 259 -23.57 105.96 12.01 -23.28 106.87 12.30 -22.80 103.71 12.65 -22.74 102.52 12.28 -22.66 104.84 11.68 -21.21 105.32 11.66 2 0 22.04-999 ?-999 ?-999 ? O1 B3P B 371 mASP~B 260 -22.93 104.07 13.92 -22.90 105.05 14.08 -24.33 102.20 14.78 -24.29 100.98 14.93 -23.08 103.06 14.97 -23.14 103.74 16.35 2 0 21.90-999 ?-999 ?-999 ? ZN ZN B 402 mILE~B 261 -25.45 102.84 14.48 -25.37 103.82 14.32 -26.75 101.32 13.03 -27.34 100.25 12.97 -26.68 102.10 14.38 -27.97 102.94 14.74 3 0 18.15-999 ?-999 ?-999 ? ZN ZN B 402 mLYS~B 262 -26.08 101.83 11.99 -25.71 102.75 12.15 -25.25 99.78 10.99 -25.73 98.74 10.51 -25.92 101.11 10.73 -25.08 101.92 9.72 2 0 18.33-999 ?-999 ?-999 ? ZN ZN B 401 mSER~B 263 -24.16 99.80 11.78 -23.87 100.71 12.10 -24.27 97.66 13.05 -24.40 96.45 12.79 -23.45 98.60 12.16 -22.11 99.02 12.81 2 0 20.81-999 ?-999 ?-999 ? ZN ZN B 401 mLYS~B 264 -24.91 98.21 14.07 -24.84 99.20 14.11 -26.85 96.68 14.39 -27.16 95.55 14.75 -25.65 97.39 15.03 -26.14 98.22 16.21 2 0 19.02-999 ?-999 ?-999 ? ZN ZN B 402 mLEU~B 265 -27.53 97.36 13.47 -27.21 98.29 13.30 -28.31 96.10 11.43 -29.23 95.66 10.72 -28.66 96.76 12.78 -29.76 97.82 12.56 3 0 15.91-999 ?-999 ?-999 ? ZN ZN B 402 mASN.B 266 -27.03 96.08 11.07 -26.44 96.51 11.76 -27.24 96.07 8.58 -27.74 95.33 7.72 -26.52 95.51 9.82 -26.66 93.99 9.88 2 0 17.82-999 ?-999 ?-999 ? ZN ZN B 401 mILE.B 267 -27.29 97.38 8.50 -26.80 97.87 9.22 -27.02 98.29 6.33 -25.89 98.80 6.60 -28.00 98.03 7.45 -28.63 99.36 7.96 3 0 16.09-999 ?-999 ?-999 ? ZN ZN B 401 mPRO.B 268 -27.41 98.00 5.07 -28.34 97.65 4.97 -26.16 99.66 3.67 -25.05 99.98 3.27 -26.49 98.20 3.95 -27.22 97.57 2.74 3 0 18.21-999 ?-999 ?-999 ? ZN ZN B 401 mSER.B 269 -27.11 100.54 3.94 -27.94 100.14 4.33 -27.83 102.71 4.64 -28.95 102.32 4.87 -26.94 101.96 3.67 -27.39 102.29 2.24 2 0 18.13-999 ?-999 ?-999 ? ZN ZN B 401 mVAL^B 270 -27.29 103.79 5.23 -26.31 103.91 5.06 -27.84 106.13 5.51 -26.80 106.41 4.91 -28.04 104.71 6.05 -27.58 104.56 7.53 3 0 17.20-999 ?-999 ?-999 ? O1 B3P B 371 mARG^B 271 -28.85 106.98 5.67 -29.69 106.57 6.03 -29.29 109.27 6.46 -30.26 108.89 7.18 -28.72 108.39 5.35 -29.40 108.71 3.99 2 0 17.53-999 ?-999 ?-999 ? O1 B3P B 371 mPHE^B 272 -28.67 110.43 6.65 -27.92 110.65 6.02 -29.23 112.71 7.19 -28.76 113.05 6.12 -29.07 111.30 7.69 -28.15 111.21 8.90 3 0 17.84-999 ?-999 ?