HEADER SUGAR BINDING PROTEIN 04-SEP-09 3JQ0 COMPND SUSD SUPERFAMILY PROTEIN; COMPND 3 CHAIN: A; COMPND 4 SYNONYM: PUTATIVE OUTER MEMBRANE PROTEIN, PROBABLY INVOLVED IN COMPND 5 NUTRIENT BINDING; COMPND 6 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: BACTEROIDES VULGATUS ATCC 8482; SOURCE 3 ORGANISM_TAXID: 435590; SOURCE 4 STRAIN: ATCC 8482 / DSM 1447 / NCTC 11154; SOURCE 5 GENE: BVU_2431, YP_001299712.1; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 7 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 8 EXPRESSION_SYSTEM_STRAIN: HK100; SOURCE 9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 10 EXPRESSION_SYSTEM_PLASMID: SPEEDET AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) HET MSE A 85 8 HET MSE A 106 8 HET MSE A 116 8 HET MSE A 141 13 HET MSE A 184 8 HET MSE A 218 8 HET MSE A 231 13 HET MSE A 274 8 HET MSE A 287 13 HET MSE A 294 8 HET MSE A 303 8 HET MSE A 377 8 HET MSE A 404 18 HET MSE A 454 8 HET MSE A 474 8 HET TRS A 1 8 HET GOL A 2 12 HET GOL A 3 6 HET GOL A 4 6 HET GOL A 5 6 HET SO4 A 6 5 HET SO4 A 7 10 HET SO4 A 8 5 HET CL A 9 1 SITE 1 AC1 9 PHE A 204 ARG A 208 ASP A 252 LYS A 270 SITE 1 AC2 7 ASN A 94 LYS A 95 ARG A 501 HOH A 673 SITE 1 AC3 11 HIS A 51 ALA A 52 ARG A 55 HIS A 209 SITE 1 AC4 7 SER A 364 TYR A 365 HOH A 713 HOH A 800 SITE 1 AC5 6 TYR A 336 TRP A 347 HOH A 598 HOH A 686 SITE 1 AC6 10 GLN A 230 GLY A 487 TRP A 488 HOH A 720 SITE 1 AC7 9 GLY A 381 SER A 382 THR A 383 HOH A 718 SITE 1 AC8 6 ARG A 341 ASN A 342 HOH A 529 HOH A 809 SITE 1 AC9 3 ARG A 341 ASN A 342 HOH A 868 mTRP.A 37 73.62 7.16 10.71 74.45 7.24 10.15 72.45 5.84 12.51 71.44 5.16 12.74 72.39 7.03 11.54 71.17 6.90 10.64 3 0 20.28-999 ?-999 ?-999 ? O3 GOL A 3 mLYS.A 38 73.63 5.59 13.09 74.38 6.16 12.75 73.70 5.16 15.57 73.51 4.40 16.52 73.80 4.59 14.14 75.16 3.90 13.95 2 0 22.63-999 ?-999 ?-999 ? O3 GOL A 3 mASN~A 39 73.79 6.48 15.72 73.82 6.98 14.85 72.63 8.09 17.12 72.34 8.82 16.16 73.84 7.16 17.02 75.16 7.96 17.16 2 0 20.22-999 ?-999 ?-999 ? O3 GOL A 3 mPRO~A 40 71.95 8.10 18.28 72.26 7.45 18.98 71.24 10.50 18.24 70.44 11.31 17.75 70.83 9.03 18.45 70.34 8.75 19.88 3 0 17.54-999 ?-999 ?-999 ? O3 GOL A 3 mASP~A 41 72.48 10.87 18.54 73.05 10.14 18.92 72.88 12.66 16.84 72.74 13.85 16.55 72.94 12.24 18.32 74.37 12.42 18.82 2 0 15.40-999 ?-999 ?-999 ? O3 GOL A 3 mGLN~A 42 72.98 11.72 15.91 73.11 10.79 16.27 71.46 12.43 14.11 71.27 13.33 13.27 72.91 12.02 14.49 73.40 10.83 13.66 2 0 15.49-999 ?-999 ?-999 ? O3 GOL A 3 mPHE~A 43 70.46 11.77 14.72 70.73 10.97 15.25 68.86 13.65 15.14 68.21 14.48 14.49 69.07 12.25 14.57 68.08 11.24 15.16 3 0 13.88-999 ?-999 ?-999 ? O3 GOL A 3 mTHR~A 44 69.40 13.92 16.33 69.89 13.15 16.74 69.89 16.29 16.00 69.29 17.34 15.75 69.29 15.23 16.94 69.99 15.26 18.29 2 0 11.04-999 ?-999 ?-999 ? O3 GOL A 3 mALA~A 45 71.09 16.01 15.47 71.45 15.11 15.72 71.00 17.17 13.33 70.90 18.29 12.83 71.79 16.95 14.61 73.20 16.43 14.29 2 0 10.72-999 ?-999 ?-999 ? O3 GOL A 3 mPHE~A 46 70.48 16.11 12.73 70.63 15.25 13.21 68.46 17.08 11.67 68.15 17.97 10.87 69.75 16.27 11.46 69.46 14.90 10.82 3 0 11.20-999 ?-999 ?-999 ? O3 GOL A 3 mASN~A 47 67.76 16.79 12.75 68.13 16.03 13.30 66.86 19.02 13.31 66.12 19.92 12.88 66.55 17.53 13.09 65.88 16.94 14.34 2 0 8.66-999 ?-999 ?-999 ? O3 GOL A 3 mTHR~A 48 67.97 19.28 14.01 68.47 18.48 14.33 68.68 21.31 12.90 68.31 22.47 12.67 68.40 20.63 14.25 69.62 20.64 15.20 2 0 5.98-999 ?-999 ?-999 ? O3 GOL A 3 mGLY~A 49 69.33 20.58 11.99 69.61 19.67 12.29 68.32 21.40 9.87 68.28 22.42 9.13 69.58 21.09 10.66-999.99-999.99-999.99 1 0 7.17-999 ?-999 ?-999 ? O2 GOL A 3 mLEU~A 50 67.29 20.57 9.99 67.47 19.77 10.56 65.45 22.18 9.79 64.96 23.00 9.01 66.00 20.85 9.30 64.98 19.76 9.56 3 0 7.39-999 ?-999 ?-999 ? O2 GOL A 3 mHIS~A 51 65.47 22.38 11.09 65.85 21.62 11.61 65.81 24.83 11.24 65.28 25.91 10.99 64.98 23.61 11.68 64.83 23.48 13.19 3 0 -4.10-999 ?-999 ?-999 ? O2 GOL A 3s mALA~A 52 67.12 24.65 11.09 67.45 23.74 11.36 67.67 26.01 9.12 67.65 27.18 8.71 67.98 25.71 10.57 69.48 25.34 10.76 2 0 -3.37-999 ?-999 ?-999 ? O2 GOL A 3s mLEU~A 53 67.35 24.99 8.31 67.43 24.08 8.70 65.62 26.04 6.89 65.47 26.95 6.07 66.91 25.24 6.94 66.76 23.94 6.18 3 0 6.64-999 ?-999 ?-999 ? O2 GOL A 3 mLEU~A 54 64.70 25.73 7.78 64.94 24.97 8.38 63.72 27.92 8.20 63.15 28.84 7.63 63.44 26.47 7.82 62.52 25.83 8.83 3 0 6.36-999 ?