HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 25-MAY-04 1WEK COMPND HYPOTHETICAL PROTEIN TT1465; COMPND 3 CHAIN: A, B, C, D, E, F; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS THERMOPHILUS; SOURCE 3 ORGANISM_TAXID: 274; SOURCE 4 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3); SOURCE 5 EXPRESSION_SYSTEM_TAXID: 469008; SOURCE 6 EXPRESSION_SYSTEM_STRAIN: BL21(DE3); SOURCE 7 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 8 EXPRESSION_SYSTEM_PLASMID: PET11B AUTHOR M.KUKIMOTO-NIINO,K.MURAYAMA,M.KATO-MURAYAMA,T.TERADA,M.SHIROUZU, AUTHOR 2 S.KURAMITSU,S.YOKOYAMA,RIKEN STRUCTURAL GENOMICS/PROTEOMICS AUTHOR 3 INITIATIVE (RSGI) HET MSE A 81 8 HET MSE B 81 8 HET MSE C 81 8 HET MSE D 81 8 HET MSE E 81 8 HET MSE F 81 8 HET PO4 A 501 5 HET PO4 F 502 5 HET PO4 B 503 5 HET PO4 E 504 5 HET PO4 C 505 5 HET PO4 D 506 5 HET PO4 C 507 5 HET PO4 D 508 5 HET PO4 E 509 5 HET PO4 F 510 5 HET PO4 C 511 5 HET PO4 D 512 5 SITE 1 AC1 11 SER A 45 ALA A 46 GLY A 140 GLY A 141 SITE 1 AC2 11 HOH E 516 PHE F 43 SER F 45 ALA F 46 SITE 1 AC3 13 HOH A 531 GLY B 44 SER B 45 ALA B 46 SITE 1 AC4 10 SER E 45 ALA E 46 GLY E 141 PHE E 142 SITE 1 AC5 10 SER C 45 ALA C 46 GLY C 141 PHE C 142 SITE 1 AC6 12 HOH C 542 PHE D 43 SER D 45 ALA D 46 SITE 1 AC7 7 PHE C 29 SER C 33 ARG C 130 TYR C 131 SITE 1 AC8 6 HIS C 12 GLU D 30 GLU D 34 HOH D 548 SITE 1 AC9 6 HIS E 11 HIS E 12 HOH E 517 PHE F 29 SITE 1 BC1 5 ARG E 130 TYR E 131 HIS F 11 HIS F 12 SITE 1 BC2 6 LEU C 10 HIS C 11 HIS C 12 GLU C 13 SITE 1 BC3 7 GLN D 9 TRP D 16 ARG D 17 GLU E 30 mPRO~A 5 55.71 -41.11 99.79 55.04 -41.80 99.52 57.03 -39.10 99.06 56.34 -39.06 98.04 56.71 -40.08 100.19 57.96 -40.83 100.63 3 0 8.60-999 ?-999 ?-999 ? O3 PO4 C 511 mLEU~A 6 58.08 -38.32 99.26 58.54 -38.44 100.15 59.59 -38.04 97.43 59.94 -37.57 96.35 58.52 -37.36 98.26 59.10 -36.10 98.92 3 0 7.61-999 ?-999 ?-999 ? O3 PO4 C 511 mILE~A 7 60.11 -39.15 97.95 59.74 -39.40 98.84 60.69 -40.27 95.83 61.48 -40.24 94.89 61.15 -39.90 97.25 61.51 -41.19 98.03 3 0 8.96-999 ?-999 ?-999 ? O3 PO4 C 511 mASP~A 8 59.41 -40.62 95.70 58.91 -40.61 96.56 58.73 -39.72 93.55 59.07 -39.73 92.36 58.82 -40.97 94.42 57.42 -41.54 94.65 2 0 12.28-999 ?-999 ?-999 ? O3 PO4 C 511 mGLN~A 9 58.28 -38.63 94.16 58.04 -38.79 95.12 59.50 -36.88 92.96 59.62 -36.53 91.78 58.13 -37.33 93.51 57.60 -36.34 94.54 2 0 11.97-999 ?-999 ?-999 ? O3 PO4 C 511 mLEU~A 10 60.51 -36.87 93.82 60.28 -37.16 94.75 62.32 -37.39 92.27 63.04 -36.96 91.36 61.85 -36.48 93.39 62.84 -36.54 94.56 3 0 11.33-999 ?-999 ?-999 ? O3 PO4 C 511 mHIS~A 11 61.90 -38.65 92.33 61.32 -38.86 93.11 61.69 -39.28 89.95 62.39 -39.31 88.94 62.28 -39.63 91.31 61.83 -41.03 91.73 3 0 12.07-999 ?-999 ?-999 ? O4 PO4 E 509 mHIS~A 12 60.40 -38.94 89.93 59.95 -38.95 90.82 60.33 -37.30 88.10 60.37 -37.11 86.89 59.74 -38.59 88.67 58.23 -38.43 88.91 3 0 15.29-999 ?-999 ?-999 ? O4 PO4 E 509 mGLU~A 13 60.81 -36.42 88.98 60.71 -36.68 89.94 62.74 -35.51 87.82 63.19 -34.77 86.94 61.42 -35.17 88.53 61.64 -34.23 89.70 2 0 16.09-999 ?-999 ?-999 ? O3 PO4 C 511 mASP~A 14 63.36 -36.62 88.23 62.90 -37.08 88.99 65.61 -35.97 87.42 66.08 -35.74 86.32 64.60 -37.09 87.61 64.24 -37.70 86.25 2 0 13.15-999 ?-999 ?-999 ? O1 PO4 E 509 mSER.A 15 65.92 -35.26 88.50 65.49 -35.58 89.35 68.32 -34.43 88.50 69.14 -33.56 88.22 66.84 -34.13 88.43 66.50 -33.11 89.50 2 0 13.73-999 ?-999 ?-999 ? O1 PO4 E 509 mTRP~A 16 68.67 -35.65 88.90 67.91 -36.26 89.12 70.68 -35.95 87.59 71.91 -36.00 87.43 70.06 -36.04 88.99 70.19 -37.46 89.55 3 0 10.53-999 ?-999 ?-999 ? O1 PO4 E 509 mARG~A 17 69.84 -35.82 86.57 68.87 -35.82 86.82 71.11 -34.37 85.04 72.00 -34.27 84.21 70.36 -35.69 85.22 69.22 -35.77 84.22 2 0 12.26-999 ?-999 ?-999 ? O1 PO4 E 509 mLEU~A 18 70.74 -33.37 85.85 70.03 -33.62 86.50 72.81 -31.96 86.14 73.50 -31.02 85.74 71.33 -32.04 85.77 70.53 -31.08 86.65 3 0 14.91-999 ?-999 ?-999 ? O1 PO4 E 509 mPHE~A 19 73.30 -32.92 86.91 72.63 -33.62 87.18 75.53 -33.00 86.02 76.40 -32.18 85.80 74.69 -32.93 87.30 75.00 -34.14 88.19 3 0 13.32-999 ?-999 ?-999 ? O1 PO4 E 509 mARG~A 20 75.21 -33.97 85.17 74.46 -34.56 85.46 75.73 -32.94 82.98 76.68 -32.40 82.42 75.94 -34.14 83.92 75.51 -35.43 83.23 2 0 13.93-999 ?-999 ?-999 ? O1 PO4 E 509 mILE~A 21 74.47 -32.53 82.82 73.80 -33.07 83.33 74.92 -30.16 82.39 75.47 -29.46 81.54 74.14 -31.40 81.98 72.64 -31.09 82.05 3 0 17.13-999 ?-999 ?-999 ? O1 PO4 E 509 mLEU~A 22 74.97 -29.89 83.70 74.48 -30.55 84.27 77.20 -28.87 83.97 77.87 -27.89 83.62 75.70 -28.75 84.23 75.47 -28.61 85.74 3 0 18.42-999 ?-999 ?-999 ? O1 PO4 E 509 mALA~A 23 77.72 -30.08 84.16 77.06 -30.76 84.47 79.50 -30.07 82.49 80.57 -29.52 82.22 79.13 -30.36 83.95 79.43 -31.83 84.28 2 0 17.80-999 ?-999 ?-999 ? O1 PO4 E 509 mGLU~A 24 78.62 -30.43 81.57 77.79 -30.86 81.93 78.84 -28.71 79.80 79.66 -28.25 79.01 78.87 -30.20 80.15 77.88 -30.99 79.29 2 0 19.82-999 ?-999 ?-999 ? O1 PO4 E 509 mPHE~A 25 77.91 -27.96 80.39 77.29 -28.47 80.99 79.08 -25.85 80.70 79.75 -25.09 80.01 77.82 -26.52 80.16 76.61 -25.93 80.89 3 0 21.03-999 ?-999 ?-999 ? O3 PO4 F 510 mVAL~A 26 79.39 -26.15 81.96 78.77 -26.79 82.41 81.85 -25.89 81.88 82.69 -25.02 81.69 80.55 -25.57 82.61 80.66 -26.03 84.09 3 0 17.27-999 ?-999 ?-999 ? O3 PO4 F 510 mGLU~A 27 82.00 -27.15 81.48 81.24 -27.76 81.71 83.22 -26.85 79.42 84.26 -26.34 78.99 83.20 -27.56 80.77 83.21 -29.07 80.55 2 0 17.97-999 ?-999 ?-999 ? O3 PO4 F 510 mGLY~A 28 82.07 -26.81 78.76 81.30 -27.27 79.21 82.36 -24.68 77.57 83.10 -24.17 76.73 81.98 -26.15 77.48-999.99-999.99-999.99 1 0 20.41-999 ?-999 ?-999 ? O4 PO4 A 501 mPHE~A 29 81.87 -23.99 78.61 81.29 -24.50 79.24 83.69 -22.36 79.00 84.32 -21.49 78.39 82.19 -22.57 78.75 81.39 -21.92 79.88 3 0 18.46-999 ?-999 ?-999 ? O3 PO4 F 510 mGLU~A 30 84.26 -23.17 79.90 83.63 -23.83 80.30 86.57 -23.25 79.06 87.54 -22.53 78.88 85.68 -23.08 80.27 86.04 -24.15 81.31 2 0 15.69-999 ?-999 ?-999 ? O3 PO4 F 510 mTHR~A 31 86.23 -24.22 78.23 85.40 -24.72 78.49 86.89 -23.46 75.95 87.89 -22.84 75.59 87.00 -24.52 77.04 86.58 -25.89 76.48 2 0 18.62-999 ?-999 ?-999 ? O3 PO4 F 510 mLEU~A 32 85.69 -23.24 75.44 84.95 -23.78 75.84 85.90 -20.84 74.79 86.36 -20.07 73.96 85.51 -22.25 74.38 84.07 -22.27 73.86 3 0 21.03-999 ?-999 ?-999 ? O3 PO4 F 510 mSER~A 33 85.72 -20.50 76.06 85.32 -21.22 76.63 87.56 -18.86 76.45 87.95 -17.71 76.27 86.07 -19.16 76.55 85.66 -18.99 78.02 2 0 18.56-999 ?-999 ?-999 ? O3 PO4 F 510 mGLU~A 34 88.39 -19.90 76.57 87.94 -20.78 76.71 90.37 -19.51 75.09 91.43 -18.90 74.93 89.83 -19.72 76.50 90.54 -20.92 77.12 2 0 17.87-999 ?-999 ?-999 ? O3 PO4 F 510 mLEU~A 35 89.67 -20.00 74.08 88.83 -20.49 74.34 90.39 -18.34 72.46 89.69 -17.49 73.00 90.15 -19.83 72.71 89.14 -20.40 71.72 3 0 21.62-999 ?-999 ?-999 ? O3 PO4 F 510 mGLN.A 36 91.39 -18.04 71.63 91.85 -18.83 71.23 91.60 -16.22 69.90 92.31 -15.33 69.43 91.73 -16.66 71.34 93.15 -16.39 71.85 2 0 23.08-999 ?-999 ?-999 ? O3 PO4 F 510 mVAL.A 37 90.67 -16.85 69.19 90.18 -17.57 69.68 88.89 -16.43 67.68 88.16 -17.10 68.41 90.40 -16.49 67.82 90.95 -17.55 66.84 3 0 25.11-999 ?-999 ?-999 ? O4 PO4 A 501 mPRO.A 38 88.40 -15.59 66.75 89.08 -15.07 66.24 86.51 -16.86 66.07 87.21 -17.49 65.26 86.96 -15.48 66.54 86.86 -14.42 65.45 3 0 23.38-999 ?-999 ?-999 ? O4 PO4 A 501 mLEU^A 39 85.39 -17.34 66.59 84.92 -16.73 67.23 83.70 -18.63 65.31 82.72 -17.91 65.56 84.91 -18.66 66.23 84.58 -19.46 67.49 3 0 19.66-999 ?-999 ?-999 ? O4 PO4 A 501 mVAL^A 40 83.79 -19.42 64.24 84.65 -19.93 64.20 82.14 -20.94 63.29 82.86 -21.95 63.17 82.75 -19.54 63.24 83.34 -19.30 61.84 3 0 17.07-999 ?-999 ?-999 ? O4 PO4 A 501 mSER^A 41 80.83 -21.01 63.48 80.38 -20.13 63.58 79.84 -22.72 62.10 79.34 -21.92 61.31 80.14 -22.30 63.53 78.86 -22.18 64.34 2 0 13.49-999 ?-999 ?-999 ? O4 PO4 A 501 mVAL^A 42 80.18 -23.96 61.78 80.55 -24.49 62.53 79.23 -25.80 60.44 79.49 -26.68 61.26 80.00 -24.48 60.43 81.37 -24.66 59.77 3 0 11.19-999 ?-999 ?-999 ? O4 PO4 A 501 mPHE^A 43 78.28 -25.94 59.53 78.18 -25.16 58.91 77.35 -27.75 58.09 77.37 -27.05 57.07 77.46 -27.14 59.47 76.06 -26.81 59.99 3 0 7.45-999 ?-999 ?-999 ? O1 PO4 A 501 mGLY.A 44 77.21 -29.07 58.05 77.21 -29.52 58.94 76.78 -31.22 57.00 76.92 -31.73 58.12 77.08 -29.75 56.78-999.99-999.99-999.99 1 0 5.54-999 ?-999 ?-999 ? O1 PO4 A 501 mSER.A 45 76.36 -31.89 55.93 76.31 -31.33 55.11 77.07 -34.25 56.52 78.25 -34.19 56.16 76.03 -33.31 55.95 75.72 -33.78 54.52 2 0 -3.59-999 ?-999 ?-999 ? O2 PO4 A 501s mALA.A 46 76.62 -35.14 57.40 75.65 -35.05 57.61 77.66 -37.32 57.03 78.43 -38.25 57.31 77.49 -36.14 57.99 76.89 -36.64 59.29 2 0 -3.80-999 ?-999 ?-999 ? O2 PO4 A 501s mARG.A 47 76.95 -37.28 55.90 76.41 -36.45 55.78 77.70 -38.14 53.60 78.01 -39.09 52.89 76.97 -38.38 54.93 75.53 -38.83 54.64 2 0 5.72-999 ?-999 ?-999 ? O2 PO4 A 501 mPHE.A 48 77.96 -36.88 53.26 77.64 -36.20 53.92 80.16 -36.63 52.27 80.75 -35.71 52.84 78.65 -36.57 52.01 78.24 -35.17 51.53 3 0 8.06-999 ?-999 ?-999 ? O2 PO4 A 501 mGLY.A 49 80.80 -37.72 51.85 80.22 -38.39 51.38 83.18 -37.33 51.02 82.79 -36.60 50.12 82.22 -37.88 52.07-999.99-999.99-999.99 1 0 10.81-999 ?-999 ?-999 ? O2 PO4 A 501 mGLU.A 50 84.46 -37.68 51.16 84.64 -38.28 51.94 85.06 -37.43 48.79 84.56 -38.50 48.44 85.48 -37.22 50.23 86.79 -37.96 50.48 2 0 14.31-999 ?-999 ?-999 ? O2 PO4 A 501 mGLY.A 51 85.26 -36.42 47.95 85.68 -35.61 48.36 83.57 -35.85 46.21 83.37 -35.38 45.08 84.89 -36.54 46.55-999.99-999.99-999.99 1 0 16.18-999 ?-999 ?-999 ? O2 PO4 A 501 mHIS~A 52 82.69 -35.79 47.20 83.00 -36.22 48.04 81.57 -33.65 47.05 82.40 -33.12 47.79 81.38 -35.17 47.06 80.50 -35.61 48.24 3 0 13.52-999 ?-999 ?-999 ? O2 PO4 A 501 mPRO~A 53 80.80 -32.92 46.22 80.16 -33.47 45.68 80.81 -30.74 47.47 81.54 -29.78 47.71 80.89 -31.46 46.11 79.70 -31.11 45.22 3 0 14.49-999 ?-999 ?-999 ? O2 PO4 A 501 mALA~A 54 79.91 -31.20 48.33 79.38 -31.98 48.01 81.00 -30.76 50.49 81.37 -29.88 51.26 79.75 -30.59 49.65 78.57 -31.20 50.36 2 0 11.34-999 ?-999 ?-999 ? O2 PO4 A 501 mTYR~A 55 81.68 -31.90 50.33 81.29 -32.52 49.65 84.03 -31.29 50.64 84.70 -30.66 51.45 82.88 -32.18 51.10 83.27 -33.64 50.92 3 0 11.86-999 ?-999 ?-999 ? O2 PO4 A 501 mGLU~A 56 84.25 -31.25 49.33 83.63 -31.80 48.77 85.11 -28.98 49.18 86.03 -28.31 49.67 85.33 -30.44 48.80 85.42 -30.59 47.27 2 0 15.55-999 ?-999 ?-999 ? O2 PO4 A 501 mALA~A 57 83.89 -28.50 48.98 83.25 -29.15 48.59 83.84 -26.89 50.80 84.39 -25.85 51.19 83.57 -27.12 49.32 82.10 -26.84 49.01 2 0 15.23-999 ?-999 ?-999 ? O1 PO4 A 501 mGLY~A 58 83.47 -27.87 51.62 83.05 -28.66 51.17 85.17 -27.69 53.36 85.60 -26.92 54.24 83.68 -27.76 53.05-999.99-999.99-999.99 1 0 13.18-999 ?-999 ?-999 ? O1 PO4 A 501 mTYR~A 59 85.97 -28.48 52.63 85.52 -29.06 51.96 87.93 -27.05 52.57 88.67 -26.50 53.37 87.40 -28.45 52.87 88.14 -29.49 52.03 3 0 15.95-999 ?-999 ?-999 ? O2 PO4 A 501 mARG~A 60 87.52 -26.47 51.44 86.89 -27.02 50.90 87.57 -24.06 52.08 88.37 -23.18 52.40 87.96 -25.12 51.06 87.40 -24.74 49.67 2 0 18.56-999 ?-999 ?-999 ? O1 PO4 A 501 mLEU~A 61 86.33 -24.12 52.56 85.78 -24.86 52.19 86.67 -23.28 54.82 87.12 -22.28 55.37 85.82 -23.17 53.56 84.38 -23.50 53.94 3 0 16.95-999 ?-999 ?-999 ? O1 PO4 A 501 mGLY~A 62 86.86 -24.51 55.28 86.43 -25.24 54.75 89.04 -24.16 56.35 89.52 -23.47 57.24 87.65 -24.74 56.48-999.99-999.99-999.99 1 0 17.04-999 ?-999 ?-999 ? O4 PO4 A 501 mARG~A 63 89.69 -24.43 55.22 89.19 -25.02 54.58 91.04 -22.36 54.86 91.95 -21.70 55.38 91.02 -23.91 54.96 91.57 -24.52 53.67 2 0 20.61-999 ?-999 ?-999 ? O1 PO4 A 501 mALA~A 64 90.04 -21.79 54.18 89.37 -22.42 53.81 89.82 -19.61 55.37 90.53 -18.64 55.65 89.99 -20.34 54.03 88.88 -19.96 53.10 2 0 21.72-999 ?-999 ?-999 ? O1 PO4 A 501 mLEU~A 65 88.90 -20.09 56.19 88.40 -20.89 55.86 89.93 -19.44 58.37 90.24 -18.44 59.00 88.68 -19.45 57.49 87.53 -20.13 58.20 3 0 20.81-999 ?-999 ?-999 ? O1 PO4 A 501 mALA~A 66 90.64 -20.56 58.41 90.25 -21.31 57.87 92.88 -19.64 58.66 93.52 -18.91 59.43 91.87 -20.66 59.19 92.45 -22.05 59.07 2 0 22.41-999 ?-999 ?-999 ? O4 PO4 A 501 mGLU~A 67 93.00 -19.58 57.34 92.42 -20.22 56.83 93.60 -17.22 57.14 94.49 -16.45 57.53 93.93 -18.65 56.72 93.88 -18.79 55.19 2 0 25.49-999 ?-999 ?-999 ? O4 PO4 A 501 mALA~A 68 92.32 -16.87 57.07 91.71 -17.60 56.74 91.97 -15.26 58.94 91.81 -14.13 59.40 91.85 -15.53 57.44 90.41 -15.35 57.00 2 0 25.77-999 ?-999 ?-999 ? O1 PO4 A 501 mGLY~A 69 92.26 -16.30 59.71 92.36 -17.18 59.24 91.25 -16.56 62.02 91.25 -16.23 63.21 92.40 -16.11 61.13-999.99-999.99-999.99 1 0 25.70-999 ?-999 ?-999 ? O4 PO4 A 501 mPHE.A 70 90.28 -17.29 61.48 90.37 -17.45 60.50 89.39 -19.22 62.74 90.16 -19.97 62.13 89.16 -17.78 62.31 87.83 -17.74 61.55 3 0 22.29-999 ?-999 ?-999 ? O4 PO4 A 501 mGLY^A 71 88.71 -19.60 63.82 88.19 -18.88 64.27 87.42 -21.54 63.85 86.42 -20.80 63.82 88.77 -20.97 64.29-999.99-999.99-999.99 1 0 20.11-999 ?-999 ?-999 ? O4 PO4 A 501 mVAL^A 72 87.36 -22.81 63.48 88.22 -23.31 63.49 85.57 -24.30 64.18 86.36 -24.98 64.85 86.08 -23.38 63.08 86.17 -24.18 61.76 3 0 16.34-999 ?-999 ?-999 ? O4 PO4 A 501 mVAL^A 73 84.26 -24.28 64.37 83.77 -23.65 63.77 82.54 -25.93 64.60 81.67 -25.36 63.94 83.59 -25.12 65.35 82.90 -24.28 66.43 3 0 14.00-999 ?-999 ?-999 ? O4 PO4 A 501 mTHR^A 74 82.65 -27.26 64.67 83.42 -27.58 65.21 81.24 -29.19 65.00 81.65 -29.18 66.17 81.71 -28.15 63.99 82.38 -28.94 62.84 2 0 10.38-999 ?-999 ?-999 ? O4 PO4 A 501 mGLY.A 75 80.37 -30.10 64.56 80.09 -30.00 63.60 80.87 -32.30 65.59 80.55 -33.33 66.19 79.88 -31.14 65.45-999.99-999.99-999.99 1 0 8.36-999 ?-999 ?-999 ? O4 PO4 A 501 mGLY.A 76 82.07 -32.13 65.03 82.19 -31.26 64.56 82.82 -34.48 64.40 83.62 -35.40 64.50 83.09 -33.17 65.13-999.99-999.99-999.99 1 0 10.49-999 ?-999 ?-999 ? O4 PO4 A 501 mGLY.A 77 81.70 -34.56 63.67 81.14 -33.73 63.66 82.02 -35.99 61.61 83.01 -35.33 61.30 81.36 -35.78 62.97-999.99-999.99-999.99 1 0 8.29-999 ?-999 ?-999 ? O4 PO4 A 501 mPRO~A 78 81.50 -36.93 60.79 80.71 -37.39 61.21 81.47 -36.30 58.40 80.94 -35.24 58.75 81.96 -37.30 59.44 81.32 -38.68 59.20 3 0 8.47-999 ?-999 ?-999 ? O2 PO4 A 501 mGLY~A 79 81.64 -36.66 57.12 82.10 -37.54 57.00 81.73 -34.42 55.95 82.93 -34.20 56.10 81.18 -35.83 56.01-999.99-999.99-999.99 1 0 7.69-999 ?-999 ?-999 ? O2 PO4 A 501 mVAL~A 80 80.83 -33.47 55.71 79.89 -33.79 55.62 81.85 -31.52 56.86 82.68 -30.62 56.79 81.22 -32.08 55.59 80.02 -31.20 55.20 3 0 8.33-999 ?-999 ?-999 ? O2 PO4 A 501 mMETA 81 81.46 -32.05 58.01 80.78 -32.78 57.96 83.50 -31.93 59.22 84.38 -31.10 59.45 82.03 -31.54 59.24 81.31 -32.11 60.46 2 0 8.67-999 ?-999 ?-999 ? O4 PO4 A 501 mGLU~A 82 83.78 -33.19 58.90 82.98 -33.76 58.72 85.95 -32.78 57.88 87.00 -32.24 58.25 85.14 -33.65 58.84 85.18 -35.11 58.39 2 0 11.34-999 ?-999 ?-999 ? O2 PO4 A 501 mALA~A 83 85.46 -32.61 56.65 84.59 -33.08 56.47 86.43 -30.39 56.21 87.53 -29.86 56.03 86.16 -31.79 55.67 85.35 -31.70 54.38 2 0 12.94-999 ?-999 ?-999 ? O2 PO4 A 501 mVAL~A 84 85.43 -29.79 56.87 84.59 -30.32 56.95 86.69 -28.42 58.51 87.49 -27.50 58.54 85.62 -28.45 57.42 84.32 -27.88 58.01 3 0 13.36-999 ?-999 ?-999 ? O4 PO4 A 501 mASN~A 85 86.68 -29.41 59.41 85.94 -30.07 59.29 89.07 -29.73 59.85 90.08 -29.18 60.29 87.69 -29.48 60.48 87.39 -30.62 61.44 2 0 14.59-999 ?-999 ?-999 ? O4 PO4 A 501 mARG~A 86 89.09 -30.59 58.84 88.20 -30.97 58.59 90.96 -29.75 57.46 92.16 -29.51 57.58 90.33 -30.94 58.15 90.07 -32.04 57.13 2 0 16.91-999 ?-999 ?-999 ? O2 PO4 A 501 mGLY~A 87 90.15 -29.00 56.73 89.19 -29.29 56.70 91.33 -26.89 57.01 92.40 -26.35 56.73 90.67 -27.84 56.03-999.99-999.99-999.99 1 0 18.36-999 ?-999 ?-999 ? O2 PO4 A 501 mALA~A 88 90.68 -26.70 58.15 89.83 -27.22 58.24 92.43 -26.40 59.82 93.47 -25.75 59.90 91.18 -25.81 59.18 90.13 -25.60 60.24 2 0 19.21-999 ?-999 ?-999 ? O4 PO4 A 501 mTYR~A 89 92.30 -27.64 60.28 91.39 -28.03 60.15 94.65 -28.28 60.06 95.70 -27.81 60.51 93.39 -28.35 60.91 93.03 -29.81 61.12 3 0 20.39-999 ?-999 ?-999 ? O4 PO4 A 501 mGLU~A 90 94.54 -28.74 58.82 93.63 -29.06 58.57 96.27 -27.40 57.57 97.39 -27.33 57.08 95.70 -28.75 57.94 95.38 -29.56 56.69 2 0 22.66-999 ?-999 ?-999 ? O4 PO4 A 501 mALA~A 91 95.52 -26.32 57.81 94.61 -26.50 58.19 96.56 -24.38 58.82 96.87 -23.19 58.89 96.05 -24.98 57.52 94.98 -24.08 56.91 2 0 24.15-999 ?-999 ?-999 ? O4 PO4 A 501 mGLY.A 92 96.65 -25.23 59.84 96.34 -26.16 59.65 96.23 -23.94 61.97 96.69 -23.22 62.85 97.15 -24.80 61.13-999.99-999.99-999.99 1 0 25.08-999 ?-999 ?-999 ? O4 PO4 A 501 mGLY.A 93 94.93 -24.00 61.71 94.66 -24.62 60.97 93.37 -23.96 63.63 93.49 -25.19 63.72 94.03 -23.19 62.50-999.99-999.99-999.99 1 0 22.97-999 ?-999 ?-999 ? O4 PO4 A 501 mVAL.A 94 92.69 -23.24 64.51 92.72 -22.25 64.35 90.76 -24.61 65.04 89.93 -24.02 64.34 91.97 -23.85 65.61 91.44 -22.78 66.58 3 0 21.39-999 ?-999 ?-999 ? O4 PO4 A 501 mSER^A 95 90.67 -25.91 65.32 91.42 -26.28 65.87 88.82 -27.33 66.02 89.39 -28.18 66.70 89.55 -26.70 64.83 90.03 -27.79 63.88 2 0 17.87-999 ?-999 ?-999 ? O4 PO4 A 501 mVAL^A 96 87.57 -26.93 66.25 87.23 -26.24 65.60 85.65 -28.39 66.94 84.96 -28.18 65.93 86.79 -27.46 67.36 86.18 -26.31 68.22 3 0 16.07-999 ?-999 ?-999 ? O4 PO4 A 501 mGLY^A 97 85.46 -29.44 67.73 86.10 -29.52 68.50 83.54 -30.51 68.68 84.05 -30.72 69.78 84.41 -30.39 67.45-999.99-999.99-999.99 1 0 13.21-999 ?-999 ?-999 ? O4 PO4 A 501 mLEU^A 98 82.23 -30.36 68.50 81.96 -30.15 67.56 80.59 -31.82 69.35 79.43 -31.87 68.96 81.29 -30.49 69.62 80.29 -29.33 69.60 3 0 12.34-999 ?-999 ?-999 ? O4 PO4 A 501 mASN^A 99 81.33 -32.90 69.58 82.24 -32.70 69.94 79.65 -34.66 70.15 79.59 -34.44 71.36 80.85 -34.26 69.33 82.01 -35.24 69.53 2 0 11.41-999 ?-999 ?-999 ? O4 PO4 A 501 mILE^A 100 78.67 -35.25 69.48 78.85 -35.38 68.50 77.45 -37.19 70.31 77.75 -37.92 69.38 77.45 -35.67 70.14 76.23 -35.24 69.33 3 0 10.58-999 ?-999 ?-999 ? O4 PO4 A 501 mGLU.A 101 77.12 -37.65 71.51 76.91 -36.95 72.20 75.73 -39.66 71.33 74.68 -39.29 71.87 77.07 -39.08 71.78 77.30 -39.33 73.27 2 0 12.98-999 ?-999 ?-999 ? O4 PO4 A 501 mLEU.A 102 75.77 -40.56 70.35 76.69 -40.77 70.02 74.51 -42.69 69.94 75.55 -43.36 70.02 74.57 -41.17 69.80 74.41 -40.83 68.32 3 0 11.99-999 ?-999 ?-999 ? O4 PO4 A 501 mPRO.A 103 73.29 -43.24 69.98 72.57 -42.55 69.91 73.78 -45.48 69.08 74.28 -46.56 69.38 72.98 -44.67 70.10 71.48 -44.72 69.82 3 0 14.60-999 ?-999 ?-999 ? O3 PO4 A 501 mHIS.A 104 73.87 -44.94 67.87 73.38 -44.07 67.78 75.74 -44.58 66.51 75.70 -43.83 65.54 74.62 -45.56 66.79 73.73 -45.72 65.57 3 0 13.37-999 ?-999 ?-999 ? O3 PO4 A 501 mGLU.A 105 76.72 -44.60 67.40 76.60 -45.28 68.13 78.64 -43.60 66.02 79.00 -44.60 65.39 77.87 -43.71 67.33 78.87 -44.06 68.44 2 0 12.80-999 ?-999 ?-999 ? O4 PO4 A 501 mGLN.A 106 78.87 -42.36 65.61 78.45 -41.66 66.19 80.98 -41.74 65.15 80.95 -41.25 66.28 79.66 -42.06 64.43 79.11 -40.82 63.71 2 0 10.96-999 ?-999 ?-999 ? O4 PO4 A 501 mLYS.A 107 82.12 -42.02 64.53 82.02 -42.42 63.61 83.82 -40.29 65.00 83.61 -39.71 63.93 83.39 -41.74 65.19 84.49 -42.67 64.67 2 0 13.40-999 ?-999 ?-999 ? O4 PO4 A 501 mPRO.A 108 84.42 -39.67 66.03 84.52 -40.24 66.85 85.97 -38.19 64.89 86.86 -39.04 64.88 84.87 -38.28 65.95 85.44 -38.00 67.35 3 0 13.23-999 ?-999 ?-999 ? O4 PO4 A 501 mASN.A 109 85.92 -37.20 64.02 85.15 -36.56 64.11 88.30 -36.83 63.70 88.33 -36.49 64.89 86.96 -37.11 63.01 86.60 -36.07 61.92 2 0 13.88-999 ?-999 ?-999 ? O4 PO4 A 501 mPRO.A 110 89.42 -37.01 63.00 89.31 -37.31 62.05 91.28 -35.37 63.44 92.48 -35.16 63.66 90.70 -36.75 63.66 91.62 -37.83 63.08 3 0 17.53-999 ?-999 ?-999 ? O4 PO4 A 501 mTYR.A 111 90.45 -34.42 63.03 89.49 -34.69 62.94 90.48 -32.02 63.72 90.15 -30.91 63.32 90.96 -33.08 62.76 90.61 -32.69 61.33 3 0 17.40-999 ?-999 ?-999 ? O4 PO4 A 501 mGLN.A 112 90.47 -32.35 65.00 90.78 -33.27 65.22 91.13 -30.92 66.92 91.76 -31.73 67.59 90.01 -31.39 65.99 88.87 -32.01 66.80 2 0 17.36-999 ?-999 ?-999 ? O4 PO4 A 501 mTHR.A 113 91.37 -29.62 66.96 90.81 -29.08 66.33 91.84 -29.05 69.28 92.60 -29.01 70.24 92.38 -29.05 67.84 92.71 -27.60 67.43 2 0 20.61-999 ?-999 ?-999 ? O4 PO4 A 501 mHIS^A 114 90.51 -29.11 69.39 90.03 -29.14 68.51 88.56 -29.96 70.49 87.69 -29.60 69.71 89.83 -29.14 70.68 89.44 -27.72 71.10 3 0 19.63-999 ?-999 ?-999 ? O4 PO4 A 501 mALA^A 115 88.47 -31.08 71.21 89.25 -31.25 71.82 86.54 -32.08 72.41 87.09 -32.34 73.48 87.32 -31.96 71.11 87.78 -33.33 70.65 2 0 17.38-999 ?-999 ?-999 ? O4 PO4 A 501 mLEU^A 116 85.23 -31.87 72.31 84.91 -31.64 71.39 83.29 -33.03 73.13 82.81 -33.08 72.00 84.36 -31.99 73.46 83.71 -30.64 73.76 3 0 16.92-999 ?-999 ?-999 ? O4 PO4 A 501 mSER^A 117 82.96 -33.90 74.09 83.47 -33.80 74.94 80.78 -34.59 74.78 80.94 -34.51 75.99 81.93 -34.90 73.85 82.45 -36.33 74.04 2 0 15.77-999 ?-999 ?-999 ? O4 PO4 A 501 mLEU^A 118 79.61 -34.42 74.17 79.66 -34.57 73.18 77.30 -35.11 74.65 77.15 -35.65 73.56 78.39 -34.06 74.86 77.90 -32.72 74.30 3 0 15.18-999 ?-999 ?-999 ? O4 PO4 A 501 mARG.A 119 76.54 -35.40 75.69 76.77 -34.90 76.53 74.18 -35.69 75.08 73.32 -36.33 74.49 75.46 -36.37 75.59 75.17 -37.01 76.96 2 0 15.49-999 ?-999 ?-999 ? O4 PO4 A 501 mTYR~A 120 74.10 -34.38 75.29 74.91 -33.97 75.70 72.95 -32.63 73.79 73.78 -31.72 73.76 72.90 -33.62 74.93 72.42 -32.90 76.18 3 0 14.54-999 ?-999 ?-999 ? O4 PO4 A 501 mPHE~A 121 72.03 -32.80 72.84 71.42 -33.58 72.98 71.81 -30.44 72.15 72.50 -29.56 71.64 71.95 -31.90 71.70 70.77 -32.26 70.78 3 0 11.57-999 ?-999 ?-999 ? O4 PO4 A 501 mPHE~A 122 70.92 -30.18 73.11 70.43 -30.97 73.48 72.01 -28.15 74.10 72.28 -27.00 73.79 70.73 -28.81 73.56 69.55 -28.70 74.56 3 0 14.36-999 ?-999 ?-999 ? O4 PO4 A 501 mVAL~A 123 72.81 -28.87 74.88 72.50 -29.79 75.09 74.94 -27.90 74.17 75.47 -26.80 74.07 74.06 -28.26 75.37 74.86 -29.22 76.28 3 0 15.93-999 ?-999 ?-999 ? O4 PO4 A 501 mARG~A 124 75.08 -28.84 73.25 74.59 -29.69 73.45 75.39 -27.43 71.23 76.21 -26.63 70.74 75.88 -28.64 72.05 75.83 -29.92 71.21 2 0 12.88-999 ?-999 ?-999 ? O4 PO4 A 501 mLYS~A 125 74.07 -27.27 71.10 73.53 -27.98 71.55 73.80 -24.82 71.01 73.94 -23.82 70.32 73.48 -26.16 70.35 71.96 -26.28 70.28 2 0 12.51-999 ?-999 ?-999 ? O4 PO4 A 501 mVAL~A 126 73.88 -24.81 72.34 73.71 -25.69 72.78 75.63 -23.21 72.81 75.93 -22.04 72.54 74.18 -23.59 73.07 73.96 -23.78 74.61 3 0 16.24-999 ?-999 ?-999 ? O4 PO4 A 501 mLEU~A 127 76.54 -24.18 72.88 76.17 -25.08 73.10 78.19 -23.45 71.22 79.16 -22.75 70.95 77.94 -23.90 72.65 78.79 -25.15 72.96 3 0 16.26-999 ?-999 ?-999 ? O4 PO4 A 501 mPHE~A 128 77.32 -23.84 70.31 76.57 -24.41 70.66 77.18 -21.97 68.67 77.71 -21.39 67.72 77.45 -23.46 68.91 76.50 -24.30 68.05 3 0 13.86-999 ?-999 ?-999 ? O4 PO4 A 501 mVAL~A 129 76.38 -21.34 69.52 76.02 -21.91 70.26 76.72 -18.99 70.35 77.15 -17.89 70.00 76.07 -19.92 69.33 74.53 -19.66 69.37 3 0 16.62-999 ?-999 ?-999 ? O4 PO4 A 501 mARG~A 130 76.81 -19.44 71.59 76.46 -20.37 71.73 78.64 -17.86 72.25 78.80 -16.70 72.61 77.38 -18.62 72.65 77.69 -19.49 73.88 2 0 19.80-999 ?-999 ?-999 ? O4 PO4 A 501 mTYR~A 131 79.51 -18.51 71.49 79.24 -19.43 71.22 80.95 -17.65 69.61 82.07 -17.45 69.16 80.76 -17.87 71.10 81.94 -18.70 71.64 3 0 20.40-999 ?-999 ?-999 ? O4 PO4 A 501 mALA^A 132 79.88 -17.67 68.83 79.01 -17.80 69.31 79.94 -16.08 66.85 79.23 -15.23 67.39 80.02 -17.51 67.38 78.99 -18.36 66.66 2 0 18.76-999 ?-999 ?-999 ? O4 PO4 A 501 mVAL^A 133 80.68 -15.83 65.77 81.22 -16.62 65.47 80.08 -14.75 63.73 80.03 -13.84 62.91 80.71 -14.55 65.10 82.16 -14.01 64.91 3 0 20.97-999 ?-999 ?-999 ? O4 PO4 A 501 mGLY^A 134 79.60 -15.97 63.49 79.71 -16.62 64.24 78.56 -17.77 62.10 79.00 -18.60 62.89 78.97 -16.30 62.21-999.99-999.99-999.99 1 0 18.05-999 ?-999 ?-999 ? O1 PO4 A 501 mPHE^A 135 77.71 -18.08 61.12 77.45 -17.30 60.56 77.20 -19.74 59.39 76.66 -18.95 58.60 77.23 -19.44 60.88 75.80 -19.63 61.42 3 0 14.31-999 ?-999 ?-999 ? O1 PO4 A 501 mVAL^A 136 77.77 -20.88 59.00 78.18 -21.41 59.75 77.09 -22.67 57.48 77.48 -23.65 58.11 77.79 -21.30 57.61 79.23 -21.43 57.06 3 0 12.59-999 ?-999 ?-999 ? O1 PO4 A 501 mPHE^A 137 76.06 -22.73 56.65 75.83 -21.87 56.20 75.61 -24.60 55.07 75.23 -24.03 54.04 75.36 -24.00 56.45 73.86 -23.79 56.71 3 0 9.40-999 ?-999 ?-999 ? O1 PO4 A 501 mLEU.A 138 76.30 -25.74 55.04 76.59 -26.08 55.93 75.53 -27.50 53.56 74.78 -27.82 54.49 76.59 -26.42 53.78 77.99 -27.05 53.83 3 0 8.78-999 ?-999 ?-999 ? O1 PO4 A 501 mPRO.A 139 75.39 -28.03 52.33 76.00 -27.69 51.61 74.48 -30.08 53.31 75.60 -30.49 53.70 74.37 -29.08 52.16 74.73 -29.69 50.82 3 0 7.46-999 ?-999 ?-999 ? O1 PO4 A 501 mGLY.A 140 73.33 -30.44 53.86 72.53 -30.01 53.44 71.83 -31.96 55.00 71.05 -31.79 54.05 73.24 -31.39 54.96-999.99-999.99-999.99 1 0 -3.77-999 ?-999 ?-999 ? O1 PO4 A 501s mGLY~A 141 71.50 -32.65 56.10 72.22 -32.69 56.79 69.44 -32.74 57.47 69.41 -31.54 57.69 70.19 -33.26 56.25-999.99-999.99-999.99 1 0 -3.38-999 ?-999 ?-999 ? O1 PO4 A 501s mPHE~A 142 68.85 -33.64 58.26 68.99 -34.59 57.98 68.87 -32.44 60.46 68.38 -31.47 61.03 68.08 -33.22 59.43 67.42 -34.43 60.11 3 0 -3.98-999 ?-999 ?-999 ? O3 PO4 A 501s mGLY~A 143 70.11 -32.87 60.69 70.40 -33.66 60.14 71.24 -30.77 61.31 71.19 -29.89 62.17 70.96 -32.21 61.67-999.99-999.99-999.99 1 0 -3.42-999 ?-999 ?-999 ? O4 PO4 A 501s mTHR~A 144 71.51 -30.52 60.04 71.48 -31.32 59.44 70.59 -28.27 59.61 70.67 -27.10 59.99 71.82 -29.17 59.59 72.38 -29.22 58.18 2 0 -3.93-999 ?-999 ?-999 ? O1 PO4 A 501s mLEU~A 145 69.45 -28.81 59.18 69.52 -29.76 58.90 67.86 -27.58 60.55 67.49 -26.43 60.77 68.21 -28.04 59.14 67.10 -28.90 58.56 3 0 6.63-999 ?-999 ?-999 ? O1 PO4 A 501 mASP~A 146 68.00 -28.49 61.50 68.30 -29.38 61.15 68.62 -27.06 63.43 68.13 -26.18 64.15 67.74 -28.22 62.91 67.98 -29.50 63.71 2 0 8.15-999 ?-999 ?-999 ? O1 PO4 A 501 mGLU~A 147 69.89 -27.03 63.06 70.19 -27.79 62.49 70.35 -24.63 62.82 70.34 -23.57 63.44 70.76 -25.93 63.51 72.23 -26.22 63.18 2 0 8.79-999 ?-999 ?-999 ? O1 PO4 A 501 mLEU~A 148 70.01 -24.71 61.54 70.05 -25.64 61.16 68.35 -22.89 61.32 68.31 -21.67 61.58 69.62 -23.53 60.77 69.39 -23.90 59.31 3 0 10.07-999 ?-999 ?-999 ? O1 PO4 A 501 mSER~A 149 67.31 -23.71 61.49 67.47 -24.67 61.26 66.19 -22.62 63.37 65.56 -21.61 63.70 66.04 -23.19 61.97 64.91 -24.25 61.90 2 0 10.10-999 ?-999 ?-999 ? O4 PO4 B 503 mGLU~A 150 67.05 -23.21 64.20 67.53 -24.01 63.83 67.84 -21.28 65.53 67.32 -20.37 66.20 67.23 -22.68 65.54 68.11 -23.57 66.43 2 0 10.69-999 ?-999 ?-999 ? O4 PO4 B 503 mVAL~A 151 68.94 -21.10 64.80 69.26 -21.92 64.30 68.71 -18.75 64.11 68.75 -17.59 64.54 69.61 -19.81 64.74 70.97 -19.86 63.97 3 0 12.30-999 ?-999 ?-999 ? O4 PO4 B 503 mLEU~A 152 67.92 -19.12 63.11 67.99 -20.09 62.85 66.05 -17.60 63.49 65.81 -16.40 63.52 67.03 -18.16 62.47 66.27 -18.81 61.31 3 0 9.88-999 ?-999 ?-999 ? O4 PO4 B 503 mVAL~A 153 65.51 -18.49 64.32 65.81 -19.43 64.16 65.24 -17.13 66.36 64.65 -16.09 66.72 64.58 -18.10 65.39 64.10 -19.35 66.18 3 0 7.29-999 ?