-999 ? O1 B3P B 371 mVAL^B 273 -29.99 113.47 7.95 -30.37 113.00 8.74 -29.85 115.66 8.84 -30.37 115.43 9.94 -30.25 114.86 7.64 -31.76 115.10 7.32 3 0 17.97-999 ?-999 ?-999 ? ZN ZN A 402 mGLY.B 274 -28.96 116.63 8.63 -28.67 116.68 7.67 -26.95 117.63 9.62 -26.31 116.89 8.86 -28.47 117.52 9.71-999.99-999.99-999.99 1 0 20.62-999 ?-999 ?-999 ? ZN ZN A 402 mGLU.B 275 -26.38 118.56 10.37 -27.03 119.08 10.93 -24.30 117.51 10.94 -24.75 116.96 11.95 -24.94 118.80 10.38 -24.54 120.04 11.25 2 0 23.27-999 ?-999 ?-999 ? ZN ZN A 402 mSER.B 276 -23.28 117.02 10.25 -22.98 117.60 9.49 -22.03 115.72 11.97 -21.98 114.68 12.63 -22.68 115.73 10.58 -21.65 115.34 9.49 2 0 24.76-999 ?-999 ?-999 ? ZN ZN A 402 mASN.B 277 -21.60 116.89 12.44 -21.74 117.65 11.80 -21.96 117.52 14.85 -21.55 117.89 15.94 -20.98 117.05 13.76 -19.77 118.00 13.68 2 0 27.71-999 ?-999 ?-999 ? O1 B3P B 371 mGLN.B 278 -23.26 117.49 14.56 -23.46 117.20 13.62 -24.22 116.91 16.73 -24.14 115.69 16.56 -24.27 117.86 15.53 -25.64 117.78 14.81 2 0 25.65-999 ?-999 ?-999 ? C9 B3P B 371 mLYS^B 279 -24.24 117.45 17.93 -24.28 118.45 17.95 -25.60 116.05 19.41 -26.56 116.80 19.46 -24.21 116.62 19.11 -23.79 117.41 20.30 2 0 25.86-999 ?-999 ?-999 ? C9 B3P B 371 mILE^B 280 -25.66 114.76 19.68 -24.75 114.35 19.80 -26.83 113.37 21.19 -25.86 112.74 21.54 -26.87 113.98 19.80 -26.83 112.79 18.75 3 0 22.67-999 ?-999 ?-999 ? C9 B3P B 371 mLYS^B 281 -27.90 113.50 21.97 -28.57 114.17 21.64 -29.36 111.95 23.27 -29.37 110.75 23.63 -28.04 112.72 23.19 -27.93 113.65 24.39 2 0 22.72-999 ?-999 ?-999 ? C9 B3P B 371 mARG^B 282 -30.47 112.66 23.02 -30.30 113.62 22.80 -32.30 111.76 21.66 -32.23 112.58 20.76 -31.79 112.08 23.07 -32.76 113.02 23.80 2 0 19.67-999 ?-999 ?-999 ? C9 B3P B 371 mILE^B 283 -32.85 110.56 21.52 -33.00 110.09 22.39 -34.68 109.55 20.30 -35.12 108.87 21.20 -33.21 109.95 20.27 -32.31 108.71 20.09 3 0 16.20-999 ?-999 ?-999 ? C9 B3P B 371 mALA^B 284 -35.47 109.99 19.33 -35.05 110.68 18.74 -36.79 108.47 18.03 -36.15 108.72 17.00 -36.83 109.49 19.17 -37.78 110.64 18.83 2 0 12.82-999 ?-999 ?-999 ? C9 B3P B 371 mILE^B 285 -37.50 107.37 18.19 -38.02 107.36 19.05 -38.94 105.84 16.90 -39.69 105.50 17.80 -37.52 106.27 17.21 -36.79 105.03 17.71 3 0 9.99-999 ?-999 ?-999 ? C9 B3P B 371 mILE.B 286 -39.30 105.91 15.62 -38.67 106.43 15.04 -40.11 104.39 13.92 -39.83 104.85 12.82 -40.51 105.27 15.11 -41.65 106.23 14.73 3 0 6.21-999 ?