-999 ?-999 ? O2 GOL A 3 mARG~A 55 64.62 28.13 9.17 65.02 27.31 9.58 65.52 30.33 8.44 65.22 31.53 8.31 64.97 29.46 9.59 66.00 29.42 10.72 2 0 -4.74-999 ?-999 ?-999 ? O2 GOL A 3s mGLU~A 56 66.28 29.71 7.54 66.45 28.74 7.72 65.68 31.01 5.53 65.90 32.01 4.82 66.78 30.47 6.40 67.68 29.61 5.52 2 0 7.75-999 ?-999 ?-999 ? O2 GOL A 3 mLYS~A 57 64.50 30.41 5.55 64.48 29.61 6.16 62.43 31.83 5.47 61.42 32.21 4.91 63.35 30.84 4.77 62.54 29.64 4.28 2 0 9.92-999 ?-999 ?-999 ? O2 GOL A 3 mSER~A 58 62.82 32.27 6.66 63.68 31.87 6.96 61.64 34.45 6.59 60.47 34.87 6.59 62.03 33.26 7.43 62.95 33.83 8.58 2 0 9.39-999 ?-999 ?-999 ? C1 GOL A 3 mTYR~A 59 62.64 35.04 5.94 63.54 34.62 6.06 61.40 35.88 3.99 60.45 36.63 3.76 62.40 36.19 5.11 63.73 36.71 4.56 3 0 12.91-999 ?-999 ?-999 ? C1 GOL A 3 mASN~A 60 61.61 34.75 3.29 62.44 34.24 3.51 59.25 34.16 2.81 58.28 34.52 2.14 60.64 34.36 2.26 61.10 33.12 1.53 2 0 14.50-999 ?-999 ?-999 ? C1 GOL A 3 mPHE~A 61 59.09 33.63 4.02 59.94 33.36 4.47 57.10 34.85 4.77 55.91 35.01 4.53 57.74 33.49 4.59 57.77 32.71 5.92 3 0 13.36-999 ?-999 ?-999 ? C1 GOL A 3 mPHE~A 62 57.86 35.84 5.24 58.78 35.57 5.55 56.94 37.71 3.93 55.84 38.24 3.78 57.39 37.21 5.30 58.43 38.13 5.92 3 0 15.09-999 ?-999 ?-999 ? C1 GOL A 3 mLEU~A 63 57.81 37.56 2.94 58.66 37.08 3.17 56.27 37.46 1.01 55.48 38.14 0.33 57.51 38.08 1.62 58.69 37.88 0.65 3 0 18.02-999 ?-999 ?-999 ? C1 GOL A 3 mLEU~A 64 56.10 36.15 1.21 56.81 35.69 1.74 53.68 35.87 1.36 52.61 35.91 0.71 54.96 35.46 0.65 55.14 33.93 0.80 3 0 17.84-999 ?-999 ?-999 ? O1 SO4 A 6 mGLY~A 65 53.75 36.19 2.65 54.67 36.30 3.03 52.07 37.79 3.65 50.94 37.97 4.12 52.54 36.38 3.42-999.99-999.99-999.99 1 0 16.82-999 ?-999 ?-999 ? O1 SO4 A 6 mGLU~A 66 52.88 38.81 3.29 53.69 38.56 2.76 52.65 41.27 2.59 51.64 41.94 2.35 52.56 40.19 3.67 53.25 40.56 4.97 2 0 17.79-999 ?-999 ?-999 ? O1 SO4 A 6 mPRO.A 67 53.81 41.51 1.95 54.52 40.81 2.04 53.18 42.91 -0.11 53.19 44.03 -0.64 53.96 42.75 1.18 55.47 42.87 0.94 3 0 17.65-999 ?-999 ?-999 ? O1 AGOL A 2 mARG.A 68 52.52 41.88 -0.63 52.70 40.99 -0.19 50.30 42.78 -1.41 49.56 43.15 -2.31 51.62 42.10 -1.76 51.36 40.77 -2.50 2 0 14.83-999 ?-999 ?-999 ? O1 AGOL A 2 mALA.A 69 50.01 42.96 -0.12 50.70 42.61 0.51 48.99 45.12 0.41 49.65 45.68 -0.47 48.77 43.61 0.32 48.24 42.94 1.61 2 0 15.02-999 ?-999 ?-999 ? O1 SO4 A 6 mASP.A 70 48.42 45.78 1.42 48.16 45.19 2.19 49.07 48.00 2.39 48.97 49.24 2.46 48.20 47.21 1.40 46.72 47.53 1.64 2 0 17.45-999 ?-999 ?-999 ? O1 SO4 A 6 mILE.A 71 49.99 47.35 3.11 50.08 46.38 2.91 51.85 48.99 3.48 52.10 50.08 4.00 50.79 48.06 4.11 51.41 47.07 5.10 3 0 17.47-999 ?-999 ?-999 ? O1 GOL A 5 mTYR^A 72 52.47 48.51 2.42 52.08 47.65 2.07 53.23 49.81 0.49 52.08 49.75 0.07 53.60 49.17 1.80 54.79 48.19 1.60 3 0 18.66-999 ?-999 ?-999 ? O1 GOL A 5 mGLY^A 73 54.20 50.44 -0.18 55.07 50.50 0.32 54.48 52.42 -1.67 54.69 52.87 -2.80 54.02 50.99 -1.51-999.99-999.99-999.99 1 0 17.21-999 ?-999 ?-999 ? O1 AGOL A 2 mASP^A 74 54.70 53.15 -0.56 54.41 52.75 0.30 56.82 54.28 -1.01 57.44 53.25 -0.72 55.33 54.46 -0.68 55.12 55.32 0.57 2 0 16.73-999 ?-999 ?-999 ? C1 GOL A 4 mASN.A 75 57.43 55.32 -1.57 56.83 56.07 -1.86 59.52 55.37 -0.34 59.03 56.09 0.56 58.86 55.33 -1.72 59.35 56.54 -2.52 2 0 17.61-999 ?-999 ?-999 ? C1 GOL A 4 mPRO.A 76 60.61 54.65 -0.13 60.85 54.04 -0.88 61.58 56.26 1.50 62.12 57.05 0.70 61.36 54.79 1.13 62.65 54.04 0.83 3 0 17.54-999 ?-999 ?-999 ? C1 GOL A 4 mILE.A 77 61.19 56.64 2.70 60.85 55.91 3.30 62.71 58.54 3.11 62.93 59.74 2.89 61.27 58.02 3.08 60.52 58.34 4.38 3 0 14.33-999 ?-999 ?-999 ? C1 GOL A 4 mGLY.A 78 63.65 57.67 3.40 63.30 56.75 3.59 65.71 58.13 2.08 66.93 58.34 2.03 65.05 58.01 3.43-999.99-999.99-999.99 1 0 16.75-999 ?-999 ?-999 ? C1 GOL A 4 mGLY.A 79 64.96 57.92 1.00 64.03 57.61 1.20 66.06 56.92 -1.04 66.50 57.02 -2.17 65.49 58.13 -0.34-999.99-999.99-999.99 1 0 18.61-999 ?-999 ?-999 ? C1 GOL A 4 mGLU.A 80 66.06 55.77 -0.37 65.67 55.82 0.56 65.83 54.18 -2.24 64.61 54.22 -2.27 66.58 54.55 -0.98 66.47 53.37 -0.03 2 0 21.67-999 ?-999 ?-999 ? C1 GOL A 4 mALA.A 81 66.56 53.67 -3.22 67.54 53.84 -3.15 65.36 51.65 -3.73 65.99 50.97 -2.94 65.96 52.94 -4.31 67.01 52.61 -5.37 2 0 20.30-999 ?-999 ?-999 ? O1 AGOL A 2 mSER.A 82 64.14 51.28 -4.17 63.72 51.89 -4.83 63.97 48.81 -4.43 63.76 47.71 -3.94 63.52 50.05 -3.69 62.01 50.18 -3.65 2 0 17.91-999 ?