-999 ?-999 ? O4 PO4 B 503 mLEU~A 154 66.45 -17.47 66.79 66.79 -18.34 66.41 67.49 -15.27 67.16 67.51 -14.28 67.90 67.22 -16.66 67.72 68.55 -17.36 68.07 3 0 10.56-999 ?-999 ?-999 ? O4 PO4 B 503 mLEU~A 155 67.71 -15.20 65.85 67.69 -16.08 65.38 66.66 -13.16 64.98 66.57 -11.98 65.29 67.96 -13.93 65.19 68.67 -14.16 63.85 3 0 11.64-999 ?-999 ?-999 ? O4 PO4 B 503 mGLN~A 156 65.64 -13.84 64.45 65.83 -14.80 64.25 63.76 -12.52 65.46 63.25 -11.41 65.40 64.35 -13.19 64.20 63.35 -14.21 63.65 2 0 8.89-999 ?-999 ?-999 ? O4 PO4 B 503 mTHR~A 157 63.81 -13.22 66.59 64.25 -14.12 66.50 64.31 -11.90 68.61 64.05 -11.40 69.70 63.27 -12.70 67.85 62.78 -13.85 68.77 2 0 9.04-999 ?-999 ?-999 ? O4 PO4 B 503 mGLU.A 158 65.51 -11.81 68.06 65.59 -12.32 67.20 67.15 -11.46 70.03 67.56 -10.61 70.83 66.60 -11.03 68.66 66.20 -9.55 68.68 2 0 12.69-999 ?-999 ?-999 ? O4 PO4 B 503 mLYS.A 159 67.18 -12.77 70.30 66.82 -13.35 69.57 69.26 -13.30 71.50 69.93 -13.42 72.51 67.72 -13.26 71.56 67.17 -14.67 71.86 2 0 13.65-999 ?-999 ?-999 ? O4 PO4 B 503 mVAL.A 160 69.83 -13.18 70.30 69.19 -13.10 69.54 71.65 -12.18 69.10 70.81 -11.84 68.28 71.28 -13.18 70.18 71.81 -14.58 69.78 3 0 16.00-999 ?-999 ?-999 ? O4 PO4 B 503 mHIS.A 161 72.89 -11.72 69.11 73.49 -12.08 69.82 73.16 -11.26 66.70 73.39 -12.43 66.43 73.31 -10.74 68.11 74.76 -10.30 68.31 3 0 18.18-999 ?-999 ?-999 ? O4 PO4 B 503 mARG.A 162 72.79 -10.35 65.79 72.69 -9.43 66.16 73.83 -10.97 63.58 74.10 -10.29 62.59 72.56 -10.70 64.40 71.74 -9.58 63.73 2 0 17.16-999 ?-999 ?-999 ? O4 PO4 B 503 mPHE.A 163 74.61 -11.97 63.99 74.30 -12.46 64.80 75.46 -12.83 61.87 74.34 -13.24 61.64 75.83 -12.29 63.25 76.67 -13.30 64.01 3 0 19.58-999 ?-999 ?-999 ? O4 PO4 B 503 mPRO.A 164 76.42 -12.83 60.93 77.31 -12.47 61.21 75.72 -14.81 59.51 76.26 -15.66 60.21 76.13 -13.33 59.58 77.43 -13.09 58.82 3 0 19.80-999 ?-999 ?-999 ? O1 PO4 A 501 mVAL^A 165 74.74 -15.10 58.65 74.35 -14.31 58.19 74.37 -16.73 56.92 73.80 -15.99 56.12 74.29 -16.48 58.42 72.85 -16.72 58.88 3 0 16.40-999 ?-999 ?-999 ? O1 PO4 A 501 mPHE^A 166 75.11 -17.77 56.52 75.55 -18.28 57.26 74.80 -19.51 54.79 74.95 -20.42 55.61 75.23 -18.09 55.11 76.69 -17.92 54.66 3 0 15.29-999 ?-999 ?-999 ? O1 PO4 A 501 mLEU^A 167 74.25 -19.71 53.60 74.14 -18.87 53.06 74.66 -21.23 51.87 74.49 -20.49 50.90 73.85 -21.03 53.13 72.37 -21.09 52.78 3 0 12.96-999 ?-999 ?-999 ? O1 PO4 A 501 mLEU^A 168 75.55 -22.21 51.88 75.61 -22.72 52.73 75.70 -23.50 49.79 75.20 -24.53 50.24 76.36 -22.48 50.70 77.75 -22.98 51.11 3 0 13.38-999 ?-999 ?-999 ? O1 PO4 A 501 mASP~A 169 75.73 -23.18 48.49 76.18 -22.30 48.33 73.70 -23.69 47.19 72.81 -24.37 47.70 75.18 -24.00 47.42 75.36 -25.49 47.71 2 0 14.29-999 ?-999 ?-999 ? O1 PO4 A 501 mARG~A 170 73.45 -22.66 46.38 74.29 -22.25 46.02 71.09 -23.22 45.61 69.99 -23.26 46.15 72.11 -22.18 46.04 72.20 -21.13 44.93 2 0 16.32-999 ?-999 ?-999 ? O1 PO4 A 501 mGLY~A 171 71.46 -24.03 44.62 72.38 -23.88 44.27 70.13 -26.07 45.15 69.05 -26.65 45.04 70.56 -25.05 44.11-999.99-999.99-999.99 1 0 16.42-999 ?-999 ?-999 ? O1 PO4 A 501 mTYR~A 172 70.96 -26.28 46.15 71.80 -25.73 46.13 69.57 -26.73 48.15 68.66 -27.47 48.52 70.65 -27.25 47.19 71.91 -27.59 47.98 3 0 12.70-999 ?-999 ?-999 ? O1 PO4 A 501 mTRP~A 173 69.67 -25.47 48.53 70.44 -24.98 48.12 67.45 -24.30 48.82 66.48 -23.95 49.51 68.71 -24.86 49.46 69.41 -23.74 50.21 3 0 12.64-999 ?-999 ?-999 ? O1 PO4 A 501 mGLU~A 174 67.46 -24.21 47.49 68.30 -24.55 47.07 64.98 -24.05 47.23 64.16 -23.18 47.49 66.36 -23.66 46.72 66.49 -24.06 45.25 2 0 16.17-999 ?-999 ?-999 ? O1 PO4 A 501 mGLY~A 175 64.74 -25.35 47.37 65.48 -25.96 47.11 63.08 -25.18 49.22 61.98 -24.67 49.39 63.44 -25.78 47.86-999.99-999.99-999.99 1 0 15.73-999 ?-999 ?-999 ? O1 PO4 A 501 mLEU~A 176 63.99 -25.22 50.18 64.86 -25.66 49.93 63.42 -23.14 51.43 62.44 -22.66 52.01 63.70 -24.66 51.49 64.86 -24.91 52.45 3 0 14.01-999 ?-999 ?-999 ? O1 PO4 A 501 mVAL~A 177 64.29 -22.40 50.74 65.05 -22.90 50.32 62.79 -20.62 49.95 62.11 -19.68 50.36 64.11 -20.96 50.64 65.28 -20.27 49.89 3 0 15.58-999 ?-999 ?-999 ? O4 PO4 B 503 mARG~A 178 62.41 -21.35 48.91 63.05 -22.07 48.63 59.99 -21.33 49.25 59.07 -20.53 49.35 61.14 -21.07 48.26 60.97 -21.92 46.99 2 0 16.85-999 ?-999 ?-999 ? O4 PO4 B 503 mTRP~A 179 60.05 -22.43 50.01 60.85 -23.01 49.85 58.93 -21.61 52.02 57.85 -21.27 52.53 58.99 -22.71 50.98 59.21 -24.05 51.68 3 0 13.89-999 ?-999 ?-999 ? O2 PO4 B 503 mLEU~A 180 60.09 -21.05 52.35 60.89 -21.42 51.87 59.51 -18.72 52.76 58.84 -17.97 53.48 60.16 -19.98 53.33 61.62 -19.68 53.73 3 0 11.58-999 ?-999 ?-999 ? O4 PO4 B 503 mALA~A 181 59.70 -18.52 51.46 60.26 -19.21 51.00 57.60 -17.50 50.79 56.90 -16.50 50.79 59.13 -17.37 50.77 59.64 -17.31 49.35 2 0 13.90-999 ?-999 ?-999 ? O4 PO4 B 503 mPHE~A 182 57.12 -18.74 50.79 57.83 -19.43 50.75 55.20 -18.74 52.26 54.08 -18.25 52.47 55.69 -19.06 50.84 55.52 -20.55 50.53 3 0 13.47-999 ?-999 ?-999 ? O2 PO4 B 503 mLEU~A 183 56.04 -19.04 53.26 56.90 -19.47 52.99 55.53 -17.22 54.72 54.78 -16.68 55.54 55.67 -18.74 54.63 56.73 -19.26 55.62 3 0 9.75-999 ?-999 ?-999 ? O2 PO4 B 503 mARG~A 184 56.25 -16.51 53.84 56.82 -17.05 53.22 54.86 -14.62 53.16 54.16 -13.74 53.67 56.16 -15.07 53.83 57.36 -14.45 53.12 2 0 11.23-999 ?-999 ?-999 ? O1 PO4 B 503 mASP~A 185 54.52 -15.21 52.02 55.15 -15.91 51.69 52.09 -15.02 52.31 51.11 -14.30 52.24 53.28 -14.83 51.35 53.09 -15.67 50.09 2 0 13.74-999 ?-999 ?-999 ? O1 PO4 B 503 mGLN~A 186 52.23 -16.00 53.21 53.10 -16.48 53.13 51.28 -15.46 55.44 50.41 -15.51 56.29 51.22 -16.36 54.21 51.41 -17.81 54.65 2 0 11.20-999 ?-999 ?-999 ? O1 PO4 B 503 mLYS.A 187 52.34 -14.66 55.53 52.98 -14.74 54.77 52.81 -14.47 57.97 52.53 -13.96 59.05 52.52 -13.74 56.65 51.30 -12.82 56.81 2 0 9.37-999 ?-999 ?-999 ? O1 PO4 B 503 mALA.A 188 53.38 -15.67 57.88 53.52 -15.98 56.94 55.14 -16.00 59.48 55.64 -16.37 60.55 53.74 -16.45 59.06 53.74 -17.94 58.73 2 0 5.91-999 ?-999 ?-999 ? O1 PO4 B 503 mVAL.A 189 55.77 -15.20 58.62 55.24 -15.00 57.80 57.13 -13.20 58.47 56.42 -12.80 57.55 57.11 -14.68 58.88 58.17 -15.46 58.09 3 0 6.90-999 ?-999 ?-999 ? O4 PO4 B 503 mGLY.A 190 57.94 -12.41 59.14 58.47 -12.86 59.86 58.49 -10.67 57.43 59.07 -11.51 56.75 58.04 -10.99 58.84-999.99-999.99-999.99 1 0 9.57-999 ?-999 ?-999 ? O4 PO4 B 503 mPRO.A 191 58.24 -9.44 56.97 57.78 -8.86 57.64 60.09 -9.08 55.31 60.46 -9.40 54.19 58.61 -8.98 55.63 58.14 -7.52 55.62 3 0 13.21-999 ?-999 ?-999 ? O4 PO4 B 503 mGLU~A 192 60.93 -8.80 56.30 60.49 -8.58 57.17 63.06 -10.07 56.69 64.29 -10.17 56.65 62.38 -8.83 56.11 63.04 -7.61 56.78 2 0 13.87-999 ?-999 ?-999 ? O4 PO4 B 503 mASP~A 193 62.30 -11.02 57.22 61.31 -10.86 57.16 63.80 -13.06 56.94 64.66 -13.79 57.44 62.93 -12.19 57.83 61.91 -13.07 58.53 2 0 10.85-999 ?-999 ?-999 ? O4 PO4 B 503 mLEU~A 194 63.60 -13.01 55.63 62.87 -12.41 55.31 65.82 -13.19 54.58 66.70 -13.81 54.00 64.44 -13.81 54.77 63.78 -14.05 53.41 3 0 12.98-999 ?-999 ?-999 ? O4 PO4 B 503 mGLN~A 195 66.00 -11.97 55.07 65.20 -11.57 55.51 68.22 -11.68 56.12 69.37 -11.23 56.17 67.29 -11.31 54.96 67.10 -9.78 54.90 2 0 15.62-999 ?-999 ?-999 ? O4 PO4 B 503 mLEU~A 196 67.74 -12.51 57.05 66.79 -12.78 56.90 69.68 -13.85 57.66 70.70 -14.03 58.32 68.55 -12.95 58.17 67.70 -13.75 59.18 3 0 14.07-999 ?-999 ?-999 ? O4 PO4 B 503 mPHE~A 197 69.50 -14.42 56.47 68.63 -14.21 56.03 70.86 -14.90 54.47 70.07 -14.23 53.80 70.53 -15.28 55.90 70.08 -16.75 55.95 3 0 16.08-999 ?-999 ?-999 ? O4 PO4 B 503 mARG^A 198 72.03 -15.33 54.01 72.56 -15.86 54.67 72.78 -16.36 51.96 73.45 -17.23 52.51 72.48 -15.05 52.65 73.74 -14.17 52.68 2 0 18.68-999 ?-999 ?-999 ? O1 PO4 A 501 mLEU^A 199 72.28 -16.50 50.74 71.76 -15.72 50.40 73.64 -17.48 48.99 73.63 -16.50 48.26 72.50 -17.72 49.97 71.19 -18.08 49.24 3 0 17.29-999 ?-999 ?-999 ? O1 PO4 A 501 mTHR^A 200 74.64 -18.35 48.98 74.55 -19.11 49.62 76.45 -19.42 47.63 76.37 -20.44 48.31 75.76 -18.14 48.07 76.83 -17.22 48.69 2 0 18.20-999 ?-999 ?-999 ? O1 PO4 A 501 mASP.A 201 77.12 -19.36 46.48 77.07 -18.46 46.04 79.36 -20.36 46.16 80.11 -21.32 45.97 77.85 -20.50 45.94 77.62 -20.63 44.43 2 0 18.25-999 ?-999 ?-999 ? O1 PO4 A 501 mGLU~A 202 79.79 -19.17 46.58 79.07 -18.51 46.76 81.74 -18.84 48.20 81.34 -17.99 48.99 81.22 -18.90 46.76 81.54 -17.58 46.06 2 0 20.02-999 ?-999 ?-999 ? O1 PO4 A 501 mPRO~A 203 82.64 -19.77 48.55 82.90 -20.42 47.84 83.89 -18.44 50.19 83.89 -17.95 51.32 83.18 -19.76 49.91 84.14 -20.94 49.90 3 0 18.74-999 ?-999 ?-999 ? O1 PO4 A 501 mGLU~A 204 84.49 -17.86 49.15 84.39 -18.36 48.29 84.34 -15.48 49.73 84.78 -14.60 50.47 85.23 -16.61 49.26 85.86 -16.22 47.92 2 0 22.40-999 ?-999 ?-999 ? O1 PO4 A 501 mGLU~A 205 83.08 -15.50 49.30 82.85 -16.27 48.71 81.83 -14.56 51.16 81.67 -13.55 51.85 82.15 -14.46 49.68 80.87 -14.56 48.85 2 0 22.39-999 ?-999 ?-999 ? O1 PO4 A 501 mVAL~A 206 81.76 -15.79 51.66 81.90 -16.52 50.99 82.66 -15.53 53.92 82.47 -14.77 54.88 81.49 -16.02 53.07 81.26 -17.52 53.39 3 0 19.67-999 ?-999 ?-999 ? O1 PO4 A 501 mVAL~A 207 83.87 -15.95 53.57 83.91 -16.55 52.77 85.21 -14.02 54.30 85.54 -13.41 55.32 85.04 -15.54 54.33 86.31 -16.20 53.80 3 0 21.58-999 ?-999 ?-999 ? O1 PO4 A 501 mGLN~A 208 84.97 -13.42 53.14 84.70 -14.03 52.40 84.14 -11.21 53.91 84.51 -10.23 54.54 85.10 -11.97 52.99 84.86 -11.57 51.52 2 0 24.83-999 ?-999 ?-999 ? O1 PO4 A 501 mALA~A 209 82.89 -11.69 53.97 82.72 -12.49 53.40 82.26 -11.18 56.29 82.06 -10.24 57.06 81.88 -11.07 54.82 80.53 -11.73 54.60 2 0 23.85-999 ?-999 ?-999 ? O1 PO4 A 501 mLEU~A 210 82.80 -12.33 56.68 82.90 -13.01 55.95 84.44 -11.70 58.41 84.58 -11.24 59.54 83.21 -12.54 58.06 83.52 -14.02 58.30 3 0 22.81-999 ?-999 ?-999 ? O1 PO4 A 501 mLYS~A 211 85.33 -11.50 57.44 85.11 -11.93 56.57 86.08 -9.24 57.89 86.55 -8.55 58.78 86.52 -10.69 57.70 87.50 -10.78 56.53 2 0 26.06-999 ?-999 ?-999 ? O1 PO4 A 501 mALA~A 212 85.16 -8.81 57.03 84.87 -9.48 56.36 83.76 -7.28 58.32 82.59 -6.85 58.16 84.65 -7.45 57.10 83.87 -7.14 55.83 2 0 28.05-999 ?-999 ?-999 ? O1 PO4 A 501 mLEU.B 6 92.31 -14.89 88.49 92.99 -14.34 88.98 89.96 -14.98 87.63 89.11 -15.39 86.83 91.29 -15.71 87.76 91.07 -17.05 88.49 3 0 7.39-999 ?-999 ?-999 ? O3 PO4 F 510 mILE.B 7 89.77 -13.92 88.40 90.54 -13.69 88.99 88.06 -12.86 86.93 86.86 -12.85 86.66 88.52 -13.16 88.36 88.65 -11.83 89.15 3 0 8.98-999 ?-999 ?-999 ? O3 PO4 F 510 mASP~B 8 89.02 -12.62 86.03 89.95 -12.67 86.40 88.16 -13.54 83.88 87.18 -13.44 83.14 88.70 -12.33 84.64 89.93 -11.78 83.91 2 0 12.18-999 ?-999 ?-999 ? O3 PO4 F 510 mGLN~B 9 88.80 -14.70 84.07 89.57 -14.64 84.70 86.94 -16.35 83.67 86.10 -16.32 82.77 88.39 -15.93 83.39 89.31 -17.09 83.78 2 0 11.80-999 ?-999 ?-999 ? O3 PO4 F 510 mLEU~B 10 86.67 -16.77 84.91 87.45 -16.74 85.54 84.26 -16.16 84.99 83.06 -16.46 84.98 85.33 -17.22 85.29 85.31 -17.64 86.76 3 0 11.12-999 ?-999 ?-999 ? O3 PO4 F 510 mHIS~B 11 84.71 -14.93 84.74 85.70 -14.83 84.80 83.35 -14.01 82.97 82.15 -14.07 82.68 83.80 -13.84 84.42 84.50 -12.48 84.58 3 0 12.53-999 ?-999 ?-999 ? O2 PO4 C 507 mHIS~B 12 84.32 -14.07 82.06 85.24 -13.99 82.45 83.40 -15.61 80.42 82.92 -15.94 79.33 84.07 -14.26 80.63 85.41 -14.19 79.87 3 0 15.35-999 ?-999 ?-999 ? O2 PO4 C 507 mGLU~B 13 83.36 -16.39 81.50 83.78 -15.98 82.31 81.24 -17.57 81.74 80.47 -18.49 81.43 82.75 -17.71 81.50 83.42 -18.55 82.59 2 0 15.60-999 ?-999 ?-999 ? O3 PO4 F 510 mASP~B 14 80.84 -16.42 82.29 81.59 -15.80 82.49 78.58 -17.22 83.15 77.38 -17.30 82.90 79.43 -16.09 82.58 78.74 -15.56 81.32 2 0 13.31-999 ?-999 ?-999 ? O2 PO4 C 507 mSER~B 15 79.21 -18.09 83.94 80.18 -17.90 84.09 77.32 -18.84 85.41 76.39 -19.63 85.55 78.50 -19.22 84.52 79.49 -20.10 85.30 2 0 14.24-999 ?-999 ?-999 ? O3 PO4 C 507 mTRP~B 16 77.35 -17.64 85.99 78.16 -17.09 85.78 74.92 -17.24 86.20 73.88 -17.24 86.86 76.27 -17.19 86.88 76.52 -15.76 87.37 3 0 10.86-999 ?-999 ?-999 ? O3 PO4 C 507 mARG~B 17 74.94 -17.29 84.87 75.86 -17.29 84.48 73.03 -18.67 84.27 71.85 -18.83 83.93 73.73 -17.34 84.06 74.09 -17.20 82.58 2 0 12.21-999 ?-999 ?-999 ? O3 PO4 C 507 mLEU~B 18 73.76 -19.63 84.83 74.70 -19.35 85.06 72.28 -21.08 86.25 71.52 -22.05 86.34 73.24 -20.97 85.07 74.39 -21.95 85.26 3 0 14.83-999 ?-999 ?-999 ? O3 PO4 C 507 mPHE~B 19 72.31 -20.11 87.16 72.98 -19.39 87.00 69.95 -20.17 87.77 69.13 -21.01 88.14 71.39 -20.18 88.30 71.59 -18.99 89.25 3 0 13.26-999 ?-999 ?-999 ? O3 PO4 C 507 mARG~B 20 69.65 -19.22 86.88 70.41 -18.62 86.64 67.98 -20.27 85.40 66.85 -20.79 85.39 68.30 -19.12 86.33 68.11 -17.80 85.59 2 0 13.85-999 ?-999 ?-999 ? O3 PO4 C 507 mILE~B 21 68.95 -20.67 84.58 69.81 -20.16 84.66 68.36 -23.00 84.51 67.44 -23.75 84.18 68.74 -21.78 83.66 70.02 -22.09 82.86 3 0 17.02-999 ?-999 ?-999 ? O3 PO4 C 507 mLEU~B 22 69.06 -23.16 85.62 69.75 -22.44 85.78 67.49 -24.13 87.21 66.75 -25.11 87.35 68.84 -24.27 86.52 69.98 -24.35 87.54 3 0 18.17-999 ?-999 ?-999 ? O3 PO4 C 507 mALA~B 23 67.15 -22.92 87.63 67.84 -22.21 87.47 64.74 -23.03 87.29 63.72 -23.60 87.67 65.86 -22.68 88.27 65.74 -21.22 88.71 2 0 17.47-999 ?-999 ?-999 ? O3 PO4 C 507 mGLU~B 24 64.94 -22.69 86.01 65.81 -22.25 85.82 63.71 -24.49 84.78 62.58 -24.94 84.63 63.91 -22.99 85.02 64.22 -22.27 83.71 2 0 19.52-999 ?-999 ?-999 ? O3 PO4 C 507 mPHE~B 25 64.80 -25.27 84.75 65.66 -24.79 84.89 63.93 -27.34 85.69 62.92 -28.06 85.50 64.69 -26.71 84.53 66.07 -27.36 84.44 3 0 21.40-999 ?-999 ?-999 ? O3 PO4 B 503 mVAL~B 26 64.42 -27.06 86.89 65.22 -26.47 86.87 62.33 -27.31 88.21 61.55 -28.25 88.41 63.83 -27.57 88.11 64.54 -26.97 89.33 3 0 17.92-999 ?-999 ?-999 ? O1 PO4 C 511 mGLU~B 27 61.91 -26.06 88.07 62.63 -25.38 87.91 59.73 -26.52 87.07 58.66 -27.07 87.32 60.49 -25.75 88.14 60.25 -24.26 87.94 2 0 18.39-999 ?-999 ?-999 ? O1 PO4 C 511 mGLY~B 28 60.31 -26.53 85.87 61.17 -26.03 85.80 59.51 -28.71 85.04 58.44 -29.25 84.81 59.70 -27.24 84.76-999.99-999.99-999.99 1 0 20.31-999 ?-999 ?-999 ? O3 PO4 B 503 mPHE~B 29 60.56 -29.38 85.54 61.39 -28.84 85.67 59.40 -30.94 86.95 58.51 -31.77 86.86 60.44 -30.80 85.85 61.77 -31.38 86.33 3 0 19.23-999 ?-999 ?-999 ? O3 PO4 C 511 mGLU~B 30 59.52 -30.12 87.98 60.29 -29.48 87.93 57.13 -30.14 88.57 56.35 -31.06 88.81 58.56 -30.17 89.08 58.78 -29.00 90.03 2 0 16.54-999 ?-999 ?-999 ? O3 PO4 C 511 mTHR~B 31 56.79 -29.07 87.85 57.54 -28.42 87.71 54.94 -29.93 86.32 53.85 -30.47 86.49 55.45 -28.88 87.32 55.32 -27.50 86.63 2 0 19.29-999 ?-999 ?-999 ? O1 PO4 C 511 mLEU~B 32 55.71 -30.21 85.29 56.59 -29.73 85.25 55.21 -32.62 84.77 54.27 -33.35 84.44 55.26 -31.17 84.29 56.12 -31.04 83.03 3 0 21.46-999 ?-999 ?-999 ? O3 PO4 B 503 mSER~B 33 56.20 -33.03 85.56 56.88 -32.33 85.78 55.10 -34.79 86.97 54.77 -35.97 87.10 56.26 -34.41 86.03 57.60 -34.69 86.72 2 0 19.41-999 ?-999 ?-999 ? O3 PO4 C 511 mGLU~B 34 54.49 -33.82 87.63 54.82 -32.89 87.45 52.01 -34.14 87.88 51.01 -34.41 88.55 53.39 -34.14 88.54 53.38 -33.20 89.74 2 0 18.19-999 ?-999 ?-999 ? O3 PO4 C 511 mLEU.B 35 51.95 -33.81 86.59 52.82 -33.58 86.17 50.25 -35.28 85.76 51.10 -36.16 85.64 50.67 -33.82 85.89 50.81 -33.17 84.51 3 0 21.84-999 ?-999 ?-999 ? O3 PO4 C 511 mGLN.B 36 48.95 -35.51 85.79 48.38 -34.69 85.85 47.92 -37.36 84.39 47.65 -38.54 84.24 48.40 -36.87 85.74 47.23 -37.00 86.73 2 0 23.28-999 ?-999 ?-999 ? O3 PO4 C 511 mVAL.B 37 47.81 -36.47 83.41 48.07 -35.54 83.65 48.50 -36.92 81.13 49.51 -36.26 81.36 47.35 -36.89 82.10 46.27 -35.93 81.58 3 0 25.10-999 ?-999 ?-999 ? O3 PO4 B 503 mPRO.B 38 48.38 -37.68 80.03 47.51 -38.18 79.96 49.53 -36.37 78.37 48.50 -35.76 78.08 49.46 -37.74 79.04 48.99 -38.83 78.07 3 0 23.27-999 ?-999 ?-999 ? O3 PO4 B 503 mLEU^B 39 50.74 -35.89 78.11 51.50 -36.49 78.38 51.25 -34.64 76.00 52.13 -35.39 75.57 50.92 -34.59 77.49 52.01 -33.83 78.23 3 0 19.54-999 ?-999 ?-999 ? O3 PO4 B 503 mVAL^B 40 50.54 -33.83 75.23 49.86 -33.29 75.73 51.28 -32.33 73.50 50.60 -31.35 73.76 50.75 -33.74 73.79 49.40 -33.98 73.03 3 0 17.03-999 ?-999 ?-999 ? O3 PO4 B 503 mSER^B 41 52.50 -32.22 72.99 52.99 -33.09 72.85 52.49 -30.44 71.33 52.51 -31.19 70.36 53.05 -30.91 72.66 54.57 -30.94 72.60 2 0 13.49-999 ?-999 ?-999 ? O3 PO4 B 503 mVAL^B 42 52.00 -29.21 71.30 52.07 -28.72 72.17 52.06 -27.33 69.70 52.38 -26.51 70.56 51.40 -28.65 70.09 49.90 -28.41 70.30 3 0 10.99-999 ?-999 ?-999 ? O2 PO4 B 503 mPHE^B 43 52.23 -27.14 68.39 51.86 -27.87 67.82 52.12 -25.33 66.70 51.37 -26.02 66.00 52.88 -25.95 67.87 54.29 -26.32 67.41 3 0 7.20-999 ?-999 ?-999 ? O2 PO4 B 503 mGLY.B 44 52.32 -24.03 66.49 52.94 -23.59 67.14 52.06 -21.87 65.36 52.79 -21.39 66.23 51.66 -23.33 65.41-999.99-999.99-999.99 1 0 -5.09-999 ?-999 ?-999 ? O2 PO4 B 503s mSER.B 45 51.57 -21.16 64.36 50.98 -21.67 63.74 51.40 -18.83 65.31 50.27 -18.93 65.77 51.88 -19.74 64.19 51.29 -19.24 62.88 2 0 -3.60-999 ?-999 ?-999 ? O1 PO4 B 503s mALA.B 46 52.27 -17.93 65.75 53.18 -17.96 65.33 51.06 -15.90 66.14 50.42 -15.13 66.83 51.88 -17.00 66.79 53.08 -16.40 67.44 2 0 -3.97-999 ?-999 ?-999 ? O1 PO4 B 503s mARG.B 47 51.06 -15.86 64.80 51.57 -16.61 64.38 49.00 -15.11 63.40 48.32 -14.20 62.96 50.38 -14.82 64.03 51.33 -14.33 62.94 2 0 5.68-999 ?-999 ?-999 ? O1 PO4 B 503 mPHE.B 48 48.60 -16.37 63.34 49.23 -17.05 63.71 46.20 -16.62 63.86 46.04 -17.55 64.66 47.29 -16.68 62.77 47.37 -18.06 62.10 3 0 8.06-999 ?-999 ?-999 ? O1 PO4 B 503 mGLY.B 49 45.47 -15.51 63.89 45.70 -14.84 63.18 43.03 -15.83 64.53 42.87 -16.61 63.59 44.42 -15.31 64.88-999.99-999.99-999.99 1 0 10.95-999 ?-999 ?-999 ? O1 PO4 B 503 mGLU.B 50 42.03 -15.39 65.29 42.31 -14.74 66.00 40.17 -15.73 63.65 40.31 -14.70 63.01 40.65 -15.83 65.09 39.68 -15.04 65.98 2 0 14.56-999 ?-999 ?-999 ? O1 PO4 B 503 mGLY.B 51 39.60 -16.81 63.15 39.54 -17.59 63.78 40.01 -17.62 60.89 39.52 -18.39 60.07 39.11 -16.82 61.79-999.99-999.99-999.99 1 0 16.21-999 ?-999 ?-999 ? O1 PO4 B 503 mHIS~B 52 41.32 -17.43 61.04 41.56 -16.77 61.75 42.13 -19.63 60.37 41.97 -20.14 61.47 42.32 -18.13 60.24 43.74 -17.73 60.68 3 0 13.44-999 ?-999 ?-999 ? O1 PO4 B 503 mPRO~B 53 42.15 -20.35 59.24 42.31 -19.80 58.41 42.83 -22.53 60.25 42.39 -23.49 60.87 41.97 -21.81 59.22 42.35 -22.20 57.79 3 0 14.62-999 ?-999 ?-999 ? O2 PO4 B 503 mALA~B 54 44.06 -22.07 60.41 44.29 -21.27 59.85 44.52 -22.48 62.79 44.66 -23.35 63.65 44.99 -22.69 61.35 46.41 -22.12 61.14 2 0 11.26-999 ?-999 ?-999 ? O2 PO4 B 503 mTYR~B 55 43.96 -21.31 63.06 43.91 -20.68 62.28 42.25 -21.92 64.67 42.21 -22.59 65.69 43.45 -21.00 64.38 43.02 -19.53 64.44 3 0 11.96-999 ?-999 ?-999 ? O1 PO4 B 503 mGLU~B 56 41.27 -21.94 63.77 41.42 -21.34 62.98 40.48 -24.24 64.14 39.91 -24.94 64.98 40.10 -22.78 63.96 39.14 -22.65 62.77 2 0 15.68-999 ?-999 ?-999 ? O1 PO4 B 503 mALA~B 57 41.44 -24.71 63.34 41.82 -24.05 62.70 42.55 -26.32 64.80 42.43 -27.38 65.41 41.86 -26.10 63.45 42.82 -26.45 62.30 2 0 14.93-999 ?-999 ?-999 ? O2 PO4 B 503 mGLY~B 58 43.26 -25.28 65.25 43.26 -24.48 64.66 43.00 -25.51 67.67 43.16 -26.38 68.53 43.96 -25.36 66.52-999.99-999.99-999.99 1 0 12.88-999 ?-999 ?-999 ? O2 PO4 B 503 mTYR~B 59 41.98 -24.66 67.69 41.97 -24.00 66.94 40.29 -26.07 68.75 40.08 -26.65 69.81 40.97 -24.71 68.74 39.93 -23.60 68.53 3 0 15.93-999 ?-999 ?-999 ? O2 PO4 B 503 mARG~B 60 39.95 -26.59 67.57 40.18 -26.02 66.78 40.22 -29.00 67.96 39.75 -30.00 68.51 39.30 -27.89 67.47 38.87 -28.17 66.03 2 0 18.26-999 ?-999 ?-999 ? O2 PO4 B 503 mLEU~B 61 41.52 -28.82 67.74 41.74 -27.96 67.29 42.60 -29.83 69.66 42.59 -30.88 70.30 42.52 -29.81 68.14 43.89 -29.43 67.58 3 0 16.62-999 ?-999 ?-999 ? O2 PO4 B 503 mGLY~B 62 42.70 -28.63 70.24 42.72 -27.85 69.62 41.54 -29.20 72.29 41.68 -30.13 73.09 42.76 -28.53 71.68-999.99-999.99-999.99 1 0 16.96-999 ?-999 ?-999 ? O2 PO4 B 503 mARG~B 63 40.36 -28.75 71.90 40.41 -28.00 71.23 39.12 -30.82 72.39 38.95 -31.46 73.42 39.11 -29.29 72.41 37.92 -28.76 71.58 2 0 20.47-999 ?-999 ?-999 ? O2 PO4 B 503 mALA~B 64 39.33 -31.39 71.21 39.48 -30.75 70.46 40.36 -33.59 71.90 40.09 -34.69 72.35 39.34 -32.85 71.04 39.58 -33.19 69.57 2 0 21.61-999 ?-999 ?-999 ? O2 PO4 B 503 mLEU~B 65 41.53 -32.99 72.11 41.62 -32.09 71.67 42.21 -33.68 74.39 42.50 -34.67 75.06 42.59 -33.60 72.91 43.89 -32.79 72.78 3 0 20.50-999 ?-999 ?-999 ? O2 PO4 B 503 mALA~B 66 41.57 -32.63 74.90 41.40 -31.89 74.24 40.01 -33.57 76.55 39.96 -34.23 77.59 41.15 -32.59 76.30 40.73 -31.19 76.68 2 0 22.24-999 ?-999 ?-999 ? O3 PO4 B 503 mGLU~B 67 39.10 -33.67 75.58 39.27 -33.08 74.79 38.36 -36.01 75.46 37.52 -36.91 75.55 37.96 -34.56 75.70 36.87 -34.15 74.71 2 0 25.39-999 ?-999 ?-999 ? O3 PO4 B 503 mALA.B 68 39.63 -36.23 75.17 40.20 -35.41 75.12 41.04 -37.98 76.10 41.54 -39.11 76.14 40.14 -37.57 74.94 40.90 -37.63 73.64 2 0 25.51-999 ?-999 ?-999 ? O2 PO4 B 503 mGLY.B 69 41.26 -37.06 77.03 40.81 -36.18 76.87 43.49 -36.79 78.17 44.23 -36.92 79.15 42.08 -37.35 78.19-999.99-999.99-999.99 1 0 25.65-999 ?-999 ?-999 ? O3 PO4 B 503 mPHE.B 70 43.88 -36.17 77.07 43.19 -36.13 76.34 45.26 -34.18 77.47 44.25 -33.48 77.49 45.22 -35.61 76.96 45.71 -35.60 75.51 3 0 22.20-999 ?-999 ?-999 ? O3 PO4 B 503 mGLY^B 71 46.45 -33.76 77.89 47.17 -34.46 77.88 47.47 -31.82 77.15 48.13 -32.57 76.42 46.67 -32.40 78.31-999.99-999.99-999.99 1 0 19.99-999 ?-999 ?-999 ? O3 PO4 B 503 mVAL^B 72 47.42 -30.51 76.95 46.84 -30.00 77.59 49.28 -28.98 76.39 49.10 -28.33 77.41 48.18 -29.90 75.86 47.23 -29.11 74.92 3 0 16.20-999 ?-999 ?-999 ? O3 PO4 B 503 mVAL^B 73 50.42 -28.95 75.70 50.41 -29.55 74.90 51.89 -27.26 74.86 52.24 -27.80 73.82 51.56 -28.11 76.08 52.82 -28.97 76.45 3 0 13.81-999 ?-999 ?-999 ? O3 PO4 B 503 mTHR^B 74 51.78 -25.95 75.00 51.49 -25.66 75.91 53.08 -23.97 74.39 53.48 -24.00 75.54 52.07 -25.02 73.90 50.82 -24.25 73.47 2 0 10.20-999 ?-999 ?-999 ? O3 PO4 B 503 mGLY.B 75 53.46 -23.06 73.50 53.07 -23.15 72.59 53.61 -20.95 74.69 54.17 -19.95 75.13 54.38 -22.01 73.90-999.99-999.99-999.99 1 0 8.11-999 ?-999 ?-999 ? O3 PO4 B 503 mGLY.B 76 52.32 -21.19 74.85 51.99 -22.03 74.44 51.42 -18.85 75.01 51.13 -17.89 75.73 51.47 -20.26 75.59-999.99-999.99-999.99 1 0 10.27-999 ?-999 ?-999 ? O3 PO4 B 503 mGLY.B 77 51.69 -18.72 73.72 51.91 -19.58 73.25 50.36 -17.21 72.31 49.40 -17.97 72.50 51.65 -17.42 73.08-999.99-999.99-999.99 1 0 8.18-999 ?-999 ?-999 ? O3 PO4 B 503 mPRO~B 78 50.29 -16.18 71.45 51.12 -15.63 71.39 48.88 -16.92 69.54 49.41 -18.01 69.58 49.07 -15.92 70.67 49.29 -14.50 70.13 3 0 8.76-999 ?-999 ?-999 ? O1 PO4 B 503 mGLY~B 79 48.07 -16.53 68.56 47.64 -15.64 68.69 47.24 -18.75 67.63 46.33 -18.93 68.45 47.85 -17.39 67.41-999.99-999.99-999.99 1 0 7.73-999 ?-999 ?-999 ? O1 PO4 B 503 mVAL~B 80 47.75 -19.74 66.90 48.50 -19.51 66.29 47.55 -21.67 68.38 46.89 -22.59 68.85 47.18 -21.07 67.04 47.58 -21.99 65.85 3 0 8.76-999 ?-999 ?-999 ? O1 PO4 B 503 mMETB 81 48.59 -21.13 69.01 49.06 -20.40 68.51 47.82 -21.25 71.26 47.28 -22.09 71.98 48.98 -21.61 70.33 50.28 -20.94 70.78 2 0 -8.36-999 ?-999 ?-999 ? O3 PO4 B 503s mGLU~B 82 47.44 -19.98 71.23 47.97 -19.40 70.60 45.08 -20.30 71.76 44.36 -20.69 72.68 46.35 -19.50 72.04 46.10 -18.02 71.75 2 0 11.19-999 ?-999 ?-999 ? O3 PO4 B 503 mALA~B 83 44.81 -20.55 70.47 45.49 -20.19 69.84 43.61 -22.71 70.62 42.57 -23.22 71.03 43.63 -21.30 70.04 43.56 -21.38 68.52 2 0 13.05-999 ?-999 ?-999 ? O1 PO4 B 503 mVAL~B 84 44.78 -23.34 70.64 45.55 -22.82 70.27 44.74 -24.71 72.69 44.13 -25.63 73.25 44.91 -24.69 71.16 46.28 -25.30 70.79 3 0 13.22-999 ?-999 ?-999 ? O3 PO4 B 503 mASN~B 85 45.31 -23.71 73.36 45.81 -23.05 72.80 43.73 -23.36 75.13 43.16 -23.95 76.04 45.19 -23.63 74.81 46.03 -22.48 75.37 2 0 14.36-999 ?-999 ?-999 ? O3 PO4 B 503 mARG~B 86 43.12 -22.47 74.35 43.70 -22.06 73.64 40.82 -23.34 74.33 39.95 -23.62 75.14 41.72 -22.13 74.55 41.31 -21.00 73.61 2 0 16.68-999 ?-999 ?-999 ? O3 PO4 B 503 mGLY~B 87 41.04 -24.06 73.24 41.79 -23.75 72.66 40.21 -26.24 74.10 39.17 -26.80 74.44 40.22 -25.22 72.97-999.99-999.99-999.99 1 0 18.09-999 ?-999 ?-999 ? O3 PO4 B 503 mALA~B 88 41.38 -26.49 74.68 42.15 -25.96 74.32 41.02 -26.85 77.07 40.39 -27.52 77.89 41.49 -27.46 75.75 42.92 -27.93 75.87 2 0 19.09-999 ?-999 ?-999 ? O3 PO4 B 503 mTYR~B 89 41.30 -25.57 77.25 41.80 -25.14 76.50 39.40 -24.91 78.68 38.93 -25.41 79.70 40.92 -24.88 78.47 41.38 -23.42 78.42 3 0 20.10-999 ?-999 ?-999 ? O3 PO4 B 503 mGLU~B 90 38.67 -24.38 77.71 39.19 -24.04 76.94 36.59 -25.70 77.86 35.48 -25.86 78.34 37.22 -24.32 77.79 36.66 -23.53 76.59 2 0 22.53-999 ?-999 ?-999 ? O3 PO4 B 503 mALA~B 91 37.32 -26.71 77.38 38.21 -26.45 77.01 37.15 -28.64 78.80 36.78 -29.78 79.12 36.81 -28.06 77.43 37.44 -28.89 76.33 2 0 23.80-999 ?-999 ?-999 ? O3 PO4 B 503 mGLY.B 92 37.88 -27.87 79.59 38.14 -26.99 79.19 39.45 -29.19 81.08 39.70 -29.72 82.17 38.24 -28.28 80.94-999.99-999.99-999.99 1 0 24.64-999 ?-999 ?-999 ? O3 PO4 B 503 mGLY.B 93 40.21 -29.38 80.01 39.92 -28.89 79.18 42.57 -29.49 80.61 42.50 -28.29 80.84 41.37 -30.25 80.09-999.99-999.99-999.99 1 0 22.82-999 ?-999 ?-999 ? O3 PO4 B 503 mVAL.B 94 43.68 -30.21 80.79 43.58 -31.18 80.59 45.54 -28.81 80.09 45.68 -29.32 78.98 44.92 -29.59 81.26 45.89 -30.68 81.75 3 0 21.19-999 ?-999 ?-999 ? O3 PO4 B 503 mSER^B 95 45.89 -27.56 80.35 45.73 -27.27 81.29 47.70 -25.98 79.86 47.62 -25.08 80.68 46.46 -26.69 79.32 45.41 -25.67 78.88 2 0 17.67-999 ?-999 ?-999 ? O3 PO4 B 503 mVAL^B 96 48.86 -26.41 79.38 48.78 -27.14 78.70 50.68 -24.84 78.80 50.55 -25.04 77.59 50.13 -25.84 79.81 51.19 -26.94 79.98 3 0 16.01-999 ?-999 ?-999 ? O3 PO4 B 503 mGLY^B 97 51.30 -23.80 79.32 51.32 -23.77 80.32 53.35 -22.63 78.91 53.63 -22.40 80.10 51.91 -22.79 78.47-999.99-999.99-999.99 1 0 13.20-999 ?-999 ?-999 ? O3 PO4 B 503 mLEU^B 98 54.28 -22.76 77.96 53.90 -22.96 77.05 56.12 -21.32 77.61 56.71 -21.29 76.51 55.71 -22.63 78.24 56.49 -23.79 77.62 3 0 12.28-999 ?-999 ?-999 ? O3 PO4 B 503 mASN^B 99 55.81 -20.24 78.32 55.39 -20.44 79.20 57.52 -18.46 77.77 58.27 -18.58 78.75 56.07 -18.89 77.83 55.26 -17.90 78.67 2 0 11.42-999 ?-999 ?-999 ? O3 PO4 B 503 mILE^B 100 57.90 -17.96 76.61 57.19 -17.92 75.91 59.30 -16.00 76.50 58.39 -15.31 76.03 59.27 -17.51 76.39 59.80 -17.97 74.99 3 0 10.64-999 ?-999 ?-999 ? O3 PO4 B 503 mGLU.B 101 60.33 -15.48 77.15 60.98 -16.15 77.51 61.27 -13.52 76.13 62.42 -13.92 75.90 60.48 -14.04 77.32 61.21 -13.73 78.63 2 0 12.91-999 ?-999 ?-999 ? O3 PO4 B 503 mLEU.B 102 60.65 -12.62 75.37 59.72 -12.39 75.67 61.47 -10.55 74.37 60.79 -9.92 75.19 61.29 -12.04 74.20 60.45 -12.30 72.94 3 0 11.89-999 ?-999 ?-999 ? O3 PO4 B 503 mPRO.B 103 62.39 -9.95 73.61 62.89 -10.57 73.00 61.37 -7.79 73.21 61.05 -6.70 73.69 62.64 -8.51 73.67 63.80 -8.32 72.71 3 0 14.60-999 ?-999 ?-999 ? O3 PO4 B 503 mHIS.B 104 60.66 -8.40 72.27 61.05 -9.27 71.96 58.29 -8.77 72.20 57.69 -9.49 71.40 59.41 -7.84 71.76 59.47 -7.75 70.24 3 0 13.11-999 ?