-999 ?-999 ? C9 B3P B 371 mGLY.B 287 -40.04 103.10 14.17 -40.28 102.81 15.10 -40.71 102.12 12.06 -41.86 102.26 12.38 -39.64 102.20 13.09-999.99-999.99-999.99 1 0 -5.68-999 ?-999 ?-999 ? O1 B3P B 371s mGLY.B 288 -40.32 101.88 10.81 -39.33 101.78 10.71 -41.25 103.07 8.89 -40.26 103.37 8.19 -41.26 101.79 9.71-999.99-999.99-999.99 1 0 -3.59-999 ?-999 ?-999 ? O1 B3P B 371s mSER.B 289 -42.36 103.75 8.92 -43.06 103.33 9.50 -43.17 106.00 9.13 -44.40 106.10 9.20 -42.54 105.00 8.17 -43.46 104.82 6.97 2 0 -3.67-999 ?-999 ?-999 ? O1 B3P B 371s mGLY.B 290 -42.34 106.73 9.87 -41.37 106.59 9.65 -42.78 109.11 10.64 -43.04 109.94 11.51 -42.85 107.65 10.92-999.99-999.99-999.99 1 0 4.65-999 ?-999 ?-999 ? C9 B3P B 371 mILE.B 291 -42.47 109.46 9.39 -42.28 108.71 8.75 -43.84 111.39 9.22 -44.81 110.70 8.89 -42.42 110.85 9.03 -41.84 111.11 7.60 3 0 8.05-999 ?-999 ?-999 ? C9 B3P B 371 mGLY.B 292 -43.92 112.60 9.78 -43.05 113.09 9.83 -45.01 113.42 11.77 -45.66 114.30 12.28 -45.16 113.16 10.27-999.99-999.99-999.99 1 0 9.39-999 ?-999 ?-999 ? N2 B3P B 371 mTYR~B 293 -44.13 112.68 12.44 -43.63 112.04 11.85 -42.65 113.53 14.29 -42.41 113.77 15.48 -43.92 112.81 13.91 -43.94 111.42 14.61 3 0 9.47-999 ?-999 ?-999 ? C11 B3P B 371 mGLU~B 294 -41.84 113.93 13.30 -42.22 113.82 12.38 -40.53 115.80 14.34 -39.69 116.03 15.24 -40.50 114.47 13.61 -39.59 114.54 12.37 2 0 11.97-999 ?-999 ?-999 ? C9 B3P B 371 mTYR~B 295 -41.46 116.67 13.96 -42.06 116.35 13.23 -41.99 117.85 16.07 -41.46 118.52 16.96 -41.55 117.99 14.60 -42.44 118.94 13.77 3 0 15.09-999 ?-999 ?-999 ? C9 B3P B 371 mGLN~B 296 -42.95 116.96 16.31 -43.29 116.51 15.49 -42.35 115.99 18.52 -42.13 116.36 19.67 -43.43 116.66 17.66 -44.67 115.81 17.54 2 0 14.15-999 ?-999 ?-999 ? C11 B3P B 371 mALA~B 297 -41.57 115.10 17.90 -41.85 114.89 16.96 -39.44 115.55 19.04 -38.97 115.50 20.20 -40.42 114.50 18.56 -39.73 113.50 17.66 2 0 13.80-999 ?-999 ?-999 ? C9 B3P B 371 mVAL~B 298 -39.15 116.53 18.18 -39.57 116.46 17.27 -38.90 118.41 19.77 -38.23 118.70 20.75 -38.26 117.62 18.62 -37.79 118.48 17.45 3 0 17.15-999 ?-999 ?-999 ? C9 B3P B 371 mGLN~B 299 -40.20 118.70 19.68 -40.63 118.42 18.83 -40.80 118.50 22.07 -40.74 119.02 23.15 -40.89 119.38 20.79 -42.40 119.59 20.52 2 0 18.58-999 ?-999 ?-999 ? C11 B3P B 371 mGLN~B 300 -40.82 117.18 21.93 -40.87 116.88 20.97 -39.30 116.14 23.63 -39.07 115.47 24.62 -40.76 116.26 23.07 -41.33 114.89 22.66 2 0 17.48-999 ?