-999 ?-999 ? O1 AGOL A 2 mGLN.A 83 64.66 48.96 -5.56 64.65 49.89 -5.93 64.53 46.66 -6.45 64.95 45.53 -6.21 65.38 47.87 -6.19 66.63 47.52 -5.43 2 0 16.60-999 ?-999 ?-999 ? O1 AGOL A 2 mGLY~A 84 63.30 46.90 -6.91 63.07 47.87 -6.96 61.48 45.39 -6.19 60.49 44.72 -6.45 62.38 45.85 -7.31-999.99-999.99-999.99 1 0 13.19-999 ?-999 ?-999 ? O1 AGOL A 2 mMETA 85 61.75 45.77 -4.94 62.58 46.31 -4.82 59.42 45.96 -4.10 58.43 45.36 -3.64 60.82 45.38 -3.86 61.35 45.80 -2.51 2 0 14.87-999 ?-999 ?-999 ? O1 AGOL A 2 mGLU~A 86 59.33 47.09 -4.79 60.20 47.46 -5.13 57.13 46.84 -5.86 55.91 47.07 -5.87 58.05 47.72 -5.03 58.25 49.08 -5.73 2 0 13.37-999 ?-999 ?-999 ? O1 AGOL A 2 mARG~A 87 57.66 45.87 -6.59 58.66 45.81 -6.53 55.85 44.18 -6.54 54.85 43.69 -7.06 56.83 44.97 -7.39 57.70 43.99 -8.19 2 0 9.99-999 ?-999 ?-999 ? O1 AGOL A 2 mLEU~A 88 56.17 44.02 -5.25 57.07 44.38 -5.00 54.02 44.23 -4.02 52.91 43.85 -4.41 55.24 43.35 -4.33 55.96 42.79 -3.10 3 0 12.29-999 ?-999 ?-999 ? O1 AGOL A 2 mPRO.A 89 54.18 45.40 -3.40 55.11 45.66 -3.14 52.25 46.63 -4.45 51.03 46.78 -4.44 52.96 46.20 -3.15 53.45 47.43 -2.36 3 0 13.83-999 ?-999 ?-999 ? O1 AGOL A 2 mPHE.A 90 52.97 46.83 -5.54 53.95 46.70 -5.41 51.78 46.03 -7.56 51.10 46.19 -8.57 52.34 47.22 -6.80 53.31 48.02 -7.68 3 0 10.83-999 ?-999 ?-999 ? O1 AGOL A 2 mASN.A 91 52.06 44.82 -7.10 52.61 44.81 -6.27 51.95 43.65 -9.26 51.12 43.42 -10.15 51.58 43.62 -7.77 50.10 43.35 -7.52 2 0 8.98-999 ?-999 ?-999 ? O1 AGOL A 2 mTHR.A 92 53.22 43.94 -9.50 53.76 44.13 -8.68 54.84 42.92 -11.05 55.57 42.91 -12.05 53.78 43.99 -10.84 54.32 45.38 -11.19 2 0 5.83-999 ?-999 ?-999 ? O1 AGOL A 2 mILE.A 93 54.93 41.94 -10.17 54.42 42.11 -9.33 55.18 40.06 -11.70 53.97 40.12 -12.00 55.71 40.72 -10.43 55.71 39.74 -9.22 3 0 6.67-999 ?-999 ?-999 ? O1 AGOL A 2 mASN.A 94 56.08 39.44 -12.45 57.00 39.43 -12.06 56.79 37.87 -14.13 57.72 37.60 -13.35 55.71 38.84 -13.74 55.44 39.92 -14.80 2 0 -4.67-999 ?-999 ?-999 ? O1 BGOL A 2s mLYS.A 95 56.66 37.28 -15.30 55.89 37.61 -15.85 59.04 36.66 -15.81 59.94 35.84 -15.76 57.59 36.22 -15.72 57.16 35.64 -17.08 2 0 -4.97-999 ?-999 ?-999 ? O3 BGOL A 2s mGLU.A 96 59.27 37.95 -15.96 58.43 38.50 -16.04 61.16 38.99 -14.67 62.36 39.11 -14.52 60.63 38.49 -16.01 60.74 39.62 -17.04 2 0 6.20-999 ?-999 ?-999 ? O3 BGOL A 2 mASN.A 97 60.28 39.26 -13.73 59.35 39.04 -14.03 59.71 39.15 -11.40 58.64 39.62 -11.08 60.59 39.83 -12.42 60.32 41.36 -12.38 2 0 8.21-999 ?-999 ?-999 ? O3 BGOL A 2 mVAL.A 98 60.15 38.00 -10.93 61.12 37.83 -11.08 59.04 37.32 -8.77 58.20 36.71 -8.15 59.26 37.07 -10.24 59.66 35.60 -10.46 3 0 9.54-999 ?-999 ?-999 ? O3 BGOL A 2 mGLY.A 99 59.86 38.19 -8.18 60.50 38.63 -8.80 60.63 37.43 -5.95 61.56 37.82 -5.24 59.80 38.44 -6.72-999.99-999.99-999.99 1 0 12.27-999 ?-999 ?-999 ? O1 BGOL A 2 mILE.A 100 60.25 36.15 -6.04 59.41 36.01 -6.57 61.10 33.94 -6.46 60.09 33.50 -7.00 60.97 35.05 -5.42 60.23 34.50 -4.17 3 0 14.98-999 ?-999 ?-999 ? O3 BGOL A 2 mSER~A 101 62.34 33.54 -6.74 63.06 34.02 -6.24 62.58 31.09 -7.05 62.72 30.91 -5.84 62.60 32.48 -7.69 63.92 32.74 -8.40 2 0 14.90-999 ?-999 ?-999 ? O3 BGOL A 2 mASN~A 102 62.41 30.09 -7.93 62.14 30.40 -8.84 61.87 28.24 -6.34 62.44 27.60 -5.44 62.61 28.68 -7.57 64.11 28.34 -7.44 2 0 17.11-999 ?-999 ?-999 ? O3 BGOL A 2 mTYR~A 103 60.61 28.62 -6.26 60.33 29.22 -7.00 60.33 28.52 -3.80 60.16 27.78 -2.82 59.74 28.16 -5.17 59.43 26.66 -5.29 3 0 18.07-999 ?-999 ?-999 ? O3 BGOL A 2 mGLY~A 104 61.00 29.65 -3.72 61.06 30.17 -4.58 62.67 29.15 -1.93 62.93 29.19 -0.74 61.59 30.07 -2.46-999.99-999.99-999.99 1 0 16.84-999 ?-999 ?-999 ? O2 GOL A 3 mASP~A 105 63.27 28.33 -2.79 62.96 28.47 -3.73 63.71 26.31 -1.43 64.46 25.72 -0.67 64.27 27.32 -2.42 65.59 27.93 -1.91 2 0 15.92-999 ?-999 ?-999 ? O2 GOL A 3 mMETA 106 62.40 26.09 -1.45 61.90 26.59 -2.15 62.00 23.68 -0.78 62.02 22.86 0.14 61.80 25.15 -0.47 60.34 25.50 -0.26 2 0 14.72-999 ?-999 ?-999 ? O2 GOL A 3 mTYR~A 107 62.21 23.33 -2.05 62.28 24.08 -2.70 63.54 21.23 -1.82 63.51 20.07 -1.46 62.30 21.91 -2.39 62.20 21.65 -3.87 3 0 17.07-999 ?-999 ?-999 ? O2 GOL A 3 mLYS~A 108 64.65 21.94 -1.69 64.59 22.88 -2.00 65.62 21.03 0.39 66.20 20.12 0.95 65.84 21.30 -1.12 67.05 22.16 -1.42 2 0 15.56-999 ?-999 ?-999 ? O2 GOL A 3 mILE~A 109 64.76 21.85 1.05 64.43 22.65 0.54 63.49 20.32 2.49 63.71 19.42 3.29 64.37 21.55 2.43 63.66 22.75 3.15 3 0 12.39-999 ?