-999 ?-999 ? O3 PO4 B 503 mGLU.B 105 58.03 -8.73 73.50 58.60 -8.08 74.01 55.62 -9.49 73.52 55.38 -8.91 72.46 57.01 -9.55 74.13 56.90 -9.19 75.61 2 0 12.48-999 ?-999 ?-999 ? O3 PO4 B 503 mGLN.B 106 54.72 -10.12 74.25 55.12 -10.56 75.06 52.80 -10.99 75.14 53.38 -12.02 75.49 53.30 -10.20 73.95 53.03 -10.96 72.66 2 0 12.14-999 ?-999 ?-999 ? O3 PO4 B 503 mLYS.B 107 51.76 -10.49 75.78 51.39 -9.65 75.40 50.85 -12.62 76.64 50.53 -12.98 75.50 51.22 -11.17 76.94 50.00 -10.40 77.48 2 0 14.15-999 ?-999 ?-999 ? O3 PO4 B 503 mPRO.B 108 50.93 -13.48 77.65 51.24 -13.06 78.51 49.10 -15.04 77.31 48.33 -14.27 77.87 50.61 -14.91 77.53 51.03 -15.47 78.89 3 0 13.13-999 ?-999 ?-999 ? O3 PO4 B 503 mASN.B 109 48.67 -16.00 76.50 49.37 -16.57 76.07 46.66 -16.49 77.67 47.37 -17.03 78.52 47.24 -16.16 76.30 46.93 -17.25 75.27 2 0 13.59-999 ?-999 ?-999 ? O3 PO4 B 503 mPRO.B 110 45.38 -16.17 77.91 44.91 -15.74 77.13 44.05 -17.80 79.30 43.02 -17.94 79.98 44.71 -16.43 79.19 43.66 -15.34 79.24 3 0 17.30-999 ?-999 ?-999 ? O3 PO4 B 503 mTYR.B 111 44.62 -18.82 78.66 45.46 -18.60 78.16 44.92 -21.24 79.20 44.84 -22.37 78.72 43.99 -20.13 78.72 43.41 -20.46 77.35 3 0 17.22-999 ?-999 ?-999 ? O3 PO4 B 503 mGLN.B 112 45.78 -20.91 80.16 45.69 -19.97 80.49 46.43 -22.33 82.11 46.33 -21.54 83.05 46.74 -21.86 80.69 48.15 -21.24 80.67 2 0 17.21-999 ?-999 ?-999 ? O3 PO4 B 503 mTHR.B 113 46.27 -23.64 82.27 46.35 -24.18 81.43 47.27 -24.03 84.38 47.23 -23.70 85.57 46.00 -24.21 83.57 45.68 -25.70 83.45 2 0 20.46-999 ?-999 ?-999 ? O3 PO4 B 503 mHIS^B 114 48.41 -24.27 83.74 48.29 -24.57 82.79 50.52 -23.23 83.42 50.58 -23.49 82.22 49.72 -24.10 84.36 50.44 -25.43 84.57 3 0 19.61-999 ?-999 ?-999 ? O3 PO4 B 503 mALA^B 115 51.12 -22.18 83.95 51.00 -22.07 84.94 53.31 -21.19 83.62 53.55 -20.89 84.79 51.89 -21.28 83.12 51.26 -19.92 83.13 2 0 17.32-999 ?-999 ?-999 ? O3 PO4 B 503 mLEU^B 116 54.24 -21.49 82.74 53.90 -21.75 81.83 56.24 -20.31 82.24 55.91 -20.16 81.06 55.65 -21.42 83.07 56.34 -22.76 82.78 3 0 16.79-999 ?-999 ?-999 ? O3 PO4 B 503 mSER^B 117 57.12 -19.53 82.85 57.29 -19.77 83.80 59.26 -18.71 82.06 59.96 -18.78 83.06 57.76 -18.42 82.17 57.51 -17.13 82.97 2 0 15.88-999 ?-999 ?-999 ? O3 PO4 B 503 mLEU^B 118 59.74 -18.90 80.83 59.06 -18.81 80.11 61.85 -18.09 79.84 61.26 -17.38 79.02 61.15 -19.20 80.58 61.31 -20.47 79.72 3 0 15.06-999 ?-999 ?-999 ? O3 PO4 B 503 mARG.B 119 63.14 -17.97 80.11 63.48 -18.62 80.78 64.73 -17.61 78.32 65.10 -16.95 77.35 63.97 -16.96 79.49 64.92 -16.39 80.55 2 0 15.48-999 ?-999 ?-999 ? O3 PO4 B 503 mTYR~B 120 64.93 -18.93 78.40 64.53 -19.37 79.20 64.88 -20.61 76.51 64.15 -21.47 77.03 65.67 -19.63 77.36 66.86 -20.34 77.99 3 0 14.60-999 ?-999 ?-999 ? O3 PO4 B 503 mPHE~B 121 65.05 -20.49 75.20 65.67 -19.76 74.93 64.76 -22.83 74.49 63.88 -23.71 74.48 64.38 -21.37 74.25 64.76 -21.00 72.80 3 0 11.65-999 ?-999 ?-999 ? O3 PO4 B 503 mPHE~B 122 66.05 -23.09 74.72 66.64 -22.29 74.75 65.88 -25.15 76.09 65.59 -26.34 76.03 66.51 -24.46 74.89 68.06 -24.52 74.90 3 0 14.44-999 ?-999 ?-999 ? O3 PO4 B 503 mVAL~B 123 65.63 -24.42 77.16 65.92 -23.46 77.11 63.55 -25.34 77.89 63.02 -26.43 78.12 64.98 -25.03 78.32 64.95 -24.07 79.51 3 0 15.96-999 ?-999 ?-999 ? O3 PO4 B 503 mARG~B 124 62.92 -24.36 77.25 63.47 -23.53 77.14 61.48 -25.72 75.79 60.49 -26.45 75.79 61.56 -24.52 76.75 61.13 -23.23 76.04 2 0 12.83-999 ?-999 ?-999 ? O3 PO4 B 503 mLYS~B 125 62.53 -25.93 75.00 63.27 -25.26 75.12 62.68 -28.40 74.73 61.99 -29.33 74.34 62.59 -27.03 74.04 63.77 -26.85 73.09 2 0 12.68-999 ?-999 ?-999 ? O3 PO4 B 503 mVAL~B 126 63.52 -28.50 75.76 64.04 -27.68 75.96 62.32 -30.07 77.18 61.91 -31.24 77.22 63.65 -29.75 76.50 64.72 -29.66 77.58 3 0 16.39-999 ?-999 ?-999 ? O3 PO4 B 503 mLEU~B 127 61.67 -29.05 77.74 62.13 -28.17 77.64 59.29 -29.68 77.46 58.33 -30.33 77.87 60.39 -29.26 78.42 59.97 -28.00 79.21 3 0 16.19-999 ?-999 ?-999 ? O3 PO4 B 503 mPHE~B 128 59.41 -29.32 76.18 60.23 -28.78 75.98 58.53 -31.17 74.84 57.56 -31.80 74.43 58.41 -29.69 75.18 58.60 -28.89 73.88 3 0 13.79-999 ?-999 ?-999 ? O3 PO4 B 503 mVAL~B 129 59.72 -31.71 75.03 60.40 -31.08 75.40 60.02 -34.09 75.88 59.49 -35.20 75.77 60.00 -33.11 74.71 61.37 -33.23 74.01 3 0 16.58-999 ?-999 ?-999 ? O3 PO4 B 503 mARG~B 130 60.64 -33.69 76.98 60.99 -32.75 76.93 59.59 -35.42 78.52 59.76 -36.60 78.80 60.79 -34.56 78.14 61.22 -33.73 79.36 2 0 19.81-999 ?-999 ?-999 ? O3 PO4 B 503 mTYR~B 131 58.39 -34.85 78.51 58.39 -33.89 78.22 56.12 -35.71 77.82 54.94 -35.83 78.14 57.19 -35.58 78.90 56.54 -34.90 80.12 3 0 20.53-999 ?-999 ?-999 ? O3 PO4 B 503 mALA^B 132 56.50 -35.71 76.55 57.49 -35.63 76.40 55.20 -37.19 74.99 56.11 -38.01 74.82 55.49 -35.80 75.50 55.89 -34.92 74.32 2 0 18.83-999 ?-999 ?-999 ? O3 PO4 B 503 mVAL^B 133 53.93 -37.47 74.76 53.28 -36.74 74.99 53.28 -38.54 72.71 52.82 -39.43 72.02 53.54 -38.76 74.20 52.25 -39.32 74.85 3 0 21.03-999 ?-999 ?-999 ? O2 PO4 B 503 mGLY^B 134 53.60 -37.34 72.23 53.98 -36.70 72.90 53.51 -35.53 70.56 53.45 -34.72 71.50 53.39 -37.03 70.83-999.99-999.99-999.99 1 0 18.06-999 ?-999 ?-999 ? O2 PO4 B 503 mPHE^B 135 53.66 -35.16 69.29 53.65 -35.92 68.63 52.94 -33.43 67.70 52.86 -34.21 66.74 53.82 -33.76 68.90 55.28 -33.47 68.53 3 0 14.31-999 ?-999 ?-999 ? O2 PO4 B 503 mVAL^B 136 52.28 -32.28 67.73 52.41 -31.72 68.55 51.80 -30.52 66.09 51.85 -29.57 66.87 51.45 -31.91 66.59 49.94 -31.97 66.96 3 0 12.51-999 ?-999 ?-999 ? O2 PO4 B 503 mPHE^B 137 52.07 -30.41 64.79 51.99 -31.26 64.27 51.38 -28.57 63.26 51.04 -29.17 62.25 52.43 -29.13 64.21 53.78 -29.21 63.45 3 0 9.33-999 ?-999 ?-999 ? O2 PO4 B 503 mLEU.B 138 50.86 -27.40 63.61 51.19 -27.04 64.48 50.69 -25.73 61.96 51.87 -25.50 62.24 49.88 -26.73 62.78 48.86 -26.01 63.67 3 0 8.70-999 ?-999 ?-999 ? O2 PO4 B 503 mPRO.B 139 50.10 -25.15 60.90 49.15 -25.43 60.73 51.51 -23.10 60.92 50.88 -22.51 61.80 50.83 -24.19 60.07 49.74 -23.64 59.15 3 0 7.42-999 ?-999 ?-999 ? O2 PO4 B 503 mGLY.B 140 52.79 -22.85 60.67 53.20 -23.41 59.95 54.64 -21.15 60.67 54.65 -21.14 59.44 53.50 -21.84 61.43-999.99-999.99-999.99 1 0 3.82-999 ?-999 ?-999 ? O2 PO4 B 503 mGLY~B 141 55.60 -20.60 61.43 55.46 -20.70 62.41 58.11 -20.38 61.32 58.33 -21.58 61.47 56.74 -19.91 60.83-999.99-999.99-999.99 1 0 -3.62-999 ?-999 ?-999 ? O2 PO4 B 503s mPHE~B 142 59.03 -19.45 61.56 58.74 -18.51 61.43 60.37 -20.73 63.26 61.02 -21.79 63.32 60.38 -19.87 61.99 61.30 -18.66 62.20 3 0 -4.10-999 ?-999 ?-999 ? O4 PO4 B 503s mGLY~B 143 59.63 -20.28 64.27 59.15 -19.42 64.09 59.01 -22.42 65.38 59.52 -23.34 66.01 59.55 -21.01 65.52-999.99-999.99-999.99 1 0 -3.35-999 ?-999 ?-999 ? O4 PO4 B 503s mTHR~B 144 57.97 -22.60 64.55 57.67 -21.78 64.08 58.30 -24.87 63.62 58.40 -26.05 63.94 57.36 -23.92 64.36 56.02 -23.81 63.60 2 0 -3.97-999 ?-999 ?-999 ? O2 PO4 B 503s mLEU~B 145 59.00 -24.35 62.63 58.82 -23.38 62.46 61.10 -25.51 62.81 61.69 -26.60 62.73 59.94 -25.14 61.87 60.48 -24.31 60.71 3 0 6.88-999 ?-999 ?-999 ? O2 PO4 B 503 mASP~B 146 61.42 -24.57 63.69 60.87 -23.74 63.64 62.19 -26.00 65.49 63.01 -26.92 65.59 62.50 -24.77 64.66 62.64 -23.55 65.56 2 0 7.97-999 ?-999 ?-999 ? O4 PO4 B 503 mGLU~B 147 61.00 -26.01 66.08 60.45 -25.20 65.91 60.51 -28.43 66.10 60.96 -29.47 66.56 60.58 -27.13 66.90 59.21 -26.85 67.51 2 0 8.81-999 ?-999 ?-999 ? O2 PO4 B 503 mLEU~B 148 59.95 -28.37 64.90 59.61 -27.47 64.63 61.20 -30.20 63.77 61.42 -31.40 64.03 59.84 -29.56 64.07 59.16 -29.21 62.75 3 0 10.13-999 ?-999 ?-999 ? O2 PO4 B 503 mSER~B 149 62.10 -29.41 63.20 61.82 -28.46 63.06 64.07 -30.54 64.03 64.75 -31.56 63.93 63.41 -29.93 62.83 64.29 -28.82 62.24 2 0 10.22-999 ?-999 ?-999 ? O3 PO4 A 501 mGLU~B 150 63.83 -29.93 65.19 63.24 -29.13 65.15 63.90 -31.82 66.76 64.68 -32.73 67.04 64.43 -30.44 66.41 64.18 -29.49 67.57 2 0 10.99-999 ?-999 ?-999 ? O3 PO4 A 501 mVAL~B 151 62.58 -31.99 66.77 62.05 -31.17 66.56 62.44 -34.33 66.03 62.74 -35.49 66.36 62.02 -33.29 67.09 60.46 -33.24 67.18 3 0 12.46-999 ?-999 ?-999 ? O3 PO4 A 501 mLEU~B 152 62.47 -33.92 64.77 62.21 -32.97 64.59 64.24 -35.42 64.05 64.44 -36.64 64.02 62.86 -34.86 63.74 62.80 -34.22 62.36 3 0 9.88-999 ?-999 ?-999 ? O3 PO4 A 501 mVAL~B 153 65.19 -34.55 64.36 64.91 -33.60 64.36 66.56 -35.99 65.86 67.06 -37.10 65.73 66.54 -35.01 64.69 67.46 -33.84 65.06 3 0 7.40-999 ?-999 ?-999 ? O3 PO4 A 501 mLEU~B 154 66.01 -35.57 66.99 65.64 -34.65 66.96 65.41 -37.83 67.88 65.90 -38.83 68.42 65.99 -36.43 68.18 65.19 -35.75 69.31 3 0 10.59-999 ?-999 ?-999 ? O3 PO4 A 501 mLEU~B 155 64.37 -37.89 67.04 64.07 -37.01 66.69 64.61 -39.97 65.71 64.90 -41.15 65.94 63.75 -39.17 66.68 62.38 -38.96 66.04 3 0 11.65-999 ?-999 ?-999 ? O3 PO4 A 501 mGLN~B 156 64.99 -39.33 64.61 64.67 -38.38 64.55 67.09 -40.57 64.21 67.54 -41.65 63.85 65.82 -39.98 63.59 66.22 -38.96 62.52 2 0 8.92-999 ?-999 ?-999 ? O3 PO4 A 501 mTHR~B 157 67.65 -39.84 65.17 67.14 -39.00 65.39 68.63 -41.12 67.05 69.56 -41.63 67.69 68.88 -40.24 65.83 69.66 -38.97 66.22 2 0 8.89-999 ?-999 ?-999 ? O3 PO4 A 501 mGLU.B 158 67.36 -41.30 67.38 66.70 -40.82 66.80 67.49 -41.63 69.85 67.81 -42.43 70.74 66.97 -42.13 68.51 67.40 -43.59 68.25 2 0 12.62-999 ?-999 ?-999 ? O3 PO4 A 501 mLYS.B 159 67.59 -40.32 70.02 67.34 -39.77 69.22 66.86 -39.77 72.25 67.03 -39.74 73.47 68.04 -39.77 71.29 68.58 -38.36 71.13 2 0 13.39-999 ?-999 ?-999 ? O3 PO4 A 501 mVAL.B 160 65.66 -39.80 71.68 65.67 -39.80 70.68 63.58 -40.92 71.90 63.61 -41.18 70.70 64.45 -39.82 72.48 63.69 -38.49 72.38 3 0 15.77-999 ?-999 ?-999 ? O3 PO4 A 501 mHIS.B 161 62.81 -41.58 72.76 62.89 -41.29 73.71 61.02 -42.10 71.23 60.66 -40.92 71.25 61.94 -42.64 72.30 61.09 -43.19 73.45 3 0 17.99-999 ?-999 ?-999 ? O3 PO4 A 501 mARG.B 162 60.66 -42.96 70.29 61.05 -43.87 70.39 58.42 -42.15 69.78 58.04 -42.54 70.88 59.77 -42.58 69.21 59.57 -43.76 68.26 2 0 17.32-999 ?-999 ?-999 ? O3 PO4 A 501 mPHE.B 163 57.72 -41.34 69.01 58.18 -41.10 68.16 55.84 -40.31 68.08 56.60 -39.92 67.20 56.39 -40.86 69.37 56.45 -39.77 70.43 3 0 19.28-999 ?-999 ?-999 ? O3 PO4 A 501 mPRO.B 164 54.52 -40.29 67.94 54.03 -40.65 68.74 54.07 -38.31 66.51 54.01 -37.50 67.43 53.85 -39.80 66.75 52.38 -40.09 67.04 3 0 19.68-999 ?-999 ?-999 ? O2 PO4 B 503 mVAL^B 165 54.34 -37.95 65.25 54.39 -38.71 64.61 53.55 -36.26 63.76 53.54 -36.93 62.74 54.54 -36.56 64.89 55.99 -36.29 64.41 3 0 16.26-999 ?-999 ?-999 ? O2 PO4 B 503 mPHE^B 166 52.71 -35.26 63.95 52.80 -34.78 64.82 51.88 -33.51 62.42 52.21 -32.60 63.18 51.73 -34.92 62.93 50.31 -35.10 63.46 3 0 15.13-999 ?-999 ?-999 ? O2 PO4 B 503 mLEU^B 167 51.66 -33.34 61.12 51.46 -34.18 60.62 50.33 -31.80 59.94 49.87 -32.54 59.08 51.72 -32.04 60.49 52.72 -32.02 59.35 3 0 12.88-999 ?-999 ?-999 ? O2 PO4 B 503 mLEU^B 168 49.65 -30.78 60.44 50.13 -30.26 61.15 48.28 -29.47 58.81 49.00 -28.46 58.82 48.30 -30.47 59.97 47.45 -29.96 61.13 3 0 13.20-999 ?-999 ?-999 ? O2 PO4 B 503 mASP~B 169 47.44 -29.76 57.81 46.94 -30.61 57.97 48.33 -29.29 55.56 49.40 -28.67 55.49 47.28 -28.94 56.61 47.32 -27.44 56.95 2 0 14.20-999 ?-999 ?-999 ? O2 PO4 B 503 mARG~B 170 48.02 -30.31 54.76 47.12 -30.70 54.95 49.46 -29.73 52.77 50.65 -29.70 52.51 48.90 -30.80 53.70 48.16 -31.83 52.85 2 0 16.29-999 ?-999 ?-999 ? O2 PO4 B 503 mGLY~B 171 48.59 -28.86 52.27 47.64 -28.98 52.56 50.00 -26.81 51.92 50.81 -26.26 51.19 49.03 -27.83 51.35-999.99-999.99-999.99 1 0 16.30-999 ?-999 ?-999 ? O2 PO4 B 503 mTYR~B 172 49.90 -26.54 53.22 49.18 -27.03 53.70 52.19 -26.17 53.96 53.19 -25.48 53.76 50.78 -25.57 53.84 50.29 -25.22 55.25 3 0 12.61-999 ?-999 ?-999 ? O2 PO4 B 503 mTRP~B 173 52.25 -27.46 54.28 51.36 -27.90 54.37 54.11 -28.79 53.26 55.26 -29.24 53.31 53.51 -28.15 54.49 53.35 -29.23 55.56 3 0 12.66-999 ?-999 ?-999 ? O2 PO4 B 503 mGLU~B 174 53.35 -28.86 52.17 52.44 -28.46 52.27 55.26 -29.03 50.60 56.14 -29.85 50.35 53.84 -29.49 50.94 52.92 -29.18 49.77 2 0 16.23-999 ?-999 ?-999 ? O2 PO4 B 503 mGLY~B 175 55.46 -27.71 50.56 54.66 -27.15 50.78 57.91 -27.79 51.01 58.90 -28.20 50.42 56.76 -27.17 50.23-999.99-999.99-999.99 1 0 15.62-999 ?-999 ?-999 ? O2 PO4 B 503 mLEU~B 176 57.79 -27.87 52.34 56.93 -27.51 52.70 59.02 -29.95 52.91 60.15 -30.42 52.72 58.84 -28.45 53.18 58.49 -28.26 54.65 3 0 14.08-999 ?-999 ?-999 ? O2 PO4 B 503 mVAL~B 177 57.92 -30.69 52.90 57.08 -30.17 53.08 58.69 -32.50 51.36 59.50 -33.43 51.34 57.95 -32.13 52.66 56.50 -32.72 52.62 3 0 15.60-999 ?-999 ?-999 ? O3 PO4 A 501 mARG~B 178 58.44 -31.76 50.29 57.77 -31.03 50.43 60.62 -31.78 49.07 61.40 -32.53 48.50 59.11 -32.04 49.02 58.48 -31.22 47.90 2 0 16.58-999 ?-999 ?-999 ? O1 PO4 A 501 mTRP~B 179 61.02 -30.70 49.74 60.29 -30.14 50.14 63.08 -31.54 50.65 64.19 -31.99 50.35 62.44 -30.41 49.85 62.65 -29.06 50.55 3 0 13.62-999 ?-999 ?-999 ? O1 PO4 A 501 mLEU~B 180 62.38 -32.03 51.67 61.49 -31.59 51.83 63.05 -34.37 51.60 63.95 -35.19 51.81 62.92 -33.12 52.47 62.01 -33.41 53.68 3 0 11.37-999 ?-999 ?-999 ? O3 PO4 A 501 mALA~B 181 62.17 -34.51 50.62 61.49 -33.77 50.56 63.45 -35.49 48.82 64.07 -36.47 48.40 62.23 -35.66 49.72 60.96 -35.75 48.88 2 0 13.64-999 ?-999 ?-999 ? O3 PO4 A 501 mPHE~B 182 63.78 -34.24 48.54 63.17 -33.55 48.93 66.16 -34.32 48.56 67.14 -34.88 48.06 64.94 -33.92 47.72 64.94 -32.41 47.39 3 0 13.28-999 ?-999 ?-999 ? O1 PO4 A 501 mLEU~B 183 66.08 -34.06 49.87 65.24 -33.63 50.18 67.39 -35.94 50.69 68.52 -36.44 50.65 67.19 -34.41 50.74 66.93 -33.90 52.17 3 0 9.61-999 ?-999 ?-999 ? O1 PO4 A 501 mARG~B 184 66.27 -36.67 50.68 65.42 -36.14 50.72 66.89 -38.55 49.25 67.60 -39.54 49.17 66.32 -38.12 50.61 64.91 -38.72 50.82 2 0 10.90-999 ?-999 ?-999 ? O3 PO4 A 501 mASP~B 185 66.58 -37.81 48.19 65.98 -37.03 48.38 68.61 -37.97 46.87 69.34 -38.72 46.23 67.10 -38.15 46.87 66.48 -37.25 45.79 2 0 13.69-999 ?-999 ?-999 ? O2 PO4 A 501 mGLN~B 186 69.07 -36.94 47.58 68.34 -36.41 48.03 71.17 -37.54 48.72 72.37 -37.43 48.96 70.48 -36.61 47.71 70.64 -35.17 48.20 2 0 11.27-999 ?-999 ?-999 ? O2 PO4 A 501 mLYS.B 187 70.39 -38.43 49.34 69.44 -38.42 49.04 71.37 -38.57 51.63 72.22 -39.05 52.38 70.92 -39.33 50.37 72.08 -40.18 49.82 2 0 9.55-999 ?-999 ?-999 ? O2 PO4 A 501 mALA.B 188 70.80 -37.39 51.87 70.13 -37.10 51.18 70.41 -37.15 54.28 70.86 -36.98 55.41 71.16 -36.61 53.06 70.85 -35.14 52.85 2 0 6.16-999 ?-999 ?-999 ? O2 PO4 A 501 mVAL.B 189 69.25 -37.77 54.05 68.98 -37.78 53.09 68.20 -39.82 54.71 68.17 -40.11 53.51 68.48 -38.38 55.13 67.13 -37.65 55.38 3 0 6.52-999 ?-999 ?-999 ? O3 PO4 A 501 mGLY.B 190 68.02 -40.71 55.68 68.07 -40.34 56.61 66.55 -42.40 54.54 65.67 -41.55 54.41 67.78 -42.11 55.37-999.99-999.99-999.99 1 0 9.29-999 ?-999 ?-999 ? O3 PO4 A 501 mPRO.B 191 66.44 -43.61 53.97 67.22 -44.21 54.17 63.97 -44.05 53.86 62.92 -43.85 53.24 65.31 -44.03 53.13 65.71 -45.43 52.68 3 0 12.93-999 ?-999 ?-999 ? O3 PO4 A 501 mGLU~B 192 63.99 -44.31 55.16 64.91 -44.45 55.54 62.56 -43.16 56.88 61.59 -43.11 57.63 62.76 -44.36 55.95 62.73 -45.65 56.79 2 0 13.61-999 ?-999 ?-999 ? O3 PO4 A 501 mASP~B 193 63.47 -42.19 56.82 64.19 -42.34 56.15 62.14 -40.13 57.50 61.71 -39.49 58.45 63.38 -41.02 57.68 64.64 -40.17 57.53 2 0 10.60-999 ?-999 ?-999 ? O3 PO4 A 501 mLEU~B 194 61.58 -40.08 56.30 62.03 -40.64 55.60 59.14 -39.86 56.66 58.09 -39.20 56.70 60.40 -39.26 56.06 60.19 -39.03 54.57 3 0 12.67-999 ?-999 ?-999 ? O3 PO4 A 501 mGLN~B 195 59.23 -41.10 57.12 60.12 -41.54 57.02 58.02 -41.37 59.22 57.10 -41.78 59.92 58.07 -41.71 57.73 58.08 -43.22 57.49 2 0 15.44-999 ?-999 ?-999 ? O3 PO4 A 501 mLEU~B 196 59.00 -40.60 59.68 59.68 -40.35 58.99 57.91 -39.24 61.42 57.60 -39.01 62.59 59.08 -40.18 61.08 60.41 -39.45 61.32 3 0 13.88-999 ?-999 ?-999 ? O3 PO4 A 501 mPHE~B 197 57.27 -38.67 60.40 57.63 -38.92 59.51 54.97 -38.15 59.68 55.15 -38.94 58.75 56.12 -37.77 60.62 56.53 -36.31 60.38 3 0 15.96-999 ?-999 ?-999 ? O3 PO4 A 501 mARG^B 198 53.80 -37.57 59.92 53.80 -36.93 60.69 51.79 -36.64 58.82 51.56 -35.83 59.71 52.64 -37.87 59.10 51.78 -38.93 59.78 2 0 18.50-999 ?-999 ?-999 ? O2 PO4 B 503 mLEU^B 199 51.31 -36.53 57.58 51.59 -37.29 56.98 48.99 -35.75 57.22 48.58 -36.87 56.94 50.47 -35.42 57.15 50.78 -35.06 55.70 3 0 17.43-999 ?-999 ?-999 ? O2 PO4 B 503 mTHR^B 200 48.18 -34.76 57.59 48.64 -33.91 57.82 46.06 -33.61 57.55 46.69 -32.57 57.74 46.74 -34.96 57.65 46.26 -35.65 58.97 2 0 18.33-999 ?-999 ?-999 ? O2 PO4 B 503 mASP.B 201 44.76 -33.63 57.24 44.38 -34.55 57.10 42.92 -32.39 58.20 42.18 -31.41 58.32 43.99 -32.41 57.14 43.33 -32.31 55.77 2 0 18.19-999 ?-999 ?-999 ? O2 PO4 B 503 mGLU~B 202 42.83 -33.45 58.99 43.52 -34.15 58.83 42.32 -33.70 61.45 43.03 -34.66 61.75 41.79 -33.54 60.01 40.87 -34.73 59.66 2 0 19.58-999 ?-999 ?-999 ? O2 PO4 B 503 mPRO~B 203 41.97 -32.77 62.35 41.38 -32.04 62.00 41.97 -34.18 64.35 42.75 -34.90 65.00 42.44 -32.87 63.73 41.79 -31.66 64.40 3 0 18.19-999 ?-999 ?-999 ? O2 PO4 B 503 mGLU~B 204 40.70 -34.48 64.14 40.21 -33.80 63.60 40.96 -36.92 64.38 41.13 -37.78 65.25 40.08 -35.70 64.65 38.71 -35.90 64.00 2 0 21.84-999 ?-999 ?-999 ? O2 PO4 B 503 mGLU~B 205 41.52 -36.99 63.18 41.32 -36.23 62.57 43.62 -38.17 63.69 44.08 -39.26 64.06 42.37 -38.12 62.82 42.73 -38.03 61.34 2 0 22.21-999 ?-999 ?-999 ? O2 PO4 B 503 mVAL~B 206 44.17 -37.01 64.03 43.70 -36.21 63.66 45.03 -37.47 66.26 45.74 -38.30 66.81 45.36 -36.92 64.88 45.84 -35.45 65.05 3 0 19.50-999 ?-999 ?-999 ? O2 PO4 B 503 mVAL~B 207 43.93 -37.00 66.83 43.43 -36.33 66.28 43.24 -38.95 68.22 43.57 -39.61 69.21 43.52 -37.45 68.15 42.28 -36.68 68.61 3 0 21.31-999 ?-999 ?-999 ? O2 PO4 B 503 mGLN~B 208 42.64 -39.50 67.17 42.42 -38.86 66.43 43.64 -41.71 67.18 43.78 -42.69 67.92 42.33 -40.92 67.13 41.57 -41.28 65.85 2 0 24.65-999 ?-999 ?-999 ? O2 PO4 B 503 mALA~B 209 44.60 -41.26 66.37 44.34 -40.46 65.83 46.66 -41.88 67.61 47.40 -42.81 67.93 45.91 -41.90 66.28 46.74 -41.21 65.21 2 0 23.72-999 ?-999 ?-999 ? O2 PO4 B 503 mLEU~B 210 46.48 -40.81 68.38 45.87 -40.12 68.00 46.43 -41.57 70.69 47.04 -42.16 71.58 47.15 -40.70 69.68 47.13 -39.24 70.16 3 0 22.70-999 ?-999 ?-999 ? O2 PO4 B 503 mLYS~B 211 45.11 -41.63 70.54 44.77 -41.09 69.77 44.51 -43.90 71.23 43.59 -44.72 71.25 44.24 -42.40 71.42 42.79 -42.08 71.07 2 0 25.83-999 ?-999 ?-999 ? O2 PO4 B 503 mALA.B 212 45.78 -44.25 71.04 46.43 -43.49 71.05 47.67 -45.88 71.03 48.41 -44.88 71.23 46.17 -45.65 70.84 45.76 -46.10 69.44 2 0 27.79-999 ?-999 ?-999 ? O2 PO4 B 503 mPRO.C 2 46.58 -32.26 101.17 46.53 -33.12 100.68 48.09 -30.43 101.97 48.99 -31.11 102.47 46.66 -30.97 101.90 46.12 -31.23 103.30 3 0 15.45-999 ?-999 ?-999 ? O1 PO4 C 511 mLYS.C 3 48.30 -29.22 101.47 47.48 -28.78 101.09 49.94 -28.02 102.86 49.06 -27.95 103.74 49.62 -28.59 101.48 49.69 -27.46 100.44 2 0 13.21-999 ?-999 ?-999 ? O1 PO4 C 511 mLYS.C 4 51.19 -27.60 103.05 51.77 -27.70 102.24 52.21 -25.63 104.18 52.35 -25.12 103.07 51.65 -27.06 104.33 52.73 -27.98 104.91 2 0 11.44-999 ?-999 ?-999 ? O1 PO4 C 511 mPRO~C 5 52.52 -24.97 105.31 52.35 -25.46 106.16 54.39 -23.67 104.48 55.08 -24.69 104.50 53.06 -23.61 105.24 53.26 -23.24 106.71 3 0 12.37-999 ?-999 ?-999 ? O1 PO4 C 511 mLEU~C 6 54.75 -22.57 103.82 54.11 -21.81 103.93 57.23 -23.19 103.56 57.77 -24.08 102.92 55.97 -22.50 103.00 56.28 -21.04 102.66 3 0 11.71-999 ?-999 ?-999 ? O1 PO4 C 511 mILE~C 7 57.68 -22.78 104.73 57.13 -22.07 105.17 58.85 -24.86 105.44 59.83 -25.53 105.13 58.89 -23.34 105.31 59.20 -22.67 106.68 3 0 9.57-999 ?-999 ?-999 ? O1 PO4 C 511 mASP~C 8 57.71 -25.40 105.86 56.98 -24.75 106.06 57.63 -27.61 104.68 57.58 -28.84 104.67 57.58 -26.85 106.01 56.28 -27.20 106.74 2 0 7.02-999 ?-999 ?-999 ? O1 PO4 C 511 mGLN~C 9 57.71 -26.90 103.57 57.71 -25.91 103.70 59.26 -27.70 101.90 59.59 -28.10 100.79 57.80 -27.55 102.26 57.11 -26.71 101.19 2 0 6.94-999 ?-999 ?-999 ? O1 PO4 C 511 mLEU~C 10 60.15 -27.35 102.83 59.75 -27.01 103.68 62.04 -28.80 103.15 62.06 -29.01 104.37 61.58 -27.46 102.59 62.31 -26.28 103.24 3 0 -5.68-999 ?-999 ?-999 ? O1 PO4 C 511s mHIS.C 11 62.38 -29.70 102.24 62.29 -29.37 101.29 64.31 -31.18 102.30 64.80 -30.69 101.28 62.82 -31.04 102.59 62.00 -32.06 101.80 3 0 -3.21-999 ?-999 ?-999 ? O1 PO4 C 511s mHIS.C 12 65.04 -31.84 103.18 64.54 -32.22 103.96 66.80 -32.74 101.69 67.82 -32.49 101.06 66.47 -31.97 102.97 67.16 -32.59 104.21 3 0 4.02-999 ?-999 ?-999 ? O2 PO4 C 511s mGLU.C 13 65.91 -33.62 101.25 65.08 -33.69 101.81 66.01 -33.61 98.74 66.58 -34.00 97.71 66.17 -34.39 100.04 65.26 -35.63 99.98 2 0 -5.99-999 ?-999 ?-999 ? O2 PO4 C 511s mASP~C 14 65.26 -32.52 98.78 64.90 -32.30 99.68 65.96 -30.58 97.32 65.54 -29.41 97.25 65.00 -31.74 97.58 63.56 -31.20 97.63 2 0 8.22-999 ?-999 ?-999 ? O2 PO4 C 511 mSER~C 15 67.24 -30.93 97.16 67.39 -31.91 97.21 68.16 -29.07 95.70 68.43 -27.87 95.76 68.31 -29.96 96.93 69.65 -30.69 96.82 2 0 10.09-999 ?-999 ?-999 ? O1 PO4 D 508 mTRP~C 16 67.75 -29.65 94.58 67.54 -30.62 94.65 66.66 -27.70 93.46 66.86 -26.66 92.83 67.63 -28.87 93.35 67.24 -29.76 92.17 3 0 13.59-999 ?-999 ?-999 ? O2 PO4 C 511 mARG~C 17 65.62 -27.86 94.27 65.59 -28.74 94.74 65.25 -25.54 95.04 64.68 -24.46 94.98 64.63 -26.80 94.43 63.46 -27.30 95.30 2 0 12.54-999 ?-999 ?-999 ? O1 PO4 C 511 mLEU~C 18 66.44 -25.69 95.62 66.79 -26.63 95.59 67.62 -23.56 95.18 67.80 -22.38 95.50 67.16 -24.58 96.22 68.38 -25.10 97.00 3 0 13.17-999 ?-999 ?-999 ? O1 PO4 C 511 mPHE~C 19 67.81 -24.00 93.94 67.63 -24.98 93.80 67.20 -22.07 92.54 67.49 -21.02 91.97 68.26 -23.09 92.90 68.72 -23.87 91.68 3 0 16.65-999 ?-999 ?-999 ? O3 PO4 C 507 mARG~C 20 65.96 -22.36 92.90 65.83 -23.25 93.34 65.13 -20.24 93.58 64.92 -19.09 93.21 64.89 -21.42 92.64 63.55 -22.08 92.90 2 0 16.65-999 ?-999 ?-999 ? O3 PO4 C 507 mILE~C 21 65.56 -20.52 94.80 65.67 -21.49 95.00 67.04 -18.65 95.20 66.98 -17.43 95.09 65.84 -19.45 95.73 66.18 -20.01 97.13 3 0 15.10-999 ?-999 ?-999 ? O3 PO4 C 507 mLEU~C 22 68.11 -19.35 94.84 68.02 -20.34 94.96 68.98 -17.84 93.10 69.50 -16.74 92.95 69.30 -18.67 94.33 70.42 -19.69 94.01 3 0 12.45-999 ?-999 ?-999 ? O3 PO4 C 507 mALA~C 23 68.13 -18.36 92.23 67.77 -19.26 92.46 67.02 -16.35 91.39 67.15 -15.32 90.74 67.78 -17.61 91.02 66.94 -18.47 90.08 2 0 11.85-999 ?-999 ?-999 ? O3 PO4 C 507 mGLU~C 24 66.22 -16.45 92.44 66.22 -17.35 92.87 66.39 -14.18 93.31 66.18 -13.03 92.94 65.44 -15.32 92.91 64.59 -15.78 94.09 2 0 11.69-999 ?-999 ?-999 ? O3 PO4 C 507 mPHE~C 25 67.44 -14.51 94.05 67.50 -15.47 94.30 69.05 -12.85 93.22 69.12 -11.62 93.09 68.42 -13.49 94.45 69.52 -14.10 95.32 3 0 8.74-999 ?-999 ?-999 ? O3 PO4 C 507 mVAL~C 26 69.50 -13.69 92.30 69.37 -14.66 92.51 69.25 -12.17 90.39 69.71 -11.06 90.11 70.12 -13.21 91.09 70.39 -14.36 90.13 3 0 6.88-999 ?-999 ?-999 ? O3 PO4 C 507 mGLU~C 27 68.01 -12.54 90.12 67.78 -13.47 90.41 66.85 -10.42 90.30 66.86 -9.30 89.79 67.08 -11.65 89.45 65.77 -12.40 89.17 2 0 8.29-999 ?-999 ?-999 ? O3 PO4 C 507 mGLY~C 28 66.67 -10.63 91.60 66.70 -11.59 91.89 67.63 -8.55 92.50 67.43 -7.34 92.37 66.47 -9.53 92.52-999.99-999.99-999.99 1 0 7.91-999 ?-999 ?-999 ? O3 PO4 C 507 mPHE~C 29 68.86 -9.06 92.61 68.90 -10.05 92.71 70.10 -7.43 91.25 70.44 -6.24 91.21 70.02 -8.18 92.59 71.31 -8.98 92.82 3 0 -4.24-999 ?-999 ?-999 ? O3 PO4 C 507s mGLU~C 30 69.76 -8.11 90.16 69.49 -9.06 90.33 68.78 -6.34 88.74 69.12 -5.22 88.38 69.80 -7.47 88.85 69.50 -8.47 87.73 2 0 4.92-999 ?-999 ?-999 ? O3 PO4 C 507 mTHR~C 31 67.53 -6.65 89.04 67.37 -7.60 89.33 66.80 -4.39 89.72 66.77 -3.29 89.16 66.48 -5.66 88.93 65.13 -6.22 89.41 2 0 8.15-999 ?-999 ?-999 ? O3 PO4 C 507 mLEU~C 32 67.11 -4.55 91.00 67.14 -5.50 91.30 68.67 -2.64 91.62 68.68 -1.41 91.64 67.38 -3.41 91.88 67.34 -3.88 93.33 3 0 7.51-999 ?-999 ?-999 ? O4 PO4 C 507 mSER~C 33 69.77 -3.36 91.38 69.62 -4.35 91.37 71.12 -1.86 89.88 71.91 -0.92 89.80 71.06 -2.72 91.15 72.17 -3.77 91.09 2 0 -4.67-999 ?-999 ?-999 ? O1 PO4 C 507s mGLU~C 34 70.30 -2.16 88.88 69.66 -2.93 89.02 69.65 -0.02 87.82 69.85 0.88 86.99 70.39 -1.36 87.68 69.93 -2.14 86.45 2 0 6.52-999 ?-999 ?-999 ? O1 PO4 C 507 mLEU.C 35 68.83 0.11 88.86 68.75 -0.70 89.44 69.15 2.41 89.51 70.10 2.11 90.23 68.12 1.37 89.10 67.09 1.22 90.22 3 0 9.59-999 ?-999 ?-999 ? O1 PO4 C 507 mGLN.C 36 68.97 3.65 89.07 68.16 3.77 88.51 69.46 5.59 90.55 70.29 6.23 91.20 69.91 4.70 89.40 70.19 5.53 88.15 2 0 11.30-999 ?-999 ?-999 ? O1 PO4 C 507 mVAL.C 37 68.16 5.64 90.80 67.59 5.08 90.20 67.98 5.87 93.29 68.05 4.65 93.47 67.65 6.46 91.90 66.12 6.64 91.79 3 0 13.89-999 ?-999 ?-999 ? O4 PO4 C 507 mPRO.C 38 68.23 6.74 94.29 68.19 7.70 94.01 67.28 5.61 96.17 66.19 6.19 96.09 68.54 6.31 95.66 68.78 7.63 96.39 3 0 13.64-999 ?-999 ?-999 ? O4 PO4 C 507 mLEU^C 39 67.42 4.40 96.71 68.35 4.06 96.76 66.03 3.64 98.67 66.87 3.15 99.43 66.24 3.67 97.16 66.26 2.23 96.63 3 0 13.21-999 ?-999 ?-999 ? O4 PO4 C 507 mVAL^C 40 64.88 4.16 99.08 64.31 4.51 98.34 63.43 3.13 100.71 62.35 3.16 100.09 64.49 4.21 100.47 63.89 5.59 100.79 3 0 16.03-999 ?-999 ?-999 ? O4 PO4 C 507 mSER^C 41 63.74 2.17 101.59 64.65 2.25 102.00 61.83 1.68 102.93 62.23 2.44 103.80 62.80 1.11 101.91 63.52 -0.09 102.52 2 0 13.68-999 ?-999 ?-999 ? O1 PO4 C 505 mVAL^C 42 60.57 1.31 102.82 60.38 0.66 102.09 58.66 0.71 104.17 58.31 -0.17 103.38 59.56 1.83 103.73 58.71 2.93 103.04 3 0 11.15-999 ?-999 ?-999 ? O1 PO4 C 505 mPHE^C 43 58.29 0.71 105.45 58.65 1.47 105.99 56.39 0.27 106.89 56.64 1.29 107.53 57.44 -0.33 105.96 58.26 -1.37 106.71 3 0 7.54-999 ?-999 ?-999 ? O1 PO4 C 505 mGLY.C 44 55.22 -0.36 106.92 55.18 -1.17 106.34 53.02 -0.95 107.73 53.15 -1.97 107.04 54.12 0.11 107.74-999.99-999.99-999.99 1 0 5.61-999 ?-999 ?-999 ? O2 PO4 C 505 mSER.C 45 51.95 -0.71 108.48 51.99 0.15 108.99 50.20 -1.99 107.21 50.07 -1.14 106.31 50.83 -1.64 108.55 49.73 -1.07 109.45 2 0 -3.47-999 ?-999 ?-999 ? O4 PO4 C 505s mALA.C 46 49.81 -3.25 107.07 50.00 -3.83 107.87 47.65 -3.68 106.05 46.89 -4.05 105.15 49.16 -3.74 105.86 49.57 -5.16 105.58 2 0 -3.86-999 ?-999 ?-999 ? O4 PO4 C 505s mARG.C 47 47.21 -3.20 107.21 47.94 -2.90 107.84 45.16 -1.74 107.45 43.98 -1.61 107.12 45.79 -3.13 107.53 45.53 -3.71 108.92 2 0 5.55-999 ?-999 ?-999 ? O4 PO4 C 505 mPHE.C 48 45.93 -0.71 107.76 46.87 -0.95 108.00 45.25 1.19 106.34 46.24 1.50 105.67 45.41 0.65 107.76 46.33 1.57 108.57 3 0 7.94-999 ?-999 ?-999 ? O4 PO4 C 505 mGLY.C 49 44.00 1.28 105.89 43.30 0.99 106.54 43.39 3.26 104.52 43.65 3.99 105.48 43.71 1.78 104.56-999.99-999.99-999.99 1 0 10.82-999 ?-999 ?-999 ? O4 PO4 C 505 mGLU.C 50 42.81 3.70 103.40 42.67 2.97 102.73 41.59 5.71 104.28 40.53 5.18 104.61 42.44 5.10 103.17 41.65 5.22 101.86 2 0 14.41-999 ?-999 ?-999 ? O4 PO4 C 505 mGLY.C 51 42.04 6.83 104.83 42.91 7.17 104.46 41.96 7.31 107.23 41.83 8.15 108.12 41.28 7.48 105.89-999.99-999.99-999.99 1 0 16.04-999 ?-999 ?