-999 ?-999 ? C11 B3P B 371 mGLY.B 301 -38.31 116.80 23.00 -38.62 117.29 22.18 -35.91 115.99 22.63 -34.72 115.89 22.97 -36.91 116.79 23.47-999.99-999.99-999.99 1 0 19.64-999 ?-999 ?-999 ? C9 B3P B 371 mALA.B 302 -36.34 115.40 21.52 -37.32 115.53 21.34 -34.36 115.54 20.02 -34.68 116.60 19.56 -35.41 114.66 20.68 -36.18 113.88 19.61 2 0 17.39-999 ?-999 ?-999 ? C9 B3P B 371 mASP.B 303 -33.12 115.08 20.00 -32.99 114.31 20.62 -32.06 115.13 17.71 -31.50 115.78 16.81 -32.07 115.66 19.15 -30.67 115.41 19.76 2 0 19.40-999 ?-999 ?-999 ? C9 B3P B 371 mVAL^B 304 -32.68 113.95 17.51 -33.08 113.55 18.33 -33.97 112.37 16.23 -34.35 111.82 17.29 -32.77 113.32 16.20 -31.43 112.55 15.83 3 0 16.47-999 ?-999 ?-999 ? C9 B3P B 371 mPHE^B 305 -34.62 112.29 15.07 -34.25 112.88 14.36 -35.29 110.35 13.89 -34.86 110.62 12.79 -35.73 111.46 14.83 -36.87 112.24 14.23 3 0 12.75-999 ?-999 ?-999 ? C9 B3P B 371 mVAL^B 306 -35.41 109.11 14.35 -35.83 109.06 15.26 -36.18 107.18 13.09 -37.10 106.82 13.87 -34.98 107.93 13.61 -34.16 106.97 14.50 3 0 11.30-999 ?-999 ?-999 ? O1 B3P B 371 mTHR^B 307 -36.20 106.95 11.77 -35.40 107.28 11.27 -36.89 105.65 9.80 -35.69 105.59 9.51 -37.32 106.26 11.14 -38.54 107.22 10.98 2 0 8.03-999 ?-999 ?-999 ? O1 B3P B 371 mGLY.B 308 -37.85 105.19 9.02 -38.75 105.22 9.44 -38.44 105.42 6.63 -39.27 106.26 6.99 -37.60 104.71 7.65-999.99-999.99-999.99 1 0 7.72-999 ?-999 ?-999 ? O1 B3P B 371 mASP.B 309 -38.20 105.09 5.35 -37.42 104.46 5.27 -38.98 107.12 4.12 -40.00 107.70 3.80 -38.96 105.58 4.17 -40.43 105.08 4.20 2 0 8.80-999 ?-999 ?-999 ? O1 B3P B 371 mILE.B 310 -37.86 107.78 4.43 -37.09 107.21 4.69 -37.69 109.68 2.89 -36.85 109.15 2.14 -37.83 109.25 4.36 -36.72 109.86 5.22 3 0 11.05-999 ?-999 ?-999 ? O1 B3P B 371 mLYS~B 311 -38.57 110.58 2.48 -39.24 110.83 3.18 -37.94 112.54 1.06 -37.84 113.26 2.06 -38.57 111.14 1.14 -39.98 111.19 0.59 2 0 10.48-999 ?-999 ?-999 ? ZN ZN A 402 mHIS~B 312 -37.47 112.86 -0.14 -37.66 112.17 -0.84 -37.34 115.36 0.20 -36.66 116.06 0.94 -36.75 114.12 -0.42 -36.67 114.32 -1.94 3 0 8.18-999 ?-999 ?-999 ? ZN ZN A 402 mHIS~B 313 -38.60 115.67 -0.13 -39.09 114.99 -0.67 -39.34 116.99 1.80 -39.20 118.05 2.39 -39.17 116.93 0.29 -40.48 117.25 -0.44 3 0 8.21-999 ?-999 ?