-999 ?-999 ? O2 GOL A 3 mILE~A 110 62.50 20.30 1.62 62.45 21.12 1.05 62.37 17.86 1.32 62.09 16.84 1.96 61.59 19.17 1.51 60.52 19.42 0.42 3 0 15.04-999 ?-999 ?-999 ? O2 GOL A 3 mASN~A 111 63.38 17.89 0.44 63.50 18.76 -0.03 64.82 16.21 1.51 64.78 15.01 1.82 64.22 16.73 0.20 65.28 17.12 -0.82 2 0 16.84-999 ?-999 ?-999 ? O2 GOL A 3 mGLN~A 112 65.40 17.13 2.30 65.40 18.07 1.96 64.94 16.20 4.57 65.18 15.26 5.30 65.99 16.71 3.57 66.82 17.87 4.19 2 0 14.20-999 ?-999 ?-999 ? O2 GOL A 3 mILE~A 113 63.77 16.84 4.64 63.69 17.64 4.05 62.33 14.93 5.11 62.10 14.07 5.96 62.70 16.37 5.51 61.46 17.30 5.45 3 0 13.77-999 ?-999 ?-999 ? O2 GOL A 3 mASN~A 114 62.20 14.70 3.81 62.35 15.50 3.22 62.85 12.30 3.76 62.48 11.19 4.17 61.85 13.37 3.32 61.73 13.37 1.81 2 0 17.57-999 ?-999 ?-999 ? O2 GOL A 3 mGLN~A 115 64.12 12.65 3.74 64.29 13.54 3.31 64.97 11.53 5.80 65.02 10.38 6.24 65.16 11.79 4.30 66.52 12.42 4.02 2 0 17.76-999 ?-999 ?-999 ? O2 GOL A 3 mMETA 116 64.73 12.59 6.58 64.73 13.49 6.13 63.30 11.46 8.23 63.35 10.59 9.11 64.48 12.39 8.00 64.21 13.74 8.69 2 0 15.54-999 ?-999 ?-999 ? O3 GOL A 3 mILE~A 117 62.21 11.63 7.48 62.26 12.37 6.82 61.43 9.29 7.43 61.08 8.40 8.23 61.04 10.77 7.65 59.86 11.17 6.74 3 0 17.68-999 ?-999 ?-999 ? O3 GOL A 3 mALA~A 118 62.12 9.05 6.34 62.34 9.85 5.78 63.42 7.06 7.10 63.17 5.95 7.62 62.50 7.65 6.04 63.15 7.58 4.70 2 0 20.82-999 ?-999 ?-999 ? O3 GOL A 3 mLYS~A 119 64.48 7.78 7.46 64.55 8.67 7.00 64.85 7.08 9.83 65.17 6.11 10.52 65.44 7.27 8.44 66.70 8.13 8.52 2 0 19.87-999 ?-999 ?-999 ? O3 GOL A 3 mTHR~A 120 63.98 8.00 10.23 63.80 8.72 9.57 62.31 6.80 11.57 62.16 6.14 12.59 63.35 7.93 11.54 62.74 9.28 11.91 2 0 18.41-999 ?-999 ?-999 ? O3 GOL A 3 mTHR~A 121 61.58 6.62 10.48 61.77 7.27 9.74 61.28 4.17 10.52 60.82 3.25 11.23 60.57 5.53 10.42 59.72 5.62 9.15 2 0 21.47-999 ?-999 ?-999 ? O3 GOL A 3 mGLU~A 122 62.44 4.05 9.86 62.73 4.91 9.44 63.99 2.43 11.01 64.27 1.26 11.28 63.21 2.78 9.75 64.22 2.88 8.60 2 0 23.82-999 ?-999 ?-999 ? O3 GOL A 3 mTHR~A 123 64.44 3.43 11.76 64.06 4.33 11.53 64.82 2.40 13.98 63.62 2.47 14.29 65.39 3.20 12.83 65.99 4.52 13.38 2 0 22.66-999 ?-999 ?-999 ? O3 GOL A 3 mTHR.A 124 65.73 1.65 14.62 66.62 1.64 14.17 66.23 1.44 17.06 66.14 0.86 18.16 65.45 0.90 15.86 65.72 -0.64 15.68 2 0 24.72-999 ?-999 ?-999 ? O3 GOL A 3 mILE.A 125 66.96 2.55 16.89 66.81 3.00 16.02 67.29 4.07 18.86 67.93 4.47 19.83 67.89 3.04 17.91 69.22 3.59 17.31 3 0 22.77-999 ?-999 ?-999 ? O3 GOL A 3 mLEU.A 126 66.07 4.57 18.55 65.67 4.20 17.71 64.29 5.01 20.27 63.67 3.99 19.93 65.40 5.57 19.39 64.80 6.66 18.48 3 0 20.32-999 ?-999 ?-999 ? O3 GOL A 3 mTHR~A 127 64.02 5.69 21.38 64.68 6.40 21.62 61.60 5.67 21.24 61.66 6.52 20.31 62.80 5.38 22.15 62.69 6.19 23.48 2 0 20.56-999 ?-999 ?-999 ? N TRS A 1 mGLU~A 128 60.52 4.95 21.44 60.65 4.19 22.09 58.88 6.72 20.90 58.49 7.32 19.87 59.26 5.24 20.80 58.15 4.38 21.41 2 0 20.80-999 ?-999 ?-999 ? N TRS A 1 mALA~A 129 58.96 7.32 22.09 59.30 6.74 22.82 59.46 9.67 21.43 58.99 10.64 20.84 58.57 8.74 22.26 58.60 9.19 23.72 2 0 17.01-999 ?-999 ?-999 ? N TRS A 1 mTHR~A 130 60.75 9.36 21.35 61.00 8.52 21.85 61.44 10.08 19.10 61.40 11.07 18.38 61.69 10.20 20.59 63.12 9.89 21.02 2 0 16.56-999 ?-999 ?-999 ? O3 GOL A 3 mGLN~A 131 61.30 8.85 18.63 61.43 8.14 19.33 59.69 9.26 16.82 59.64 9.96 15.79 60.99 8.54 17.25 60.87 7.02 17.07 2 0 17.75-999 ?-999 ?-999 ? O3 GOL A 3 mASN~A 132 58.65 9.11 17.62 58.82 8.55 18.43 57.47 11.26 17.27 56.82 11.89 16.45 57.36 9.74 17.31 56.30 9.27 18.31 2 0 17.96-999 ?-999 ?-999 ? O3 GOL A 3 mTYR~A 133 58.21 11.84 18.20 58.67 11.21 18.83 58.97 13.80 16.95 58.52 14.77 16.35 58.32 13.28 18.24 59.08 13.79 19.48 3 0 14.52-999 ?-999 ?-999 ? O3 GOL A 3 mTYR~A 134 60.06 13.14 16.53 60.36 12.39 17.11 59.77 13.40 14.09 59.76 14.28 13.22 60.71 13.55 15.29 61.96 12.75 15.01 3 0 13.07-999 ?-999 ?-999 ? O3 GOL A 3 mLEU~A 135 58.98 12.34 14.02 59.08 11.69 14.78 56.97 13.24 12.98 56.60 13.78 11.93 58.06 12.16 12.92 57.46 10.75 12.93 3 0 15.78-999 ?-999 ?-999 ? O3 GOL A 3 mGLY~A 136 56.49 13.57 14.19 56.85 13.05 14.96 56.06 15.92 13.72 55.39 16.63 12.93 55.49 14.64 14.30-999.99-999.99-999.99 1 0 15.07-999 ?-999 ?-999 ? O3 GOL A 3 mGLU~A 137 57.31 16.21 14.04 57.76 15.55 14.65 58.18 17.37 12.02 57.93 18.40 11.33 57.95 17.40 13.52 59.26 17.67 14.25 2 0 11.55-999 ?