-999 ? O4 PO4 C 505 mHIS~C 52 42.67 6.20 107.37 42.67 5.59 106.57 44.61 6.86 108.58 45.28 7.01 107.56 43.40 5.92 108.59 43.85 4.45 108.62 3 0 13.23-999 ?-999 ?-999 ? O4 PO4 C 505 mPRO~C 53 44.89 7.52 109.71 44.27 7.33 110.47 47.31 7.84 109.22 48.08 8.51 108.53 46.03 8.44 109.79 46.15 8.72 111.29 3 0 14.32-999 ?-999 ?-999 ? O4 PO4 C 505 mALA~C 54 47.53 6.56 109.51 46.82 6.14 110.08 48.77 5.90 107.51 49.81 6.24 106.94 48.71 5.85 109.03 48.67 4.40 109.52 2 0 11.10-999 ?-999 ?-999 ? O4 PO4 C 505 mTYR~C 55 47.66 5.58 106.86 46.89 5.34 107.45 47.85 6.97 104.81 48.56 7.11 103.82 47.59 5.59 105.40 46.22 5.10 104.94 3 0 11.71-999 ?-999 ?-999 ? O4 PO4 C 505 mGLU~C 56 47.25 7.98 105.42 46.69 7.73 106.21 48.84 9.79 105.13 49.37 10.55 104.32 47.41 9.34 104.93 46.45 10.29 105.65 2 0 15.37-999 ?-999 ?-999 ? O4 PO4 C 505 mALA~C 57 49.46 9.34 106.21 48.90 8.74 106.79 51.73 8.98 105.49 52.75 9.51 105.04 50.84 9.70 106.49 51.22 9.32 107.93 2 0 15.00-999 ?-999 ?-999 ? O4 PO4 C 505 mGLY~C 58 51.33 7.76 105.14 50.49 7.44 105.57 52.13 7.69 102.83 53.18 7.87 102.24 52.10 6.99 104.18-999.99-999.99-999.99 1 0 13.10-999 ?-999 ?-999 ? O4 PO4 C 505 mTYR~C 59 50.96 8.09 102.35 50.17 7.88 102.94 51.72 10.02 101.02 52.44 10.26 100.04 50.85 8.77 101.06 49.38 9.14 100.79 3 0 16.01-999 ?-999 ?-999 ? O4 PO4 C 505 mARG~C 60 51.69 10.81 102.09 51.08 10.51 102.83 53.99 11.72 102.17 54.79 12.45 101.60 52.49 12.02 102.13 52.10 12.90 103.33 2 0 18.55-999 ?-999 ?-999 ? O4 PO4 C 505 mLEU~C 61 54.37 10.63 102.83 53.63 10.11 103.26 56.27 9.89 101.50 57.33 10.34 101.07 55.78 10.25 102.90 55.98 9.04 103.83 3 0 16.96-999 ?-999 ?-999 ? O2 PO4 C 505 mGLY~C 62 55.48 9.07 100.81 54.66 8.76 101.30 55.97 9.88 98.56 56.96 10.01 97.84 55.83 8.67 99.46-999.99-999.99-999.99 1 0 17.19-999 ?-999 ?-999 ? O1 PO4 C 505 mARG~C 63 54.97 10.76 98.58 54.23 10.53 99.21 56.28 12.72 98.09 57.07 13.05 97.21 55.00 11.97 97.77 53.79 12.85 98.09 2 0 20.74-999 ?-999 ?-999 ? O1 PO4 C 505 mALA~C 64 56.51 12.97 99.38 55.80 12.63 100.00 59.02 13.08 99.31 59.91 13.82 98.89 57.70 13.69 99.81 57.72 13.79 101.35 2 0 21.73-999 ?-999 ?-999 ? O2 PO4 C 505 mLEU~C 65 59.15 11.76 99.36 58.36 11.27 99.72 60.58 11.16 97.40 61.69 11.39 96.93 60.39 11.10 98.91 60.44 9.63 99.37 3 0 20.75-999 ?-999 ?-999 ? O1 PO4 C 505 mALA~C 66 59.51 10.95 96.63 58.67 10.76 97.14 59.97 12.41 94.71 60.78 12.59 93.80 59.60 11.00 95.17 58.26 10.59 94.55 2 0 22.32-999 ?-999 ?-999 ? O1 PO4 C 505 mGLU~C 67 59.37 13.41 95.35 58.73 13.14 96.07 61.09 15.15 95.32 61.68 16.02 94.68 59.66 14.78 94.99 58.67 15.72 95.69 2 0 25.32-999 ?-999 ?-999 ? O4 PO4 C 507 mALA~C 68 61.67 14.48 96.32 61.10 13.79 96.76 64.04 13.96 95.85 65.25 14.05 96.06 63.05 14.76 96.70 63.25 14.47 98.17 2 0 23.70-999 ?-999 ?-999 ? O4 PO4 C 507 mGLY.C 69 63.53 13.18 94.90 62.53 13.18 94.84 64.65 10.95 94.41 65.29 10.23 93.65 64.41 12.41 94.04-999.99-999.99-999.99 1 0 20.69-999 ?-999 ?-999 ? O4 PO4 C 507 mPHE.C 70 64.17 10.52 95.57 63.67 11.21 96.10 63.33 8.18 95.41 62.20 8.57 95.07 64.36 9.14 96.00 64.28 9.03 97.53 3 0 18.20-999 ?-999 ?-999 ? O4 PO4 C 507 mGLY^C 71 63.72 6.91 95.30 64.67 6.75 95.57 62.43 5.17 96.10 63.25 5.08 97.03 62.83 5.88 94.82-999.99-999.99-999.99 1 0 16.51-999 ?-999 ?-999 ? O4 PO4 C 507 mVAL^C 72 61.19 4.70 96.18 60.61 4.85 95.38 60.62 2.54 97.10 60.40 2.13 95.96 60.74 4.01 97.39 59.38 4.57 97.89 3 0 16.61-999 ?-999 ?-999 ? O1 PO4 C 505 mVAL^C 73 60.77 1.74 98.14 60.94 2.22 99.00 59.83 -0.20 99.17 60.10 0.08 100.34 60.70 0.29 98.02 62.12 -0.33 98.13 3 0 14.22-999 ?-999 ?-999 ? O1 PO4 C 505 mTHR^C 74 58.76 -0.91 98.86 58.61 -1.06 97.88 57.64 -2.88 99.64 58.11 -3.41 98.64 57.88 -1.41 99.91 56.52 -0.69 99.88 2 0 10.63-999 ?-999 ?-999 ? O1 PO4 C 505 mGLY.C 75 56.87 -3.52 100.53 56.56 -2.97 101.30 55.54 -5.11 99.23 55.24 -6.23 98.83 56.55 -4.93 100.35-999.99-999.99-999.99 1 0 8.67-999 ?-999 ?-999 ? O1 PO4 C 505 mGLY.C 76 54.99 -3.99 98.74 55.30 -3.15 99.18 52.60 -4.44 97.96 51.77 -4.56 97.06 54.03 -4.04 97.65-999.99-999.99-999.99 1 0 10.68-999 ?-999 ?-999 ? O1 PO4 C 505 mGLY.C 77 52.28 -4.62 99.24 53.01 -4.46 99.90 49.95 -3.87 99.77 50.10 -2.81 99.17 50.93 -5.02 99.58-999.99-999.99-999.99 1 0 8.76-999 ?-999 ?-999 ? O1 PO4 C 505 mPRO.C 78 48.91 -4.07 100.60 48.90 -4.98 101.02 48.25 -2.20 102.07 49.39 -2.20 102.54 47.89 -3.05 100.86 46.65 -3.88 101.11 3 0 8.96-999 ?-999 ?-999 ? O4 PO4 C 505 mGLY~C 79 47.27 -1.46 102.58 46.39 -1.53 102.10 48.50 0.50 103.55 48.54 1.13 102.50 47.49 -0.62 103.74-999.99-999.99-999.99 1 0 7.70-999 ?-999 ?-999 ? O4 PO4 C 505 mVAL~C 80 49.31 0.74 104.57 49.18 0.15 105.36 51.32 1.58 103.36 51.93 2.52 102.85 50.30 1.81 104.49 51.04 1.97 105.84 3 0 8.30-999 ?-999 ?-999 ? O4 PO4 C 505 mMETC 81 51.49 0.33 102.97 50.93 -0.35 103.46 51.92 0.62 100.61 52.65 1.37 99.94 52.42 0.00 101.91 52.51 -1.51 101.77 2 0 8.54-999 ?-999 ?-999 ? O1 PO4 C 505 mGLU~C 82 50.69 0.31 100.27 50.23 -0.32 100.90 50.08 2.35 99.17 50.39 3.05 98.20 50.06 0.83 99.07 48.61 0.35 99.01 2 0 11.57-999 ?-999 ?-999 ? O1 PO4 C 505 mALA~C 83 49.75 2.86 100.34 49.53 2.19 101.06 51.08 4.90 100.13 51.13 5.90 99.40 49.73 4.29 100.53 49.42 4.63 101.98 2 0 12.74-999 ?-999 ?-999 ? O4 PO4 C 505 mVAL~C 84 52.17 4.29 100.58 52.00 3.48 101.14 53.78 4.73 98.76 54.22 5.71 98.16 53.49 4.81 100.26 54.58 4.07 101.07 3 0 13.27-999 ?-999 ?-999 ? O1 PO4 C 505 mASN~C 85 53.53 3.58 98.15 53.18 2.86 98.74 52.93 4.40 95.92 53.41 5.00 94.96 53.77 3.41 96.71 53.39 2.01 96.24 2 0 14.73-999 ?-999 ?-999 ? O1 PO4 C 505 mARG~C 86 51.68 4.55 96.33 51.44 3.99 97.13 51.23 6.90 95.71 51.16 7.60 94.71 50.75 5.45 95.68 49.38 5.35 96.33 2 0 16.93-999 ?-999 ?-999 ? O1 PO4 C 505 mGLY~C 87 51.72 7.34 96.86 51.72 6.68 97.62 53.38 8.98 96.06 53.47 10.04 95.45 52.19 8.70 96.96-999.99-999.99-999.99 1 0 18.36-999 ?-999 ?-999 ? O1 PO4 C 505 mALA~C 88 54.31 8.03 95.96 54.14 7.20 96.49 55.13 8.08 93.64 55.57 8.87 92.79 55.49 8.23 95.12 56.59 7.25 95.51 2 0 19.36-999 ?-999 ?-999 ? O1 PO4 C 505 mTYR~C 89 54.34 7.06 93.33 54.06 6.52 94.13 53.19 7.99 91.39 53.59 8.52 90.35 53.90 6.78 91.97 52.94 5.58 91.98 3 0 20.53-999 ?-999 ?-999 ? O1 PO4 C 505 mGLU~C 90 52.13 8.42 92.07 51.94 7.88 92.89 52.11 10.88 91.62 51.65 11.86 91.04 51.34 9.56 91.64 50.07 9.70 92.50 2 0 22.62-999 ?-999 ?-999 ? O1 PO4 C 505 mALA.C 91 53.29 10.92 92.26 53.56 10.07 92.72 55.12 12.02 91.13 55.99 12.87 90.96 54.09 12.15 92.24 54.77 12.35 93.57 2 0 24.04-999 ?-999 ?-999 ? O1 PO4 C 505 mGLY.C 92 55.01 10.94 90.35 54.26 10.32 90.58 57.26 10.15 89.71 58.27 10.32 89.03 55.93 10.72 89.25-999.99-999.99-999.99 1 0 24.83-999 ?-999 ?-999 ? O1 PO4 C 507 mGLY.C 93 57.28 9.47 90.85 56.41 9.39 91.33 58.63 7.44 90.97 57.63 6.84 90.56 58.54 8.91 91.32-999.99-999.99-999.99 1 0 21.62-999 ?-999 ?-999 ? O4 PO4 C 507 mVAL.C 94 59.81 6.86 91.11 60.56 7.45 91.41 59.47 4.66 92.05 60.01 4.78 93.15 59.97 5.43 90.83 61.44 5.07 90.57 3 0 18.35-999 ?-999 ?-999 ? O4 PO4 C 507 mSER^C 95 58.40 3.89 91.85 58.06 3.91 90.91 58.15 1.63 92.78 57.90 1.02 91.75 57.81 3.11 92.92 56.29 3.28 92.92 2 0 18.34-999 ?-999 ?-999 ? O1 PO4 C 505 mVAL^C 96 58.71 1.04 93.84 58.83 1.63 94.63 58.40 -1.20 94.86 58.26 -0.78 96.01 59.09 -0.37 93.79 60.60 -0.54 93.99 3 0 16.33-999 ?-999 ?-999 ? O4 PO4 C 507 mGLY^C 97 58.00 -2.40 94.47 58.17 -2.62 93.51 58.00 -4.66 95.32 58.12 -5.22 94.23 57.36 -3.29 95.41-999.99-999.99-999.99 1 0 13.74-999 ?-999 ?-999 ? O1 PO4 C 505 mLEU^C 98 58.44 -5.17 96.46 58.33 -4.58 97.26 57.87 -7.39 96.96 57.71 -7.72 98.14 59.04 -6.50 96.54 60.16 -6.51 97.57 3 0 13.16-999 ?-999 ?-999 ? O1 PO4 C 505 mASN^C 99 57.05 -7.78 95.98 57.33 -7.48 95.08 56.04 -10.09 96.41 56.73 -10.75 95.62 55.85 -8.59 96.23 54.82 -8.42 95.09 2 0 12.55-999 ?-999 ?-999 ? O1 PO4 C 505 mILE^C 100 55.39 -10.63 97.43 54.88 -9.97 98.00 54.17 -12.56 96.97 53.05 -12.29 97.39 55.42 -12.05 97.68 55.37 -12.34 99.20 3 0 12.39-999 ?-999 ?-999 ? O1 PO4 C 505 mGLU.C 101 54.38 -13.27 95.87 55.34 -13.42 95.64 53.13 -15.28 95.01 53.97 -15.97 94.43 53.27 -13.76 95.07 53.38 -13.17 93.67 2 0 15.24-999 ?-999 ?-999 ? O1 PO4 C 505 mLEU.C 102 52.07 -15.79 95.62 51.48 -15.11 96.05 50.30 -17.48 95.45 49.53 -17.52 96.42 51.79 -17.23 95.65 52.24 -17.84 96.98 3 0 16.88-999 ?-999 ?-999 ? O1 PO4 C 505 mPRO.C 108 49.09 -7.52 94.71 48.43 -8.27 94.78 49.33 -5.12 94.29 48.50 -5.09 93.38 50.06 -6.42 94.60 50.96 -6.86 93.43 3 0 13.78-999 ?-999 ?-999 ? O1 PO4 C 505 mASN.C 109 49.62 -4.05 95.03 50.31 -4.18 95.74 49.26 -2.28 93.33 50.29 -2.64 92.76 48.94 -2.79 94.75 49.28 -1.73 95.82 2 0 14.23-999 ?-999 ?-999 ? O1 PO4 C 505 mPRO.C 110 48.37 -1.46 92.75 47.59 -1.26 93.33 49.37 0.36 91.22 49.26 1.05 90.20 48.51 -0.89 91.39 47.06 -0.60 90.99 3 0 17.95-999 ?-999 ?-999 ? O1 PO4 C 505 mTYR.C 111 50.22 0.68 92.19 50.25 0.04 92.96 52.51 1.58 92.12 53.26 2.19 92.89 51.03 1.88 92.07 50.67 2.86 93.20 3 0 17.89-999 ?-999 ?-999 ? O1 PO4 C 505 mGLN.C 112 52.93 0.63 91.30 52.22 0.23 90.72 54.92 0.37 89.89 54.38 -0.12 88.90 54.32 0.21 91.27 54.44 -1.25 91.71 2 0 17.96-999 ?-999 ?-999 ? O1 PO4 C 505 mTHR.C 113 56.03 1.08 89.83 56.32 1.45 90.72 57.41 -0.02 88.26 57.38 -0.48 87.12 56.77 1.31 88.60 57.88 2.33 88.82 2 0 19.26-999 ?-999 ?-999 ? O1 PO4 C 507 mHIS^C 114 58.00 -0.63 89.28 57.95 -0.11 90.14 58.04 -2.84 90.19 58.07 -2.57 91.39 58.65 -1.92 89.16 60.15 -1.79 89.42 3 0 16.49-999 ?-999 ?-999 ? O1 PO4 C 507 mALA^C 115 57.47 -3.93 89.70 57.50 -4.02 88.71 57.58 -6.20 90.50 57.43 -6.92 89.52 56.83 -4.89 90.59 55.36 -5.08 90.20 2 0 17.42-999 ?-999 ?-999 ? O3 PO4 C 507 mLEU^C 116 58.38 -6.53 91.51 58.44 -5.85 92.25 58.19 -8.90 92.05 57.42 -8.66 92.99 59.09 -7.80 91.49 60.37 -7.73 92.33 3 0 14.94-999 ?-999 ?-999 ? O3 PO4 C 507 mSER^C 117 58.26 -10.09 91.46 58.91 -10.13 90.70 58.37 -12.20 92.65 59.17 -12.90 92.04 57.46 -11.23 91.91 56.83 -11.96 90.71 2 0 16.99-999 ?-999 ?-999 ? O3 PO4 C 507 mLEU^C 118 58.23 -12.23 93.98 57.52 -11.63 94.33 58.25 -14.23 95.42 57.10 -14.03 95.83 59.06 -13.09 94.82 59.69 -12.27 95.94 3 0 16.33-999 ?-999 ?-999 ? O3 PO4 C 507 mARG.C 119 58.86 -15.40 95.50 59.80 -15.41 95.15 58.74 -16.86 97.47 58.08 -17.50 98.27 58.21 -16.57 96.07 58.46 -17.78 95.17 2 0 16.98-999 ?-999 ?-999 ? O1 PO4 C 505 mTYR~C 120 59.95 -16.38 97.75 60.39 -15.87 97.01 60.72 -15.31 99.82 61.47 -14.42 99.42 60.55 -16.60 99.04 61.92 -17.28 98.88 3 0 16.04-999 ?-999 ?-999 ? O1 PO4 C 505 mPHE~C 121 60.02 -15.21 100.94 59.46 -16.01 101.16 61.52 -13.73 102.29 61.86 -12.56 102.49 60.10 -14.02 101.76 59.11 -14.11 102.93 3 0 12.65-999 ?-999 ?-999 ? O1 PO4 C 505 mPHE~C 122 62.35 -14.75 102.52 62.00 -15.67 102.34 64.54 -13.72 101.97 65.38 -12.91 102.32 63.68 -14.43 103.01 64.41 -15.64 103.63 3 0 14.75-999 ?-999 ?-999 ? O1 PO4 C 505 mVAL~C 123 64.30 -14.00 100.69 63.60 -14.68 100.53 64.70 -11.82 99.73 65.57 -10.94 99.68 65.05 -13.31 99.65 64.68 -13.83 98.24 3 0 13.51-999 ?-999 ?-999 ? O3 PO4 C 507 mARG~C 124 63.41 -11.55 99.86 62.82 -12.35 99.88 63.60 -9.39 101.10 63.88 -8.20 100.95 62.92 -10.19 99.97 61.41 -10.25 100.21 2 0 13.68-999 ?-999 ?-999 ? O1 PO4 C 505 mLYS~C 125 63.86 -10.05 102.24 63.57 -11.01 102.24 65.91 -8.89 102.99 66.37 -7.86 103.48 64.51 -9.39 103.37 64.60 -10.35 104.56 2 0 13.11-999 ?-999 ?-999 ? O1 PO4 C 505 mVAL~C 126 66.60 -9.64 102.14 66.15 -10.49 101.84 67.71 -8.03 100.75 68.40 -7.03 100.82 67.91 -9.20 101.72 68.69 -10.35 101.06 3 0 11.76-999 ?-999 ?-999 ? O4 PO4 C 507 mLEU~C 127 66.71 -8.14 99.88 66.19 -8.99 99.95 66.04 -5.74 99.55 66.24 -4.69 98.95 66.45 -7.08 98.92 65.40 -7.55 97.91 3 0 10.30-999 ?-999 ?-999 ? O4 PO4 C 507 mPHE~C 128 65.48 -5.78 100.76 65.38 -6.71 101.14 66.23 -3.71 101.94 66.10 -2.48 102.07 65.05 -4.56 101.45 64.16 -4.91 102.67 3 0 12.95-999 ?-999 ?-999 ? O4 PO4 C 507 mVAL~C 129 67.37 -4.34 102.19 67.36 -5.33 102.01 69.76 -3.52 101.80 70.57 -2.61 101.95 68.54 -3.62 102.70 68.99 -4.20 104.05 3 0 11.83-999 ?-999 ?-999 ? O4 PO4 C 507 mARG~C 130 69.90 -4.44 100.86 69.15 -5.10 100.83 71.39 -3.19 99.24 72.55 -2.90 99.00 71.05 -4.49 99.96 70.84 -5.60 98.92 2 0 -8.13-999 ?-999 ?-999 ? O4 PO4 C 507s mTYR.C 131 70.37 -2.40 98.90 69.47 -2.76 99.16 69.94 0.04 98.94 69.82 1.14 98.40 70.58 -1.13 98.20 70.03 -1.22 96.78 3 0 -8.11-999 ?-999 ?-999 ? O4 PO4 C 507s mALA^C 132 69.56 -0.18 100.19 69.75 -1.10 100.54 69.85 2.04 101.28 70.99 1.89 101.72 68.93 0.86 100.97 68.36 0.29 102.28 2 0 11.90-999 ?-999 ?-999 ? O4 PO4 C 507 mVAL^C 133 69.31 3.22 101.05 68.38 3.18 100.67 69.39 4.97 102.64 69.96 5.84 103.32 69.99 4.47 101.31 69.74 5.41 100.11 3 0 14.00-999 ?-999 ?-999 ? O4 PO4 C 507 mGLY^C 134 68.26 4.37 103.01 67.93 3.68 102.37 66.33 3.83 104.47 65.83 3.22 103.52 67.58 4.69 104.26-999.99-999.99-999.99 1 0 16.96-999 ?-999 ?-999 ? O4 PO4 C 507 mPHE^C 135 65.83 3.76 105.69 66.33 4.29 106.38 63.64 3.73 106.86 64.03 4.35 107.85 64.64 2.96 105.98 65.04 1.65 106.67 3 0 14.70-999 ?-999 ?-999 ? O2 PO4 C 505 mVAL^C 136 62.36 3.69 106.49 62.19 3.14 105.67 60.23 3.38 107.68 59.74 2.59 106.87 61.31 4.38 107.24 60.62 5.48 106.39 3 0 12.79-999 ?-999 ?-999 ? O2 PO4 C 505 mPHE^C 137 59.87 3.42 108.96 60.34 4.10 109.51 57.69 3.31 110.03 57.86 4.16 110.89 58.85 2.52 109.47 59.42 1.61 110.56 3 0 9.45-999 ?-999 ?-999 ? O2 PO4 C 505 mLEU.C 138 56.50 3.01 109.52 56.54 2.29 108.82 54.46 2.74 110.86 54.77 1.56 111.00 55.26 3.65 109.92 54.44 3.98 108.67 3 0 8.76-999 ?-999 ?-999 ? O2 PO4 C 505 mPRO.C 139 53.42 3.28 111.52 53.24 4.25 111.34 52.22 1.12 111.77 51.68 1.10 110.67 52.63 2.44 112.43 51.42 3.32 112.76 3 0 7.53-999 ?-999 ?-999 ? O2 PO4 C 505 mGLY.C 140 52.49 0.02 112.45 52.94 0.15 113.33 52.11 -2.31 113.00 52.18 -1.96 114.18 52.13 -1.28 111.90-999.99-999.99-999.99 1 0 3.93-999 ?-999 ?-999 ? O2 PO4 C 505 mGLY~C 141 52.03 -3.58 112.61 52.01 -3.73 111.62 53.17 -5.59 113.59 54.32 -5.15 113.56 51.98 -4.65 113.59-999.99-999.99-999.99 1 0 -3.47-999 ?-999 ?-999 ? O2 PO4 C 505s mPHE~C 142 52.90 -6.89 113.61 51.93 -7.11 113.59 54.97 -7.74 112.49 56.18 -7.73 112.72 53.96 -7.88 113.64 53.33 -9.28 113.68 3 0 -4.23-999 ?-999 ?-999 ? O3 PO4 C 505s mGLY~C 143 54.47 -7.61 111.26 53.47 -7.62 111.21 56.32 -6.30 110.17 57.51 -6.45 109.85 55.35 -7.47 110.11-999.99-999.99-999.99 1 0 -3.48-999 ?-999 ?-999 ? O3 PO4 C 505s mTHR~C 144 55.83 -5.14 110.60 54.86 -5.16 110.84 57.74 -4.07 111.79 58.89 -3.71 111.57 56.66 -3.94 110.70 55.79 -2.68 110.97 2 0 -3.91-999 ?-999 ?-999 ? O2 PO4 C 505s mLEU~C 145 57.36 -4.60 112.95 56.40 -4.86 112.99 59.38 -5.75 113.63 60.58 -5.56 113.90 58.31 -4.76 114.05 57.59 -5.26 115.30 3 0 6.64-999 ?-999 ?-999 ? O2 PO4 C 505 mASP~C 146 58.94 -6.82 112.98 57.95 -6.83 112.87 60.87 -7.22 111.54 62.06 -7.49 111.67 59.83 -7.86 112.47 59.00 -8.91 111.73 2 0 7.93-999 ?-999 ?-999 ? O2 PO4 C 505 mGLU~C 147 60.42 -6.37 110.63 59.43 -6.22 110.63 62.24 -4.73 110.46 63.41 -4.61 110.15 61.34 -5.71 109.71 60.59 -4.94 108.62 2 0 8.54-999 ?-999 ?-999 ? O2 PO4 C 505 mLEU~C 148 61.68 -4.03 111.45 60.71 -4.20 111.61 63.60 -3.82 112.96 64.76 -3.44 112.91 62.49 -3.08 112.21 61.64 -2.32 113.22 3 0 9.96-999 ?-999 ?-999 ? O2 PO4 C 505 mSER~C 149 63.22 -4.89 113.65 62.25 -5.10 113.58 65.30 -6.19 113.59 66.47 -5.97 113.90 64.15 -5.69 114.44 63.44 -6.90 115.05 2 0 10.26-999 ?-999 ?-999 ? O1 PO4 D 506 mGLU~C 150 64.95 -6.88 112.52 63.97 -7.01 112.39 66.94 -6.29 111.23 68.16 -6.45 111.31 65.98 -7.40 111.63 65.33 -8.01 110.39 2 0 10.89-999 ?-999 ?-999 ? O1 PO4 D 506 mVAL~C 151 66.39 -5.16 110.79 65.39 -5.16 110.76 68.17 -3.61 111.53 69.40 -3.52 111.34 67.22 -4.03 110.39 66.35 -2.84 109.95 3 0 12.44-999 ?-999 ?-999 ? O1 PO4 D 506 mLEU~C 152 67.60 -3.38 112.71 66.61 -3.49 112.73 69.52 -3.99 114.14 70.65 -3.61 114.44 68.41 -2.98 113.86 67.54 -2.79 115.11 3 0 9.84-999 ?-999 ?-999 ? O1 PO4 D 506 mVAL~C 153 69.21 -5.28 114.04 68.26 -5.47 113.79 71.31 -6.30 113.19 72.49 -6.38 113.50 70.23 -6.31 114.28 69.61 -7.72 114.39 3 0 7.36-999 ?-999 ?-999 ? O1 PO4 D 506 mLEU~C 154 70.91 -6.20 111.93 69.92 -6.13 111.80 72.78 -4.94 110.90 73.94 -4.98 110.50 71.87 -6.18 110.83 71.15 -6.22 109.49 3 0 10.60-999 ?-999 ?-999 ? O1 PO4 D 506 mLEU~C 155 72.23 -3.83 111.39 71.27 -3.93 111.64 73.92 -2.71 112.73 75.12 -2.44 112.63 72.98 -2.59 111.52 72.02 -1.41 111.73 3 0 11.64-999 ?-999 ?-999 ? O1 PO4 D 506 mGLN~C 156 73.36 -3.11 113.86 72.38 -3.29 113.79 75.35 -4.16 114.91 76.44 -3.82 115.38 74.11 -3.28 115.10 73.20 -3.89 116.17 2 0 8.78-999 ?-999 ?-999 ? O1 PO4 D 506 mTHR~C 157 75.18 -5.28 114.21 74.25 -5.43 113.87 76.98 -5.98 112.65 77.75 -6.82 112.19 76.28 -6.21 113.98 75.81 -7.66 114.04 2 0 9.11-999 ?-999 ?-999 ? O1 PO4 D 506 mGLU.C 158 76.69 -4.83 112.05 76.02 -4.28 112.54 77.34 -5.48 109.70 78.39 -5.74 109.11 77.30 -4.42 110.79 78.71 -3.90 111.07 2 0 12.76-999 ?-999 ?-999 ? O1 PO4 D 506 mLYS.C 159 76.19 -6.08 109.44 75.43 -5.79 110.01 75.69 -6.40 107.08 75.61 -7.04 106.04 76.08 -7.09 108.39 75.03 -8.14 108.74 2 0 12.65-999 ?-999 ?-999 ? O1 PO4 D 512 mVAL.C 160 75.42 -5.10 107.14 75.51 -4.72 108.06 75.53 -2.90 106.14 75.68 -2.43 107.27 75.05 -4.33 105.96 73.51 -4.31 105.74 3 0 13.34-999 ?-999 ?-999 ? O4 PO4 C 507 mHIS.C 161 75.75 -2.20 105.03 75.58 -2.71 104.18 75.27 0.01 105.96 74.07 -0.28 106.02 76.21 -0.82 105.08 76.27 -0.22 103.67 3 0 13.38-999 ?-999 ?-999 ? O4 PO4 C 507 mARG.C 162 75.81 1.02 106.63 76.80 1.13 106.50 74.06 2.73 106.64 74.42 3.15 105.53 75.00 1.87 107.48 75.86 2.83 108.32 2 0 16.57-999 ?-999 ?-999 ? O4 PO4 C 507 mPHE.C 163 72.87 2.97 107.17 72.72 2.51 108.05 70.95 4.32 107.65 70.80 3.66 108.68 71.88 3.83 106.54 71.10 3.10 105.43 3 0 16.96-999 ?-999 ?-999 ? O4 PO4 C 507 mPRO.C 164 70.34 5.49 107.47 70.57 5.94 106.61 68.13 5.27 108.63 67.54 4.83 107.65 69.43 6.06 108.47 69.15 7.47 107.93 3 0 19.77-999 ?-999 ?-999 ? O1 PO4 D 506 mVAL^C 165 67.68 5.10 109.88 68.27 5.49 110.58 65.49 5.38 110.82 65.83 5.97 111.84 66.43 4.39 110.15 66.65 3.17 111.09 3 0 16.36-999 ?-999 ?-999 ? O2 PO4 C 505 mPHE^C 166 64.30 5.59 110.25 64.14 5.06 109.41 62.01 5.89 111.19 61.42 5.14 110.40 63.34 6.52 110.83 63.04 7.69 109.89 3 0 15.40-999 ?-999 ?-999 ? O2 PO4 C 505 mLEU^C 167 61.54 6.19 112.40 62.14 6.78 112.94 59.37 6.95 112.88 59.70 7.95 113.50 60.26 5.71 112.88 60.40 5.16 114.31 3 0 13.08-999 ?-999 ?-999 ? O2 PO4 C 505 mLEU^C 168 58.26 6.91 112.15 58.10 6.05 111.67 56.14 7.86 112.97 55.55 6.79 112.96 57.36 8.06 112.10 56.88 8.33 110.67 3 0 13.71-999 ?-999 ?-999 ? O2 PO4 C 505 mASP~C 169 55.78 8.92 113.70 56.39 9.70 113.55 55.06 8.61 116.04 54.79 7.52 116.55 54.64 8.96 114.62 53.52 8.02 114.15 2 0 14.51-999 ?-999 ?-999 ? O2 PO4 C 505 mARG~C 170 55.75 9.55 116.67 55.91 10.37 116.11 55.21 8.79 118.97 55.55 7.92 119.77 56.24 9.42 118.03 56.62 10.80 118.57 2 0 16.53-999 ?-999 ?-999 ? O2 PO4 C 505 mGLY~C 171 53.97 9.24 118.88 53.81 9.95 118.20 52.77 7.19 119.68 52.69 6.52 120.71 52.93 8.70 119.75-999.99-999.99-999.99 1 0 16.49-999 ?-999 ?-999 ? O2 PO4 C 505 mTYR~C 172 52.73 6.66 118.46 52.83 7.32 117.72 53.76 4.36 118.64 53.58 3.26 119.16 52.56 5.22 118.24 52.24 4.99 116.76 3 0 12.80-999 ?-999 ?-999 ? O2 PO4 C 505 mTRP~C 173 54.98 4.85 118.42 55.00 5.76 118.02 56.63 4.20 120.19 57.52 3.46 120.63 56.16 4.06 118.75 57.32 4.41 117.82 3 0 12.69-999 ?-999 ?-999 ? O2 PO4 C 505 mGLU~C 174 56.04 5.14 120.91 55.34 5.64 120.40 56.71 4.20 123.16 57.84 4.08 123.65 56.38 5.43 122.30 55.23 6.23 122.93 2 0 16.17-999 ?-999 ?-999 ? O2 PO4 C 505 mGLY~C 175 55.74 3.31 123.35 54.87 3.52 122.89 57.18 1.28 123.79 57.93 0.85 124.66 55.96 2.12 124.16-999.99-999.99-999.99 1 0 15.83-999 ?-999 ?-999 ? O2 PO4 C 505 mLEU~C 176 57.38 1.05 122.49 56.69 1.46 121.90 59.82 0.97 122.33 60.74 0.37 122.88 58.50 0.27 122.00 58.36 0.05 120.48 3 0 13.98-999 ?-999 ?-999 ? O2 PO4 C 505 mVAL~C 177 59.91 2.25 121.98 59.10 2.63 121.54 61.38 3.06 123.74 62.51 2.94 124.19 61.13 3.00 122.24 61.03 4.43 121.63 3 0 15.86-999 ?-999 ?-999 ? O1 PO4 D 506 mARG~C 178 60.32 3.22 124.53 59.44 3.31 124.07 61.11 1.92 126.41 62.12 1.88 127.12 60.51 3.26 125.98 59.19 3.49 126.71 2 0 16.90-999 ?-999 ?-999 ? O4 PO4 D 506 mTRP~C 179 60.51 0.82 125.97 59.71 0.98 125.39 62.45 -0.74 125.88 63.23 -1.40 126.57 61.01 -0.51 126.33 60.13 -1.61 125.74 3 0 13.80-999 ?-999 ?-999 ? O4 PO4 D 506 mLEU~C 180 62.79 -0.21 124.71 62.07 0.29 124.24 65.14 0.35 125.07 66.27 -0.11 125.26 64.14 -0.38 124.18 64.21 0.15 122.74 3 0 11.65-999 ?-999 ?-999 ? O4 PO4 D 506 mALA~C 181 64.73 1.49 125.62 63.80 1.76 125.37 65.82 1.40 127.75 66.90 1.41 128.36 65.59 2.25 126.51 64.92 3.58 126.89 2 0 13.86-999 ?-999 ?-999 ? O1 PO4 D 506 mPHE~C 182 64.79 0.64 128.13 63.97 0.74 127.56 65.93 -1.33 128.99 66.66 -1.75 129.90 64.88 -0.25 129.27 63.53 -0.93 129.53 3 0 13.25-999 ?-999 ?-999 ? O4 PO4 D 506 mLEU~C 183 66.00 -1.79 127.75 65.34 -1.39 127.11 68.37 -2.23 127.56 69.31 -2.95 127.89 66.98 -2.81 127.39 66.81 -3.25 125.93 3 0 9.57-999 ?-999 ?-999 ? O4 PO4 D 506 mARG~C 184 68.50 -0.92 127.35 67.67 -0.43 127.10 70.15 -0.18 128.99 71.32 -0.33 129.36 69.81 -0.31 127.50 69.87 1.05 126.79 2 0 11.06-999 ?-999 ?-999 ? O1 PO4 D 506 mASP~C 185 69.15 0.07 129.83 68.25 0.18 129.40 69.85 -1.20 131.77 70.72 -1.30 132.64 69.40 0.17 131.27 68.14 0.59 132.05 2 0 13.67-999 ?-999 ?-999 ? O2 PO4 D 506 mGLN~C 186 69.23 -2.24 131.21 68.54 -1.99 130.53 70.88 -4.05 130.95 71.36 -5.14 131.22 69.55 -3.62 131.56 68.46 -4.56 131.06 2 0 11.21-999 ?-999 ?-999 ? O2 PO4 D 506 mLYS.C 187 71.45 -3.20 130.10 70.94 -2.36 129.94 72.64 -4.60 128.38 73.66 -5.13 127.95 72.72 -3.52 129.47 73.73 -3.97 130.53 2 0 9.46-999 ?-999 ?-999 ? O2 PO4 D 506 mALA.C 188 71.43 -4.93 127.95 70.68 -4.43 128.38 71.64 -5.40 125.55 71.89 -6.14 124.60 71.25 -5.96 126.92 69.80 -6.44 126.91 2 0 5.97-999 ?-999 ?-999 ? O2 PO4 D 506 mVAL.C 189 71.69 -4.08 125.48 71.48 -3.62 126.35 73.18 -2.39 124.58 73.36 -1.99 125.73 72.04 -3.36 124.27 70.78 -2.59 123.75 3 0 6.68-999 ?-999 ?-999 ? O1 PO4 D 506 mGLY.C 190 73.96 -2.04 123.56 73.71 -2.44 122.68 74.66 0.32 123.92 73.53 0.70 123.60 75.07 -1.13 123.74-999.99-999.99-999.99 1 0 9.28-999 ?-999 ?-999 ? O1 PO4 D 506 mPRO.C 191 75.56 1.18 124.44 76.43 0.73 124.64 74.78 3.38 123.49 73.73 4.01 123.57 75.34 2.61 124.68 76.73 3.11 125.06 3 0 12.97-999 ?-999 ?-999 ? O1 PO4 D 506 mGLU~C 192 75.51 3.31 122.38 76.32 2.73 122.48 74.13 3.27 120.27 73.60 3.84 119.32 75.17 3.99 121.13 76.44 4.19 120.29 2 0 13.69-999 ?-999 ?-999 ? O1 PO4 D 506 mASP~C 193 73.84 2.01 120.59 74.33 1.67 121.39 71.53 1.86 119.55 70.98 1.70 118.47 72.87 1.21 119.83 72.65 -0.14 120.52 2 0 10.53-999 ?-999 ?-999 ? O1 PO4 D 506 mLEU~C 194 70.98 2.59 120.51 71.51 2.64 121.36 69.75 4.41 119.29 68.72 4.87 118.81 69.69 3.25 120.29 69.13 3.76 121.62 3 0 12.50-999 ?-999 ?-999 ? O1 PO4 D 506 mGLN~C 195 70.96 4.87 118.96 71.72 4.41 119.42 70.92 5.47 116.58 70.86 6.27 115.65 71.11 5.96 118.01 72.48 6.59 118.11 2 0 15.38-999 ?-999 ?-999 ? O1 PO4 D 506 mLEU.C 196 70.85 4.16 116.42 70.95 3.62 117.25 69.34 4.05 114.45 69.20 3.97 113.24 70.65 3.58 115.09 70.67 2.05 115.16 3 0 14.03-999 ?-999 ?-999 ? O1 PO4 D 506 mPHE^C 197 68.40 4.55 115.25 68.64 4.56 116.22 66.71 6.41 115.27 67.27 6.86 116.27 67.12 5.05 114.72 66.00 4.05 115.00 3 0 16.05-999 ?-999 ?-999 ? O1 PO4 D 506 mARG^C 198 65.74 7.06 114.62 65.39 6.56 113.83 63.69 8.46 114.91 63.12 7.94 113.94 65.22 8.37 115.03 65.82 9.48 114.15 2 0 18.65-999 ?-999 ?-999 ? O2 PO4 C 505 mLEU^C 199 63.04 9.11 115.87 63.63 9.46 116.60 61.22 10.62 115.18 61.96 11.59 115.29 61.58 9.29 115.85 61.00 9.31 117.27 3 0 17.45-999 ?-999 ?-999 ? O2 PO4 C 505 mTHR^C 200 60.08 10.66 114.49 59.56 9.80 114.48 58.15 11.86 113.53 57.57 10.80 113.33 59.63 11.88 113.83 60.37 12.11 112.49 2 0 18.32-999 ?-999 ?-999 ? O2 PO4 C 505 mASP.C 201 57.54 13.04 113.49 58.13 13.82 113.67 55.89 13.71 111.81 54.77 14.06 111.45 56.12 13.16 113.20 55.43 14.07 114.21 2 0 18.45-999 ?-999 ?-999 ? O2 PO4 C 505 mGLU~C 202 56.94 13.78 111.00 57.81 13.46 111.38 57.76 13.90 108.60 58.97 13.90 108.81 56.76 14.32 109.67 56.72 15.83 109.74 2 0 19.48-999 ?-999 ?-999 ? O2 PO4 C 505 mPRO~C 203 57.24 13.54 107.42 56.24 13.59 107.39 59.18 14.05 105.96 60.28 13.62 105.61 58.03 13.11 106.27 57.01 13.08 105.14 3 0 19.02-999 ?-999 ?-999 ? O2 PO4 C 505 mGLU~C 204 58.93 15.35 106.11 58.01 15.57 106.44 61.26 16.19 106.54 62.32 16.43 105.96 59.95 16.33 105.79 59.40 17.74 105.96 2 0 22.69-999 ?-999 ?-999 ? O2 PO4 C 505 mGLU~C 205 61.22 15.82 107.82 60.30 15.66 108.19 63.23 14.50 107.96 64.46 14.55 107.82 62.47 15.67 108.57 62.20 15.36 110.05 2 0 22.63-999 ?-999 ?-999 ? O2 PO4 C 505 mVAL~C 206 62.50 13.45 107.60 61.52 13.55 107.80 63.81 12.71 105.69 64.95 12.33 105.45 63.09 12.28 106.96 62.01 11.23 106.58 3 0 20.14-999 ?-999 ?-999 ? O2 PO4 C 505 mVAL~C 207 63.13 13.50 104.86 62.21 13.74 105.17 64.94 14.86 103.82 65.96 14.70 103.14 63.72 13.97 103.61 62.68 14.72 102.75 3 0 22.64-999 ?-999 ?-999 ? O2 PO4 C 505 mGLN~C 208 64.85 15.81 104.75 63.98 15.85 105.24 67.15 15.86 105.48 68.31 16.14 105.18 65.97 16.70 104.99 65.61 17.76 106.02 2 0 25.69-999 ?-999 ?-999 ? O2 PO4 C 505 mALA~C 209 66.83 14.82 106.25 65.85 14.71 106.42 68.53 13.15 105.65 69.75 13.16 105.53 67.86 13.93 106.78 67.25 12.98 107.79 2 0 24.21-999 ?-999 ?-999 ? O2 PO4 C 505 mLEU~C 210 67.73 12.45 104.84 66.76 12.52 105.06 69.13 12.58 102.85 70.20 12.19 102.39 68.28 11.68 103.73 67.15 11.05 102.91 3 0 21.42-999 ?-999 ?-999 ? O4 PO4 C 507 mLYS~C 211 68.63 13.80 102.62 67.74 13.97 103.04 70.78 14.87 102.36 71.75 14.63 101.63 69.36 14.77 101.82 68.68 16.14 101.89 2 0 22.90-999 ?-999 ?-999 ? O4 PO4 C 507 mALA~C 212 70.92 15.22 103.63 70.07 15.39 104.12 72.90 13.95 104.14 72.16 12.94 104.16 72.25 15.32 104.23 72.14 15.76 105.68 2 0 23.98-999 ?-999 ?-999 ? O4 PO4 C 507 mLYS.D 3 87.01 -4.19 104.50 87.76 -4.63 104.02 84.61 -3.57 104.38 84.18 -2.55 103.82 85.89 -3.52 105.23 86.25 -2.06 105.53 2 0 11.67-999 ?-999 ?-999 ? O1 PO4 D 512 mLYS.D 4 84.02 -4.76 104.28 84.47 -5.48 104.81 81.77 -5.85 104.19 82.00 -7.04 104.41 82.81 -4.98 103.49 83.18 -5.64 102.16 2 0 9.40-999 ?-999 ?-999 ? O1 PO4 D 512 mPRO~D 5 80.61 -5.26 104.56 80.54 -4.29 104.33 79.05 -7.21 104.43 78.87 -7.12 103.21 79.56 -6.02 105.25 78.48 -4.97 105.48 3 0 9.91-999 ?-999 ?-999 ? O1 PO4 D 512 mLEU~D 6 78.82 -8.32 105.12 79.00 -8.23 106.10 77.39 -9.31 103.34 77.67 -9.67 102.20 78.36 -9.55 104.49 77.67 -10.42 105.54 3 0 7.68-999 ?-999 ?-999 ? O1 PO4 D 512 mILE~D 7 76.25 -8.69 103.66 76.18 -8.42 104.62 75.65 -7.64 101.46 75.20 -7.92 100.36 75.21 -8.42 102.68 74.02 -7.70 103.34 3 0 10.01-999 ?-999 ?-999 ? O1 PO4 D 512 mASP~D 8 76.53 -6.66 101.64 76.83 -6.53 102.58 77.95 -6.64 99.60 78.30 -6.17 98.51 76.99 -5.87 100.50 77.63 -4.58 100.99 2 0 8.20-999 ?