-999 ? ZN ZN A 402 mASP~B 314 -39.63 115.86 2.43 -39.78 115.05 1.86 -38.33 116.05 4.57 -38.23 116.73 5.60 -39.70 115.87 3.89 -40.38 114.62 4.43 2 0 11.00-999 ?-999 ?-999 ? O4 B3P A 371 mALA~B 315 -37.31 115.44 3.98 -37.57 114.84 3.22 -35.50 117.11 4.21 -34.83 117.69 5.06 -35.93 115.64 4.42 -34.97 114.71 3.67 2 0 12.76-999 ?-999 ?-999 ? ZN ZN A 402 mLEU~B 316 -35.82 117.66 3.04 -36.25 117.03 2.39 -36.17 120.02 3.81 -35.52 120.91 4.33 -35.55 119.08 2.76 -36.06 119.46 1.36 3 0 11.56-999 ?-999 ?-999 ? ZN ZN A 402 mASP~B 317 -37.45 119.83 4.09 -37.88 119.14 3.51 -37.46 120.44 6.49 -37.17 121.46 7.17 -38.16 120.57 5.13 -39.61 120.08 5.26 2 0 13.42-999 ?-999 ?-999 ? O4 B3P A 371 mALA~B 318 -37.18 119.20 6.88 -37.48 118.49 6.24 -35.13 119.68 8.23 -34.87 120.37 9.23 -36.48 118.93 8.15 -36.28 117.41 8.35 2 0 16.39-999 ?-999 ?-999 ? O4 B3P A 371 mLYS~B 319 -34.35 119.61 7.16 -34.72 119.07 6.40 -33.20 121.79 7.36 -32.52 122.38 8.24 -33.05 120.28 7.11 -32.33 120.04 5.78 2 0 16.66-999 ?-999 ?-999 ? ZN ZN A 402 mILE~B 320 -34.09 122.42 6.61 -34.63 121.85 5.99 -34.74 124.28 8.12 -34.38 125.32 8.64 -34.23 123.87 6.73 -35.10 124.46 5.59 3 0 17.14-999 ?-999 ?-999 ? ZN ZN A 402 mHIS~B 321 -35.54 123.43 8.76 -35.78 122.60 8.25 -35.09 123.23 11.21 -35.39 123.39 12.36 -36.02 123.73 10.09 -37.41 123.15 10.28 3 0 19.31-999 ?-999 ?-999 ? O4 B3P A 371 mGLY~B 322 -33.95 122.65 10.86 -33.79 122.58 9.88 -33.48 120.87 12.54 -32.98 120.55 13.62 -33.03 122.15 11.86-999.99-999.99-999.99 1 0 21.47-999 ?-999 ?-999 ? ZN ZN A 402 mVAL.B 323 -34.42 120.14 11.96 -34.78 120.51 11.11 -33.91 117.78 12.04 -33.78 117.55 10.82 -34.85 118.89 12.56 -36.34 118.58 12.27 3 0 18.44-999 ?-999 ?-999 ? C9 B3P B 371 mASN.B 324 -33.20 117.11 12.94 -33.36 117.35 13.90 -32.95 114.73 12.30 -33.75 114.30 13.12 -32.29 116.11 12.51 -31.13 115.98 13.50 2 0 17.98-999 ?-999 ?-999 ? C9 B3P B 371 mLEU^B 325 -32.63 114.07 11.20 -31.94 114.52 10.63 -32.20 111.74 10.56 -31.12 112.09 10.11 -33.26 112.78 10.87 -34.15 112.90 9.65 3 0 15.02-999 ?-999 ?-999 ? O1 B3P B 371 mILE^B 326 -32.53 110.49 10.86 -33.30 110.42 11.50 -32.87 108.37 9.72 -33.83 107.94 10.38 -31.84 109.33 10.32 -30.94 108.55 11.35 3 0 14.27-999 ?-999 ?-999 ? O1 B3P B 371 mASP^B 327 -32.65 108.02 8.46 -31.94 108.58 8.01 -32.59 105.66 7.95 -31.58 105.43 7.30 -33.35 106.95 7.78 -33.51 107.30 6.30 2 0 12.22-999 ?-999 ?