-999 ?-999 ? O3 GOL A 3 mALA~A 138 58.66 16.25 11.49 58.75 15.48 12.13 57.78 16.22 9.19 57.74 16.97 8.21 59.02 16.17 10.10 59.87 14.93 9.83 2 0 13.00-999 ?-999 ?-999 ? O3 GOL A 3 mTYR~A 139 56.77 15.42 9.52 56.94 14.81 10.30 54.91 16.90 8.84 54.36 17.40 7.85 55.51 15.48 8.75 54.55 14.42 9.24 3 0 16.10-999 ?-999 ?-999 ? O3 GOL A 3 mGLY~A 140 54.96 17.51 10.02 55.41 16.99 10.74 55.11 19.88 9.35 54.47 20.69 8.66 54.38 18.85 10.19-999.99-999.99-999.99 1 0 14.02-999 ?-999 ?-999 ? C1 GOL A 3 mMETA 141 56.46 19.85 9.39 56.86 19.17 9.99 57.02 20.59 7.10 56.98 21.57 6.32 57.24 20.79 8.59 58.71 20.68 8.94 2 0 11.54-999 ?-999 ?-999 ? C1 GOL A 3 mARG~A 142 56.87 19.33 6.66 56.94 18.61 7.35 55.29 19.74 4.81 55.21 20.45 3.80 56.62 19.10 5.25 56.66 17.60 4.90 2 0 14.79-999 ?-999 ?-999 ? C1 GOL A 3 mALA~A 143 54.25 19.50 5.59 54.45 18.91 6.37 53.02 21.62 5.32 52.40 22.28 4.50 52.93 20.09 5.32 51.93 19.60 6.35 2 0 16.54-999 ?-999 ?-999 ? C1 GOL A 3 mTYR~A 144 53.78 22.18 6.27 54.23 21.52 6.87 54.49 24.25 5.14 53.99 25.25 4.61 53.91 23.62 6.40 54.81 23.90 7.63 3 0 13.89-999 ?-999 ?-999 ? C1 GOL A 3 mLEU~A 145 55.54 23.65 4.60 55.87 22.84 5.10 55.22 23.99 2.19 55.06 24.92 1.41 56.16 24.15 3.39 57.52 23.49 3.14 3 0 14.28-999 ?-999 ?-999 ? C1 GOL A 3 mTYR~A 146 54.60 22.83 2.06 54.83 22.13 2.73 52.49 23.60 1.05 51.93 23.97 -0.01 53.67 22.64 0.98 53.19 21.19 0.84 3 0 17.99-999 ?-999 ?-999 ? C1 GOL A 3 mPHE~A 147 52.08 24.04 2.25 52.60 23.67 3.03 51.37 26.40 1.95 50.57 27.11 1.34 50.97 24.98 2.39 50.41 24.92 3.80 3 0 16.56-999 ?-999 ?-999 ? O3 SO4 A 6 mHIS~A 148 52.62 26.82 2.19 53.15 26.25 2.82 53.12 27.89 0.03 52.73 28.79 -0.72 53.13 28.04 1.54 54.54 28.37 2.00 3 0 17.05-999 ?-999 ?-999 ? O3 SO4 A 6 mLEU~A 149 53.58 26.74 -0.46 53.88 26.08 0.23 52.23 26.55 -2.55 52.03 27.15 -3.59 53.62 26.51 -1.92 54.34 25.17 -2.26 3 0 17.29-999 ?-999 ?-999 ? O3 SO4 A 6 mLEU~A 150 51.26 25.90 -1.89 51.55 25.45 -1.05 49.31 27.29 -2.54 48.76 27.65 -3.56 49.87 25.87 -2.41 48.99 25.10 -1.44 3 0 14.11-999 ?-999 ?-999 ? O3 SO4 A 6 mARG~A 151 49.46 28.10 -1.49 49.98 27.71 -0.73 49.58 30.39 -2.40 49.01 31.38 -2.85 48.88 29.43 -1.46 48.85 29.97 -0.03 2 0 11.97-999 ?-999 ?-999 ? O3 SO4 A 6 mSER~A 152 50.85 30.10 -2.69 51.14 29.21 -2.34 51.81 30.65 -4.92 51.65 31.49 -5.78 51.71 31.02 -3.45 53.08 31.14 -2.78 2 0 14.19-999 ?-999 ?-999 ? O1 SO4 A 6 mTRP~A 153 52.12 29.38 -5.22 52.24 28.81 -4.41 51.13 27.97 -7.09 51.01 27.84 -8.30 52.27 28.86 -6.58 53.63 28.20 -6.77 3 0 15.41-999 ?-999 ?-999 ? O1 SO4 A 6 mGLY~A 154 50.30 27.42 -6.20 50.56 27.58 -5.25 49.46 25.21 -6.89 49.69 24.42 -5.99 49.11 26.66 -6.63-999.99-999.99-999.99 1 0 13.38-999 ?-999 ?-999 ? O3 SO4 A 6 mASP.A 155 49.43 24.84 -8.19 49.14 25.56 -8.82 51.32 23.37 -8.57 52.01 24.17 -9.16 49.79 23.50 -8.64 49.38 23.25 -10.09 2 0 11.43-999 ?-999 ?-999 ? O1 BSO4 A 7 mVAL.A 156 51.83 22.40 -7.82 51.14 21.80 -7.41 53.61 20.75 -7.65 52.74 19.90 -7.45 53.26 22.24 -7.64 53.76 22.91 -6.31 3 0 14.14-999 ?-999 ?-999 ? O1 ASO4 A 7 mVAL.A 157 54.88 20.44 -7.86 55.49 21.21 -8.05 55.24 18.55 -6.40 55.70 19.19 -5.45 55.35 19.07 -7.82 56.79 18.95 -8.35 3 0 15.31-999 ?-999 ?-999 ? O1 ASO4 A 7 mLEU.A 158 54.68 17.35 -6.26 54.27 16.98 -7.09 55.88 15.73 -4.92 55.87 14.59 -5.39 54.66 16.66 -4.97 53.34 15.92 -4.75 3 0 16.35-999 ?-999 ?-999 ? O1 ASO4 A 7 mTYR.A 159 56.94 16.23 -4.31 56.79 17.16 -3.96 58.19 14.95 -2.75 58.21 15.69 -1.74 58.19 15.55 -4.16 59.33 16.53 -4.35 3 0 19.80-999 ?-999 ?-999 ? O1 ASO4 A 7 mLEU.A 160 58.15 13.63 -2.69 58.20 13.17 -3.58 59.20 11.91 -1.24 59.27 11.30 -0.19 58.03 12.90 -1.43 56.66 12.20 -1.37 3 0 21.78-999 ?-999 ?-999 ? O1 ASO4 A 7 mASP.A 161 60.17 11.90 -2.16 59.94 12.53 -2.91 62.61 11.88 -1.59 62.51 13.10 -1.32 61.44 11.09 -2.13 61.75 10.67 -3.55 2 0 22.78-999 ?-999 ?-999 ? O2 GOL A 3 mTYR.A 162 63.75 11.22 -1.41 63.70 10.22 -1.53 66.10 11.36 -1.86 66.00 10.26 -2.42 64.96 11.92 -1.06 65.26 11.85 0.43 3 0 20.92-999 ?-999 ?-999 ? O2 GOL A 3 mTHR.A 163 67.20 12.10 -1.88 67.15 12.91 -1.29 69.62 11.25 -1.93 70.33 10.35 -2.42 68.39 11.74 -2.71 68.79 12.94 -3.59 2 0 22.23-999 ?-999 ?-999 ? O2 GOL A 3 mGLU.A 164 69.93 11.85 -0.78 69.23 12.50 -0.46 71.30 10.12 0.45 70.35 9.57 1.08 71.19 11.57 -0.06 71.39 12.59 1.07 2 0 20.97-999 ?-999 ?