-999 ?-999 ? O4 PO4 C 507 mGLN~D 9 78.37 -7.82 100.03 78.03 -8.11 100.93 78.51 -9.50 98.21 79.10 -10.14 97.36 79.27 -8.61 99.19 80.23 -9.44 100.04 2 0 -6.80-999 ?-999 ?-999 ? O1 PO4 D 512s mLEU~D 10 77.18 -9.52 98.33 76.82 -8.96 99.08 76.16 -9.53 96.13 75.84 -8.33 96.14 76.36 -10.31 97.43 75.01 -10.61 98.06 3 0 6.86-999 ?-999 ?-999 ? O2 PO4 C 507 mHIS.D 11 76.36 -10.23 95.01 76.62 -11.17 95.19 75.67 -10.83 92.81 75.99 -11.99 93.07 76.20 -9.67 93.66 77.56 -9.20 93.13 3 0 -3.59-999 ?-999 ?-999 ? O2 PO4 C 507s mHIS.D 12 74.88 -10.53 91.79 74.71 -9.56 91.64 75.35 -12.35 90.16 75.09 -13.47 89.71 74.31 -11.60 90.98 73.20 -11.06 90.07 3 0 -4.08-999 ?-999 ?-999 ? O3 PO4 C 507s mGLU.D 13 76.52 -11.75 90.00 76.60 -10.85 90.44 78.61 -13.12 90.11 79.41 -13.89 89.59 77.59 -12.38 89.24 78.30 -11.34 88.36 2 0 6.21-999 ?-999 ?-999 ? O2 PO4 C 507 mASP~D 14 78.59 -12.89 91.43 77.90 -12.24 91.72 78.95 -14.92 92.79 78.55 -15.10 93.94 79.52 -13.57 92.33 79.82 -12.69 93.55 2 0 7.56-999 ?-999 ?-999 ? O2 PO4 C 507 mSER~D 15 78.93 -15.87 91.86 79.32 -15.58 90.98 78.75 -17.92 93.40 77.88 -18.56 94.00 78.40 -17.20 92.10 78.77 -18.11 90.93 2 0 9.28-999 ?-999 ?-999 ? O4 PO4 D 512 mTRP~D 16 80.00 -17.82 93.84 80.60 -17.24 93.29 79.73 -18.15 96.32 79.38 -19.02 97.12 80.44 -18.53 95.04 81.96 -18.41 95.23 3 0 -6.09-999 ?-999 ?-999 ? O4 PO4 D 512s mARG~D 17 79.50 -16.85 96.51 79.83 -16.24 95.80 77.36 -16.92 97.72 76.78 -17.17 98.78 78.80 -16.41 97.71 78.88 -14.89 97.82 2 0 -5.05-999 ?-999 ?-999 ? O4 PO4 D 512s mLEU~D 18 76.79 -17.11 96.53 77.38 -16.87 95.76 75.48 -19.15 96.68 74.50 -19.74 97.13 75.43 -17.64 96.42 74.86 -17.37 95.02 3 0 8.77-999 ?-999 ?-999 ? O4 PO4 D 512 mPHE~D 19 76.62 -19.78 96.40 77.35 -19.21 96.02 76.94 -21.48 98.14 76.62 -22.56 98.63 76.73 -21.21 96.66 77.85 -21.83 95.83 3 0 8.90-999 ?-999 ?-999 ? O4 PO4 D 512 mARG~D 20 77.47 -20.49 98.86 77.72 -19.67 98.33 76.30 -20.57 100.96 76.06 -21.19 101.99 77.67 -20.61 100.31 78.51 -19.45 100.87 2 0 7.20-999 ?-999 ?-999 ? O4 PO4 D 512 mILE~D 21 75.40 -19.80 100.35 75.73 -19.30 99.55 73.42 -21.11 100.65 72.72 -21.61 101.52 74.03 -19.72 100.85 73.22 -18.66 100.08 3 0 10.01-999 ?-999 ?-999 ? O4 PO4 D 512 mLEU~D 22 73.71 -21.71 99.50 74.30 -21.17 98.91 73.74 -24.09 100.15 72.99 -24.93 100.65 73.21 -23.05 99.15 73.67 -23.40 97.72 3 0 12.25-999 ?-999 ?-999 ? O4 PO4 D 512 mALA~D 23 75.03 -24.00 100.44 75.51 -23.26 99.97 75.07 -24.87 102.77 74.90 -25.90 103.42 75.67 -24.92 101.37 77.17 -24.63 101.44 2 0 11.70-999 ?-999 ?-999 ? O4 PO4 D 512 mGLU~D 24 74.76 -23.66 103.25 74.94 -22.90 102.63 72.81 -24.17 104.64 72.44 -24.73 105.67 74.19 -23.51 104.58 74.13 -22.03 104.96 2 0 12.62-999 ?-999 ?-999 ? O4 PO4 D 512 mPHE~D 25 72.05 -24.13 103.56 72.43 -23.64 102.78 70.88 -26.30 103.53 70.19 -27.02 104.25 70.74 -24.78 103.57 69.89 -24.35 102.38 3 0 11.40-999 ?-999 ?-999 ? O2 PO4 C 511 mVAL~D 26 71.78 -26.78 102.68 72.28 -26.09 102.16 72.46 -28.80 103.89 71.85 -29.76 104.39 71.99 -28.21 102.56 73.03 -28.52 101.47 3 0 8.50-999 ?-999 ?-999 ? O1 PO4 D 508 mGLU~D 27 73.51 -28.23 104.46 73.89 -27.45 103.96 73.06 -28.50 106.88 72.92 -29.34 107.76 74.02 -28.74 105.72 75.38 -28.12 106.04 2 0 8.48-999 ?-999 ?-999 ? O1 PO4 D 508 mGLY~D 28 72.40 -27.35 106.88 72.61 -26.71 106.13 70.33 -28.10 107.94 70.05 -28.69 108.98 71.46 -27.08 107.93-999.99-999.99-999.99 1 0 10.19-999 ?-999 ?-999 ? O1 PO4 D 508 mPHE~D 29 69.67 -28.31 106.80 70.02 -27.78 106.03 68.92 -30.71 106.97 68.18 -31.45 107.63 68.54 -29.25 106.73 67.82 -29.17 105.36 3 0 6.56-999 ?-999 ?-999 ? O2 PO4 C 511 mGLU~D 30 70.05 -31.13 106.42 70.54 -30.43 105.89 70.80 -32.77 108.07 70.24 -33.69 108.66 70.50 -32.50 106.59 71.77 -32.76 105.75 2 0 -4.76-999 ?-999 ?-999 ? O1 PO4 D 508s mTHR~D 31 71.67 -31.94 108.64 72.03 -31.24 108.04 70.83 -32.13 110.98 70.69 -33.05 111.78 72.04 -32.07 110.04 72.95 -30.91 110.46 2 0 7.43-999 ?-999 ?-999 ? O4 PO4 D 508 mLEU~D 32 69.93 -31.15 110.88 70.13 -30.47 110.17 67.70 -32.14 111.49 67.08 -32.65 112.43 68.77 -31.10 111.76 68.11 -29.72 111.71 3 0 8.39-999 ?-999 ?-999 ? O2 PO4 C 511 mSER~D 33 67.47 -32.46 110.22 68.04 -31.99 109.55 66.73 -34.83 110.42 65.81 -35.58 110.71 66.43 -33.43 109.89 66.21 -33.49 108.37 2 0 5.13-999 ?-999 ?-999 ? O2 PO4 C 511 mGLU~D 34 68.01 -35.16 110.56 68.66 -34.45 110.30 68.24 -36.66 112.57 68.20 -37.80 113.06 68.41 -36.47 111.06 69.86 -36.76 110.68 2 0 -5.79-999 ?-999 ?-999 ? O4 PO4 D 508s mLEU.D 35 68.16 -35.56 113.33 68.19 -34.70 112.83 66.75 -36.45 115.12 65.68 -36.24 114.53 68.03 -35.67 114.78 68.03 -34.29 115.43 3 0 9.52-999 ?-999 ?-999 ? O4 PO4 D 508 mGLN.D 36 66.88 -37.37 116.07 67.79 -37.44 116.48 65.14 -37.83 117.78 64.59 -38.68 118.48 65.75 -38.21 116.44 66.20 -39.67 116.43 2 0 11.01-999 ?-999 ?-999 ? O4 PO4 C 511 mVAL.D 37 65.21 -36.55 118.09 65.66 -35.99 117.39 63.91 -34.71 119.02 64.29 -33.95 118.13 64.69 -36.00 119.33 65.87 -35.69 120.29 3 0 12.83-999 ?-999 ?-999 ? O4 PO4 C 511 mPRO.D 38 62.78 -34.47 119.72 62.55 -35.17 120.39 62.82 -32.01 119.74 63.42 -31.88 120.81 61.98 -33.26 119.49 60.85 -33.40 120.50 3 0 12.58-999 ?-999 ?-999 ? O4 PO4 C 511 mLEU^D 39 62.85 -31.10 118.76 62.28 -31.32 117.97 62.93 -28.64 119.36 61.91 -28.24 118.81 63.66 -29.90 118.89 64.37 -29.63 117.56 3 0 12.81-999 ?-999 ?-999 ? O4 PO4 C 511 mVAL^D 40 63.49 -28.02 120.40 64.31 -28.48 120.74 64.00 -25.71 120.80 65.12 -25.84 121.29 62.95 -26.80 120.98 62.65 -26.99 122.50 3 0 15.89-999 ?-999 ?-999 ? O4 PO4 C 511 mSER^D 41 63.65 -24.64 120.10 62.71 -24.65 119.75 64.58 -22.59 121.05 63.52 -22.33 121.64 64.58 -23.56 119.88 64.23 -22.82 118.59 2 0 13.84-999 ?-999 ?-999 ? O3 PO4 D 506 mVAL^D 42 65.75 -22.06 121.39 66.52 -22.36 120.82 66.78 -19.93 122.14 67.87 -20.10 121.58 65.89 -21.11 122.50 66.50 -21.77 123.74 3 0 11.13-999 ?-999 ?-999 ? O3 PO4 D 506 mPHE^D 43 66.33 -18.73 122.46 65.44 -18.72 122.92 67.06 -16.60 123.36 66.02 -16.47 124.01 67.10 -17.53 122.16 66.52 -16.83 120.93 3 0 -7.46-999 ?-999 ?-999 ? O3 PO4 D 506s mGLY.D 44 68.18 -15.97 123.66 68.95 -16.17 123.05 69.48 -14.16 124.69 70.26 -14.26 123.74 68.26 -15.05 124.78-999.99-999.99-999.99 1 0 5.42-999 ?-999 ?-999 ? O4 PO4 D 506 mSER.D 45 69.66 -13.29 125.68 68.96 -13.33 126.39 72.14 -13.06 125.51 72.39 -14.13 126.06 70.79 -12.37 125.69 70.81 -11.58 127.01 2 0 -3.62-999 ?-999 ?-999 ? O2 PO4 D 506s mALA.D 46 73.00 -12.45 124.70 72.65 -11.61 124.29 75.24 -12.27 125.44 76.43 -12.61 125.55 74.32 -12.97 124.46 74.76 -12.65 123.05 2 0 -3.80-999 ?-999 ?-999 ? O2 PO4 D 506s mARG.D 47 74.69 -11.31 126.17 73.71 -11.19 126.02 75.38 -10.89 128.58 76.37 -10.78 129.30 75.48 -10.52 127.10 75.13 -9.04 126.91 2 0 5.40-999 ?-999 ?-999 ? O2 PO4 D 506 mPHE.D 48 74.21 -11.33 129.03 73.50 -11.36 128.33 74.80 -12.99 130.78 74.51 -14.07 130.25 74.02 -11.71 130.43 72.53 -11.93 130.70 3 0 7.86-999 ?-999 ?-999 ? O2 PO4 D 506 mGLY.D 49 75.77 -12.86 131.67 75.89 -11.94 132.05 76.29 -14.64 133.38 75.34 -14.28 134.07 76.59 -14.00 132.04-999.99-999.99-999.99 1 0 10.81-999 ?-999 ?-999 ? O2 PO4 D 506 mGLU.D 50 77.13 -15.61 133.74 77.84 -15.80 133.07 76.67 -15.39 136.16 77.31 -14.35 136.33 77.00 -16.34 135.01 78.31 -17.09 135.30 2 0 14.35-999 ?-999 ?-999 ? O2 PO4 D 506 mGLY.D 51 75.68 -15.76 136.96 75.24 -16.63 136.73 73.97 -14.21 137.82 73.15 -14.07 138.71 75.29 -14.92 138.08-999.99-999.99-999.99 1 0 16.14-999 ?-999 ?-999 ? O2 PO4 D 506 mHIS~D 52 73.78 -13.77 136.57 74.55 -13.94 135.95 71.41 -14.11 136.15 71.61 -15.26 135.73 72.55 -13.08 136.18 72.73 -12.44 134.80 3 0 13.52-999 ?-999 ?-999 ? O2 PO4 D 506 mPRO~D 53 70.21 -13.71 136.60 70.16 -12.77 136.92 68.83 -15.30 135.25 68.73 -16.52 135.17 69.06 -14.63 136.60 67.89 -13.74 137.02 3 0 14.61-999 ?-999 ?-999 ? O2 PO4 D 506 mALA~D 54 68.77 -14.51 134.18 68.89 -13.54 134.39 69.46 -16.20 132.48 69.01 -17.22 131.96 68.53 -15.04 132.84 68.63 -13.93 131.80 2 0 11.49-999 ?-999 ?-999 ? O2 PO4 D 506 mTYR~D 55 70.76 -16.03 132.74 70.97 -15.13 133.13 71.46 -18.32 133.29 71.41 -19.44 132.78 71.77 -17.06 132.46 73.16 -16.53 132.84 3 0 11.65-999 ?-999 ?-999 ? O2 PO4 D 506 mGLU~D 56 71.26 -18.11 134.60 71.35 -17.16 134.89 69.71 -19.96 134.97 69.71 -21.19 134.88 70.95 -19.21 135.50 70.68 -18.65 136.91 2 0 15.40-999 ?-999 ?-999 ? O2 PO4 D 506 mALA~D 57 68.67 -19.22 134.60 68.81 -18.23 134.71 67.69 -20.56 132.77 67.00 -21.52 132.43 67.44 -19.83 134.10 66.35 -18.76 133.92 2 0 15.25-999 ?-999 ?-999 ? O4 PO4 D 506 mGLY~D 58 68.69 -20.10 132.02 69.18 -19.31 132.39 69.49 -22.14 131.06 69.13 -23.09 130.38 69.00 -20.74 130.76-999.99-999.99-999.99 1 0 13.34-999 ?-999 ?-999 ? O2 PO4 D 506 mTYR~D 59 70.31 -22.25 132.10 70.51 -21.40 132.59 69.70 -24.49 132.88 69.62 -25.63 132.41 70.84 -23.56 132.48 71.86 -23.42 133.62 3 0 16.33-999 ?-999 ?-999 ? O2 PO4 D 506 mARG~D 60 68.82 -24.01 133.75 68.99 -23.08 134.06 66.89 -25.25 132.97 66.47 -26.40 132.86 67.70 -24.84 134.19 66.83 -24.09 135.20 2 0 18.78-999 ?-999 ?-999 ? O4 PO4 D 506 mLEU~D 61 66.68 -24.32 132.04 67.07 -23.42 132.25 66.68 -25.73 130.05 66.12 -26.78 129.74 65.94 -24.64 130.81 65.79 -23.39 129.92 3 0 16.97-999 ?-999 ?-999 ? O4 PO4 D 506 mGLY~D 62 67.95 -25.48 129.75 68.29 -24.59 130.05 68.65 -27.84 129.66 68.27 -28.80 128.99 68.76 -26.45 129.03-999.99-999.99-999.99 1 0 17.15-999 ?-999 ?-999 ? O3 PO4 D 506 mARG~D 63 68.97 -27.94 130.95 69.25 -27.08 131.38 67.51 -29.84 131.66 67.34 -31.01 131.31 68.91 -29.22 131.63 69.42 -29.09 133.08 2 0 20.79-999 ?-999 ?-999 ? O3 PO4 D 506 mALA~D 64 66.51 -29.07 132.08 66.78 -28.13 132.33 64.65 -30.09 130.81 63.92 -31.09 130.74 65.15 -29.57 132.16 64.21 -28.49 132.69 2 0 22.00-999 ?-999 ?-999 ? O4 PO4 D 506 mLEU~D 65 65.03 -29.40 129.74 65.60 -28.60 129.92 65.26 -31.17 128.05 64.59 -32.09 127.57 64.62 -29.84 128.40 64.98 -28.78 127.35 3 0 20.87-999 ?-999 ?-999 ? O3 PO4 D 506 mALA~D 66 66.57 -31.28 128.30 66.97 -30.46 128.70 66.79 -33.71 128.78 66.75 -34.80 128.24 67.33 -32.50 128.02 68.80 -32.30 128.37 2 0 21.83-999 ?-999 ?-999 ? O4 PO4 C 511 mGLU~D 67 66.39 -33.50 130.03 66.48 -32.55 130.34 64.43 -34.95 130.49 63.97 -36.06 130.77 65.87 -34.58 130.85 65.97 -34.19 132.34 2 0 24.24-999 ?-999 ?-999 ? O4 PO4 C 511 mALA~D 68 63.71 -34.04 129.85 64.18 -33.17 129.68 62.35 -34.96 128.07 61.29 -35.23 127.49 62.34 -34.33 129.46 61.51 -33.06 129.45 2 0 22.53-999 ?-999 ?-999 ? O4 PO4 C 511 mGLY.D 69 63.55 -35.18 127.54 64.32 -34.89 128.09 63.70 -34.91 125.01 63.69 -35.42 123.89 63.67 -35.81 126.24-999.99-999.99-999.99 1 0 19.45-999 ?-999 ?-999 ? O4 PO4 C 511 mPHE.D 70 63.75 -33.59 125.20 63.75 -33.32 126.17 65.24 -32.25 123.78 66.08 -32.24 124.67 63.79 -32.66 124.08 63.01 -31.36 124.38 3 0 17.31-999 ?-999 ?-999 ? O4 PO4 C 511 mGLY^D 71 65.51 -31.91 122.51 64.74 -32.00 121.88 66.73 -29.91 122.07 65.64 -29.38 121.86 66.83 -31.43 122.12-999.99-999.99-999.99 1 0 16.19-999 ?-999 ?-999 ? O4 PO4 C 511 mVAL^D 72 67.84 -29.20 122.27 68.67 -29.74 122.43 68.57 -27.14 121.08 69.64 -27.62 120.74 67.80 -27.74 122.24 68.38 -27.13 123.55 3 0 16.63-999 ?-999 ?-999 ? O3 PO4 D 506 mVAL^D 73 68.00 -26.11 120.46 67.10 -25.87 120.82 68.77 -23.93 119.75 67.75 -23.27 120.00 68.66 -25.40 119.35 67.85 -25.49 118.03 3 0 14.20-999 ?-999 ?-999 ? O3 PO4 D 506 mTHR^D 74 70.00 -23.42 119.77 70.71 -24.07 119.50 71.03 -21.28 119.06 71.43 -21.88 118.07 70.27 -22.03 120.16 71.14 -21.97 121.45 2 0 10.57-999 ?-999 ?-999 ? O3 PO4 D 506 mGLY.D 75 71.24 -19.98 119.26 70.84 -19.60 120.09 73.50 -19.49 118.47 74.34 -18.99 117.72 72.01 -19.21 118.29-999.99-999.99-999.99 1 0 8.12-999 ?-999 ?-999 ? O3 PO4 D 506 mGLY.D 76 73.82 -20.28 119.49 73.05 -20.57 120.06 76.25 -19.68 120.22 77.44 -20.01 120.19 75.20 -20.67 119.75-999.99-999.99-999.99 1 0 9.95-999 ?-999 ?-999 ? O3 PO4 D 506 mGLY.D 77 75.86 -18.49 120.66 74.87 -18.32 120.65 77.14 -17.64 122.61 76.90 -18.69 123.19 76.85 -17.53 121.11-999.99-999.99-999.99 1 0 8.09-999 ?-999 ?-999 ? O3 PO4 D 506 mPRO.D 78 77.66 -16.57 123.24 77.82 -15.79 122.64 76.72 -16.18 125.47 75.62 -16.15 124.92 77.97 -16.54 124.68 79.02 -15.42 124.80 3 0 8.75-999 ?-999 ?-999 ? O2 PO4 D 506 mGLY~D 79 76.91 -15.89 126.76 77.86 -15.97 127.07 74.74 -16.54 127.85 75.04 -17.73 128.02 75.81 -15.49 127.62-999.99-999.99-999.99 1 0 7.91-999 ?-999 ?-999 ? O2 PO4 D 506 mVAL~D 80 73.49 -16.09 127.86 73.41 -15.11 127.71 72.31 -18.12 127.07 71.87 -19.23 127.39 72.36 -16.99 128.09 71.02 -16.21 128.07 3 0 8.40-999 ?-999 ?-999 ? O2 PO4 D 506 mMETD 81 72.77 -17.86 125.85 73.08 -16.92 125.72 73.65 -20.04 125.26 73.27 -21.21 125.16 72.79 -18.88 124.80 73.35 -18.31 123.49 2 0 8.39-999 ?-999 ?-999 ? O3 PO4 D 506 mGLU~D 82 74.83 -19.72 125.78 75.02 -18.74 125.82 75.15 -21.48 127.47 75.40 -22.67 127.66 75.73 -20.75 126.25 77.08 -20.15 126.61 2 0 11.47-999 ?-999 ?-999 ? O3 PO4 D 506 mALA~D 83 74.38 -20.77 128.28 74.25 -19.81 128.00 72.86 -22.52 129.07 72.94 -23.60 129.65 73.77 -21.36 129.46 72.97 -20.31 130.24 2 0 12.91-999 ?-999 ?-999 ? O2 PO4 D 506 mVAL~D 84 71.99 -22.29 128.09 72.03 -21.36 127.72 71.83 -24.49 127.00 71.51 -25.65 127.27 71.07 -23.31 127.61 70.10 -22.72 126.57 3 0 13.52-999 ?-999 ?-999 ? O3 PO4 D 506 mASN~D 85 72.84 -24.19 126.19 72.98 -23.21 126.05 74.32 -26.09 126.63 74.26 -27.32 126.59 73.64 -25.24 125.56 74.69 -24.62 124.63 2 0 14.61-999 ?-999 ?-999 ? O3 PO4 D 506 mARG~D 86 74.95 -25.43 127.61 74.92 -24.43 127.52 74.67 -27.02 129.50 74.92 -28.21 129.71 75.63 -26.13 128.70 76.31 -25.11 129.63 2 0 17.04-999 ?-999 ?-999 ? O3 PO4 D 506 mGLY~D 87 73.55 -26.44 129.94 73.45 -25.47 129.71 72.09 -28.47 130.01 72.08 -29.55 130.61 72.57 -27.21 130.71-999.99-999.99-999.99 1 0 18.48-999 ?-999 ?-999 ? O3 PO4 D 506 mALA~D 88 71.67 -28.35 128.76 71.72 -27.42 128.40 72.31 -30.47 127.68 72.12 -31.69 127.72 71.18 -29.49 127.99 70.53 -29.02 126.69 2 0 19.27-999 ?-999 ?-999 ? O3 PO4 D 506 mTYR~D 89 73.47 -29.93 127.36 73.48 -28.93 127.36 75.06 -31.60 128.23 75.06 -32.84 128.14 74.63 -30.74 127.04 75.82 -29.86 126.64 3 0 20.39-999 ?-999 ?-999 ? O3 PO4 D 506 mGLU~D 90 75.43 -30.95 129.32 75.37 -29.95 129.26 74.81 -32.60 131.06 75.09 -33.39 131.94 75.88 -31.66 130.51 76.34 -30.67 131.59 2 0 22.71-999 ?-999 ?-999 ? O3 PO4 D 506 mALA.D 91 73.60 -32.51 130.52 73.51 -31.81 129.82 72.43 -34.56 129.97 71.54 -35.40 130.07 72.52 -33.39 130.95 71.19 -32.63 130.98 2 0 24.04-999 ?-999 ?-999 ? O3 PO4 D 506 mGLY.D 92 73.38 -34.60 129.03 74.04 -33.85 129.07 72.38 -35.50 126.92 72.15 -36.42 126.13 73.41 -35.66 128.03-999.99-999.99-999.99 1 0 22.45-999 ?-999 ?-999 ? O4 PO4 D 508 mGLY.D 93 71.76 -34.33 126.84 72.03 -33.66 127.53 71.42 -33.65 124.52 72.64 -33.39 124.47 70.77 -34.10 125.81-999.99-999.99-999.99 1 0 20.30-999 ?-999 ?-999 ? O4 PO4 D 508 mVAL.D 94 70.62 -33.59 123.46 69.67 -33.87 123.64 71.11 -31.61 122.19 70.08 -30.98 122.45 71.10 -33.14 122.16 70.18 -33.65 121.02 3 0 16.99-999 ?-999 ?-999 ? O4 PO4 D 508 mSER^D 95 72.28 -31.02 121.97 73.02 -31.66 121.77 72.93 -29.04 120.67 74.05 -29.34 120.24 72.43 -29.57 122.01 73.40 -29.19 123.14 2 0 18.08-999 ?-999 ?-999 ? O3 PO4 D 506 mVAL^D 96 72.10 -28.25 120.00 71.23 -28.06 120.44 72.78 -26.22 118.77 72.12 -25.48 119.51 72.49 -27.71 118.70 71.39 -27.93 117.67 3 0 16.35-999 ?-999 ?-999 ? O3 PO4 D 506 mGLY^D 97 73.75 -25.79 117.97 74.20 -26.51 117.44 74.07 -23.91 116.46 74.71 -24.48 115.58 74.12 -24.39 117.91-999.99-999.99-999.99 1 0 13.47-999 ?-999 ?-999 ? O3 PO4 D 506 mLEU^D 98 73.28 -22.88 116.21 72.76 -22.53 116.99 74.10 -21.08 114.96 73.61 -19.95 115.08 73.21 -22.32 114.86 71.77 -21.95 114.51 3 0 12.50-999 ?-999 ?-999 ? O3 PO4 D 506 mASN^D 99 75.40 -21.32 114.93 75.64 -22.29 114.80 76.56 -19.35 113.88 76.63 -19.78 112.73 76.40 -20.27 115.06 77.76 -20.89 115.39 2 0 11.65-999 ?-999 ?-999 ? O3 PO4 D 506 mILE^D 100 76.61 -18.06 114.16 76.53 -17.82 115.12 78.22 -16.61 113.12 78.74 -16.24 114.17 76.80 -17.11 113.10 75.79 -15.95 113.22 3 0 11.03-999 ?-999 ?-999 ? O3 PO4 D 506 mGLU.D 101 78.86 -16.64 111.96 78.31 -17.01 111.20 80.28 -14.65 111.86 80.52 -14.00 110.84 80.23 -16.18 111.80 80.81 -16.66 110.45 2 0 11.87-999 ?-999 ?-999 ? O1 PO4 D 512 mLEU.D 102 80.03 -14.09 113.04 79.84 -14.73 113.78 81.43 -12.06 112.86 82.32 -12.78 112.40 80.05 -12.63 113.21 79.70 -12.23 114.65 3 0 11.67-999 ?-999 ?-999 ? O3 PO4 D 506 mPRO.D 108 82.53 -20.34 118.81 83.38 -19.93 118.50 81.47 -21.67 120.60 82.45 -22.40 120.77 81.27 -20.96 119.26 80.94 -21.94 118.14 3 0 13.74-999 ?-999 ?-999 ? O3 PO4 D 506 mASN.D 109 80.54 -21.46 121.53 79.79 -20.85 121.26 80.87 -23.61 122.62 80.36 -24.20 121.66 80.65 -22.11 122.83 79.40 -21.83 123.69 2 0 14.16-999 ?-999 ?-999 ? O3 PO4 D 506 mPRO.D 110 81.64 -24.25 123.51 82.00 -23.66 124.24 80.92 -26.65 124.03 81.29 -27.74 124.47 81.94 -25.68 123.43 83.29 -25.77 124.13 3 0 17.80-999 ?-999 ?-999 ? O3 PO4 D 506 mTYR.D 111 79.64 -26.28 124.05 79.45 -25.38 123.66 77.57 -27.56 123.59 76.37 -27.52 123.88 78.64 -27.18 124.61 77.97 -26.54 125.83 3 0 17.60-999 ?-999 ?-999 ? O3 PO4 D 506 mGLN.D 112 78.01 -27.95 122.40 79.01 -27.95 122.31 77.38 -29.74 120.82 78.53 -30.09 120.55 77.09 -28.33 121.34 77.19 -27.33 120.17 2 0 17.72-999 ?-999 ?-999 ? O3 PO4 D 506 mTHR.D 113 76.32 -30.54 120.70 75.46 -30.11 120.99 76.55 -31.83 118.68 77.03 -32.76 118.04 76.41 -31.90 120.19 75.14 -32.70 120.50 2 0 16.64-999 ?-999 ?-999 ? O4 PO4 D 508 mHIS^D 114 76.11 -30.70 118.12 75.73 -30.05 118.78 76.29 -28.95 116.48 75.42 -28.19 116.89 76.17 -30.45 116.69 74.90 -30.94 116.00 3 0 14.36-999 ?-999 ?-999 ? O4 PO4 D 508 mALA^D 115 77.39 -28.52 115.84 78.00 -29.26 115.56 77.54 -26.74 114.12 78.31 -27.22 113.30 77.64 -27.11 115.59 79.03 -26.73 116.11 2 0 16.25-999 ?-999 ?-999 ? O1 PO4 D 508 mLEU^D 116 76.58 -25.88 113.79 76.01 -25.57 114.55 77.03 -24.08 112.20 76.74 -23.13 112.93 76.40 -25.45 112.40 74.91 -25.41 112.04 3 0 14.84-999 ?-999 ?-999 ? O1 PO4 D 508 mSER^D 117 77.91 -23.99 111.20 78.04 -24.85 110.71 77.78 -21.97 109.83 77.75 -22.33 108.66 78.60 -22.75 110.87 79.99 -23.09 110.32 2 0 13.65-999 ?-999 ?-999 ? O4 PO4 D 512 mLEU^D 118 77.13 -20.90 110.28 77.29 -20.71 111.25 76.75 -18.65 109.23 77.28 -18.02 110.15 76.27 -20.08 109.42 74.87 -20.02 110.02 3 0 12.51-999 ?-999 ?-999 ? O4 PO4 D 512 mARG.D 119 76.56 -18.12 108.03 76.11 -18.72 107.37 75.79 -15.88 107.47 75.85 -14.67 107.64 76.98 -16.75 107.77 77.94 -16.70 106.58 2 0 10.01-999 ?-999 ?-999 ? O1 PO4 D 512 mTYR~D 120 74.72 -16.51 107.03 74.80 -17.51 106.98 72.36 -15.83 107.62 71.76 -16.88 107.87 73.53 -15.78 106.64 73.11 -16.22 105.23 3 0 11.68-999 ?-999 ?-999 ? O1 PO4 D 512 mPHE~D 121 72.03 -14.66 108.15 72.60 -13.90 107.84 69.64 -15.14 108.64 68.92 -15.72 109.45 70.96 -14.51 109.11 70.75 -13.02 109.42 3 0 12.22-999 ?-999 ?-999 ? O3 PO4 D 506 mPHE~D 122 69.32 -15.05 107.34 69.99 -14.59 106.76 68.06 -17.16 106.80 66.99 -17.79 106.84 68.07 -15.63 106.87 67.65 -15.00 105.54 3 0 15.03-999 ?-999 ?-999 ? O3 PO4 D 506 mVAL~D 123 69.24 -17.77 106.71 70.04 -17.17 106.66 69.15 -19.69 108.12 68.56 -20.75 108.41 69.30 -19.22 106.68 70.65 -19.73 106.16 3 0 15.38-999 ?-999 ?-999 ? O1 PO4 C 511 mARG~D 124 69.68 -18.89 109.04 70.11 -18.06 108.68 68.16 -19.15 110.92 67.72 -19.98 111.72 69.60 -19.24 110.45 70.46 -18.28 111.27 2 0 13.13-999 ?-999 ?-999 ? O3 PO4 D 506 mLYS~D 125 67.44 -18.15 110.43 67.93 -17.56 109.79 65.18 -19.13 110.37 64.31 -19.58 111.11 66.04 -17.95 110.82 65.48 -16.66 110.19 2 0 13.12-999 ?-999 ?-999 ? O3 PO4 D 506 mVAL~D 126 65.41 -19.62 109.16 66.12 -19.15 108.64 64.95 -21.99 109.55 64.05 -22.65 110.04 64.64 -20.76 108.67 64.96 -21.07 107.17 3 0 12.59-999 ?-999 ?-999 ? O1 PO4 C 511 mLEU~D 127 66.24 -22.26 109.76 66.88 -21.62 109.34 66.13 -23.37 112.00 65.99 -24.41 112.65 66.63 -23.42 110.56 68.15 -23.59 110.54 3 0 11.64-999 ?-999 ?-999 ? O1 PO4 C 511 mPHE~D 128 65.87 -22.17 112.51 66.03 -21.42 111.88 63.96 -22.57 114.06 63.63 -23.11 115.10 65.38 -22.01 113.88 65.38 -20.52 114.28 3 0 13.98-999 ?-999 ?-999 ? O3 PO4 D 506 mVAL~D 129 63.13 -22.44 113.03 63.53 -22.01 112.22 61.32 -24.13 112.30 60.28 -24.73 112.56 61.74 -22.90 113.12 60.79 -21.75 112.78 3 0 12.43-999 ?-999 ?-999 ? O1 PO4 C 511 mARG~D 130 62.13 -24.50 111.32 62.96 -23.95 111.24 61.42 -26.91 111.14 60.58 -27.66 110.64 61.83 -25.63 110.44 63.03 -25.92 109.54 2 0 -8.63-999 ?-999 ?-999 ? O1 PO4 C 511s mTYR.D 131 62.02 -27.19 112.29 62.67 -26.50 112.61 61.38 -28.17 114.47 61.36 -29.10 115.29 61.72 -28.42 113.00 62.92 -29.38 112.93 3 0 8.36-999 ?-999 ?-999 ? O4 PO4 C 511 mALA^D 132 61.10 -26.92 114.81 61.10 -26.27 114.05 59.42 -27.00 116.66 58.45 -26.87 115.93 60.80 -26.57 116.20 60.96 -25.06 116.39 2 0 12.04-999 ?-999 ?-999 ? O4 PO4 C 511 mVAL^D 133 59.37 -27.54 117.88 60.25 -27.61 118.34 57.82 -27.03 119.62 56.93 -27.26 120.42 58.12 -27.98 118.48 58.21 -29.42 119.06 3 0 13.64-999 ?-999 ?-999 ? O4 PO4 C 511 mGLY^D 134 58.59 -25.95 119.68 59.29 -25.89 118.96 59.60 -24.00 120.65 60.70 -24.38 120.22 58.43 -24.96 120.72-999.99-999.99-999.99 1 0 16.94-999 ?-999 ?-999 ? O4 PO4 C 511 mPHE^D 135 59.37 -22.77 121.06 58.43 -22.61 121.37 60.32 -20.98 122.37 59.26 -20.49 122.77 60.40 -21.75 121.04 60.18 -20.81 119.85 3 0 14.68-999 ?-999 ?-999 ? O4 PO4 D 506 mVAL^D 136 61.47 -20.90 123.05 62.24 -21.33 122.59 62.45 -18.99 124.27 63.61 -19.05 123.83 61.57 -20.23 124.34 62.19 -21.16 125.40 3 0 12.87-999 ?-999 ?-999 ? O4 PO4 D 506 mPHE^D 137 61.90 -17.87 124.73 60.97 -17.95 125.08 63.01 -16.10 126.09 62.14 -15.83 126.92 62.66 -16.63 124.70 61.90 -15.57 123.90 3 0 9.66-999 ?-999 ?-999 ? O4 PO4 D 506 mLEU.D 138 64.31 -15.97 126.33 64.91 -16.25 125.57 65.19 -14.00 127.42 65.29 -13.49 126.29 64.81 -15.47 127.59 66.03 -16.29 128.03 3 0 8.78-999 ?-999 ?-999 ? O4 PO4 D 506 mPRO.D 139 65.38 -13.28 128.53 65.24 -13.79 129.38 66.94 -11.63 127.54 67.98 -12.28 127.68 65.76 -11.86 128.48 66.11 -11.55 129.93 3 0 7.46-999 ?-999 ?-999 ? O4 PO4 D 506 mGLY.D 140 66.79 -10.72 126.58 65.89 -10.27 126.57 67.81 -9.02 125.13 67.18 -8.16 125.75 67.86 -10.44 125.64-999.99-999.99-999.99 1 0 -3.82-999 ?-999 ?-999 ? O4 PO4 D 506s mGLY~D 141 68.48 -8.76 124.00 68.94 -9.55 123.60 68.00 -7.37 121.99 66.97 -7.97 121.68 68.50 -7.42 123.43-999.99-999.99-999.99 1 0 -3.44-999 ?-999 ?-999 ? O4 PO4 D 506s mPHE~D 142 68.71 -6.67 121.10 69.53 -6.23 121.46 68.05 -8.00 119.10 66.95 -8.33 118.62 68.25 -6.60 119.71 69.24 -5.80 118.85 3 0 -4.14-999 ?-999 ?-999 ? O1 PO4 D 506s mGLY~D 143 69.10 -8.82 119.14 69.92 -8.44 119.57 67.78 -10.95 119.04 67.07 -11.53 118.21 69.01 -10.17 118.61-999.99-999.99-999.99 1 0 -3.44-999 ?-999 ?-999 ? O1 PO4 D 506s mTHR~D 144 67.52 -10.98 120.34 68.17 -10.46 120.90 65.03 -11.13 120.40 64.10 -11.87 120.09 66.37 -11.71 120.88 66.43 -11.73 122.43 2 0 -3.81-999 ?-999 ?-999 ? O4 PO4 D 506s mLEU~D 145 64.92 -9.80 120.36 65.73 -9.30 120.67 63.47 -9.52 118.40 62.35 -9.81 117.97 63.70 -9.17 119.88 63.81 -7.66 120.03 3 0 6.58-999 ?-999 ?-999 ? O4 PO4 D 506 mASP~D 146 64.56 -9.50 117.64 65.40 -9.26 118.13 63.99 -11.19 115.97 63.04 -11.37 115.22 64.53 -9.79 116.21 65.95 -9.64 115.64 2 0 8.00-999 ?-999 ?-999 ? O4 PO4 D 506 mGLU~D 147 64.59 -12.17 116.63 65.34 -11.87 117.22 62.73 -13.78 116.98 62.02 -14.63 116.44 64.16 -13.55 116.49 65.12 -14.47 117.25 2 0 8.59-999 ?-999 ?-999 ? O4 PO4 D 506 mLEU~D 148 62.31 -13.02 117.99 62.98 -12.37 118.33 59.97 -12.62 117.50 58.99 -13.29 117.18 60.96 -13.16 118.53 60.83 -12.36 119.83 3 0 9.88-999 ?-999 ?-999 ? O4 PO4 D 506 mSER~D 149 60.23 -11.41 117.00 61.05 -10.99 117.39 59.22 -11.71 114.78 58.13 -11.87 114.25 59.39 -10.78 115.98 60.05 -9.49 115.47 2 0 10.27-999 ?-999 ?-999 ? O3 PO4 C 505 mGLU~D 150 60.33 -12.32 114.36 61.15 -12.09 114.87 59.32 -14.36 113.48 58.40 -14.60 112.69 60.31 -13.24 113.23 61.69 -13.85 113.01 2 0 10.95-999 ?-999 ?-999 ? O3 PO4 C 505 mVAL~D 151 59.51 -15.06 114.59 60.30 -14.76 115.14 57.19 -15.74 114.97 56.34 -16.40 114.38 58.65 -16.17 114.95 59.04 -16.76 116.31 3 0 12.40-999 ?-999 ?-999 ? O3 PO4 C 505 mLEU~D 152 56.90 -14.63 115.63 57.66 -14.15 116.06 54.94 -13.99 114.28 53.84 -14.43 113.99 55.51 -14.20 115.67 55.35 -12.94 116.53 3 0 9.84-999 ?-999 ?-999 ? O3 PO4 C 505 mVAL~D 153 55.70 -13.35 113.38 56.60 -13.07 113.71 54.98 -14.40 111.20 54.01 -14.52 110.44 55.17 -13.12 112.03 56.05 -12.13 111.23 3 0 7.23-999 ?-999 ?-999 ? O3 PO4 C 505 mLEU~D 154 55.90 -15.35 111.35 56.62 -15.12 112.00 54.58 -17.39 111.10 53.86 -17.99 110.29 55.81 -16.60 110.61 57.08 -17.44 110.82 3 0 10.40-999 ?-999 ?-999 ? O3 PO4 C 505 mLEU~D 155 54.35 -17.37 112.41 55.01 -16.84 112.94 51.91 -17.37 112.63 50.99 -18.00 112.15 53.22 -18.07 113.01 53.37 -18.13 114.53 3 0 11.56-999 ?-999 ?-999 ? O3 PO4 C 505 mGLN~D 156 51.86 -16.06 112.86 52.70 -15.69 113.26 50.28 -15.44 111.09 49.10 -15.59 110.76 50.69 -15.26 112.54 51.01 -13.77 112.79 2 0 8.73-999 ?-999 ?-999 ? O3 PO4 C 505 mTHR~D 157 51.29 -15.44 110.22 52.19 -15.36 110.66 51.05 -16.94 108.19 50.81 -17.10 106.99 51.12 -15.54 108.79 52.25 -14.72 108.13 2 0 8.69-999 ?-999 ?-999 ? O3 PO4 C 505 mGLU.D 158 51.24 -17.96 109.02 51.40 -17.69 109.97 52.34 -19.65 107.58 52.13 -20.34 106.59 51.21 -19.34 108.55 49.89 -19.66 107.84 2 0 12.48-999 ?-999 ?-999 ? O3 PO4 C 505 mLYS.D 159 53.54 -19.13 107.83 53.60 -18.55 108.65 55.36 -20.67 107.43 56.23 -21.22 106.75 54.65 -19.42 106.93 55.61 -18.25 106.86 2 0 13.12-999 ?-999 ?-999 ? O3 PO4 C 505 mVAL.D 160 54.97 -21.10 108.62 54.25 -20.56 109.05 54.52 -22.94 110.11 53.55 -22.30 110.51 55.57 -22.28 109.24 56.78 -21.89 110.13 3 0 12.56-999 ?-999 ?-999 ? O1 PO4 C 511 mHIS.D 161 54.72 -24.22 110.41 55.55 -24.61 110.00 53.78 -24.31 112.62 54.71 -23.59 112.99 53.81 -24.98 111.25 54.30 -26.43 111.40 3 0 12.44-999 ?-999 ?-999 ? O1 PO4 C 511 mARG.D 162 52.72 -24.56 113.38 52.05 -25.19 112.98 53.32 -24.63 115.83 53.53 -25.83 115.82 52.58 -23.93 114.69 51.08 -23.81 115.04 2 0 15.68-999 ?-999 ?-999 ? O1 PO4 C 511 mPHE.D 163 53.71 -23.84 116.82 53.48 -22.87 116.69 54.26 -23.32 119.12 54.10 -22.13 118.88 54.40 -24.34 118.00 55.88 -24.62 117.70 3 0 16.61-999 ?-999 ?-999 ? O4 PO4 C 511 mPRO.D 164 54.27 -23.78 120.38 54.38 -24.78 120.45 55.33 -21.95 121.57 56.44 -22.32 121.17 54.14 -22.88 121.52 54.11 -23.84 122.71 3 0 19.73-999 ?-999 ?-999 ? O3 PO4 C 505 mVAL^D 165 55.11 -20.73 122.06 54.16 -20.56 122.33 56.12 -19.25 123.63 55.06 -18.83 124.11 56.17 -19.75 122.20 55.99 -18.54 121.23 3 0 16.40-999 ?-999 ?-999 ? O4 PO4 D 506 mPHE^D 166 57.25 -19.30 124.32 58.04 -19.65 123.83 58.23 -17.74 125.99 59.35 -17.69 125.45 57.27 -18.87 125.71 57.63 -20.03 126.64 3 0 15.39-999 ?