-999 ? O1 B3P B 371 mILE.B 328 -33.11 104.78 8.81 -33.91 105.12 9.31 -33.19 102.39 8.08 -32.85 101.18 8.15 -32.53 103.45 9.00 -32.63 102.96 10.43 3 0 12.15-999 ?-999 ?-999 ? O1 B3P B 371 mASN~B 329 -34.10 102.88 7.23 -34.16 103.88 7.27 -36.09 101.43 7.08 -36.02 101.16 8.30 -34.93 102.08 6.34 -34.09 101.07 5.53 2 0 9.98-999 ?-999 ?-999 ? ZN ZN B 401 mHIS~B 330 -37.21 101.32 6.40 -37.16 101.69 5.47 -38.07 99.26 7.29 -38.54 98.74 8.33 -38.40 100.71 6.95 -39.47 100.78 5.88 3 0 -6.23-999 ?-999 ?-999 ? ZN ZN B 401s mTYR~B 331 -37.26 98.61 6.42 -36.96 99.14 5.63 -36.24 96.96 8.03 -36.29 95.81 8.51 -36.87 97.24 6.65 -35.97 96.69 5.52 3 0 7.65-999 ?-999 ?-999 ? ZN ZN B 401 mSER~B 332 -35.68 97.97 8.70 -35.65 98.84 8.21 -36.21 97.35 11.07 -35.82 96.87 12.12 -35.18 97.79 10.03 -34.39 98.97 10.52 2 0 8.96-999 ?-999 ?-999 ? ZN ZN B 401 mGLU~B 333 -37.50 97.42 10.76 -37.71 97.97 9.96 -38.26 95.18 11.68 -38.87 94.52 12.53 -38.49 96.70 11.59 -39.89 96.98 11.09 2 0 6.38-999 ?-999 ?-999 ? ZN ZN B 402s mTYR~B 334 -37.35 94.63 10.86 -36.91 95.27 10.24 -36.59 92.71 12.27 -36.64 91.52 12.56 -37.08 93.17 10.92 -36.04 92.72 9.85 3 0 9.15-999 ?-999 ?-999 ? ZN ZN B 401 mVAL~B 335 -36.14 93.64 13.12 -36.11 94.57 12.76 -36.88 92.64 15.24 -36.64 92.00 16.25 -35.74 93.28 14.48 -35.19 94.52 15.33 3 0 10.53-999 ?-999 ?-999 ? ZN ZN B 402 mMET~B 336 -38.13 92.82 14.83 -38.25 93.36 14.00 -39.31 90.70 15.48 -40.05 90.06 16.22 -39.21 92.23 15.64 -40.58 92.91 15.44 2 0 9.04-999 ?-999 ?-999 ? ZN ZN B 402 mLYS~B 337 -38.60 90.10 14.53 -38.03 90.69 13.97 -38.07 87.99 15.59 -38.70 87.22 16.30 -38.72 88.65 14.37 -38.04 88.18 13.06 2 0 11.87-999 ?-999 ?-999 ? ZN ZN B 402 mGLU~B 338 -36.80 88.28 15.83 -36.36 88.85 15.14 -36.74 88.39 18.28 -36.88 87.69 19.28 -36.13 87.80 17.02 -34.62 88.12 17.02 2 0 14.58-999 ?-999 ?-999 ? ZN ZN B 402 mGLY~B 339 -37.14 89.65 18.25 -37.01 90.13 17.38 -39.02 89.57 19.84 -39.28 89.33 21.02 -37.72 90.24 19.44-999.99-999.99-999.99 1 0 13.00-999 ?-999 ?-999 ? ZN ZN B 402 mLEU~B 340 -39.88 89.31 18.88 -39.58 89.57 17.96 -40.98 87.22 19.54 -41.69 86.69 20.43 -41.17 88.70 19.18 -42.15 88.84 18.02 3 0 12.65-999 ?-999 ?-999 ? ZN ZN B 402 mLYS~B 341 -40.00 86.56 18.91 -39.54 87.07 18.18 -39.29 85.14 20.76 -39.76 84.27 21.48 -39.65 85.20 19.28 -38.52 84.63 18.47 2 0 16.03-999 ?-999 ?-999 ? ZN ZN B 402 mTHR~B 342 -38.44 86.07 21.21 -38.13 86.72 20.51 -39.23 86.33 23.54 -39.46 85.60 24.50 -38.03 86.10 22.61 -36.92 87.16 22.84 2 0 17.56-999 ?