-999 ? O2 GOL A 3 mLYS.A 175 57.20 14.05 -12.48 56.55 13.34 -12.20 57.46 16.50 -12.97 58.09 17.55 -12.70 58.16 15.11 -12.88 58.83 14.74 -14.23 2 0 16.75-999 ?-999 ?-999 ? O1 ASO4 A 7 mGLY.A 176 56.20 16.50 -13.41 55.89 15.59 -13.70 54.51 17.90 -12.21 54.46 17.09 -11.31 55.34 17.67 -13.47-999.99-999.99-999.99 1 0 13.59-999 ?-999 ?-999 ? O1 ASO4 A 7 mVAL.A 177 53.82 19.00 -12.20 53.89 19.51 -13.07 51.81 18.56 -10.81 51.26 17.94 -11.75 53.03 19.45 -11.06 52.63 20.95 -11.17 3 0 11.92-999 ?-999 ?-999 ? O1 ASO4 A 7 mSER.A 178 51.34 18.56 -9.56 51.97 18.97 -8.90 49.05 19.16 -9.06 49.42 20.28 -8.68 50.04 18.01 -9.19 50.14 17.24 -7.89 2 0 10.04-999 ?-999 ?-999 ? O1 ASO4 A 7 mPRO~A 179 47.78 18.89 -9.35 47.59 17.96 -9.69 46.71 20.37 -7.69 46.92 19.55 -6.76 46.77 19.92 -9.15 45.45 19.26 -9.60 3 0 7.81-999 ?-999 ?-999 ? O1 ASO4 A 7 mALA~A 180 46.35 21.64 -7.49 46.20 22.15 -8.34 45.37 21.31 -5.21 45.70 21.16 -4.03 46.20 22.22 -6.15 45.59 23.63 -6.23 2 0 10.46-999 ?-999 ?-999 ? O1 BSO4 A 7 mTHR~A 181 44.29 20.71 -5.73 44.09 20.95 -6.68 44.32 18.61 -4.35 44.16 18.23 -3.18 43.50 19.78 -4.90 42.29 19.25 -5.68 2 0 10.13-999 ?-999 ?-999 ? O3 ASO4 A 7 mGLU~A 182 45.17 18.04 -5.18 45.17 18.41 -6.11 47.12 17.43 -3.84 47.51 16.72 -2.91 46.02 16.95 -4.76 46.61 16.20 -5.95 2 0 11.09-999 ?-999 ?-999 ? O3 ASO4 A 7 mVAL~A 183 47.63 18.66 -4.06 47.33 19.11 -4.90 47.94 19.36 -1.73 48.52 18.97 -0.71 48.56 19.25 -3.11 49.11 20.61 -3.63 3 0 13.68-999 ?-999 ?-999 ? O1 BSO4 A 7 mMETA 184 46.71 19.88 -1.66 46.34 20.18 -2.54 45.73 18.64 0.23 45.85 18.48 1.44 46.01 19.98 -0.39 44.71 20.82 -0.53 2 0 15.14-999 ?-999 ?-999 ? O1 BSO4 A 7 mGLU~A 185 45.38 17.63 -0.57 45.24 17.89 -1.53 46.49 15.77 0.65 46.45 15.17 1.71 45.22 16.28 -0.05 44.81 15.32 -1.21 2 0 14.98-999 ?-999 ?-999 ? O3 ASO4 A 7 mGLN~A 186 47.65 16.05 0.04 47.58 16.54 -0.83 49.21 16.42 1.92 49.67 15.83 2.91 48.92 15.65 0.63 50.06 15.82 -0.38 2 0 17.26-999 ?-999 ?-999 ? O3 ASO4 A 7 mILE~A 187 48.93 17.72 1.92 48.61 18.08 1.05 48.25 17.88 4.26 48.74 17.73 5.39 49.08 18.51 3.12 48.69 20.00 2.86 3 0 19.42-999 ?-999 ?-999 ? O3 SO4 A 6 mLYS~A 188 47.00 17.56 3.96 46.73 17.76 3.02 46.62 15.60 5.44 46.51 15.26 6.62 46.12 16.97 4.96 44.69 16.90 4.47 2 0 19.79-999 ?-999 ?-999 ? O3 SO4 A 6 mLYS~A 189 47.18 14.80 4.53 47.18 15.16 3.59 48.92 13.67 5.84 49.06 12.93 6.81 47.74 13.51 4.90 48.17 12.75 3.64 2 0 20.81-999 ?-999 ?-999 ? O3 ASO4 A 7 mASP~A 190 49.78 14.64 5.53 49.58 15.16 4.70 50.52 15.48 7.74 51.15 15.16 8.75 50.94 14.90 6.39 51.91 15.79 5.65 2 0 20.24-999 ?-999 ?-999 ? C1 GOL A 3 mILE~A 191 49.51 16.35 7.77 49.15 16.61 6.87 48.48 15.68 9.89 48.75 15.60 11.10 48.99 16.87 9.03 47.88 17.91 8.80 3 0 19.61-999 ?-999 ?-999 ? C1 GOL A 3 mGLN~A 192 47.72 14.77 9.26 47.54 14.96 8.30 48.39 12.78 10.53 48.37 12.34 11.67 47.22 13.61 9.99 46.29 12.79 9.08 2 0 22.66-999 ?-999 ?-999 ? C1 GOL A 3 mALA~A 193 49.39 12.51 9.69 49.27 12.87 8.76 51.25 12.42 11.29 51.68 11.79 12.26 50.55 11.74 10.11 51.51 11.48 8.97 2 0 21.36-999 ?-999 ?-999 ? O3 GOL A 3 mSER~A 194 51.38 13.75 11.20 51.00 14.15 10.37 51.28 14.42 13.57 51.87 14.11 14.61 52.05 14.53 12.25 52.16 15.98 11.81 2 0 17.97-999 ?-999 ?-999 ? O3 GOL A 3 mGLU~A 195 49.99 14.73 13.53 49.64 14.93 12.62 49.14 13.36 15.38 49.14 13.22 16.60 49.21 14.76 14.77 47.85 15.40 14.57 2 0 18.21-999 ?-999 ?-999 ? C3 TRS A 1 mASN~A 196 49.07 12.34 14.53 49.05 12.58 13.56 50.34 10.58 15.72 50.35 9.92 16.75 49.04 10.97 15.05 48.72 10.00 13.93 2 0 20.47-999 ?-999 ?-999 ? C3 TRS A 1 mALA~A 197 51.46 11.02 15.15 51.31 11.53 14.30 52.92 11.48 17.11 53.40 10.89 18.07 52.79 10.75 15.75 53.91 11.18 14.81 2 0 19.07-999 ?-999 ?-999 ? C3 TRS A 1 mPHE~A 198 52.53 12.75 17.19 52.18 13.15 16.35 51.67 12.89 19.49 51.99 12.90 20.70 52.65 13.46 18.47 52.34 14.94 18.26 3 0 15.40-999 ?-999 ?-999 ? C3 TRS A 1 mGLY~A 199 50.49 12.50 19.05 50.37 12.51 18.05 49.07 13.21 20.94 49.03 14.39 20.59 49.47 12.09 19.99-999.99-999.99-999.99 1 0 16.76-999 ?-999 ?-999 ? O3 TRS A 1 mSER.A 200 48.65 12.93 22.18 48.91 12.02 22.51 48.54 14.85 23.99 47.91 15.75 24.59 47.85 13.93 22.95 46.72 13.18 23.65 2 0 14.76-999 ?-999 ?-999 ? O3 TRS A 1 mASP.A 201 49.82 14.61 24.24 50.19 13.83 23.74 51.25 16.57 24.40 52.12 16.35 23.56 50.59 15.43 25.17 51.61 14.55 25.89 2 0 11.37-999 ?-999 ?-999 ? O3 TRS A 1 mTYR.A 202 50.78 17.79 24.62 50.10 17.85 25.35 52.50 19.63 24.39 52.65 20.83 24.25 51.25 18.93 23.81 50.08 19.91 23.57 3 0 9.03-999 ?