-999 ?-999 ? O4 PO4 D 506 mLEU^D 167 57.78 -16.81 126.83 56.85 -16.96 127.16 58.86 -15.81 128.73 57.93 -15.69 129.54 58.61 -15.69 127.23 57.92 -14.37 126.91 3 0 13.21-999 ?-999 ?-999 ? O4 PO4 D 506 mLEU^D 168 60.12 -16.06 129.10 60.75 -16.16 128.33 60.79 -14.79 131.09 61.40 -13.95 130.42 60.51 -16.17 130.50 61.76 -17.06 130.62 3 0 13.58-999 ?-999 ?-999 ? O4 PO4 D 506 mASP~D 169 60.32 -14.57 132.32 59.83 -15.37 132.69 59.42 -12.28 132.71 59.66 -11.42 131.86 60.49 -13.32 133.07 61.88 -12.72 132.82 2 0 14.46-999 ?-999 ?-999 ? O4 PO4 D 506 mARG~D 170 58.26 -12.37 133.36 58.22 -13.11 134.03 57.58 -9.99 133.28 57.13 -9.10 132.55 57.16 -11.44 133.10 55.97 -11.75 134.02 2 0 16.57-999 ?-999 ?-999 ? O4 PO4 D 506 mGLY~D 171 58.46 -9.75 134.25 58.75 -10.55 134.78 59.69 -7.83 133.32 59.34 -6.77 132.81 58.92 -8.40 134.50-999.99-999.99-999.99 1 0 16.40-999 ?-999 ?-999 ? O4 PO4 D 506 mTYR~D 172 60.73 -8.53 132.88 60.88 -9.40 133.36 60.81 -7.74 130.49 61.06 -6.70 129.87 61.56 -8.07 131.78 62.64 -9.09 131.48 3 0 12.72-999 ?-999 ?-999 ? O4 PO4 D 506 mTRP~D 173 59.89 -8.62 130.08 59.79 -9.40 130.70 57.89 -7.53 128.98 57.18 -7.29 128.01 59.11 -8.44 128.85 58.62 -9.80 128.33 3 0 12.60-999 ?-999 ?-999 ? O4 PO4 D 506 mGLU~D 174 57.66 -7.04 130.19 58.33 -7.31 130.88 56.25 -5.08 129.47 55.17 -5.00 128.89 56.51 -6.19 130.48 56.65 -5.58 131.87 2 0 16.08-999 ?-999 ?-999 ? O4 PO4 D 506 mGLY~D 175 57.25 -4.23 129.27 58.08 -4.42 129.78 56.69 -3.48 126.94 55.93 -2.77 126.29 57.08 -3.11 128.35-999.99-999.99-999.99 1 0 15.79-999 ?-999 ?-999 ? O4 PO4 D 506 mLEU~D 176 57.22 -4.61 126.47 57.81 -5.10 127.11 55.54 -5.66 124.93 54.84 -5.31 123.98 56.94 -5.07 125.11 58.01 -6.10 124.71 3 0 14.11-999 ?-999 ?-999 ? O4 PO4 D 506 mVAL~D 177 55.11 -6.53 125.84 55.74 -6.70 126.60 52.65 -6.16 125.80 51.60 -6.35 125.18 53.80 -7.15 125.69 53.60 -8.31 126.70 3 0 15.66-999 ?-999 ?-999 ? O2 PO4 C 505 mARG~D 178 52.84 -5.11 126.59 53.72 -5.08 127.06 51.76 -3.31 125.44 50.68 -3.00 124.93 51.81 -4.10 126.73 52.08 -3.20 127.93 2 0 16.53-999 ?-999 ?-999 ? O2 PO4 C 505 mTRP~D 179 52.93 -3.00 124.88 53.74 -3.30 125.38 52.23 -3.14 122.58 51.47 -2.63 121.77 52.94 -2.28 123.63 54.37 -1.97 123.17 3 0 13.61-999 ?-999 ?-999 ? O2 PO4 C 505 mLEU~D 180 52.48 -4.45 122.61 53.12 -4.74 123.32 50.34 -5.37 121.88 49.55 -5.56 120.94 51.84 -5.36 121.66 52.38 -6.79 121.82 3 0 11.48-999 ?-999 ?-999 ? O2 PO4 C 505 mALA~D 181 49.96 -5.16 123.14 50.71 -5.04 123.78 47.97 -3.86 122.92 46.80 -3.83 122.50 48.55 -5.12 123.53 48.44 -5.09 125.05 2 0 13.97-999 ?-999 ?-999 ? O2 PO4 C 505 mPHE~D 182 48.79 -2.81 122.90 49.68 -2.97 123.31 48.10 -1.78 120.82 47.09 -1.30 120.29 48.39 -1.54 122.31 49.52 -0.52 122.47 3 0 13.27-999 ?-999 ?-999 ? O2 PO4 C 505 mLEU~D 183 48.97 -2.53 120.17 49.74 -2.86 120.72 47.47 -3.51 118.49 46.78 -3.18 117.52 48.80 -2.83 118.75 49.93 -3.73 118.26 3 0 9.63-999 ?-999 ?-999 ? O2 PO4 C 505 mARG~D 184 47.10 -4.47 119.34 47.74 -4.66 120.08 44.71 -4.17 119.37 43.68 -4.25 118.72 45.83 -5.15 119.14 45.67 -6.33 120.10 2 0 11.07-999 ?-999 ?-999 ? O3 PO4 C 505 mASP~D 185 44.90 -3.24 120.30 45.77 -3.30 120.79 43.77 -1.41 119.29 42.68 -1.03 118.87 43.88 -2.24 120.55 44.24 -1.34 121.74 2 0 13.63-999 ?-999 ?-999 ? O4 PO4 C 505 mGLN~D 186 44.92 -1.15 118.68 45.73 -1.53 119.12 44.53 -1.12 116.21 44.45 -0.55 115.13 44.97 -0.35 117.45 46.38 0.17 117.24 2 0 11.18-999 ?-999 ?-999 ? O4 PO4 C 505 mLYS.D 187 44.24 -2.41 116.36 44.33 -2.73 117.31 44.97 -3.53 114.28 44.76 -3.98 113.16 43.82 -3.26 115.24 42.66 -2.61 114.46 2 0 9.42-999 ?-999 ?-999 ? O4 PO4 C 505 mALA.D 188 46.19 -3.23 114.72 46.22 -2.85 115.64 47.64 -4.96 113.86 48.35 -5.46 113.00 47.38 -3.46 113.89 48.58 -2.72 114.49 2 0 6.06-999 ?-999 ?-999 ? O4 PO4 C 505 mVAL.D 189 47.03 -5.66 114.81 46.47 -5.11 115.43 45.79 -7.70 115.12 44.88 -7.01 115.57 47.17 -7.11 114.93 48.04 -7.46 116.16 3 0 6.79-999 ?-999 ?-999 ? O3 PO4 C 505 mGLY.D 190 45.64 -8.98 114.78 46.46 -9.42 114.43 43.96 -10.01 116.34 44.81 -10.07 117.23 44.35 -9.63 114.92-999.99-999.99-999.99 1 0 9.36-999 ?-999 ?-999 ? O3 PO4 C 505 mPRO.D 191 42.67 -10.28 116.58 42.12 -10.20 115.75 42.78 -11.76 118.65 42.73 -11.77 119.88 42.07 -10.66 117.87 40.65 -11.08 117.47 3 0 13.08-999 ?-999 ?-999 ? O3 PO4 C 505 mGLU~D 192 43.43 -12.69 117.95 43.39 -12.57 116.96 45.65 -13.83 118.46 46.29 -14.78 118.91 44.12 -13.79 118.61 43.55 -15.12 118.13 2 0 13.42-999 ?-999 ?-999 ? O3 PO4 C 505 mASP~D 193 46.24 -12.81 117.84 45.61 -12.08 117.55 48.56 -12.69 118.86 49.73 -13.07 118.83 47.68 -12.77 117.61 48.01 -11.63 116.64 2 0 10.41-999 ?-999 ?-999 ? O3 PO4 C 505 mLEU~D 194 48.01 -12.19 119.96 47.06 -11.90 119.86 48.81 -13.49 121.83 49.59 -13.76 122.74 48.78 -12.11 121.19 48.14 -11.10 122.14 3 0 12.65-999 ?-999 ?-999 ? O3 PO4 C 505 mGLN~D 195 47.93 -14.35 121.34 47.36 -13.98 120.60 48.94 -16.59 121.28 49.14 -17.71 121.75 47.81 -15.72 121.82 46.46 -16.29 121.41 2 0 15.21-999 ?-999 ?-999 ? O3 PO4 C 505 mLEU~D 196 49.67 -16.09 120.29 49.39 -15.18 119.99 51.93 -17.06 120.72 52.90 -17.76 120.42 50.79 -16.85 119.72 51.33 -16.14 118.47 3 0 13.85-999 ?-999 ?-999 ? O3 PO4 C 505 mPHE~D 197 51.81 -16.45 121.90 50.98 -15.91 122.01 52.25 -16.48 124.34 51.09 -16.10 124.52 52.84 -16.57 122.93 53.91 -15.49 122.73 3 0 16.08-999 ?-999 ?-999 ? O3 PO4 C 505 mARG^D 198 53.06 -16.82 125.33 53.97 -17.12 125.03 53.83 -16.48 127.65 54.93 -16.97 127.43 52.65 -16.76 126.73 52.00 -18.08 127.15 2 0 18.70-999 ?-999 ?-999 ? O4 PO4 D 506 mLEU^D 199 53.59 -15.67 128.67 52.65 -15.31 128.71 54.65 -16.43 130.69 53.63 -17.06 130.99 54.62 -15.34 129.63 54.34 -13.99 130.31 3 0 17.45-999 ?-999 ?-999 ? O4 PO4 D 506 mTHR^D 200 55.83 -16.67 131.25 56.58 -16.12 130.87 57.25 -17.23 133.06 58.17 -16.66 132.48 56.00 -17.65 132.31 56.17 -19.09 131.75 2 0 18.42-999 ?-999 ?-999 ? O4 PO4 D 506 mASP.D 201 57.28 -17.48 134.37 56.47 -17.96 134.71 59.49 -18.13 135.42 60.63 -17.79 135.73 58.41 -17.08 135.19 57.90 -16.58 136.54 2 0 18.37-999 ?-999 ?-999 ? O4 PO4 D 506 mGLU~D 202 59.15 -19.41 135.27 58.21 -19.59 135.00 60.27 -21.44 134.37 59.28 -21.80 133.74 60.16 -20.43 135.50 59.90 -21.16 136.82 2 0 19.10-999 ?-999 ?-999 ? O4 PO4 D 506 mPRO~D 203 61.50 -21.92 134.11 62.20 -21.54 134.71 60.91 -24.16 133.24 60.37 -24.72 132.28 61.78 -22.91 133.07 63.26 -23.23 133.29 3 0 18.27-999 ?-999 ?-999 ? O4 PO4 D 506 mGLU~D 204 60.78 -24.58 134.49 61.25 -24.02 135.17 58.63 -25.75 134.19 58.15 -26.78 133.71 60.01 -25.76 134.82 59.91 -25.90 136.33 2 0 22.02-999 ?-999 ?-999 ? O4 PO4 D 506 mGLU~D 205 57.98 -24.59 134.21 58.49 -23.84 134.64 56.62 -24.72 132.17 55.73 -25.41 131.67 56.64 -24.45 133.66 56.12 -23.05 133.94 2 0 22.26-999 ?-999 ?-999 ? O4 PO4 D 506 mVAL~D 206 57.61 -24.17 131.46 58.26 -23.63 132.00 57.87 -25.84 129.68 57.18 -26.35 128.80 57.71 -24.36 130.02 58.91 -23.60 129.43 3 0 19.92-999 ?-999 ?-999 ? O4 PO4 D 506 mVAL~D 207 58.78 -26.52 130.37 59.28 -25.99 131.05 57.71 -28.71 130.43 57.42 -29.75 129.84 59.00 -27.94 130.12 60.15 -28.50 130.98 3 0 21.94-999 ?-999 ?-999 ? O4 PO4 D 506 mGLN~D 208 56.94 -28.17 131.37 57.29 -27.32 131.75 54.66 -28.69 130.64 54.11 -29.70 130.20 55.68 -28.79 131.78 55.14 -28.08 133.02 2 0 24.95-999 ?-999 ?-999 ? O4 PO4 D 506 mALA~D 209 54.43 -27.47 130.17 54.96 -26.75 130.62 53.91 -27.94 127.81 53.07 -28.29 126.97 53.49 -27.23 129.09 53.36 -25.73 128.83 2 0 24.29-999 ?-999 ?-999 ? O4 PO4 D 506 mLEU~D 210 55.22 -28.13 127.64 55.79 -27.78 128.38 55.38 -30.29 126.51 54.84 -30.83 125.55 55.74 -28.82 126.47 57.25 -28.67 126.37 3 0 21.18-999 ?-999 ?-999 ? O4 PO4 C 511 mLYS~D 211 55.68 -30.94 127.64 56.11 -30.38 128.35 53.96 -32.68 127.35 53.65 -33.83 127.04 55.38 -32.36 127.79 55.63 -32.82 129.23 2 0 21.93-999 ?-999 ?-999 ? O4 PO4 C 511 mALA~D 212 53.11 -31.66 127.31 53.48 -30.79 127.63 51.76 -31.50 125.34 51.63 -30.34 124.95 51.74 -31.84 126.84 50.79 -30.92 127.58 2 0 22.48-999 ?-999 ?-999 ? O4 PO4 C 511 mGLU.D 213 51.97 -32.52 124.51 52.08 -33.41 124.97 51.68 -33.67 122.34 51.00 -34.52 122.90 52.03 -32.35 123.06 53.43 -31.89 122.64 2 0 19.01-999 ?-999 ?-999 ? O4 PO4 C 511 mALA.D 214 52.17 -33.82 121.11 52.72 -33.04 120.80 51.94 -36.32 121.06 52.86 -36.57 121.84 51.92 -35.00 120.28 52.93 -35.06 119.14 2 0 16.71-999 ?-999 ?-999 ? O4 PO4 C 511 mPRO.D 215 50.92 -37.17 120.85 50.24 -36.83 120.19 51.81 -39.51 121.06 51.39 -40.65 120.77 50.79 -38.47 121.52 49.36 -38.90 121.18 3 0 18.86-999 ?-999 ?-999 ? O4 PO4 C 511 mLYS.E 4 74.12 -48.37 108.26 73.88 -48.40 109.23 75.61 -47.33 106.57 75.46 -46.14 106.81 74.48 -48.33 106.81 73.26 -47.94 105.98 2 0 10.26-999 ?-999 ?-999 ? O2 PO4 D 508 mPRO.E 5 76.76 -47.83 106.09 76.72 -48.81 105.94 77.74 -45.85 104.86 77.00 -45.95 103.87 77.95 -47.01 105.82 78.94 -48.04 105.27 3 0 10.29-999 ?-999 ?-999 ? O2 PO4 D 508 mLEU~E 6 78.42 -44.75 105.17 78.97 -44.87 106.00 78.50 -43.70 102.90 77.65 -43.24 102.14 78.40 -43.49 104.42 79.57 -42.62 104.89 3 0 7.92-999 ?-999 ?-999 ? O2 PO4 D 508 mILE~E 7 79.56 -44.38 102.47 80.17 -44.70 103.20 78.62 -45.39 100.40 78.17 -45.05 99.31 79.77 -44.63 101.05 81.08 -45.43 100.82 3 0 10.11-999 ?-999 ?-999 ? O2 PO4 E 509 mASP~E 8 78.15 -46.42 101.09 78.60 -46.57 101.97 75.76 -46.45 100.49 74.81 -46.90 99.87 77.07 -47.23 100.58 76.92 -48.49 101.44 2 0 8.03-999 ?-999 ?-999 ? O2 PO4 E 509 mGLN~E 9 75.72 -45.27 101.09 76.55 -45.01 101.59 74.55 -43.59 99.75 73.56 -42.94 99.42 74.53 -44.44 101.00 74.39 -43.56 102.23 2 0 6.99-999 ?-999 ?-999 ? O2 PO4 D 508 mLEU~E 10 75.68 -43.60 99.06 76.41 -44.15 99.45 75.15 -43.62 96.68 75.46 -44.79 96.44 75.81 -42.84 97.81 77.28 -42.60 97.45 3 0 6.82-999 ?-999 ?-999 ? O2 PO4 E 509 mHIS.E 11 74.23 -42.95 95.99 74.07 -42.02 96.33 73.46 -42.42 93.78 73.27 -41.24 94.11 73.52 -43.51 94.84 72.10 -43.91 95.23 3 0 -3.59-999 ?-999 ?-999 ? O4 PO4 E 509s mHIS.E 12 73.60 -42.79 92.51 73.73 -43.77 92.36 72.27 -40.97 91.44 72.22 -39.90 90.85 73.57 -41.79 91.46 73.85 -42.43 90.08 3 0 -3.69-999 ?-999 ?-999 ? O1 PO4 E 509s mGLU.E 13 71.23 -41.47 92.10 71.39 -42.33 92.57 69.65 -39.87 93.32 68.84 -38.95 93.22 69.96 -40.75 92.10 68.80 -41.73 91.84 2 0 6.12-999 ?-999 ?-999 ? O4 PO4 E 509 mASP~E 14 70.29 -40.13 94.45 70.92 -40.90 94.40 70.84 -38.03 95.61 71.86 -37.87 96.29 70.05 -39.33 95.66 70.45 -40.12 96.91 2 0 7.74-999 ?-999 ?-999 ? O4 PO4 E 509 mSER~E 15 70.35 -37.08 94.82 69.50 -37.32 94.36 71.46 -35.10 95.94 72.55 -34.53 95.99 71.03 -35.80 94.65 70.15 -34.85 93.84 2 0 9.47-999 ?-999 ?-999 ? O1 PO4 D 508 mTRP~E 16 70.63 -35.15 96.98 69.80 -35.69 96.83 72.26 -34.89 98.88 72.95 -34.07 99.50 70.95 -34.46 98.23 69.79 -34.60 99.23 3 0 -6.22-999 ?-999 ?-999 ? O1 PO4 D 508s mARG~E 17 72.61 -36.15 98.73 71.96 -36.71 98.21 75.01 -36.04 98.49 76.07 -35.72 99.04 73.85 -36.65 99.29 73.88 -38.19 99.24 2 0 -5.56-999 ?-999 ?-999 ? O1 PO4 D 508s mLEU~E 18 74.79 -35.86 97.19 73.90 -36.17 96.87 75.93 -33.75 96.66 77.02 -33.18 96.59 75.80 -35.25 96.34 75.44 -35.48 94.87 3 0 9.18-999 ?-999 ?-999 ? O1 PO4 D 508 mPHE~E 19 74.82 -33.11 97.05 73.99 -33.66 97.09 75.61 -31.47 98.72 76.16 -30.40 98.97 74.91 -31.68 97.39 73.52 -31.02 97.40 3 0 9.13-999 ?-999 ?-999 ? O1 PO4 D 508 mARG~E 20 75.60 -32.49 99.58 75.09 -33.30 99.28 77.82 -32.33 100.54 78.58 -31.63 101.19 76.31 -32.36 100.85 75.97 -33.54 101.76 2 0 7.44-999 ?-999 ?-999 ? O1 PO4 D 508 mILE~E 21 78.24 -33.11 99.54 77.51 -33.64 99.11 80.01 -31.81 98.60 81.12 -31.31 98.83 79.64 -33.17 99.13 79.87 -34.21 98.00 3 0 10.46-999 ?-999 ?-999 ? O1 PO4 D 508 mLEU~E 22 79.08 -31.22 97.85 78.24 -31.75 97.73 79.41 -28.87 98.38 80.33 -28.06 98.39 79.29 -29.90 97.27 78.11 -29.54 96.36 3 0 12.57-999 ?-999 ?-999 ? O1 PO4 D 508 mALA~E 23 78.47 -28.91 99.31 77.78 -29.62 99.17 79.80 -28.01 101.20 80.34 -26.95 101.55 78.47 -27.99 100.43 77.32 -28.33 101.37 2 0 11.88-999 ?-999 ?-999 ? O1 PO4 D 508 mGLU~E 24 80.35 -29.19 101.45 79.82 -29.98 101.12 82.76 -28.71 101.37 83.66 -28.09 101.92 81.62 -29.28 102.18 81.91 -30.73 102.58 2 0 12.94-999 ?-999 ?-999 ? O1 PO4 D 508 mPHE~E 25 82.75 -28.92 100.05 81.98 -29.46 99.72 83.73 -26.83 99.25 84.75 -26.14 99.35 83.80 -28.35 99.20 83.63 -28.81 97.74 3 0 11.12-999 ?-999 ?-999 ? O4 PO4 F 510 mVAL~E 26 82.51 -26.30 99.19 81.77 -26.97 99.14 82.73 -24.19 100.51 83.53 -23.25 100.49 82.29 -24.85 99.21 80.80 -24.49 98.94 3 0 8.71-999 ?-999 ?-999 ? O4 PO4 D 512 mGLU~E 27 82.22 -24.67 101.64 81.60 -25.44 101.53 84.05 -24.25 103.30 84.65 -23.37 103.92 82.57 -24.08 102.92 81.64 -24.62 104.02 2 0 8.46-999 ?-999 ?-999 ? O4 PO4 D 512 mGLY~E 28 84.64 -25.37 102.89 84.05 -26.00 102.38 86.95 -24.71 102.38 87.87 -24.11 102.92 86.03 -25.61 103.19-999.99-999.99-999.99 1 0 10.04-999 ?-999 ?-999 ? O4 PO4 F 510 mPHE~E 29 86.70 -24.60 101.07 85.93 -25.15 100.73 87.36 -22.29 100.68 88.32 -21.51 100.68 87.53 -23.74 100.24 87.15 -23.85 98.76 3 0 6.30-999 ?-999 ?-999 ? O4 PO4 F 510 mGLU~E 30 86.14 -21.91 101.04 85.45 -22.63 100.99 86.60 -20.22 102.77 87.19 -19.16 102.91 85.89 -20.55 101.47 84.39 -20.30 101.64 2 0 -5.25-999 ?-999 ?-999 ? O4 PO4 D 512s mTHR~E 31 86.55 -21.14 103.73 86.05 -21.97 103.48 88.71 -20.92 104.94 89.36 -20.02 105.45 87.19 -20.92 105.01 86.75 -21.98 106.03 2 0 7.19-999 ?-999 ?-999 ? O2 PO4 D 512 mLEU~E 32 89.28 -21.94 104.30 88.65 -22.62 103.92 91.30 -20.85 103.34 92.24 -20.20 103.75 90.72 -22.00 104.19 91.15 -23.35 103.62 3 0 8.15-999 ?-999 ?-999 ? O4 PO4 F 510 mSER~E 33 90.71 -20.59 102.17 89.92 -21.17 101.96 91.33 -18.15 101.90 92.20 -17.37 101.50 91.22 -19.55 101.28 90.36 -19.44 100.01 2 0 5.00-999 ?-999 ?-999 ? O1 PO4 F 510 mGLU~E 34 90.47 -17.82 102.85 89.81 -18.53 103.10 91.48 -16.37 104.62 91.70 -15.27 105.11 90.53 -16.50 103.45 89.14 -16.00 103.83 2 0 -5.92-999 ?-999 ?-999 ? O2 PO4 D 512s mLEU.E 35 92.04 -17.48 105.08 91.75 -18.33 104.63 94.15 -16.61 105.59 94.44 -16.72 104.40 92.99 -17.41 106.17 93.44 -18.80 106.59 3 0 9.53-999 ?-999 ?-999 ? O2 PO4 D 512 mGLN.E 36 94.80 -15.79 106.42 94.49 -15.81 107.37 97.26 -15.28 106.47 98.07 -14.39 106.70 95.88 -14.94 105.93 95.59 -13.48 106.25 2 0 11.05-999 ?-999 ?-999 ? O2 PO4 F 510 mVAL.E 37 97.51 -16.57 106.69 96.74 -17.18 106.50 99.09 -18.30 106.40 98.15 -19.00 106.01 98.81 -17.02 107.18 98.76 -17.35 108.69 3 0 12.61-999 ?-999 ?-999 ? O2 PO4 F 510 mPRO.E 38 100.37 -18.61 106.13 101.06 -17.96 106.46 100.09 -20.97 106.23 100.18 -20.91 107.45 100.68 -19.84 105.39 102.21 -19.87 105.38 3 0 11.96-999 ?-999 ?-999 ? O2 PO4 F 510 mLEU^E 39 99.51 -21.98 105.60 99.52 -21.91 104.60 99.68 -24.40 106.32 99.95 -24.96 105.25 98.90 -23.08 106.34 97.48 -23.36 105.81 3 0 12.36-999 ?-999 ?-999 ? O2 PO4 F 510 mVAL^E 40 100.02 -24.91 107.50 99.75 -24.35 108.29 99.77 -27.26 108.11 99.09 -27.08 109.13 100.72 -26.18 107.60 101.96 -26.08 108.52 3 0 15.42-999 ?-999 ?-999 ? O2 PO4 F 510 mSER^E 41 99.68 -28.38 107.40 100.27 -28.41 106.59 99.56 -30.40 108.71 100.76 -30.63 108.50 98.79 -29.46 107.81 98.27 -30.23 106.59 2 0 13.95-999 ?-999 ?-999 ? O4 PO4 E 504 mVAL^E 42 98.87 -30.93 109.71 97.91 -30.65 109.74 98.57 -33.02 110.93 97.36 -32.86 111.13 99.48 -31.83 110.65 99.76 -31.12 111.98 3 0 11.27-999 ?-999 ?-999 ? O1 PO4 E 504 mPHE^E 43 99.15 -34.21 110.95 100.13 -34.21 110.77 99.16 -36.27 112.21 100.39 -36.29 112.20 98.37 -35.41 111.23 98.09 -36.18 109.94 3 0 7.49-999 ?-999 ?-999 ? O1 PO4 E 504 mGLY.E 44 98.44 -36.96 113.08 97.45 -36.84 112.99 98.04 -38.65 114.78 96.83 -38.48 114.56 99.07 -37.80 114.07-999.99-999.99-999.99 1 0 5.43-999 ?-999 ?-999 ? O1 PO4 E 504 mSER.E 45 98.49 -39.56 115.63 99.49 -39.57 115.72 96.46 -39.78 117.08 96.66 -38.76 117.75 97.59 -40.47 116.36 98.36 -41.28 117.39 2 0 -3.69-999 ?-999 ?-999 ? O2 PO4 E 504s mALA.E 46 95.26 -40.34 116.95 95.23 -41.15 116.35 94.08 -40.38 119.04 93.38 -39.90 119.91 94.10 -39.79 117.63 92.82 -40.17 116.89 2 0 -3.90-999 ?-999 ?-999 ? O2 PO4 E 504s mARG.E 47 94.89 -41.42 119.26 95.45 -41.66 118.47 96.00 -41.70 121.58 95.83 -41.97 122.78 94.94 -42.12 120.55 95.08 -43.62 120.29 2 0 5.47-999 ?-999 ?-999 ? O2 PO4 E 504 mPHE.E 48 97.08 -41.06 121.14 97.09 -40.89 120.16 97.87 -39.32 122.78 98.25 -38.24 122.31 98.14 -40.65 122.06 99.46 -40.59 121.30 3 0 7.93-999 ?-999 ?-999 ? O2 PO4 E 504 mGLY.E 49 97.22 -39.42 123.95 97.01 -40.35 124.23 98.03 -37.68 125.55 99.17 -38.14 125.41 96.88 -38.25 124.75-999.99-999.99-999.99 1 0 10.78-999 ?-999 ?-999 ? O2 PO4 E 504 mGLU.E 50 97.74 -36.69 126.38 96.78 -36.42 126.41 99.54 -37.10 128.01 98.94 -38.05 128.52 98.79 -36.06 127.18 98.22 -34.93 128.07 2 0 14.30-999 ?-999 ?-999 ? O2 PO4 E 504 mGLY.E 51 100.85 -36.92 128.10 101.19 -36.10 127.64 102.54 -38.60 127.80 103.69 -38.97 128.07 101.69 -37.86 128.81-999.99-999.99-999.99 1 0 16.03-999 ?-999 ?-999 ? O2 PO4 E 504 mHIS~E 52 101.98 -38.82 126.61 101.04 -38.47 126.53 103.70 -38.61 124.86 103.49 -37.41 124.72 102.67 -39.51 125.53 101.66 -39.99 124.49 3 0 13.37-999 ?-999 ?-999 ? O2 PO4 E 504 mPRO~E 53 104.83 -39.19 124.45 104.88 -40.17 124.62 105.42 -37.77 122.48 105.91 -36.70 122.11 105.89 -38.41 123.79 106.98 -39.45 123.56 3 0 14.63-999 ?-999 ?-999 ? O2 PO4 E 504 mALA~E 54 104.49 -38.40 121.79 104.17 -39.26 122.19 103.16 -36.60 120.80 103.18 -35.64 120.03 103.99 -37.85 120.52 103.15 -38.87 119.78 2 0 11.61-999 ?-999 ?-999 ? O1 PO4 E 504 mTYR~E 55 102.43 -36.63 121.91 102.51 -37.47 122.45 102.45 -34.31 122.64 102.19 -33.20 122.20 101.58 -35.51 122.30 100.72 -35.90 123.50 3 0 12.14-999 ?-999 ?-999 ? O2 PO4 E 504 mGLU~E 56 103.49 -34.54 123.43 103.59 -35.48 123.75 104.98 -32.88 122.50 105.01 -31.67 122.30 104.38 -33.44 123.79 105.49 -33.95 124.73 2 0 15.82-999 ?-999 ?-999 ? O2 PO4 E 504 mALA~E 57 105.45 -33.77 121.64 105.35 -34.72 121.93 105.03 -32.57 119.54 105.37 -31.56 118.93 106.04 -33.37 120.36 106.47 -34.60 119.58 2 0 15.11-999 ?-999 ?-999 ? O1 PO4 E 504 mGLY~E 58 103.78 -33.02 119.54 103.63 -33.86 120.07 102.44 -30.96 119.38 102.18 -30.01 118.65 102.76 -32.32 118.79-999.99-999.99-999.99 1 0 13.22-999 ?-999 ?-999 ? O1 PO4 E 504 mTYR~E 59 102.47 -30.86 120.71 102.69 -31.72 121.17 103.22 -28.57 121.06 102.89 -27.43 120.76 102.18 -29.61 121.41 102.22 -29.80 122.93 3 0 16.22-999 ?-999 ?-999 ? O2 PO4 E 504 mARG~E 60 104.48 -28.98 121.12 104.58 -29.93 121.39 105.67 -27.68 119.36 106.09 -26.56 119.05 105.60 -28.11 120.83 106.89 -28.81 121.22 2 0 18.69-999 ?-999 ?-999 ? O1 PO4 E 504 mLEU~E 61 105.26 -28.58 118.47 104.98 -29.46 118.87 104.25 -27.18 116.71 104.57 -26.25 115.97 105.25 -28.30 117.04 104.87 -29.55 116.25 3 0 17.13-999 ?-999 ?-999 ? O1 PO4 E 504 mGLY~E 62 103.04 -27.29 117.26 102.91 -28.10 117.84 102.41 -24.95 117.56 102.21 -23.91 116.93 102.00 -26.29 117.01-999.99-999.99-999.99 1 0 17.49-999 ?-999 ?-999 ? O1 PO4 E 504 mARG~E 63 102.99 -24.98 118.76 103.06 -25.90 119.15 104.45 -23.06 118.54 104.25 -21.90 118.19 103.46 -23.79 119.44 104.15 -24.19 120.75 2 0 20.88-999 ?-999 ?-999 ? O1 PO4 E 504 mALA~E 64 105.52 -23.75 118.17 105.54 -24.69 118.52 105.99 -22.73 115.99 106.40 -21.70 115.44 106.56 -23.18 117.33 107.68 -24.20 117.12 2 0 22.16-999 ?-999 ?-999 ? O1 PO4 E 504 mLEU~E 65 105.02 -23.50 115.47 104.79 -24.30 116.03 103.66 -21.84 114.33 103.85 -20.95 113.50 104.38 -23.19 114.20 103.37 -24.30 113.84 3 0 20.83-999 ?-999 ?-999 ? O1 PO4 E 504 mALA~E 66 102.86 -21.71 115.38 102.80 -22.52 115.96 103.08 -19.30 115.82 102.85 -18.20 115.32 102.12 -20.47 115.65 101.28 -20.63 116.90 2 0 21.53-999 ?-999 ?-999 ? O2 PO4 F 510 mGLU~E 67 104.18 -19.55 116.53 104.26 -20.49 116.87 105.94 -18.07 115.53 106.42 -16.93 115.47 105.16 -18.50 116.78 106.12 -18.94 117.89 2 0 23.91-999 ?-999 ?-999 ? O2 PO4 F 510 mALA~E 68 106.07 -18.96 114.55 105.66 -19.85 114.74 105.79 -18.00 112.31 106.14 -17.76 111.15 106.77 -18.62 113.31 107.42 -19.86 112.71 2 0 21.94-999 ?-999 ?-999 ? O2 PO4 F 510 mGLY.E 69 104.56 -17.75 112.75 104.38 -18.03 113.69 102.81 -18.02 110.94 102.22 -17.54 109.96 103.58 -17.12 111.88-999.99-999.99-999.99 1 0 19.01-999 ?-999 ?-999 ? O2 PO4 F 510 mPHE.E 70 102.81 -19.32 111.21 103.35 -19.57 112.02 100.79 -20.64 111.09 100.68 -20.52 112.30 102.08 -20.28 110.39 102.84 -21.60 110.22 3 0 16.87-999 ?-999 ?-999 ? O2 PO4 F 510 mGLY^E 71 99.82 -21.08 110.30 100.03 -21.08 109.32 98.69 -23.05 110.80 99.49 -23.56 110.01 98.58 -21.54 110.87-999.99-999.99-999.99 1 0 15.90-999 ?-999 ?-999 ? O2 PO4 F 510 mVAL^E 72 97.95 -23.78 111.62 97.36 -23.26 112.24 96.66 -25.77 111.22 95.63 -25.19 111.60 98.01 -25.23 111.58 98.42 -25.83 112.94 3 0 16.74-999 ?-999 ?-999 ? O4 PO4 E 504 mVAL^E 73 96.67 -26.86 110.47 97.58 -27.19 110.22 95.56 -29.02 110.43 96.41 -29.75 109.92 95.45 -27.53 110.05 95.23 -27.43 108.52 3 0 14.29-999 ?-999 ?-999 ? O4 PO4 E 504 mTHR^E 74 94.71 -29.46 111.34 94.08 -28.76 111.68 93.34 -31.46 111.49 92.47 -30.81 110.93 94.71 -30.84 111.80 94.89 -30.93 113.32 2 0 10.67-999 ?-999 ?-999 ? O4 PO4 E 504 mGLY.E 75 93.17 -32.73 111.88 93.96 -33.15 112.32 90.93 -33.01 112.78 89.76 -33.38 112.76 91.90 -33.40 111.68-999.99-999.99-999.99 1 0 8.41-999 ?-999 ?-999 ? O4 PO4 E 504 mGLY.E 76 91.44 -32.27 113.76 92.42 -32.07 113.68 90.18 -32.79 115.93 89.40 -32.43 116.81 90.61 -31.81 114.85-999.99-999.99-999.99 1 0 10.31-999 ?-999 ?-999 ? O4 PO4 E 504 mGLY.E 77 90.69 -34.02 115.89 91.33 -34.20 115.14 91.09 -34.90 118.21 91.70 -33.88 118.52 90.30 -34.98 116.90-999.99-999.99-999.99 1 0 8.28-999 ?-999 ?-999 ? O4 PO4 E 504 mPRO~E 78 91.08 -35.98 119.00 90.55 -36.75 118.65 93.29 -36.32 120.02 93.78 -36.23 118.89 91.82 -36.01 120.27 91.15 -37.15 121.04 3 0 8.97-999 ?-999 ?-999 ? O2 PO4 E 504 mGLY~E 79 93.97 -36.70 121.09 93.46 -36.69 121.95 96.28 -36.07 120.40 96.17 -34.87 120.68 95.36 -37.10 121.00-999.99-999.99-999.99 1 0 8.11-999 ?-999 ?-999 ? O2 PO4 E 504 mVAL~E 80 97.21 -36.54 119.58 97.17 -37.53 119.42 97.55 -34.50 118.23 98.09 -33.40 118.24 98.18 -35.67 118.97 99.10 -36.45 118.02 3 0 8.64-999 ?-999 ?-999 ? O2 PO4 E 504 mMETE 81 96.41 -34.73 117.59 96.05 -35.66 117.66 95.39 -32.55 117.84 95.55 -31.36 117.55 95.76 -33.65 116.86 94.54 -34.17 116.11 2 0 8.74-999 ?-999 ?-999 ? O4 PO4 E 504 mGLU~E 82 94.91 -32.96 119.01 94.83 -33.95 119.11 95.78 -31.22 120.45 95.75 -30.00 120.51 94.54 -32.01 120.06 94.00 -32.76 121.28 2 0 11.62-999 ?-999 ?-999 ? O4 PO4 E 504 mALA~E 83 96.86 -31.95 120.70 96.72 -32.93 120.62 98.61 -30.30 120.08 99.06 -29.23 120.48 98.13 -31.35 121.08 99.20 -32.43 121.24 2 0 13.19-999 ?-999 ?-999 ? O2 PO4 E 504 mVAL~E 84 98.52 -30.60 118.79 98.15 -31.50 118.58 98.08 -28.38 117.79 98.62 -27.26 117.86 98.96 -29.64 117.78 98.97 -30.25 116.36 3 0 13.55-999 ?-999 ?-999 ? O4 PO4 E 504 mASN~E 85 96.76 -28.55 117.73 96.46 -29.50 117.66 96.10 -26.61 119.03 96.24 -25.39 119.00 95.84 -27.41 117.76 94.36 -27.87 117.77 2 0 14.81-999 ?-999 ?-999 ? O4 PO4 E 504 mARG~E 86 96.16 -27.31 120.16 96.04 -28.30 120.04 97.65 -25.82 121.45 97.60 -24.64 121.80 96.39 -26.67 121.44 96.47 -27.74 122.54 2 0 17.03-999 ?-999 ?-999 ? O4 PO4 E 504 mGLY~E 87 98.78 -26.41 121.06 98.69 -27.37 120.80 99.99 -24.42 120.16 100.60 -23.40 120.48 100.04 -25.68 121.03-999.99-999.99-999.99 1 0 18.56-999 ?-999 ?-999 ? O4 PO4 E 504 mALA~E 88 99.25 -24.50 119.05 98.81 -25.39 118.90 98.17 -22.35 118.74 98.45 -21.15 118.76 99.13 -23.37 118.15 98.61 -23.83 116.79 2 0 19.38-999 ?-999 ?-999 ? O4 PO4 E 504 mTYR~E 89 97.04 -22.85 119.22 96.98 -23.84 119.13 96.46 -21.22 120.99 96.22 -20.02 121.07 95.99 -22.04 119.81 94.86 -22.94 120.26 3 0 20.54-999 ?-999 ?-999 ? O4 PO4 E 504 mGLU~E 90 97.14 -21.88 121.93 97.27 -22.86 121.74 98.77 -20.24 122.84 99.21 -19.51 123.74 97.64 -21.22 123.13 98.10 -22.25 124.16 2 0 22.77-999 ?-999 ?-999 ? O4 PO4 E 504 mALA.E 91 99.25 -20.20 121.61 98.84 -20.84 120.96 99.79 -18.10 120.46 100.56 -17.33 119.88 100.33 -19.27 121.29 101.45 -19.97 120.57 2 0 24.39-999 ?-999 ?-999 ? O4 PO4 E 504 mGLY.E 92 98.46 -17.98 120.41 97.95 -18.68 120.93 97.73 -17.17 118.16 97.38 -16.28 117.38 97.82 -16.92 119.66-999.99-999.99-999.99 1 0 22.53-999 ?-999 ?-999 ? O2 PO4 D 512 mGLY.E 93 98.01 -18.39 117.75 98.24 -19.06 118.46 96.66 -19.16 115.77 95.71 -19.46 116.51 97.98 -18.68 116.33-999.99-999.99-999.99 1 0 20.19-999 ?-999 ?-999 ? O2 PO4 D 512 mVAL.E 94 96.59 -19.19 114.45 97.40 -18.87 113.96 95.52 -21.19 113.94 96.60 -21.75 113.72 95.39 -19.68 113.80 95.34 -19.24 112.32 3 0 16.89-999 ?-999 ?-999 ? O2 PO4 D 512 mSER^E 95 94.42 -21.84 114.32 93.63 -21.24 114.46 93.08 -23.87 113.95 91.99 -23.69 114.49 94.37 -23.28 114.54 94.43 -23.58 116.04 2 0 18.16-999 ?-999 ?-999 ? O4 PO4 E 504 mVAL^E 96 93.24 -24.58 112.83 94.19 -24.66 112.54 91.90 -26.66 112.38 92.84 -27.44 112.49 92.12 -25.17 112.11 92.31 -24.99 110.58 3 0 16.38-999 ?-999 ?-999 ? O4 PO4 E 504 mGLY^E 97 90.64 -27.05 112.47 89.95 -26.33 112.39 89.38 -28.88 111.59 88.29 -28.32 111.47 90.34 -28.44 112.67-999.99-999.99-999.99 1 0 13.47-999 ?-999 ?-999 ? O4 PO4 E 504 mLEU^E 98 89.78 -29.87 110.79 90.71 -30.20 110.96 88.19 -31.59 110.35 88.41 -32.72 109.93 88.88 -30.38 109.75 89.66 -30.79 108.49 3 0 12.63-999 ?-999 ?-999 ? O4 PO4 E 504 mASN^E 99 87.36 -31.33 111.35 87.28 -30.35 111.56 85.83 -33.30 111.16 85.07 -32.85 110.30 86.63 -32.37 112.07 85.71 -31.72 113.11 2 0 11.72-999 ?-999 ?-999 ? O4 PO4 E 504 mILE^E 100 86.01 -34.60 111.36 86.65 -34.84 112.08 84.13 -36.18 111.34 84.29 -36.57 112.50 85.29 -35.58 110.54 86.26 -36.70 110.04 3 0 10.82-999 ?-999 ?-999 ? O4 PO4 E 504 mGLU.E 101 82.95 -36.24 110.72 82.97 -35.88 109.79 81.68 -38.30 111.30 80.61 -38.88 111.12 81.75 -36.78 111.36 80.49 -36.18 110.71 2 0 12.20-999 ?-999 ?-999 ? O2 PO4 D 508 mPRO.E 108 85.69 -33.11 119.19 85.15 -33.85 119.59 87.18 -31.21 119.70 86.50 -30.56 120.50 86.49 -32.03 118.61 85.44 -31.20 117.85 3 0 13.17-999 ?-999 ?-999 ? O4 PO4 E 504 mASN.E 109 88.51 -31.23 119.73 88.94 -31.78 119.01 88.83 -29.01 120.83 88.45 -28.40 119.83 89.26 -30.49 120.75 90.77 -30.60 120.51 2 0 14.08-999 ?-999 ?-999 ? O4 PO4 E 504 mPRO.E 110 88.90 -28.43 122.04 89.23 -29.05 122.75 89.53 -26.00 121.80 89.35 -24.81 122.04 88.53 -27.04 122.30 88.43 -26.98 123.83 3 0 17.85-999 ?-999 ?-999 ? O4 PO4 E 504 mTYR.E 111 90.58 -26.44 121.11 90.60 -27.43 120.95 91.58 -25.19 119.16 92.64 -25.21 118.51 91.58 -25.50 120.66 92.96 -26.00 121.07 3 0 17.72-999 ?-999 ?-999 ? O4 PO4 E 504 mGLN.E 112 90.40 -24.91 118.61 89.63 -24.91 119.25 89.71 -23.23 116.94 88.56 -22.97 117.27 90.28 -24.61 117.19 89.38 -25.65 116.51 2 0 17.64-999 ?-999 ?-999 ? O4 PO4 E 504 mTHR.E 113 90.51 -22.35 116.36 91.43 -22.69 116.16 89.06 -21.08 114.89 88.23 -20.19 114.71 90.06 -21.00 116.04 91.25 -20.07 115.66 2 0 16.79-999 ?-999 ?