-999 ?-999 ? ZN ZN B 402 mLEU~B 343 -40.03 87.33 23.21 -39.73 87.86 22.42 -42.11 86.33 24.08 -42.51 85.91 25.16 -41.24 87.59 23.98 -42.04 88.72 23.37 3 0 16.48-999 ?-999 ?-999 ? ZN ZN B 402 mLEU~B 344 -42.42 85.74 22.93 -41.96 86.12 22.13 -42.82 83.39 23.66 -43.59 82.70 24.35 -43.35 84.61 22.91 -43.72 84.24 21.48 3 0 17.74-999 ?-999 ?-999 ? ZN ZN B 402 mMET~B 345 -41.53 83.12 23.53 -41.05 83.71 22.88 -41.05 82.27 25.80 -41.28 81.33 26.56 -40.91 82.03 24.29 -39.43 81.86 23.93 2 0 20.91-999 ?-999 ?-999 ? ZN ZN B 402 mASN~B 346 -40.92 83.52 26.21 -40.68 84.17 25.49 -42.57 83.72 28.05 -42.84 83.15 29.12 -41.12 83.89 27.61 -40.70 85.35 27.86 2 0 21.60-999 ?-999 ?-999 ? ZN ZN B 402 mTRP~B 347 -43.50 84.23 27.24 -43.15 84.70 26.43 -45.31 82.58 27.64 -46.10 82.16 28.53 -44.93 84.07 27.57 -45.82 84.78 26.55 3 0 21.20-999 ?-999 ?-999 ? ZN ZN B 402 mPHE~B 348 -44.76 81.78 26.73 -44.17 82.23 26.06 -44.42 79.67 27.97 -45.01 78.75 28.49 -45.03 80.36 26.73 -44.46 79.67 25.49 3 0 23.41-999 ?-999 ?-999 ? ZN ZN B 402 mASN~B 349 -43.23 80.10 28.39 -42.82 80.82 27.82 -43.52 79.78 30.78 -43.89 78.84 31.45 -42.59 79.56 29.58 -41.24 80.20 29.85 2 0 25.91-999 ?-999 ?-999 ? ZN ZN B 402 mILE~B 350 -43.94 81.01 30.98 -43.55 81.68 30.36 -46.10 80.39 32.00 -46.53 79.93 33.02 -44.90 81.32 32.03 -45.41 82.78 31.95 3 0 26.33-999 ?-999 ?-999 ? ZN ZN B 402 mGLU~B 351 -46.65 80.08 30.84 -46.16 80.43 30.04 -47.59 77.81 30.76 -48.51 77.03 30.61 -47.87 79.30 30.81 -48.67 79.65 29.54 2 0 27.08-999 ?-999 ?-999 ? ZN ZN B 402 mLYS.B 352 -46.31 77.45 30.81 -45.70 78.22 31.01 -46.31 75.46 29.28 -46.88 74.37 29.26 -45.85 76.08 30.61 -46.24 75.21 31.82 2 0 29.20-999 ?-999 ?-999 ? ZN ZN B 402 mILE.B 353 -46.01 76.14 28.17 -45.51 76.99 28.34 -45.10 75.32 26.11 -44.14 76.11 26.15 -46.39 75.68 26.83 -47.15 76.83 26.09 3 0 27.38-999 ?-999 ?-999 ? ZN ZN B 402 mASN.B 354 -45.07 74.15 25.48 -45.96 73.70 25.39 -43.56 73.82 23.46 -42.50 73.41 22.92 -43.81 73.60 24.95 -43.67 72.11 25.28 2 0 28.22-999 ?-999 ?-999 ? ZN ZN B 402 mILE.B 355 -44.45 74.59 22.85 -45.11 75.01 23.47 -43.25 75.63 21.02 -42.96 76.64 21.62 -44.46 74.81 21.43 -45.79 75.50 21.05 3 0 25.70-999 ?-999 ?-999 ? ZN ZN B 402 mASP.B 356 -42.57 75.19 19.97 -42.95 74.35 19.59 -41.77 77.19 18.78 -42.79 77.27 18.09 -41.40 75.87 19.42 -40.77 75.04 18.31 2 0 24.24-999 ?