-999 ?-999 ? O3 TRS A 1 mSER.A 203 53.43 18.87 24.99 53.26 17.88 25.00 55.47 20.03 24.45 55.53 19.50 23.34 54.59 19.48 25.58 55.40 18.42 26.34 2 0 6.33-999 ?-999 ?-999 ? O3 TRS A 1 mPHE.A 204 56.23 21.07 24.75 56.05 21.45 25.65 58.51 20.83 24.19 59.43 21.38 24.80 57.24 21.58 23.81 57.39 23.10 23.97 3 0 -5.23-999 ?-999 ?-999 ? C3 TRS A 1s mLYS.A 205 58.57 19.56 23.78 57.82 19.28 23.18 61.01 19.18 23.78 61.97 19.00 24.50 59.65 18.66 24.18 59.44 17.27 23.59 2 0 7.32-999 ?-999 ?-999 ? N TRS A 1 mLEU.A 206 61.09 19.83 22.61 60.23 19.91 22.11 62.31 21.93 22.10 63.15 22.56 21.45 62.34 20.39 22.12 62.64 19.84 20.76 3 0 8.10-999 ?-999 ?-999 ? C2 TRS A 1 mGLY.A 207 61.36 22.49 22.84 60.77 21.84 23.30 60.26 24.54 21.92 59.92 23.91 20.92 61.22 23.95 22.95-999.99-999.99-999.99 1 0 4.92-999 ?-999 ?-999 ? C2 TRS A 1 mARG.A 208 59.89 25.79 22.17 60.29 26.19 23.00 59.60 26.92 19.99 58.88 27.35 19.09 58.95 26.50 21.29 58.37 27.70 22.02 2 0 -5.42-999 ?-999 ?-999 ? C2 TRS A 1s mHIS.A 209 60.92 26.82 19.89 61.29 26.55 20.79 61.79 25.87 17.77 62.38 25.96 16.71 61.82 27.05 18.73 63.33 27.17 19.16 3 0 -3.83-999 ?-999 ?-999 ? O1 GOL A 3s mPHE.A 210 61.23 24.73 18.20 60.86 24.79 19.13 59.70 23.20 17.19 58.83 23.55 17.98 61.17 23.51 17.42 61.89 22.33 18.11 3 0 -5.14-999 ?-999 ?-999 ? O3 GOL A 3s mTRP.A 211 59.41 22.49 16.09 60.19 22.22 15.53 57.45 21.25 16.87 58.16 20.48 17.52 58.05 22.14 15.77 57.97 21.48 14.38 3 0 8.29-999 ?-999 ?-999 ? O1 GOL A 3 mSER~A 212 56.14 21.33 17.08 55.68 21.89 16.39 54.03 20.34 17.80 53.53 20.77 16.74 55.46 20.66 18.20 55.44 21.58 19.43 2 0 10.56-999 ?-999 ?-999 ? C3 TRS A 1 mALA~A 213 53.32 19.64 18.67 53.80 19.39 19.51 51.03 20.49 18.20 50.15 20.47 17.33 51.94 19.28 18.41 51.38 18.39 19.51 2 0 12.00-999 ?-999 ?-999 ? C3 TRS A 1 mALA~A 214 51.26 21.56 18.97 52.02 21.48 19.61 50.73 23.45 17.51 49.84 24.06 16.95 50.44 22.73 18.83 50.61 23.68 20.02 2 0 11.20-999 ?-999 ?-999 ? C3 TRS A 1 mALA~A 215 51.96 23.38 17.02 52.62 22.92 17.62 51.50 23.19 14.62 50.91 23.79 13.70 52.28 23.93 15.72 53.78 23.89 15.42 2 0 12.38-999 ?-999 ?-999 ? O1 GOL A 3 mTHR~A 216 51.46 21.85 14.70 52.02 21.45 15.43 49.17 21.45 13.85 48.51 21.55 12.81 50.66 21.07 13.75 50.85 19.56 13.95 2 0 15.13-999 ?-999 ?-999 ? O1 GOL A 3 mGLN~A 217 48.61 21.65 15.04 49.23 21.50 15.81 46.93 23.43 14.56 45.92 23.63 13.93 47.21 22.04 15.15 46.69 21.92 16.57 2 0 16.13-999 ?-999 ?-999 ? C3 TRS A 1 mMETA 218 47.88 24.38 14.73 48.64 24.13 15.32 47.70 25.52 12.58 46.84 26.09 11.90 47.75 25.68 14.09 48.93 26.59 14.46 2 0 16.41-999 ?-999 ?-999 ? C3 TRS A 1 mLEU~A 219 48.64 24.78 12.02 49.29 24.38 12.67 47.44 23.86 10.10 46.88 24.19 9.06 48.71 24.57 10.58 49.94 23.76 10.24 3 0 16.48-999 ?-999 ?-999 ? O1 GOL A 3 mLYS~A 220 46.98 22.89 10.86 47.55 22.70 11.67 44.56 23.16 10.44 43.76 23.12 9.50 45.73 22.18 10.53 45.48 21.10 11.56 2 0 19.37-999 ?-999 ?-999 ? O3 SO4 A 6 mGLY~A 221 44.45 24.05 11.42 45.13 23.97 12.15 43.50 25.91 10.14 42.49 26.17 9.45 43.39 25.03 11.39-999.99-999.99-999.99 1 0 17.77-999 ?-999 ?-999 ? O3 SO4 A 6 mGLU~A 222 44.72 26.35 9.81 45.48 26.08 10.40 44.50 26.42 7.37 43.85 26.97 6.46 44.88 27.17 8.63 46.32 27.68 8.48 2 0 15.26-999 ?-999 ?-999 ? O3 SO4 A 6 mALA~A 223 44.94 25.18 7.26 45.42 24.84 8.07 43.24 24.08 5.84 42.74 24.17 4.71 44.73 24.39 6.05 45.51 23.07 6.12 2 0 14.57-999 ?-999 ?-999 ? O3 SO4 A 6 mTYR~A 224 42.51 23.76 6.92 43.00 23.73 7.79 40.29 24.76 6.59 39.24 24.72 5.92 41.10 23.48 6.78 40.60 22.56 7.90 3 0 14.27-999 ?-999 ?-999 ? O3 SO4 A 6 mLEU~A 225 40.71 25.91 7.14 41.45 25.84 7.81 40.23 27.39 5.23 39.26 27.76 4.54 40.07 27.15 6.73 40.66 28.36 7.49 3 0 11.95-999 ?-999 ?-999 ? O3 SO4 A 6 mTRP~A 226 41.43 27.15 4.71 42.11 26.79 5.35 40.90 26.44 2.44 40.22 26.85 1.48 41.72 27.39 3.33 43.20 27.19 3.02 3 0 9.62-999 ?-999 ?-999 ? O3 SO4 A 6 mSER~A 227 40.89 25.15 2.76 41.51 24.93 3.52 38.58 24.60 2.08 37.85 24.55 1.09 40.06 24.15 2.08 40.23 22.82 2.84 2 0 10.50-999 ?-999 ?-999 ? O3 SO4 A 6 mGLY~A 228 38.15 24.99 3.28 38.84 25.03 3.99 36.29 26.52 2.64 35.21 26.50 2.07 36.75 25.32 3.49-999.99-999.99-999.99 1 0 10.20-999 ?-999 ?-999 ? O3 SO4 A 6 mARG~A 229 37.13 27.57 2.60 38.02 27.41 3.01 37.21 28.96 0.54 36.48 29.57 -0.26 36.76 28.83 1.98 37.30 29.96 2.86 2 0 6.78-999 ?-999 ?