-999 ? O2 PO4 D 512 mHIS^E 114 89.14 -22.16 114.11 89.87 -22.78 114.38 87.90 -23.89 112.98 88.81 -24.73 112.96 88.24 -22.39 112.97 88.93 -22.03 111.65 3 0 14.24-999 ?-999 ?-999 ? O2 PO4 D 512 mALA^E 115 86.61 -24.22 112.99 85.99 -23.45 112.97 85.26 -26.03 111.87 84.18 -25.47 111.72 86.19 -25.63 113.02 85.52 -25.94 114.35 2 0 15.89-999 ?-999 ?-999 ? O2 PO4 D 512 mLEU^E 116 85.69 -27.00 111.07 86.60 -27.36 111.31 84.28 -28.83 110.29 84.90 -29.65 110.97 84.90 -27.48 109.94 85.77 -27.62 108.69 3 0 15.14-999 ?-999 ?-999 ? O2 PO4 D 512 mSER^E 117 83.06 -29.06 109.82 82.66 -28.30 109.32 82.20 -31.02 108.71 81.48 -30.52 107.84 82.37 -30.33 110.06 81.00 -30.11 110.70 2 0 14.21-999 ?-999 ?-999 ? O1 PO4 D 508 mLEU^E 118 82.87 -32.15 108.53 83.41 -32.44 109.32 82.36 -34.33 107.48 82.64 -34.93 108.51 82.80 -32.89 107.27 84.17 -32.88 106.59 3 0 12.58-999 ?-999 ?-999 ? O2 PO4 D 508 mARG.E 119 81.67 -34.89 106.50 81.48 -34.29 105.72 82.11 -37.08 105.62 82.45 -38.23 105.87 81.25 -36.28 106.59 79.79 -36.45 106.18 2 0 9.79-999 ?-999 ?-999 ? O2 PO4 D 508 mTYR~E 120 82.46 -36.45 104.51 82.16 -35.50 104.44 84.74 -36.98 103.63 85.29 -35.88 103.52 83.24 -37.14 103.50 82.77 -36.72 102.12 3 0 11.29-999 ?-999 ?-999 ? O2 PO4 D 508 mPHE~E 121 85.40 -38.11 103.86 84.81 -38.92 103.91 87.59 -37.60 102.81 88.52 -36.82 102.99 86.84 -38.17 104.01 87.26 -39.63 104.27 3 0 12.11-999 ?-999 ?-999 ? O4 PO4 E 504 mPHE~E 122 87.18 -37.94 101.59 86.39 -38.56 101.58 87.83 -35.92 100.28 88.73 -35.32 99.68 87.86 -37.44 100.40 87.32 -38.10 99.12 3 0 14.75-999 ?-999 ?-999 ? O4 PO4 E 504 mVAL~E 123 86.81 -35.28 100.85 86.13 -35.85 101.30 87.81 -33.28 101.72 88.60 -32.40 101.35 86.74 -33.83 100.79 85.37 -33.31 101.23 3 0 14.66-999 ?-999 ?-999 ? O4 PO4 F 510 mARG~E 124 87.84 -33.82 102.94 87.15 -34.52 103.10 90.23 -33.57 103.38 91.11 -32.76 103.62 88.82 -33.40 103.94 88.69 -34.25 105.20 2 0 13.30-999 ?-999 ?-999 ? O4 PO4 E 504 mLYS~E 125 90.43 -34.65 102.63 89.64 -35.24 102.51 92.13 -33.83 101.04 93.31 -33.51 100.90 91.74 -34.89 102.06 91.77 -36.28 101.41 2 0 13.11-999 ?-999 ?-999 ? O4 PO4 E 504 mVAL~E 126 91.16 -33.27 100.32 90.24 -33.62 100.51 91.86 -30.97 100.11 92.85 -30.31 99.80 91.49 -32.24 99.35 90.30 -31.93 98.41 3 0 12.00-999 ?-999 ?-999 ? O4 PO4 F 510 mLEU~E 127 91.06 -30.64 101.12 90.30 -31.28 101.24 92.59 -29.50 102.73 93.20 -28.45 102.98 91.26 -29.46 101.97 90.11 -29.34 102.96 3 0 10.53-999 ?-999 ?-999 ? O4 PO4 F 510 mPHE~E 128 93.03 -30.70 103.10 92.42 -31.45 102.86 95.50 -30.43 102.94 96.53 -29.98 103.46 94.31 -30.87 103.80 94.51 -32.34 104.17 3 0 13.11-999 ?-999 ?-999 ? O4 PO4 F 510 mVAL~E 129 95.36 -30.57 101.63 94.49 -30.94 101.31 96.28 -28.95 99.88 97.26 -28.32 99.49 96.47 -30.19 100.76 96.90 -31.38 99.87 3 0 11.80-999 ?-999 ?-999 ? O4 PO4 F 510 mARG~E 130 95.04 -28.59 99.58 94.32 -29.15 100.00 95.60 -26.17 98.99 96.07 -25.53 98.05 94.79 -27.44 98.72 93.30 -27.09 98.71 2 0 -8.06-999 ?-999 ?-999 ? O4 PO4 F 510s mTYR~E 131 95.76 -25.79 100.26 95.33 -26.39 100.93 97.75 -24.90 101.46 98.34 -24.00 102.08 96.53 -24.59 100.61 95.64 -23.59 101.36 3 0 -7.78-999 ?-999 ?-999 ? O2 PO4 F 510s mALA^E 132 98.15 -26.17 101.47 97.61 -26.77 100.89 100.63 -26.03 101.80 100.94 -26.01 100.60 99.30 -26.61 102.26 99.37 -28.11 102.25 2 0 11.41-999 ?-999 ?-999 ? O2 PO4 F 510 mVAL^E 133 101.42 -25.57 102.76 101.02 -25.65 103.68 103.71 -26.02 103.06 104.89 -26.00 102.77 102.72 -25.00 102.50 102.85 -23.64 103.22 3 0 12.88-999 ?-999 ?-999 ? O2 PO4 F 510 mGLY^E 134 103.18 -26.93 103.86 102.19 -26.84 104.01 103.05 -29.00 105.08 101.86 -28.74 105.28 103.98 -27.98 104.46-999.99-999.99-999.99 1 0 16.24-999 ?-999 ?-999 ? O2 PO4 F 510 mPHE^E 135 103.59 -30.18 105.37 104.56 -30.27 105.14 103.70 -32.03 106.96 104.77 -32.53 106.58 102.81 -31.24 105.99 102.21 -32.15 104.90 3 0 14.73-999 ?-999 ?-999 ? O1 PO4 E 504 mVAL^E 136 103.27 -32.13 108.21 102.39 -31.69 108.38 103.28 -34.03 109.77 102.11 -33.92 110.11 104.04 -32.83 109.23 104.36 -31.91 110.42 3 0 12.89-999 ?-999 ?-999 ? O1 PO4 E 504 mPHE^E 137 103.95 -35.17 109.86 104.90 -35.13 109.54 104.01 -36.81 111.65 105.23 -37.00 111.68 103.31 -36.35 110.39 103.31 -37.49 109.36 3 0 9.65-999 ?-999 ?-999 ? O1 PO4 E 504 mLEU.E 138 103.23 -36.97 112.72 102.27 -36.75 112.56 103.32 -38.90 114.15 102.47 -39.38 113.41 103.76 -37.44 113.99 103.22 -36.56 115.13 3 0 9.00-999 ?-999 ?-999 ? O1 PO4 E 504 mPRO.E 139 103.91 -39.64 115.11 104.61 -39.15 115.64 102.03 -41.26 115.35 101.30 -40.51 116.00 103.55 -41.04 115.34 104.17 -41.33 116.70 3 0 7.72-999 ?-999 ?-999 ? O1 PO4 E 504 mGLY.E 140 101.57 -42.29 114.64 102.26 -42.83 114.17 99.77 -43.96 114.10 100.62 -44.86 114.07 100.14 -42.56 114.57-999.99-999.99-999.99 1 0 4.14-999 ?-999 ?-999 ? O1 PO4 E 504 mGLY~E 141 98.50 -44.14 113.73 97.93 -43.32 113.78 97.56 -45.45 111.83 98.22 -44.87 110.97 98.02 -45.43 113.28-999.99-999.99-999.99 1 0 -3.55-999 ?-999 ?-999 ? O1 PO4 E 504s mPHE~E 142 96.44 -46.12 111.54 96.00 -46.54 112.34 95.64 -44.84 109.54 96.06 -44.57 108.40 95.93 -46.21 110.17 94.65 -47.06 110.12 3 0 -4.07-999 ?-999 ?-999 ? O3 PO4 E 504s mGLY~E 143 94.93 -43.98 110.28 94.65 -44.32 111.18 95.82 -41.90 109.33 95.81 -41.24 108.29 94.59 -42.67 109.77-999.99-999.99-999.99 1 0 -3.46-999 ?-999 ?-999 ? O3 PO4 E 504s mTHR~E 144 96.88 -41.99 110.13 96.74 -42.57 110.93 98.87 -41.91 108.60 99.46 -41.17 107.81 98.13 -41.30 109.82 99.08 -41.30 111.05 2 0 -3.94-999 ?-999 ?-999 ? O1 PO4 E 504s mLEU~E 145 98.84 -43.24 108.47 98.33 -43.70 109.20 98.72 -43.61 106.09 99.31 -43.37 105.02 99.50 -43.94 107.37 99.45 -45.44 107.61 3 0 6.79-999 ?-999 ?-999 ? O1 PO4 E 504 mASP~E 146 97.40 -43.58 106.24 97.10 -43.80 107.17 96.69 -41.90 104.58 96.70 -41.73 103.37 96.46 -43.28 105.16 95.03 -43.39 105.70 2 0 8.01-999 ?-999 ?-999 ? O1 PO4 E 504 mGLU~E 147 96.87 -40.90 105.43 96.85 -41.17 106.40 98.48 -39.31 104.39 98.63 -38.69 103.33 97.09 -39.53 104.98 96.88 -38.56 106.14 2 0 8.65-999 ?-999 ?-999 ? O1 PO4 E 504 mLEU~E 148 99.49 -39.81 105.08 99.23 -40.27 105.93 101.03 -40.31 103.22 101.50 -39.65 102.29 100.87 -39.69 104.61 101.83 -40.40 105.58 3 0 10.03-999 ?-999 ?-999 ? O1 PO4 E 504 mSER~E 149 100.64 -41.58 103.08 100.26 -41.99 103.90 100.00 -41.57 100.68 100.38 -41.63 99.52 100.78 -42.26 101.81 100.34 -43.73 101.94 2 0 10.24-999 ?-999 ?-999 ? O1 PO4 F 502 mGLU~E 150 98.90 -40.89 101.02 98.66 -40.89 101.99 98.92 -38.94 99.54 98.98 -38.61 98.36 98.17 -40.19 99.96 96.77 -39.79 100.40 2 0 10.68-999 ?-999 ?-999 ? O1 PO4 F 502 mVAL~E 151 99.46 -38.23 100.52 99.30 -38.58 101.44 101.39 -37.40 99.30 101.61 -36.73 98.30 100.22 -37.03 100.22 100.75 -36.38 101.51 3 0 12.36-999 ?-999 ?-999 ? O1 PO4 F 502 mLEU~E 152 102.11 -38.46 99.63 101.82 -38.93 100.47 102.82 -39.24 97.38 103.53 -38.96 96.43 103.25 -38.89 98.80 103.97 -40.10 99.42 3 0 9.76-999 ?-999 ?-999 ? O1 PO4 F 502 mVAL~E 153 101.65 -39.88 97.23 101.15 -40.08 98.07 100.92 -38.96 95.10 101.29 -38.84 93.92 101.19 -40.22 95.89 99.90 -41.09 95.93 3 0 7.22-999 ?-999 ?-999 ? O1 PO4 F 502 mLEU~E 154 100.25 -38.01 95.75 100.01 -38.26 96.70 101.13 -35.92 94.80 101.18 -35.26 93.76 99.89 -36.74 95.15 98.98 -35.93 96.08 3 0 10.48-999 ?-999 ?-999 ? O1 PO4 F 502 mLEU~E 155 102.15 -35.97 95.66 102.00 -36.54 96.47 104.17 -35.91 94.29 104.73 -35.26 93.40 103.37 -35.22 95.38 104.21 -35.08 96.64 3 0 11.60-999 ?-999 ?-999 ? O1 PO4 F 502 mGLN~E 156 104.19 -37.24 94.34 103.68 -37.63 95.10 104.33 -37.89 91.98 105.06 -37.63 91.02 104.91 -38.04 93.38 104.86 -39.51 93.79 2 0 8.74-999 ?-999 ?-999 ? O1 PO4 F 502 mTHR~E 157 103.02 -38.04 91.85 102.52 -38.25 92.69 102.03 -36.44 90.20 101.41 -36.17 89.17 102.40 -37.89 90.53 101.16 -38.76 90.40 2 0 8.90-999 ?-999 ?-999 ? O1 PO4 F 502 mGLU.E 158 102.40 -35.52 91.07 102.88 -35.88 91.87 100.67 -33.67 90.71 100.32 -32.92 89.81 102.13 -34.10 90.86 102.93 -33.62 89.65 2 0 12.56-999 ?-999 ?-999 ? O1 PO4 F 502 mLYS.E 159 99.81 -34.15 91.60 100.20 -34.77 92.28 98.14 -32.51 92.41 97.03 -31.98 92.43 98.40 -33.76 91.56 97.53 -34.94 92.00 2 0 13.53-999 ?-999 ?-999 ? O1 PO4 F 502 mVAL.E 160 99.18 -32.03 93.08 100.01 -32.58 93.00 100.47 -30.11 93.78 101.48 -30.76 93.50 99.12 -30.80 93.88 98.88 -31.05 95.39 3 0 13.04-999 ?-999 ?-999 ? O4 PO4 F 510 mHIS.E 161 100.49 -28.81 94.02 99.59 -28.40 94.20 102.62 -28.75 95.03 102.11 -29.36 95.98 101.74 -28.06 94.01 101.51 -26.65 94.50 3 0 12.50-999 ?-999 ?-999 ? O2 PO4 F 510 mARG.E 162 103.93 -28.65 94.85 104.19 -28.11 94.04 104.93 -28.56 97.10 104.74 -27.34 97.18 104.88 -29.27 95.75 106.27 -29.25 95.11 2 0 15.44-999 ?-999 ?-999 ? O2 PO4 F 510 mPHE.E 163 105.16 -29.32 98.16 105.25 -30.29 97.97 106.07 -29.72 100.33 106.00 -30.92 100.11 105.28 -28.75 99.50 103.90 -28.44 100.11 3 0 15.78-999 ?-999 ?-999 ? O2 PO4 F 510 mPRO.E 164 106.87 -29.22 101.29 106.87 -28.22 101.36 106.82 -31.05 102.99 105.72 -30.68 103.41 107.67 -30.12 102.14 108.48 -29.16 103.03 3 0 19.12-999 ?-999 ?-999 ? O2 PO4 F 510 mVAL^E 165 107.35 -32.24 103.25 108.24 -32.38 102.80 107.75 -33.66 105.16 108.88 -34.02 104.82 106.72 -33.23 104.10 106.29 -34.48 103.31 3 0 16.54-999 ?-999 ?-999 ? O1 PO4 E 504 mPHE^E 166 107.36 -33.62 106.43 106.42 -33.30 106.56 107.62 -35.11 108.39 106.43 -35.06 108.71 108.24 -34.01 107.53 108.55 -32.82 108.46 3 0 15.62-999 ?-999 ?-999 ? O1 PO4 E 504 mLEU^E 167 108.44 -36.09 108.78 109.36 -36.03 108.41 108.71 -36.94 111.01 109.92 -36.69 111.04 107.99 -37.15 109.68 108.34 -38.53 109.13 3 0 13.27-999 ?-999 ?-999 ? O1 PO4 E 504 mLEU^E 168 107.98 -37.00 112.11 107.01 -37.19 111.97 108.66 -38.05 114.26 107.64 -38.73 114.42 108.61 -36.79 113.41 107.89 -35.68 114.19 3 0 13.54-999 ?-999 ?-999 ? O1 PO4 E 504 mASP.E 169 109.85 -38.32 114.79 110.55 -37.65 114.53 110.79 -40.60 114.86 110.11 -41.52 114.41 110.15 -39.47 115.66 108.89 -39.96 116.37 2 0 14.40-999 ?-999 ?-999 ? O1 PO4 E 504 mARG.E 170 112.11 -40.50 114.71 112.51 -39.70 115.15 112.63 -42.92 114.36 112.45 -43.80 113.51 112.89 -41.48 113.96 114.39 -41.19 114.11 2 0 16.67-999 ?-999 ?-999 ? O1 PO4 E 504 mGLY.E 171 112.61 -43.17 115.66 112.75 -42.37 116.25 111.05 -45.12 115.82 110.96 -46.32 115.61 112.39 -44.51 116.16-999.99-999.99-999.99 1 0 16.55-999 ?-999 ?-999 ? O1 PO4 E 504 mTYR.E 172 110.00 -44.31 115.78 110.21 -43.35 115.96 108.43 -45.12 114.00 107.81 -46.13 113.68 108.66 -44.81 115.49 107.62 -43.79 115.94 3 0 12.85-999 ?-999 ?-999 ? O1 PO4 E 504 mTRP~E 173 108.91 -44.25 113.12 109.39 -43.48 113.54 109.80 -45.33 111.05 109.83 -45.49 109.82 108.74 -44.42 111.67 108.83 -43.07 110.95 3 0 12.73-999 ?-999 ?-999 ? O1 PO4 E 504 mGLU~E 174 110.66 -45.91 111.88 110.50 -45.73 112.85 111.32 -47.91 110.47 111.93 -48.14 109.43 111.73 -46.74 111.36 112.60 -47.26 112.50 2 0 16.17-999 ?-999 ?-999 ? O1 PO4 E 504 mGLY~E 175 110.29 -48.65 110.89 109.88 -48.35 111.75 109.27 -49.40 108.76 109.55 -50.06 107.75 109.83 -49.78 110.11-999.99-999.99-999.99 1 0 15.76-999 ?-999 ?-999 ? O1 PO4 E 504 mLEU~E 176 108.48 -48.33 108.73 108.34 -47.90 109.62 108.93 -47.35 106.50 108.88 -47.67 105.32 107.88 -47.86 107.49 106.89 -46.73 107.77 3 0 14.03-999 ?-999 ?-999 ? O1 PO4 E 504 mVAL~E 177 109.87 -46.56 107.00 109.80 -46.40 107.99 111.81 -47.04 105.55 112.00 -47.08 104.33 110.90 -45.98 106.16 111.72 -44.94 106.96 3 0 15.70-999 ?-999 ?-999 ? O1 PO4 F 502 mARG~E 178 112.38 -47.90 106.39 112.17 -47.73 107.36 112.55 -49.76 104.79 113.21 -50.18 103.83 113.24 -48.98 105.93 113.54 -49.94 107.08 2 0 16.83-999 ?-999 ?-999 ? O2 PO4 F 502 mTRP~E 179 111.24 -49.95 104.93 110.85 -49.55 105.75 110.29 -49.90 102.64 110.28 -50.49 101.55 110.46 -50.69 103.94 109.07 -51.04 104.50 3 0 13.66-999 ?-999 ?-999 ? O2 PO4 F 502 mLEU~E 180 110.16 -48.58 102.76 110.14 -48.23 103.69 111.38 -47.86 100.82 111.43 -47.78 99.60 110.04 -47.75 101.56 109.74 -46.29 101.94 3 0 11.49-999 ?-999 ?-999 ? O1 PO4 F 502 mALA~E 181 112.46 -48.06 101.57 112.29 -48.08 102.56 113.73 -49.55 100.22 114.31 -49.69 99.15 113.77 -48.22 100.97 114.86 -48.24 102.04 2 0 13.82-999 ?-999 ?-999 ? O1 PO4 F 502 mPHE~E 182 113.04 -50.53 100.81 112.65 -50.29 101.70 112.19 -51.57 98.84 112.65 -52.01 97.78 112.90 -51.83 100.17 112.05 -52.76 101.04 3 0 13.12-999 ?-999 ?-999 ? O2 PO4 F 502 mLEU~E 183 111.09 -50.82 98.90 110.84 -50.50 99.81 111.23 -49.89 96.62 111.22 -50.32 95.47 110.34 -50.51 97.69 109.17 -49.57 97.98 3 0 9.45-999 ?-999 ?-999 ? O2 PO4 F 502 mARG~E 184 112.01 -48.88 96.99 111.95 -48.62 97.95 113.83 -49.23 95.40 114.04 -49.23 94.19 112.88 -48.22 96.01 113.68 -47.09 96.66 2 0 10.72-999 ?-999 ?-999 ? O1 PO4 F 502 mASP~E 185 114.40 -50.10 96.24 114.14 -50.00 97.20 114.59 -52.05 94.81 115.12 -52.48 93.79 115.33 -51.10 95.75 115.96 -51.88 96.90 2 0 13.53-999 ?-999 ?-999 ? O3 PO4 F 502 mGLN~E 186 113.35 -52.37 95.16 113.04 -51.97 96.03 112.18 -52.46 93.07 111.73 -53.03 92.08 112.53 -53.23 94.32 111.26 -53.61 95.06 2 0 11.27-999 ?-999 ?-999 ? O3 PO4 F 502 mLYS~E 187 112.42 -51.15 93.11 112.81 -50.85 93.98 110.65 -50.04 91.77 110.22 -49.83 90.64 112.14 -50.26 92.00 112.79 -50.76 90.71 2 0 9.43-999 ?-999 ?-999 ? O3 PO4 F 502 mALA.E 188 109.85 -50.10 92.82 110.31 -50.32 93.68 108.21 -48.37 92.89 107.10 -47.84 92.78 108.41 -49.86 92.69 107.64 -50.63 93.76 2 0 5.91-999 ?-999 ?-999 ? O3 PO4 F 502 mVAL.E 189 109.32 -47.69 93.17 110.14 -48.26 93.19 110.57 -45.64 92.78 111.63 -46.27 92.68 109.33 -46.26 93.43 109.34 -46.02 94.95 3 0 6.56-999 ?-999 ?-999 ? O1 PO4 F 502 mGLY.E 190 110.41 -44.40 92.34 109.51 -44.00 92.50 112.68 -43.42 92.59 112.55 -43.46 93.82 111.49 -43.69 91.69-999.99-999.99-999.99 1 0 9.17-999 ?-999 ?-999 ? O1 PO4 F 502 mPRO.E 191 113.85 -43.12 91.99 113.78 -43.12 91.00 114.96 -41.82 93.83 115.26 -42.13 94.98 115.11 -42.83 92.69 116.01 -42.31 91.57 3 0 12.82-999 ?-999 ?-999 ? O1 PO4 F 502 mGLU.E 192 114.49 -40.62 93.51 114.26 -40.49 92.55 112.93 -39.39 95.09 112.61 -38.29 95.54 114.34 -39.60 94.54 114.92 -38.27 94.05 2 0 13.55-999 ?-999 ?-999 ? O1 PO4 F 502 mASP~E 193 112.11 -40.44 95.07 112.51 -41.27 94.66 110.77 -40.40 97.12 109.90 -39.84 97.79 110.75 -40.35 95.59 109.89 -41.47 95.04 2 0 10.44-999 ?-999 ?-999 ? O1 PO4 F 502 mLEU~E 194 111.78 -41.07 97.67 112.40 -41.50 97.02 112.30 -39.77 99.65 112.12 -39.48 100.83 111.91 -41.15 99.12 113.00 -42.15 99.48 3 0 12.34-999 ?-999 ?-999 ? O1 PO4 F 502 mGLN~E 195 112.83 -38.93 98.76 112.89 -39.32 97.84 112.10 -36.62 99.27 112.27 -35.45 99.62 113.27 -37.58 99.10 114.20 -37.05 98.00 2 0 15.15-999 ?-999 ?-999 ? O1 PO4 F 502 mLEU.E 196 110.90 -37.12 99.00 110.90 -38.08 98.72 109.44 -35.91 100.58 108.71 -34.96 100.85 109.70 -36.31 99.11 108.52 -37.09 98.54 3 0 13.86-999 ?-999 ?-999 ? O1 PO4 F 502 mPHE^E 197 110.06 -36.63 101.51 110.63 -37.36 101.15 111.22 -36.45 103.68 112.18 -37.06 103.20 109.89 -36.34 102.94 108.93 -37.35 103.55 3 0 16.05-999 ?-999 ?-999 ? O1 PO4 F 502 mARG^E 198 111.27 -35.86 104.88 110.43 -35.39 105.14 112.05 -36.39 107.10 111.10 -35.87 107.68 112.46 -35.93 105.71 113.14 -34.57 105.80 2 0 18.93-999 ?-999 ?-999 ? O1 PO4 E 504 mLEU^E 199 112.77 -37.39 107.61 113.49 -37.71 107.00 113.28 -37.12 109.96 114.44 -36.78 109.74 112.52 -37.97 108.93 113.05 -39.40 108.99 3 0 17.35-999 ?-999 ?-999 ? O1 PO4 E 504 mTHR^E 200 112.64 -36.79 111.07 111.71 -37.15 111.15 112.83 -36.28 113.49 111.90 -37.05 113.69 113.29 -35.96 112.07 113.02 -34.46 111.79 2 0 18.21-999 ?-999 ?-999 ? O1 PO4 E 504 mASP.E 201 113.52 -35.67 114.46 114.26 -35.09 114.13 112.84 -34.49 116.48 112.07 -34.42 117.43 113.20 -35.83 115.88 114.40 -36.39 116.65 2 0 18.36-999 ?-999 ?-999 ? O1 PO4 E 504 mGLU~E 202 113.38 -33.41 115.92 113.95 -33.59 115.12 112.10 -31.24 115.75 112.30 -30.85 114.61 113.13 -32.09 116.48 114.44 -31.30 116.58 2 0 20.03-999 ?-999 ?-999 ? O1 PO4 E 504 mPRO~E 203 110.98 -30.95 116.42 110.95 -31.34 117.34 110.38 -28.74 115.48 109.92 -28.16 114.50 109.89 -30.14 115.86 108.89 -30.08 117.01 3 0 18.50-999 ?-999 ?-999 ? O1 PO4 E 504 mGLU~E 204 111.32 -28.21 116.26 111.61 -28.78 117.03 112.56 -26.79 114.64 112.52 -25.73 114.00 111.85 -26.88 115.98 112.79 -26.41 117.10 2 0 22.14-999 ?-999 ?-999 ? O1 PO4 E 504 mGLU~E 205 113.20 -27.86 114.19 113.18 -28.67 114.79 112.84 -27.90 111.79 113.04 -27.35 110.70 113.87 -27.81 112.90 114.91 -28.92 112.75 2 0 22.84-999 ?-999 ?-999 ? O1 PO4 E 504 mVAL~E 206 111.75 -28.60 112.05 111.72 -29.03 112.96 110.25 -27.29 110.72 110.22 -26.89 109.55 110.69 -28.72 111.06 109.49 -29.53 111.61 3 0 19.95-999 ?-999 ?-999 ? O1 PO4 E 504 mVAL~E 207 109.94 -26.53 111.76 110.02 -26.99 112.65 110.61 -24.31 110.95 110.33 -23.50 110.06 109.52 -25.15 111.61 109.17 -24.52 112.97 3 0 21.77-999 ?-999 ?-999 ? O1 PO4 E 504 mGLN~E 208 111.86 -24.51 111.37 111.96 -25.19 112.10 113.04 -24.00 109.29 113.15 -23.05 108.51 112.97 -23.75 110.80 114.30 -24.15 111.45 2 0 25.07-999 ?-999 ?-999 ? O2 PO4 F 510 mALA~E 209 113.00 -25.27 108.90 112.91 -25.92 109.65 111.87 -25.10 106.70 112.00 -24.75 105.54 113.06 -25.65 107.48 113.11 -27.18 107.36 2 0 23.80-999 ?-999 ?-999 ? O2 PO4 F 510 mLEU~E 210 110.71 -25.00 107.35 110.73 -25.32 108.29 109.72 -22.98 106.42 109.38 -22.48 105.35 109.53 -24.48 106.67 108.28 -24.72 107.52 3 0 20.18-999 ?-999 ?-999 ? O2 PO4 F 510 mLYS~E 211 110.26 -22.27 107.40 110.49 -22.79 108.23 111.47 -20.64 106.10 111.31 -19.71 105.31 110.49 -20.84 107.24 111.06 -20.23 108.53 2 0 20.65-999 ?-999 ?-999 ? O2 PO4 F 510 mALA~E 212 112.47 -21.51 106.02 112.46 -22.22 106.72 112.88 -21.59 103.60 113.36 -21.01 102.62 113.49 -21.41 104.98 114.58 -22.45 105.22 2 0 22.28-999 ?-999 ?-999 ? O2 PO4 F 510 mGLU~E 213 111.83 -22.39 103.51 111.56 -22.80 104.39 109.81 -21.87 102.25 108.74 -22.47 102.36 111.14 -22.64 102.25 110.83 -24.13 102.12 2 0 19.29-999 ?-999 ?-999 ? O2 PO4 F 510 mALA.E 214 109.86 -20.54 102.11 110.78 -20.15 102.00 108.57 -18.39 101.50 107.57 -18.03 100.89 108.62 -19.78 102.14 108.14 -19.68 103.59 2 0 16.59-999 ?-999 ?-999 ? O2 PO4 F 510 mPRO.E 215 109.65 -17.59 101.65 110.40 -17.99 102.18 109.33 -16.14 99.58 109.66 -15.09 98.98 109.68 -16.24 101.08 111.11 -15.78 101.37 3 0 17.49-999 ?-999 ?-999 ? O2 PO4 F 510 mPRO.F 2 101.80 -22.69 82.96 102.41 -22.09 83.47 99.77 -24.13 83.08 99.39 -23.51 84.07 100.89 -23.59 82.20 101.75 -24.72 81.67 3 0 15.88-999 ?-999 ?-999 ? O3 PO4 F 510 mLYS.F 3 99.25 -25.30 82.71 99.65 -25.69 81.89 98.75 -26.41 84.82 99.83 -27.01 84.86 98.17 -25.92 83.49 97.54 -27.07 82.69 2 0 14.33-999 ?-999 ?-999 ? O3 PO4 F 510 mLYS.F 4 98.01 -26.15 85.89 97.15 -25.68 85.69 98.05 -27.94 87.63 97.33 -28.63 86.91 98.44 -26.52 87.23 97.84 -25.54 88.24 2 0 12.28-999 ?-999 ?-999 ? O3 PO4 F 510 mPRO.F 5 98.55 -28.41 88.78 99.16 -27.80 89.29 96.64 -29.75 89.35 96.04 -28.70 89.61 98.17 -29.76 89.19 98.89 -29.92 90.52 3 0 13.39-999 ?-999 ?-999 ? O4 PO4 F 510 mLEU~F 6 96.02 -30.91 89.18 96.63 -31.68 88.98 93.93 -30.29 90.46 93.10 -29.41 90.27 94.57 -31.04 89.28 94.18 -32.51 89.33 3 0 12.88-999 ?-999 ?-999 ? O4 PO4 F 510 mILE~F 7 94.31 -30.66 91.68 95.00 -31.39 91.68 93.89 -28.52 92.92 92.95 -27.83 93.33 93.78 -30.05 92.90 94.50 -30.66 94.14 3 0 10.25-999 ?-999 ?-999 ? O4 PO4 F 510 mASP~F 8 95.02 -27.99 92.47 95.70 -28.67 92.18 94.39 -25.82 91.37 94.32 -24.60 91.39 95.25 -26.55 92.41 96.73 -26.27 92.13 2 0 8.05-999 ?-999 ?-999 ? O4 PO4 F 510 mGLN~F 9 93.77 -26.55 90.45 93.93 -27.53 90.50 91.57 -25.58 90.08 90.70 -24.99 89.45 92.92 -25.90 89.45 92.73 -26.79 88.22 2 0 8.38-999 ?-999 ?-999 ? O3 PO4 F 510 mLEU~F 10 91.38 -26.00 91.34 92.15 -26.51 91.73 90.37 -24.43 92.84 91.37 -24.33 93.54 90.14 -25.71 92.05 89.79 -26.84 93.02 3 0 6.60-999 ?-999 ?-999 ? O4 PO4 F 510 mHIS.F 11 89.47 -23.47 92.71 88.73 -23.70 92.08 88.19 -21.91 94.06 87.16 -22.15 93.42 89.56 -22.18 93.42 89.88 -21.03 92.45 3 0 -3.55-999 ?-999 ?-999 ? O4 PO4 F 510s mHIS.F 12 88.17 -21.40 95.29 89.06 -21.21 95.68 85.93 -20.27 95.16 84.72 -20.32 95.35 86.89 -21.15 95.96 87.12 -20.57 97.38 3 0 4.38-999 ?-999 ?-999 ? O4 PO4 F 510s mGLU.F 13 86.48 -19.49 94.23 87.48 -19.56 94.19 84.92 -19.41 92.33 83.76 -19.15 92.04 85.68 -18.60 93.38 86.60 -17.65 92.61 2 0 5.98-999 ?-999 ?-999 ? O3 PO4 F 510 mASP.F 14 85.62 -20.39 91.76 86.54 -20.50 92.12 84.20 -22.36 91.20 84.55 -23.52 91.05 85.07 -21.22 90.70 86.24 -21.75 89.86 2 0 7.69-999 ?-999 ?-999 ? O3 PO4 F 510 mSER~F 15 83.06 -22.02 91.77 82.88 -21.03 91.79 81.50 -23.95 91.31 81.35 -25.14 91.58 82.15 -23.02 92.32 81.06 -22.33 93.14 2 0 10.15-999 ?-999 ?-999 ? O4 PO4 F 510 mTRP~F 16 81.11 -23.43 90.15 81.30 -22.46 90.04 81.33 -25.45 88.68 80.81 -26.51 88.32 80.47 -24.28 89.14 80.06 -23.44 87.93 3 0 13.25-999 ?-999 ?-999 ? O3 PO4 F 510 mARG~F 17 82.64 -25.26 88.71 82.93 -24.35 89.01 83.31 -27.55 89.17 83.52 -28.67 88.71 83.57 -26.30 88.32 85.02 -25.82 88.50 2 0 12.26-999 ?-999 ?-999 ? O3 PO4 F 510 mLEU~F 18 82.84 -27.34 90.40 82.70 -26.38 90.63 81.56 -29.47 90.77 81.60 -30.64 91.16 82.58 -28.45 91.30 82.13 -27.93 92.67 3 0 12.62-999 ?-999 ?-999 ? O4 PO4 F 510 mPHE~F 19 80.65 -29.04 89.89 80.71 -28.07 89.64 80.34 -31.01 88.45 79.75 -32.04 88.15 79.68 -29.97 89.35 78.57 -29.25 88.57 3 0 16.33-999 ?-999 ?-999 ? O4 PO4 F 510 mARG~F 20 81.55 -30.74 88.00 81.92 -29.85 88.27 82.64 -32.92 88.01 82.74 -34.05 87.51 82.25 -31.71 87.16 83.49 -31.08 86.53 2 0 16.75-999 ?-999 ?-999 ? O1 PO4 E 509 mILE~F 21 82.84 -32.69 89.31 82.73 -31.73 89.58 81.95 -34.58 90.53 81.98 -35.81 90.52 83.20 -33.75 90.23 83.73 -33.18 91.55 3 0 15.05-999 ?-999 ?-999 ? O1 PO4 E 509 mLEU~F 22 80.86 -33.88 90.81 80.98 -32.89 90.78 79.09 -35.42 89.99 78.61 -36.53 90.22 79.59 -34.54 91.13 78.53 -33.50 91.50 3 0 12.34-999 ?-999 ?-999 ? O1 PO4 E 509 mALA~F 23 79.21 -34.92 88.76 79.62 -34.01 88.72 79.63 -36.91 87.37 79.15 -37.94 86.87 78.77 -35.66 87.59 78.80 -34.76 86.35 2 0 11.72-999 ?-999 ?-999 ? O1 PO4 E 509 mGLU~F 24 80.90 -36.84 87.76 81.17 -35.96 88.15 81.35 -39.08 88.57 81.43 -40.27 88.22 81.81 -37.97 87.62 83.23 -37.54 87.94 2 0 11.68-999 ?-999 ?-999 ? O1 PO4 E 509 mPHE~F 25 80.87 -38.70 89.75 80.89 -37.72 89.92 79.10 -40.29 90.14 78.93 -41.51 90.11 80.36 -39.68 90.71 80.01 -39.02 92.04 3 0 8.76-999 ?-999 ?-999 ? O1 PO4 E 509 mVAL~F 26 78.18 -39.44 89.71 78.41 -38.48 89.81 77.21 -40.97 88.07 76.77 -42.11 88.14 76.93 -39.94 89.15 76.09 -38.78 88.55 3 0 6.83-999 ?-999 ?-999 ? O1 PO4 E 509 mGLU~F 27 77.95 -40.56 87.05 78.24 -39.60 87.11 78.97 -42.74 86.47 78.59 -43.84 86.07 78.30 -41.46 85.96 79.19 -40.71 84.97 2 0 8.33-999 ?-999 ?-999 ? O1 PO4 E 509 mGLY~F 28 79.95 -42.61 87.36 80.16 -41.67 87.62 79.73 -44.78 88.57 79.88 -46.00 88.38 80.64 -43.78 87.88-999.99-999.99-999.99 1 0 8.00-999 ?-999 ?-999 ? O1 PO4 E 509 mPHE~F 29 78.79 -44.27 89.36 78.79 -43.27 89.42 76.90 -45.84 89.11 76.54 -47.00 89.34 77.84 -45.12 90.08 76.99 -44.29 91.04 3 0 -4.34-999 ?-999 ?-999 ? O1 PO4 E 509s mGLU~F 30 76.48 -45.17 88.04 76.82 -44.23 87.97 76.34 -46.93 86.38 75.87 -48.06 86.28 75.59 -45.81 87.09 75.12 -44.86 86.01 2 0 5.01-999 ?-999 ?-999 ? O1 PO4 E 509 mTHR~F 31 77.52 -46.59 85.87 77.79 -45.64 86.02 78.63 -48.82 85.96 78.39 -49.92 85.50 78.32 -47.56 85.15 79.61 -46.90 84.65 2 0 8.19-999 ?-999 ?-999 ? O3 PO4 E 509 mLEU~F 32 79.11 -48.67 87.19 79.21 -47.73 87.50 78.25 -50.55 88.59 78.24 -51.78 88.67 79.45 -49.84 87.98 80.45 -49.47 89.09 3 0 7.62-999 ?-999 ?-999 ? O2 PO4 E 509 mSER~F 33 77.23 -49.79 89.01 77.33 -48.81 88.86 75.20 -51.23 88.67 74.47 -52.13 89.11 76.06 -50.42 89.63 75.19 -49.38 90.37 2 0 -4.65-999 ?-999 ?-999 ? O3 PO4 E 509s mGLU~F 34 75.27 -50.94 87.38 75.90 -50.19 87.15 75.07 -53.06 86.15 74.38 -53.99 85.74 74.47 -51.67 86.40 74.37 -50.92 85.06 2 0 6.54-999 ?-999 ?-999 ? O3 PO4 E 509 mLEU~F 35 76.37 -53.18 86.40 76.82 -52.35 86.72 76.49 -55.46 87.19 76.15 -55.11 88.32 77.05 -54.46 86.20 78.56 -54.31 86.43 3 0 9.54-999 ?-999 ?-999 ? O3 PO4 E 509 mGLN.F 36 76.40 -56.71 86.77 76.69 -56.90 85.83 76.92 -58.68 88.23 76.72 -59.24 89.30 75.89 -57.70 87.69 74.68 -58.40 87.08 2 0 11.20-999 ?-999 ?-999 ? O3 PO4 E 509 mVAL.F 37 78.02 -58.88 87.52 78.07 -58.38 86.65 79.60 -59.19 89.35 79.57 -57.98 89.56 79.05 -59.77 88.03 80.23 -59.90 87.05 3 0 14.12-999 ?-999 ?-999 ? O2 PO4 E 509 mPRO.F 38 80.07 -60.06 90.26 80.02 -61.02 90.00 81.90 -58.85 91.21 82.73 -59.39 90.46 80.61 -59.57 91.54 80.87 -60.85 92.32 3 0 13.74-999 ?-999 ?-999 ? O2 PO4 E 509 mLEU^F 39 82.07 -57.66 91.76 81.34 -57.38 92.38 84.35 -56.88 92.50 84.15 -56.47 93.65 83.25 -56.84 91.47 82.84 -55.39 91.25 3 0 13.07-999 ?-999 ?-999 ? O2 PO4 E 509 mVAL^F 40 85.52 -57.35 92.08 85.52 -57.64 91.12 87.69 -56.40 92.47 88.03 -56.35 91.29 86.68 -57.43 92.96 87.30 -58.85 92.93 3 0 15.90-999 ?-999 ?-999 ? O2 PO4 E 509 mSER^F 41 88.17 -55.58 93.40 87.81 -55.73 94.32 90.56 -55.07 93.29 90.83 -55.80 94.24 89.14 -54.56 93.09 88.91 -53.32 93.95 2 0 13.73-999 ?-999 ?-999 ? O4 PO4 F 502 mVAL^F 42 91.45 -54.66 92.40 91.09 -54.05 91.70 93.76 -53.91 92.21 93.54 -53.12 91.28 92.84 -55.09 92.48 93.13 -56.21 91.45 3 0 11.07-999 ?-999 ?-999 ? O4 PO4 F 502 mPHE^F 43 94.79 -53.78 93.03 94.86 -54.47 93.75 97.12 -53.28 92.95 97.33 -54.26 93.67 95.73 -52.69 92.85 95.53 -51.61 93.92 3 0 -7.38-999 ?-999 ?-999 ? O4 PO4 F 502s mGLY.F 44 98.05 -52.69 92.22 97.74 -51.91 91.68 100.29 -52.24 91.43 99.80 -51.32 90.78 99.41 -53.18 92.23-999.99-999.99-999.99 1 0 5.30-999 ?-999 ?-999 ? O2 PO4 F 502 mSER.F 45 101.59 -52.49 91.48 101.82 -53.29 92.04 102.30 -51.33 89.36 101.89 -52.17 88.57 102.60 -51.69 90.81 103.95 -52.41 90.86 2 0 -3.49-999 ?-999 ?-999 ? O3 PO4 F 502s mALA.F 46 102.54 -50.07 89.03 102.85 -49.49 89.78 103.71 -49.72 86.92 103.79 -49.39 85.74 102.36 -49.60 87.67 101.90 -48.14 87.67 2 0 -3.67-999 ?-999 ?-999 ? O3 PO4 F 502s mARG.F 47 104.74 -50.21 87.58 104.55 -50.49 88.52 106.56 -51.73 86.68 107.53 -51.92 85.95 106.05 -50.32 86.94 107.09 -49.56 87.76 2 0 5.52-999 ?-999 ?-999 ? O3 PO4 F 502 mPHE.F 48 105.92 -52.72 87.29 105.17 -52.44 87.88 105.71 -54.60 85.78 104.50 -54.85 85.72 106.35 -54.10 87.07 105.92 -54.96 88.26 3 0 7.83-999 ?-999 ?-999 ? O3 PO4 F 502 mGLY.F 49 106.53 -54.75 84.74 107.49 -54.53 84.93 106.14 -56.69 83.19 106.37 -57.47 84.12 106.04 -55.19 83.44-999.99-999.99-999.99 1 0 10.74-999 ?-999 ?-999 ? O3 PO4 F 502 mGLU.F 50 105.97 -57.08 81.93 105.81 -56.33 81.28 107.24 -59.24 82.03 108.37 -58.80 81.86 106.01 -58.49 81.55 105.89 -58.65 80.03 2 0 14.29-999 ?-999 ?-999 ? O3 PO4 F 502 mGLY.F 51 107.01 -60.39 82.66 106.05 -60.65 82.75 108.45 -60.94 84.63 109.19 -61.70 85.24 108.13 -61.18 83.16-999.99-999.99-999.99 1 0 16.00-999 ?-999 ?