-999 ?-999 ? ZN ZN B 402 mVAL^B 357 -40.88 78.18 18.93 -40.13 77.98 19.56 -39.65 79.71 17.61 -38.60 79.47 18.22 -41.00 79.44 18.27 -41.35 80.55 19.25 3 0 20.58-999 ?-999 ?-999 ? ZN ZN B 402 mGLU^B 358 -39.66 80.13 16.35 -40.57 80.18 15.94 -38.64 81.75 14.91 -39.72 81.97 14.36 -38.40 80.47 15.66 -38.02 79.37 14.66 2 0 19.63-999 ?-999 ?-999 ? ZN ZN B 402 mALA^B 359 -37.63 82.60 14.87 -36.85 82.35 15.46 -37.24 83.36 12.60 -36.24 82.67 12.42 -37.64 83.77 14.06 -36.65 84.75 14.63 2 0 16.63-999 ?-999 ?-999 ? ZN ZN B 402 mSER.B 360 -38.06 83.69 11.60 -38.92 84.11 11.90 -36.35 84.13 9.89 -36.14 85.29 10.21 -37.68 83.46 10.19 -38.72 84.03 9.19 2 0 16.65-999 ?-999 ?-999 ? ZN ZN B 401 mTHR.B 361 -35.45 83.36 9.29 -35.79 82.43 9.11 -34.08 84.44 7.55 -33.05 84.95 7.15 -34.12 83.79 8.93 -33.15 82.55 8.87 2 0 17.97-999 ?-999 ?-999 ? ZN ZN B 401 mILE.B 362 -35.18 84.41 6.81 -35.99 84.01 7.25 -35.07 86.47 5.44 -35.85 87.14 6.08 -35.15 84.93 5.45 -36.35 84.40 4.67 3 0 16.81-999 ?-999 ?-999 ? ZN ZN B 401 mASN.B 363 -34.12 87.03 4.70 -33.42 86.40 4.35 -35.16 88.75 3.37 -34.99 88.37 2.24 -34.13 88.45 4.45 -32.73 88.94 4.03 2 0 14.99-999 ?-999 ?-999 ? ZN ZN B 401 mTHR.B 364 -36.23 89.45 3.72 -36.18 89.85 4.63 -37.36 91.10 2.37 -38.35 91.57 1.91 -37.37 89.63 2.86 -38.73 89.39 3.67 2 0 12.83-999 ?-999 ?-999 ? ZN ZN B 401 mASP.B 365 -36.24 91.82 2.51 -35.47 91.33 2.92 -36.35 93.16 0.57 -35.62 92.44 -0.08 -36.18 93.20 2.08 -34.85 93.86 2.40 2 0 11.80-999 ?-999 ?-999 ? ZN ZN B 401 mPRO.B 366 -37.33 93.89 0.02 -37.95 94.34 0.66 -36.24 94.70 -2.12 -35.94 94.47 -3.26 -37.43 93.98 -1.44 -38.77 94.74 -1.63 3 0 13.16-999 ?-999 ?-999 ? ZN ZN B 401 mPHE.B 367 -35.56 95.57 -1.38 -35.89 95.67 -0.44 -33.15 95.47 -1.73 -32.91 94.85 -0.71 -34.45 96.29 -1.86 -34.27 97.59 -1.09 3 0 14.61-999 ?-999 ?-999 ? ZN ZN B 401 mGLN^B 368 -32.35 95.52 -2.80 -32.83 95.77 -3.63 -30.11 96.51 -3.04 -30.37 97.24 -4.00 -30.92 95.22 -2.74 -30.61 94.07 -3.71 2 0 17.88-999 ?-999 ?-999 ? ZN ZN B 401 mTYR^B 369 -29.13 96.79 -2.17 -28.99 96.08 -1.48 -27.00 97.75 -2.87 -26.39 96.69 -2.72 -28.32 97.97 -2.19 -28.03 98.45 -0.76 3 0 19.23-999 ?-999 ?-999 ? ZN ZN B 401 mILE.B 370 -26.58 98.74 -3.64 -27.23 99.49 -3.74 -24.59 100.08 -4.24 -23.46 100.15 -4.71 -25.28 98.72 -4.27 -25.38 98.23 -5.73 3 0 22.54-999 ?-999 ?-999 ? O1 B3P A 371