-999 ? O3 PO4 F 502 mHIS~F 52 107.89 -59.88 85.20 107.32 -59.31 84.60 107.23 -60.51 87.40 106.10 -60.78 87.01 108.14 -59.59 86.60 107.84 -58.12 86.92 3 0 13.24-999 ?-999 ?-999 ? O3 PO4 F 502 mPRO~F 53 107.73 -61.02 88.53 108.67 -60.75 88.75 105.52 -61.36 89.63 104.54 -62.07 89.50 106.92 -61.91 89.35 107.77 -62.05 90.61 3 0 14.34-999 ?-999 ?-999 ? O3 PO4 F 502 mALA~F 54 105.45 -60.10 90.02 106.33 -59.63 90.08 103.26 -59.38 89.10 102.03 -59.46 89.22 104.18 -59.46 90.33 104.43 -58.08 90.90 2 0 11.25-999 ?-999 ?-999 ? O2 PO4 F 502 mTYR~F 55 103.85 -59.24 87.92 104.84 -59.18 87.95 102.44 -60.56 86.40 101.25 -60.67 86.08 103.06 -59.18 86.69 103.94 -58.77 85.50 3 0 11.78-999 ?-999 ?-999 ? O3 PO4 F 502 mGLU~F 56 103.27 -61.59 86.50 104.21 -61.34 86.75 101.74 -63.34 87.26 100.74 -63.98 86.90 102.84 -62.96 86.26 104.04 -63.91 86.39 2 0 15.48-999 ?-999 ?-999 ? O3 PO4 F 502 mALA~F 57 101.94 -62.94 88.51 102.79 -62.45 88.67 99.67 -62.48 89.22 98.57 -63.02 89.37 100.96 -63.23 89.55 101.49 -62.80 90.88 2 0 14.97-999 ?-999 ?-999 ? O2 PO4 F 502 mGLY~F 58 99.81 -61.24 88.77 100.75 -60.91 88.71 97.87 -61.11 87.29 96.63 -61.12 87.30 98.66 -60.44 88.40-999.99-999.99-999.99 1 0 13.11-999 ?-999 ?-999 ? O2 PO4 F 502 mTYR~F 59 98.58 -61.66 86.32 99.57 -61.58 86.41 97.13 -63.57 85.70 95.97 -63.76 85.34 97.91 -62.34 85.22 98.92 -62.74 84.14 3 0 16.08-999 ?-999 ?-999 ? O3 PO4 F 502 mARG~F 60 97.76 -64.39 86.54 98.69 -64.12 86.77 95.88 -65.21 87.87 94.87 -65.90 87.81 97.11 -65.58 87.05 98.07 -66.40 87.92 2 0 18.61-999 ?-999 ?-999 ? O2 PO4 F 502 mLEU~F 61 95.96 -64.12 88.63 96.85 -63.66 88.57 93.64 -63.23 88.64 92.50 -63.65 88.90 94.85 -63.67 89.47 95.31 -62.50 90.35 3 0 17.01-999 ?-999 ?-999 ? O2 PO4 F 502 mGLY~F 62 93.88 -62.38 87.65 94.84 -62.10 87.54 92.10 -63.11 86.17 90.88 -63.18 86.13 92.79 -61.92 86.81-999.99-999.99-999.99 1 0 17.27-999 ?-999 ?-999 ? O4 PO4 F 502 mARG~F 63 92.89 -64.05 85.68 93.87 -63.88 85.79 91.48 -66.03 85.99 90.32 -66.32 85.67 92.36 -65.23 85.03 93.50 -66.11 84.52 2 0 20.81-999 ?-999 ?-999 ? O4 PO4 F 502 mALA~F 64 92.04 -66.37 87.14 92.99 -66.07 87.24 90.01 -66.45 88.58 88.98 -67.10 88.74 91.31 -67.13 88.16 92.20 -67.33 89.40 2 0 21.92-999 ?-999 ?-999 ? O2 PO4 F 502 mLEU~F 65 90.07 -65.14 88.79 90.97 -64.73 88.64 87.82 -64.46 88.11 86.65 -64.70 88.43 88.90 -64.38 89.19 89.29 -62.92 89.47 3 0 20.86-999 ?-999 ?-999 ? O4 PO4 F 502 mALA~F 66 88.22 -64.27 86.85 89.19 -64.07 86.75 86.71 -65.79 85.66 85.48 -65.98 85.61 87.28 -64.37 85.74 87.97 -64.03 84.43 2 0 22.49-999 ?-999 ?-999 ? O4 PO4 F 502 mGLU~F 67 87.60 -66.78 85.66 88.55 -66.48 85.69 86.11 -68.43 86.69 85.23 -69.25 86.49 87.18 -68.17 85.62 88.38 -69.07 85.89 2 0 25.49-999 ?-999 ?-999 ? O2 PO4 E 509 mALA~F 68 86.21 -67.73 87.82 86.98 -67.09 87.82 84.00 -67.07 88.85 83.14 -67.19 89.71 85.30 -67.88 88.95 86.03 -67.52 90.23 2 0 23.55-999 ?-999 ?-999 ? O2 PO4 E 509 mGLY.F 69 83.86 -66.26 87.81 84.64 -66.23 87.18 82.68 -64.09 88.23 81.66 -63.39 88.24 82.64 -65.49 87.65-999.99-999.99-999.99 1 0 20.58-999 ?-999 ?-999 ? O2 PO4 E 509 mPHE.F 70 83.84 -63.69 88.73 84.58 -64.35 88.69 84.37 -61.38 88.19 84.82 -61.77 87.12 83.96 -62.35 89.28 85.01 -62.32 90.40 3 0 18.15-999 ?-999 ?-999 ? O2 PO4 E 509 mGLY^F 71 84.18 -60.09 88.45 83.72 -59.90 89.32 85.78 -58.41 88.24 85.82 -58.40 89.47 84.60 -59.07 87.52-999.99-999.99-999.99 1 0 16.48-999 ?-999 ?-999 ? O2 PO4 E 509 mVAL^F 72 86.75 -57.89 87.50 86.64 -57.98 86.51 87.89 -55.74 87.87 87.55 -55.31 86.77 87.89 -57.24 88.15 89.22 -57.82 87.64 3 0 16.61-999 ?-999 ?-999 ? O4 PO4 F 502 mVAL^F 73 88.25 -54.96 88.88 88.49 -55.46 89.72 89.70 -53.04 89.14 90.14 -53.20 90.29 88.30 -53.51 88.77 87.30 -52.82 89.75 3 0 14.22-999 ?-999 ?-999 ? O4 PO4 F 502 mTHR^F 74 90.39 -52.45 88.17 89.91 -52.39 87.29 91.80 -50.44 88.11 90.78 -49.81 87.82 91.74 -51.94 88.39 92.74 -52.61 87.45 2 0 10.67-999 ?-999 ?-999 ? O4 PO4 F 502 mGLY.F 75 93.01 -49.89 88.19 93.75 -50.51 88.44 93.31 -48.24 86.42 93.46 -47.10 85.96 93.18 -48.47 87.91-999.99-999.99-999.99 1 0 8.60-999 ?-999 ?-999 ? O4 PO4 F 502 mGLY.F 76 93.27 -49.33 85.65 93.17 -50.19 86.16 94.69 -48.84 83.62 94.76 -48.46 82.45 93.36 -49.26 84.21-999.99-999.99-999.99 1 0 10.76-999 ?-999 ?-999 ? O4 PO4 F 502 mGLY.F 77 95.76 -48.91 84.40 95.61 -49.23 85.33 97.95 -49.67 83.45 97.48 -50.79 83.28 97.06 -48.51 83.86-999.99-999.99-999.99 1 0 8.80-999 ?-999 ?-999 ? O4 PO4 F 502 mPRO.F 78 99.26 -49.43 83.28 99.50 -48.47 83.45 100.66 -51.27 84.07 100.02 -51.23 85.12 100.25 -50.43 82.88 101.40 -49.58 82.39 3 0 8.86-999 ?-999 ?-999 ? O3 PO4 F 502 mGLY~F 79 101.73 -52.04 83.90 102.14 -52.00 82.99 101.29 -53.97 85.41 100.50 -54.48 84.61 102.23 -52.86 84.98-999.99-999.99-999.99 1 0 7.65-999 ?-999 ?-999 ? O3 PO4 F 502 mVAL~F 80 101.38 -54.34 86.69 102.04 -53.82 87.23 99.07 -55.12 87.05 98.25 -56.03 87.05 100.56 -55.41 87.24 100.87 -55.67 88.75 3 0 8.47-999 ?-999 ?-999 ? O3 PO4 F 502 mMETF 81 98.73 -53.85 86.88 99.49 -53.21 86.92 96.94 -54.04 85.28 95.91 -54.72 85.14 97.35 -53.46 86.64 97.24 -51.95 86.53 2 0 8.62-999 ?-999 ?-999 ? O4 PO4 F 502 mGLU~F 82 97.76 -53.75 84.28 98.53 -53.16 84.52 97.53 -55.78 82.97 96.82 -56.42 82.22 97.53 -54.26 82.95 98.60 -53.74 82.00 2 0 11.45-999 ?-999 ?-999 ? O3 PO4 F 502 mALA~F 83 98.34 -56.36 83.85 98.86 -55.73 84.43 97.12 -58.40 84.37 96.64 -59.39 83.80 98.44 -57.81 83.92 99.55 -58.22 84.88 2 0 12.76-999 ?-999 ?-999 ? O3 PO4 F 502 mVAL~F 84 96.54 -57.78 85.39 97.04 -56.99 85.74 94.13 -58.06 84.94 93.34 -58.99 84.74 95.28 -58.23 85.93 94.99 -57.50 87.24 3 0 13.45-999 ?-999 ?-999 ? O4 PO4 F 502 mASN~F 85 94.01 -56.88 84.33 94.67 -56.19 84.58 93.18 -57.71 82.23 92.23 -58.34 81.75 92.94 -56.70 83.35 92.94 -55.28 82.75 2 0 14.78-999 ?-999 ?-999 ? O4 PO4 F 502 mARG~F 86 94.44 -57.88 81.83 95.12 -57.34 82.33 94.40 -60.25 81.08 93.77 -60.94 80.27 94.77 -58.82 80.75 96.25 -58.75 80.38 2 0 16.88-999 ?-999 ?-999 ? O3 PO4 F 502 mGLY~F 87 94.79 -60.71 82.27 95.30 -60.07 82.84 92.95 -62.32 82.66 92.48 -63.37 82.21 94.46 -62.07 82.64-999.99-999.99-999.99 1 0 18.29-999 ?-999 ?-999 ? O3 PO4 F 502 mALA~F 88 92.19 -61.37 83.18 92.70 -60.57 83.50 90.13 -61.43 81.87 89.34 -62.27 81.45 90.73 -61.52 83.26 90.13 -60.42 84.14 2 0 19.29-999 ?-999 ?-999 ? O4 PO4 F 502 mTYR~F 89 90.53 -60.38 81.17 91.17 -59.79 81.66 90.25 -61.29 78.88 89.34 -61.66 78.16 90.08 -60.11 79.82 90.86 -58.93 79.24 3 0 20.45-999 ?-999 ?-999 ? O4 PO4 F 502 mGLU~F 90 91.43 -61.90 78.89 92.10 -61.55 79.55 90.98 -64.28 78.36 90.85 -65.18 77.54 91.68 -62.99 77.97 93.19 -63.19 77.77 2 0 22.70-999 ?-999 ?-999 ? O4 PO4 F 502 mALA~F 91 90.50 -64.35 79.59 90.65 -63.54 80.16 88.28 -65.39 79.80 87.50 -66.27 80.15 89.80 -65.54 80.04 90.08 -65.78 81.52 2 0 24.21-999 ?-999 ?-999 ? O4 PO4 F 502 mGLY.F 92 87.87 -64.29 79.19 88.60 -63.65 78.94 85.72 -63.39 80.06 84.49 -63.31 80.04 86.46 -64.07 78.92-999.99-999.99-999.99 1 0 24.72-999 ?-999 ?-999 ? O3 PO4 E 509 mGLY.F 93 86.45 -62.89 81.05 87.44 -63.01 80.95 85.49 -60.76 81.89 85.88 -60.21 80.86 85.82 -62.22 82.17-999.99-999.99-999.99 1 0 21.61-999 ?-999 ?-999 ? O3 PO4 E 509 mVAL.F 94 84.75 -60.14 82.80 84.46 -60.71 83.57 85.57 -57.94 83.27 85.88 -58.10 84.45 84.40 -58.73 82.65 83.08 -58.37 83.41 3 0 18.26-999 ?-999 ?-999 ? O3 PO4 E 509 mSER^F 95 86.21 -57.10 82.46 85.84 -57.06 81.53 87.02 -54.83 82.99 86.65 -54.23 82.00 87.35 -56.32 82.91 88.53 -56.54 81.95 2 0 18.39-999 ?-999 ?-999 ? O4 PO4 F 502 mVAL^F 96 87.16 -54.25 84.18 87.48 -54.86 84.90 88.12 -52.04 84.73 88.96 -52.49 85.49 86.86 -52.84 84.38 85.88 -52.63 85.54 3 0 16.20-999 ?-999 ?-999 ? O2 PO4 E 509 mGLY^F 97 88.21 -50.83 84.18 87.46 -50.58 83.57 88.89 -48.59 84.86 88.10 -47.95 84.15 89.35 -49.97 84.46-999.99-999.99-999.99 1 0 13.82-999 ?-999 ?-999 ? O4 PO4 F 502 mLEU^F 98 89.33 -48.12 86.02 89.93 -48.75 86.53 90.15 -45.90 86.10 91.00 -45.59 86.93 88.97 -46.79 86.49 88.78 -46.81 88.02 3 0 12.97-999 ?-999 ?-999 ? O4 PO4 F 502 mASN^F 99 90.18 -45.51 84.83 89.38 -45.83 84.32 91.35 -43.22 84.54 90.40 -42.47 84.31 91.26 -44.71 84.22 91.18 -44.83 82.70 2 0 12.47-999 ?-999 ?-999 ? O4 PO4 F 502 mILE.F 100 92.50 -42.79 85.03 93.19 -43.50 85.17 93.35 -40.71 84.14 94.42 -41.12 83.70 92.69 -41.38 85.33 93.60 -41.18 86.56 3 0 12.00-999 ?-999 ?-999 ? O4 PO4 F 502 mPRO.F 108 95.46 -45.94 78.57 95.97 -45.20 78.13 95.07 -48.36 78.59 95.14 -48.46 77.36 94.70 -47.02 79.22 93.24 -46.65 78.93 3 0 13.96-999 ?-999 ?-999 ? O4 PO4 F 502 mASN.F 109 95.31 -49.39 79.40 95.24 -49.19 80.38 94.49 -51.15 77.94 93.34 -50.78 78.17 95.66 -50.69 78.84 95.99 -51.70 79.96 2 0 14.28-999 ?-999 ?-999 ? O4 PO4 F 502 mPRO.F 110 94.77 -51.96 76.90 95.73 -52.20 76.80 93.01 -53.71 76.38 92.63 -54.49 75.51 93.70 -52.42 75.99 94.43 -52.56 74.67 3 0 18.00-999 ?-999 ?-999 ? O4 PO4 F 502 mTYR.F 111 92.83 -53.93 77.67 93.16 -53.20 78.27 91.07 -54.82 79.06 90.96 -55.37 80.15 92.20 -55.16 78.12 93.25 -56.03 78.82 3 0 17.88-999 ?-999 ?-999 ? O4 PO4 F 502 mGLN.F 112 90.22 -53.90 78.62 90.42 -53.54 77.70 87.77 -53.62 78.72 87.61 -53.19 77.57 89.10 -53.46 79.43 89.29 -52.01 79.83 2 0 18.04-999 ?-999 ?-999 ? O4 PO4 F 502 mTHR.F 113 86.83 -54.26 79.40 87.11 -54.60 80.29 84.80 -53.11 79.04 84.05 -52.67 78.18 85.50 -54.45 78.86 84.73 -55.52 79.64 2 0 19.01-999 ?-999 ?-999 ? O3 PO4 E 509 mHIS^F 114 85.04 -52.48 80.19 85.64 -52.99 80.81 85.58 -50.29 81.02 86.11 -50.51 82.12 84.47 -51.17 80.50 83.39 -51.26 81.59 3 0 16.25-999 ?-999 ?-999 ? O3 PO4 E 509 mALA^F 115 85.94 -49.28 80.24 85.44 -49.23 79.37 86.31 -47.04 81.07 85.71 -46.36 80.25 86.97 -48.34 80.64 87.92 -48.07 79.47 2 0 17.44-999 ?-999 ?-999 ? O1 PO4 E 509 mLEU^F 116 86.39 -46.72 82.36 86.88 -47.39 82.91 86.86 -44.39 82.74 88.04 -44.61 83.02 85.81 -45.48 82.89 85.50 -45.60 84.39 3 0 14.89-999 ?-999 ?-999 ? O1 PO4 E 509 mSER^F 117 86.44 -43.20 82.30 85.47 -43.16 82.09 87.07 -41.10 83.27 86.02 -40.44 83.28 87.37 -42.09 82.17 87.23 -41.42 80.81 2 0 16.92-999 ?-999 ?-999 ? O1 PO4 E 509 mLEU.F 118 88.00 -41.01 84.21 88.80 -41.59 84.05 88.89 -39.04 85.43 90.07 -39.24 85.14 87.85 -40.16 85.37 87.91 -41.02 86.63 3 0 16.18-999 ?-999 ?-999 ? O4 PO4 F 502 mARG.F 119 88.43 -37.86 85.82 87.45 -37.86 86.03 89.85 -36.54 87.33 90.99 -36.10 87.50 89.27 -36.67 85.92 88.43 -35.43 85.58 2 0 16.83-999 ?-999 ?-999 ? O4 PO4 F 502 mTYR~F 120 89.08 -36.95 88.33 88.20 -37.33 88.05 89.82 -38.17 90.40 89.03 -39.11 90.40 89.50 -36.85 89.72 88.43 -36.11 90.53 3 0 15.63-999 ?-999 ?-999 ? O4 PO4 F 502 mPHE~F 121 91.00 -38.22 91.00 91.53 -37.37 90.93 90.62 -39.82 92.87 90.43 -41.02 93.11 91.49 -39.41 91.68 92.93 -39.19 92.15 3 0 12.31-999 ?-999 ?-999 ? O4 PO4 F 502 mPHE~F 122 90.10 -38.86 93.62 90.32 -37.92 93.34 87.93 -39.86 94.36 87.37 -40.64 95.13 89.27 -39.22 94.76 89.07 -38.03 95.70 3 0 14.48-999 ?-999 ?-999 ? O4 PO4 F 502 mVAL~F 123 87.41 -39.55 93.18 87.93 -38.89 92.64 86.54 -41.66 92.53 85.80 -42.56 92.91 86.17 -40.19 92.75 85.63 -39.57 91.44 3 0 13.42-999 ?-999 ?-999 ? O1 PO4 E 509 mARG~F 124 87.70 -41.90 91.92 88.21 -41.08 91.66 88.22 -44.03 93.01 87.72 -45.15 93.13 88.15 -43.26 91.69 89.53 -43.25 91.01 2 0 13.33-999 ?-999 ?-999 ? O4 PO4 F 502 mLYS~F 125 88.86 -43.43 94.01 89.24 -42.53 93.80 87.57 -44.54 95.79 87.41 -45.67 96.25 88.96 -44.08 95.31 89.61 -43.13 96.31 2 0 12.83-999 ?-999 ?-999 ? O4 PO4 F 502 mVAL~F 126 86.54 -43.69 95.67 86.78 -42.80 95.29 84.70 -45.27 95.20 84.14 -46.26 95.70 85.19 -44.11 96.07 84.17 -42.92 95.97 3 0 11.82-999 ?-999 ?-999 ? O2 PO4 E 509 mLEU~F 127 84.92 -45.16 93.89 85.40 -44.33 93.61 85.12 -47.55 93.15 84.53 -48.58 92.84 84.46 -46.19 92.95 84.63 -45.72 91.50 3 0 10.27-999 ?-999 ?-999 ? O2 PO4 E 509 mPHE~F 128 86.34 -47.56 93.68 86.71 -46.65 93.88 86.37 -49.63 95.04 86.48 -50.85 95.06 87.04 -48.81 93.94 88.49 -48.55 94.38 3 0 12.87-999 ?-999 ?-999 ? O2 PO4 E 509 mVAL~F 129 85.68 -48.95 95.95 85.63 -47.96 95.81 83.53 -49.63 97.14 82.95 -50.47 97.82 85.05 -49.65 97.06 85.55 -49.12 98.42 3 0 11.70-999 ?-999 ?-999 ? O2 PO4 E 509 mARG~F 130 82.86 -48.70 96.46 83.43 -48.08 95.91 80.70 -49.96 96.29 79.73 -50.28 96.96 81.40 -48.63 96.57 80.82 -47.55 95.65 2 0 8.03-999 ?-999 ?-999 ? O2 PO4 E 509 mTYR~F 131 81.19 -50.72 95.31 81.98 -50.33 94.85 81.55 -53.19 95.13 81.32 -54.26 94.54 80.59 -52.01 94.95 80.10 -51.97 93.49 3 0 -8.00-999 ?-999 ?-999 ? O2 PO4 E 509s mALA^F 132 82.60 -53.03 95.93 82.65 -52.14 96.38 83.11 -55.28 96.97 82.53 -55.10 98.04 83.58 -54.11 96.12 84.87 -53.55 96.69 2 0 11.83-999 ?-999 ?-999 ? O2 PO4 E 509 mVAL^F 133 83.39 -56.48 96.47 83.89 -56.44 95.61 84.32 -58.31 97.72 84.30 -59.33 98.43 83.03 -57.73 97.12 82.40 -58.67 96.06 3 0 14.08-999 ?-999 ?-999 ? O2 PO4 E 509 mGLY^F 134 85.42 -57.62 97.44 85.26 -56.81 96.88 87.77 -57.06 97.32 87.45 -56.33 96.38 86.74 -58.01 97.91-999.99-999.99-999.99 1 0 17.02-999 ?-999 ?-999 ? O2 PO4 E 509 mPHE^F 135 88.98 -57.05 97.86 89.10 -57.68 98.62 91.39 -56.87 97.49 91.75 -57.31 98.58 90.03 -56.16 97.35 90.03 -54.85 98.15 3 0 14.79-999 ?-999 ?-999 ? O2 PO4 F 502 mVAL^F 136 92.12 -56.99 96.38 91.70 -56.57 95.58 94.59 -56.74 96.08 94.54 -55.97 95.13 93.42 -57.68 96.38 93.41 -58.81 95.33 3 0 12.87-999 ?-999 ?-999 ? O2 PO4 F 502 mPHE^F 137 95.63 -56.80 96.89 95.55 -57.46 97.64 98.02 -56.79 96.36 98.32 -57.74 97.07 96.79 -55.94 96.67 97.08 -55.06 97.90 3 0 9.59-999 ?-999 ?-999 ? O2 PO4 F 502 mLEU.F 138 98.71 -56.43 95.27 98.30 -55.64 94.80 101.11 -56.12 94.98 100.91 -54.93 95.19 99.93 -57.09 94.81 99.79 -57.46 93.32 3 0 8.75-999 ?-999 ?-999 ? O2 PO4 F 502 mPRO.F 139 102.36 -56.61 94.87 102.43 -57.59 94.69 103.48 -54.41 94.22 103.35 -54.42 93.00 103.52 -55.72 95.03 104.69 -56.61 94.62 3 0 7.29-999 ?-999 ?-999 ? O2 PO4 F 502 mGLY.F 140 103.62 -53.28 94.91 103.74 -53.40 95.90 104.30 -50.94 95.07 104.98 -51.27 96.03 103.60 -51.99 94.24-999.99-999.99-999.99 1 0 -3.65-999 ?-999 ?-999 ? O2 PO4 F 502s mGLY~F 141 104.13 -49.67 94.71 103.54 -49.53 93.91 103.86 -47.69 96.24 103.08 -48.14 97.07 104.78 -48.60 95.45-999.99-999.99-999.99 1 0 -3.41-999 ?-999 ?-999 ? O2 PO4 F 502s mPHE~F 142 103.98 -46.39 96.00 104.66 -46.16 95.30 101.68 -45.53 96.38 100.85 -45.56 97.29 103.17 -45.40 96.70 103.65 -43.98 96.36 3 0 -4.15-999 ?-999 ?-999 ? O1 PO4 F 502s mGLY~F 143 101.34 -45.62 95.11 102.10 -45.59 94.45 99.26 -46.92 95.42 98.14 -46.81 95.92 99.94 -45.75 94.74-999.99-999.99-999.99 1 0 -3.54-999 ?-999 ?-999 ? O4 PO4 F 502s mTHR~F 144 99.96 -48.06 95.45 100.86 -48.00 95.02 99.34 -49.10 97.57 98.36 -49.53 98.18 99.42 -49.26 96.06 100.27 -50.50 95.68 2 0 -3.97-999 ?-999 ?-999 ? O2 PO4 F 502s mLEU~F 145 100.35 -48.49 98.17 101.09 -48.19 97.57 99.18 -47.29 99.89 98.39 -47.45 100.83 100.32 -48.28 99.61 101.64 -47.69 100.10 3 0 6.65-999 ?-999 ?-999 ? O2 PO4 F 502 mASP~F 146 99.10 -46.26 99.07 99.80 -46.24 98.35 96.71 -45.95 99.27 95.99 -45.81 100.25 98.06 -45.26 99.21 98.11 -44.30 98.02 2 0 8.05-999 ?-999 ?-999 ? O2 PO4 F 502 mGLU~F 147 96.40 -46.73 98.24 97.10 -46.79 97.53 94.88 -48.40 99.34 93.79 -48.42 99.91 95.12 -47.42 98.19 94.96 -48.13 96.84 2 0 8.59-999 ?-999 ?-999 ? O4 PO4 F 502 mLEU~F 148 95.88 -49.20 99.70 96.71 -49.10 99.16 95.43 -49.39 102.10 94.54 -49.77 102.87 95.71 -50.15 100.81 96.98 -51.00 101.00 3 0 10.04-999 ?-999 ?-999 ? O2 PO4 F 502 mSER~F 149 96.18 -48.31 102.32 96.85 -48.13 101.59 94.62 -46.94 103.68 94.05 -46.97 104.77 96.04 -47.48 103.51 96.99 -46.28 103.46 2 0 10.35-999 ?-999 ?-999 ? O3 PO4 E 504 mGLU~F 150 94.07 -46.44 102.58 94.63 -46.48 101.76 91.71 -46.96 102.88 90.75 -46.76 103.63 92.73 -45.87 102.63 92.41 -45.13 101.32 2 0 10.72-999 ?-999 ?-999 ? O3 PO4 E 504 mVAL~F 151 91.91 -48.12 102.26 92.72 -48.16 101.67 90.97 -49.63 103.93 89.91 -49.81 104.53 90.98 -49.22 102.46 91.34 -50.43 101.57 3 0 12.34-999 ?-999 ?-999 ? O3 PO4 E 504 mLEU~F 152 92.15 -49.76 104.54 92.95 -49.58 103.97 91.44 -49.13 106.80 90.61 -49.51 107.63 92.20 -50.15 105.94 93.65 -50.31 106.42 3 0 9.75-999 ?-999 ?-999 ? O3 PO4 E 504 mVAL~F 153 91.69 -47.84 106.58 92.38 -47.66 105.88 89.48 -46.89 107.15 88.72 -46.92 108.12 91.00 -46.79 107.34 91.45 -45.38 106.92 3 0 7.24-999 ?-999 ?-999 ? O3 PO4 E 504 mLEU~F 154 89.06 -46.93 105.89 89.80 -46.89 105.22 86.96 -48.19 106.23 85.87 -48.03 106.79 87.65 -47.01 105.54 87.52 -47.12 104.01 3 0 10.53-999 ?-999 ?-999 ? O3 PO4 E 504 mLEU~F 155 87.58 -49.36 106.22 88.45 -49.37 105.73 87.12 -50.37 108.41 86.15 -50.56 109.15 86.99 -50.52 106.89 87.66 -51.82 106.44 3 0 11.69-999 ?-999 ?-999 ? O3 PO4 E 504 mGLN~F 156 88.32 -50.04 108.86 89.02 -49.92 108.16 87.51 -48.96 110.93 87.05 -49.23 112.04 88.56 -49.87 110.29 89.94 -49.29 110.56 2 0 8.81-999 ?-999 ?-999 ? O3 PO4 E 504 mTHR~F 157 87.15 -47.88 110.23 87.60 -47.79 109.34 84.79 -47.17 110.20 83.91 -46.35 110.40 86.18 -46.94 110.75 86.59 -45.48 110.45 2 0 9.01-999 ?-999 ?-999 ? O3 PO4 E 504 mGLU.F 158 84.61 -48.26 109.47 85.45 -48.80 109.34 82.64 -47.58 108.03 81.44 -47.37 108.15 83.32 -48.62 108.91 82.37 -49.02 110.05 2 0 12.70-999 ?-999 ?-999 ? O3 PO4 E 504 mLYS.F 159 83.40 -46.93 107.15 84.37 -47.19 107.17 82.24 -46.61 105.01 81.61 -45.96 104.18 82.83 -45.94 106.25 83.90 -44.93 105.82 2 0 13.11-999 ?-999 ?-999 ? O2 PO4 D 508 mVAL.F 160 82.46 -47.92 104.90 82.99 -48.32 105.64 81.64 -50.10 104.25 82.12 -50.52 105.31 81.95 -48.69 103.77 82.98 -48.74 102.59 3 0 13.23-999 ?-999 ?-999 ? O2 PO4 E 509 mHIS.F 161 80.83 -50.83 103.49 80.50 -50.37 102.67 81.80 -52.97 103.95 82.75 -52.68 103.21 80.50 -52.19 103.87 79.58 -52.83 102.82 3 0 13.34-999 ?-999 ?-999 ? O2 PO4 E 509 mARG.F 162 81.86 -53.95 104.85 81.03 -54.07 105.40 83.24 -55.73 103.84 82.28 -56.20 103.24 83.06 -54.76 105.01 82.98 -55.56 106.32 2 0 16.52-999 ?-999 ?-999 ? O2 PO4 E 509 mPHE.F 163 84.50 -55.99 103.51 85.17 -55.48 104.05 86.26 -57.43 102.79 87.01 -56.78 103.53 84.86 -56.94 102.46 84.80 -56.32 101.05 3 0 17.04-999 ?-999 ?-999 ? O2 PO4 E 509 mPRO.F 164 86.62 -58.62 102.28 85.93 -59.07 101.72 89.01 -58.40 101.79 88.76 -57.88 100.69 87.95 -59.18 102.55 87.84 -60.62 102.04 3 0 19.67-999 ?-999 ?-999 ? O3 PO4 E 504 mVAL^F 165 90.20 -58.33 102.38 90.24 -58.80 103.26 92.53 -58.60 101.81 92.92 -59.10 102.87 91.34 -57.65 101.78 91.67 -56.36 102.56 3 0 16.40-999 ?-999 ?-999 ? O2 PO4 F 502 mPHE^F 166 93.10 -58.85 100.64 92.69 -58.38 99.86 95.47 -59.08 100.02 95.42 -58.25 99.12 94.22 -59.76 100.53 93.91 -60.91 99.59 3 0 15.39-999 ?-999 ?-999 ? O2 PO4 F 502 mLEU^F 167 96.61 -59.46 100.61 96.49 -60.12 101.35 98.62 -60.15 99.63 98.86 -61.10 100.35 97.89 -58.94 100.18 98.67 -58.35 101.37 3 0 13.02-999 ?-999 ?-999 ? O2 PO4 F 502 mLEU^F 168 98.95 -60.11 98.34 98.68 -59.28 97.87 101.16 -61.00 97.75 101.64 -59.90 97.43 99.65 -61.21 97.71 99.21 -61.35 96.25 3 0 13.44-999 ?-999 ?-999 ? O2 PO4 F 502 mASP~F 169 101.89 -62.04 98.14 101.33 -62.84 98.36 103.90 -61.68 99.61 104.25 -60.52 99.86 103.36 -62.06 98.23 103.98 -61.15 97.18 2 0 14.23-999 ?-999 ?-999 ? O2 PO4 F 502 mARG~F 170 103.97 -62.67 100.50 103.69 -63.55 100.14 105.78 -61.78 102.05 105.92 -60.88 102.88 104.44 -62.47 101.87 104.51 -63.81 102.58 2 0 16.34-999 ?-999 ?-999 ? O2 PO4 F 502 mGLY~F 171 106.77 -62.22 101.28 106.53 -62.95 100.64 108.08 -60.17 101.08 108.78 -59.39 101.74 108.09 -61.65 101.39-999.99-999.99-999.99 1 0 16.33-999 ?-999 ?-999 ? O2 PO4 F 502 mTYR~F 172 107.28 -59.79 100.10 106.75 -60.53 99.68 106.50 -57.51 100.71 107.00 -56.42 101.02 107.20 -58.40 99.69 106.49 -58.31 98.35 3 0 12.62-999 ?-999 ?-999 ? O2 PO4 F 502 mTRP~F 173 105.36 -57.95 101.23 105.07 -58.85 100.90 105.21 -57.19 103.60 104.93 -56.33 104.43 104.61 -57.15 102.20 103.14 -57.61 102.25 3 0 12.49-999 ?-999 ?-999 ? O2 PO4 F 502 mGLU~F 174 106.04 -58.20 103.83 106.14 -58.81 103.05 106.93 -57.17 105.99 106.28 -57.00 107.02 106.73 -58.41 105.11 108.10 -59.03 104.81 2 0 15.94-999 ?-999 ?-999 ? O2 PO4 F 502 mGLY~F 175 107.86 -56.31 105.57 108.31 -56.57 104.71 106.99 -54.28 106.77 106.93 -53.87 107.93 108.18 -55.10 106.31-999.99-999.99-999.99 1 0 15.70-999 ?-999 ?-999 ? O2 PO4 F 502 mLEU~F 176 106.05 -54.04 105.87 106.22 -54.42 104.97 104.01 -54.00 107.25 103.59 -53.42 108.25 104.87 -53.26 106.22 104.04 -53.00 104.97 3 0 13.99-999 ?-999 ?-999 ? O2 PO4 F 502 mVAL~F 177 103.74 -55.27 107.02 104.13 -55.65 106.18 103.53 -56.01 109.34 102.82 -55.87 110.34 102.92 -56.03 107.95 102.72 -57.49 107.47 3 0 15.79-999 ?-999 ?-999 ? O3 PO4 E 504 mARG~F 178 104.85 -56.13 109.40 105.31 -56.23 108.52 105.43 -54.74 111.33 105.18 -54.63 112.53 105.53 -56.11 110.68 106.99 -56.54 110.52 2 0 16.77-999 ?-999 ?-999 ? O1 PO4 E 504 mTRP~F 179 105.61 -53.69 110.55 105.81 -53.88 109.59 104.11 -52.16 111.69 103.93 -51.52 112.73 105.52 -52.35 111.11 105.79 -51.31 110.04 3 0 13.77-999 ?-999 ?-999 ? O1 PO4 E 504 mLEU~F 180 103.10 -52.72 111.02 103.37 -53.22 110.19 101.54 -53.34 112.80 100.76 -52.90 113.65 101.72 -52.60 111.48 100.75 -53.16 110.45 3 0 11.61-999 ?-999 ?-999 ? O3 PO4 E 504 mALA~F 181 102.25 -54.45 112.96 102.80 -54.70 112.16 102.82 -54.30 115.26 102.37 -54.26 116.41 102.21 -55.22 114.19 103.06 -56.47 114.04 2 0 13.94-999 ?-999 ?-999 ? O3 PO4 E 504 mPHE~F 182 103.85 -53.56 114.87 104.14 -53.71 113.92 103.43 -51.57 116.21 103.29 -51.28 117.40 104.47 -52.62 115.79 105.66 -51.94 115.12 3 0 13.42-999 ?-999 ?-999 ? O1 PO4 E 504 mLEU~F 183 102.72 -51.00 115.25 102.94 -51.32 114.33 100.69 -50.58 116.53 100.16 -49.88 117.39 101.69 -49.99 115.55 100.96 -49.55 114.28 3 0 9.69-999 ?-999 ?-999 ? O1 PO4 E 504 mARG~F 184 100.41 -51.87 116.39 100.89 -52.35 115.65 100.12 -52.61 118.67 99.46 -52.45 119.69 99.46 -52.48 117.30 99.03 -53.85 116.79 2 0 10.96-999 ?-999 ?-999 ? O3 PO4 E 504 mASP~F 185 101.43 -52.86 118.72 101.88 -52.97 117.83 102.03 -51.63 120.72 101.82 -51.56 121.93 102.11 -52.97 120.01 103.58 -53.35 119.84 2 0 13.50-999 ?-999 ?-999 ? O2 PO4 E 504 mGLN~F 186 102.19 -50.56 119.95 102.34 -50.78 118.98 100.78 -48.72 120.84 100.63 -47.69 121.49 102.17 -49.19 120.46 102.71 -48.26 119.39 2 0 11.14-999 ?-999 ?-999 ? O2 PO4 E 504 mLYS.F 187 99.77 -49.47 120.42 100.06 -50.28 119.91 97.83 -48.04 119.79 96.88 -47.35 120.14 98.37 -49.15 120.68 98.16 -48.79 122.15 2 0 9.23-999 ?-999 ?-999 ? O2 PO4 E 504 mALA.F 188 98.45 -47.85 118.62 99.23 -48.45 118.46 96.76 -47.43 116.96 95.91 -46.70 116.48 97.97 -46.84 117.68 99.05 -46.48 116.68 2 0 5.79-999 ?-999 ?-999 ? O2 PO4 E 504 mVAL.F 189 96.70 -48.76 116.89 97.48 -49.24 117.30 94.92 -50.43 117.19 95.54 -50.89 118.15 95.58 -49.43 116.24 95.99 -50.19 114.95 3 0 6.61-999 ?-999 ?-999 ? O3 PO4 E 504 mGLY.F 190 93.67 -50.74 116.91 93.30 -50.30 116.10 93.39 -53.10 117.72 94.04 -53.54 116.77 92.91 -51.66 117.74-999.99-999.99-999.99 1 0 9.27-999 ?-999 ?-999 ? O3 PO4 E 504 mPRO.F 191 93.05 -53.86 118.78 92.51 -53.35 119.45 93.27 -56.13 117.74 94.15 -56.94 117.43 93.41 -55.27 118.98 92.45 -55.70 120.09 3 0 12.95-999 ?-999 ?-999 ? O3 PO4 E 504 mGLU~F 192 92.17 -55.95 117.02 91.55 -55.24 117.36 91.81 -55.96 114.52 91.07 -56.34 113.61 91.92 -56.74 115.83 90.67 -57.59 116.05 2 0 13.46-999 ?-999 ?-999 ? O3 PO4 E 504 mASP~F 193 92.55 -54.86 114.42 93.11 -54.64 115.22 93.39 -54.70 112.13 93.15 -54.50 110.94 92.52 -54.07 113.20 92.94 -52.63 113.48 2 0 10.43-999 ?-999 ?-999 ? O3 PO4 E 504 mLEU~F 194 94.40 -55.47 112.54 94.48 -55.55 113.53 94.57 -57.37 111.00 95.10 -58.05 110.10 95.28 -56.15 111.60 96.58 -56.57 112.28 3 0 12.47-999 ?-999 ?-999 ? O3 PO4 E 504 mGLN~F 195 93.38 -57.65 111.52 93.09 -57.04 112.25 91.73 -58.33 109.85 90.92 -59.09 109.33 92.58 -58.77 111.04 91.69 -59.30 112.16 2 0 15.20-999 ?-999 ?-999 ? O3 PO4 E 504 mLEU.F 196 91.92 -57.08 109.44 92.61 -56.58 109.96 91.73 -57.05 106.99 91.01 -57.09 106.00 91.19 -56.53 108.32 91.27 -55.00 108.34 3 0 13.93-999 ?-999 ?-999 ? O3 PO4 E 504 mPHE^F 197 92.99 -57.46 106.98 93.47 -57.39 107.85 94.17 -59.35 105.99 94.46 -59.72 107.12 93.60 -57.97 105.76 94.70 -57.02 105.28 3 0 15.94-999 ?-999 ?-999 ? O3 PO4 E 504 mARG^F 198 94.34 -60.10 104.90 94.07 -59.64 104.06 96.10 -61.55 104.05 96.18 -60.89 103.02 94.86 -61.46 104.95 93.79 -62.42 104.43 2 0 18.74-999 ?-999 ?-999 ? O2 PO4 F 502 mLEU^F 199 97.06 -62.38 104.43 96.89 -62.86 105.29 98.30 -63.90 102.93 98.02 -64.93 103.55 98.26 -62.54 103.62 99.51 -62.36 104.49 3 0 17.67-999 ?-999 ?-999 ? O2 PO4 F 502 mTHR^F 200 98.65 -63.91 101.65 98.83 -63.01 101.27 99.72 -65.06 99.72 100.02 -63.97 99.23 98.75 -65.16 100.89 97.40 -65.60 100.30 2 0 18.39-999 ?-999 ?-999 ? O2 PO4 F 502 mASP.F 201 100.21 -66.21 99.26 99.90 -67.02 99.76 100.44 -66.85 96.92 101.01 -66.90 95.84 101.11 -66.23 98.13 102.39 -67.01 98.45 2 0 18.15-999 ?-999 ?-999 ? O2 PO4 F 502 mGLU~F 202 99.20 -67.30 97.10 98.83 -67.15 98.02 97.20 -67.32 95.53 96.25 -67.14 96.28 98.48 -67.96 96.03 98.17 -69.40 96.44 2 0 19.73-999 ?-999 ?-999 ? O2 PO4 F 502 mPRO~F 203 97.17 -66.96 94.24 97.99 -67.14 93.71 94.76 -67.28 93.86 93.60 -66.85 93.87 95.95 -66.34 93.70 96.32 -66.10 92.24 3 0 18.64-999 ?-999 ?-999 ? O2 PO4 F 502 mGLU~F 204 95.04 -68.57 94.00 96.01 -68.80 93.99 93.34 -69.45 95.55 92.15 -69.68 95.71 93.97 -69.55 94.17 94.50 -70.98 93.96 2 0 22.35-999 ?-999 ?-999 ? O2 PO4 F 502 mGLU~F 205 94.15 -69.12 96.55 95.11 -68.97 96.29 92.75 -67.78 97.98 91.82 -67.73 98.79 93.65 -69.00 97.91 94.79 -68.85 98.91 2 0 22.43-999 ?-999 ?-999 ? O2 PO4 F 502 mVAL~F 206 93.01 -66.80 97.13 93.80 -66.96 96.54 90.82 -65.94 96.52 89.78 -65.57 97.07 92.19 -65.60 97.11 92.84 -64.49 96.26 3 0 19.94-999 ?-999 ?-999 ? O2 PO4 F 502 mVAL~F 207 90.82 -66.65 95.40 91.73 -66.91 95.06 88.75 -67.92 95.66 87.54 -67.75 95.78 89.57 -67.01 94.76 89.81 -67.69 93.40 3 0 22.21-999 ?-999 ?-999 ? O2 PO4 F 502 mGLN~F 208 89.40 -68.89 96.29 90.39 -68.93 96.12 87.99 -68.99 98.27 86.79 -69.13 98.49 88.67 -69.79 97.17 89.61 -70.83 97.78 2 0 25.28-999 ?-999 ?-999 ? O2 PO4 F 502 mALA~F 209 88.76 -68.14 98.93 89.71 -68.11 98.64 86.97 -66.55 99.57 85.94 -66.63 100.23 88.22 -67.32 100.00 89.29 -66.35 100.50 2 0 24.16-999 ?-999 ?-999 ? O2 PO4 F 502 mLEU~F 210 87.07 -65.83 98.45 87.96 -65.88 98.01 84.73 -65.88 97.58 83.60 -65.48 97.86 85.94 -65.04 97.93 86.36 -64.26 96.68 3 0 21.65-999 ?-999 ?-999 ? O2 PO4 E 509 mLYS~F 211 84.94 -67.02 96.95 85.90 -67.23 96.76 83.10 -68.32 97.84 81.88 -68.44 97.86 83.83 -67.89 96.58 84.33 -69.11 95.80 2 0 22.81-999 ?-999 ?-999 ? O2 PO4 E 509 mALA~F 212 83.87 -68.53 98.91 84.84 -68.36 98.75 82.51 -67.91 100.92 82.12 -68.11 102.06 83.32 -68.98 100.18 84.46 -69.47 101.07 2 0 24.39-999 ?-999 ?-999 ? O2 PO4 E 509 mGLU.F 213 82.26 -66.78 100.26 82.62 -66.75 99.33 80.38 -65.14 100.02 80.25 -65.58 98.85 81.51 -65.70 100.90 82.46 -64.57 101.25 2 0 21.11-999 ?-999 ?-999 ? O2 PO4 E 509