-999 ? O3 SO4 A 6 mGLN~A 230 38.38 28.43 0.23 38.83 27.97 1.00 38.73 27.32 -1.99 38.95 27.41 -3.18 38.95 28.53 -1.10 40.46 28.85 -1.06 2 0 -4.99-999 ?-999 ?-999 ? O3 SO4 A 6s mMETA 231 38.36 26.17 -1.42 38.18 26.23 -0.44 36.90 24.24 -1.93 36.80 23.01 -2.02 38.23 24.94 -2.19 39.41 24.00 -1.90 2 0 7.84-999 ?-999 ?-999 ? O3 SO4 A 6 mASN~A 232 35.87 25.02 -1.63 36.12 25.98 -1.48 34.26 23.56 -0.40 33.24 22.84 -0.38 34.49 24.53 -1.54 33.99 23.90 -2.87 2 0 8.88-999 ?-999 ?-999 ? O3 SO4 A 6 mGLY~A 233 35.13 23.51 0.59 35.89 24.15 0.51 33.74 22.89 2.56 33.03 22.01 3.05 34.93 22.54 1.68-999.99-999.99-999.99 1 0 11.66-999 ?-999 ?-999 ? O3 SO4 A 6 mGLY~A 234 33.48 24.16 2.76 34.13 24.77 2.31 32.44 24.19 5.03 33.53 24.06 5.62 32.36 24.61 3.57-999.99-999.99-999.99 1 0 11.92-999 ?-999 ?-999 ? O3 SO4 A 6 mASN~A 235 31.26 24.08 5.63 30.47 24.01 5.02 31.86 22.89 7.71 32.41 23.04 8.81 31.14 24.05 7.06 29.67 24.11 7.48 2 0 15.09-999 ?-999 ?-999 ? O3 SO4 A 6 mSER~A 236 31.88 21.71 7.07 31.42 21.66 6.19 34.08 20.87 7.85 34.69 20.47 8.85 32.56 20.61 7.69 32.28 19.34 6.94 2 0 17.20-999 ?-999 ?-999 ? O3 SO4 A 6 mASP~A 237 34.67 21.54 6.89 34.08 21.73 6.11 36.26 23.06 8.05 37.23 23.03 8.79 36.08 21.95 7.00 36.63 22.41 5.67 2 0 15.10-999 ?-999 ?-999 ? O3 SO4 A 6 mTYR~A 238 35.33 24.02 8.13 34.61 23.97 7.43 35.31 24.44 10.56 36.00 24.90 11.49 35.40 25.06 9.18 34.31 26.09 8.97 3 0 14.99-999 ?-999 ?-999 ? O3 SO4 A 6 mTHR~A 239 34.49 23.40 10.72 33.96 23.15 9.91 35.72 22.04 12.38 36.20 22.13 13.50 34.41 22.71 12.00 33.24 21.70 12.00 2 0 18.73-999 ?-999 ?-999 ? O3 SO4 A 6 mILE~A 240 36.35 21.35 11.41 35.85 21.28 10.55 38.67 21.85 12.06 39.46 21.67 12.97 37.67 20.77 11.65 38.15 19.93 10.43 3 0 19.30-999 ?-999 ?-999 ? O3 SO4 A 6 mALA~A 241 38.66 22.95 11.33 38.00 22.95 10.58 39.33 24.59 13.06 40.30 24.79 13.81 39.55 24.06 11.65 39.39 25.20 10.62 2 0 17.60-999 ?-999 ?-999 ? O3 SO4 A 6 mLYS~A 242 38.08 24.86 13.40 37.41 24.70 12.68 38.29 24.42 15.80 38.90 24.83 16.77 37.73 25.35 14.73 36.21 25.46 14.87 2 0 19.71-999 ?-999 ?-999 ? O3 SO4 A 6 mASN~A 243 38.07 23.13 15.63 37.57 22.89 14.80 40.04 22.10 16.72 40.57 21.90 17.81 38.52 22.15 16.59 37.94 20.75 16.29 2 0 21.50-999 ?-999 ?-999 ? O3 TRS A 1 mALA~A 244 40.73 22.28 15.59 40.17 22.37 14.77 42.71 23.53 16.39 43.60 23.41 17.24 42.19 22.34 15.59 42.74 22.34 14.16 2 0 19.23-999 ?-999 ?-999 ? C3 TRS A 1 mPHE~A 245 42.13 24.72 16.15 41.43 24.73 15.43 42.23 25.71 18.40 43.04 26.11 19.26 42.52 25.87 16.92 41.90 27.16 16.36 3 0 17.98-999 ?-999 ?-999 ? C3 TRS A 1 mGLU~A 246 41.10 25.08 18.73 40.51 24.84 17.96 41.84 23.86 20.74 42.25 24.03 21.89 40.78 24.78 20.14 39.39 24.19 20.27 2 0 17.53-999 ?-999 ?-999 ? O3 TRS A 1 mASN~A 247 42.30 22.90 19.95 41.89 22.89 19.04 44.64 22.62 20.80 45.36 22.15 21.67 43.33 21.97 20.44 43.60 20.85 19.46 2 0 15.46-999 ?-999 ?-999 ? O3 TRS A 1 mVAL~A 248 44.96 23.73 20.13 44.31 23.98 19.41 46.24 24.84 21.95 47.32 24.83 22.57 46.19 24.47 20.47 46.28 25.74 19.56 3 0 12.90-999 ?-999 ?-999 ? O3 TRS A 1 mLYS~A 249 45.07 25.09 22.53 44.28 25.02 21.92 45.40 24.34 24.88 45.61 24.60 26.07 44.95 25.44 23.93 43.52 25.86 24.25 2 0 12.12-999 ?-999 ?-999 ? O3 TRS A 1 mLYS~A 250 45.55 23.12 24.38 45.26 23.04 23.43 47.56 22.20 25.53 48.08 21.56 26.46 46.10 22.00 25.18 45.96 20.68 24.43 2 0 10.91-999 ?-999 ?-999 ? O3 TRS A 1 mALA~A 251 48.27 23.01 24.75 47.80 23.38 23.96 49.68 24.45 26.14 48.69 25.13 26.42 49.64 23.32 25.07 50.40 23.70 23.81 2 0 7.53-999 ?-999 ?-999 ? O3 TRS A 1 mASP~A 252 50.86 24.66 26.69 51.57 24.03 26.37 51.30 27.04 26.97 52.42 27.50 26.79 51.09 25.71 27.68 52.30 25.33 28.51 2 0 -5.15-999 ?-999 ?-999 ? O3 TRS A 1s mVAL~A 253 50.19 27.63 26.57 49.36 27.17 26.89 49.14 29.82 26.33 48.12 29.43 26.90 50.16 28.83 25.75 49.87 28.55 24.26 3 0 7.78-999 ?-999 ?-999 ? O3 TRS A 1 mGLY~A 254 49.41 31.10 26.13 50.30 31.29 25.71 49.04 33.46 26.05 50.19 33.56 25.58 48.47 32.13 26.50-999.99-999.99-999.99 1 0 10.22-999 ?-999 ?-999 ? O1 TRS A 1 mLEU~A 255 48.23 34.49 26.20 47.34 34.28 26.58 49.71 36.40 26.82 49.52 36.27 28.04 48.70 35.83 25.80 47.55 36.81 25.71 3 0 12.28-999 ?-999 ?-999 ? O1 TRS A 1 mVAL~A 256 50.75 37.02 26.31 50.87 36.85 25.33 50.85 39.16 27.39 50.54 39.94 26.47 51.63 37.87 27.13 52.94 38.16 26.40 3 0 11.77-999 ?-999 ?-999 ? O1 TRS A 1 mTHR~A 257 50.46 39.42 28.64 50.80 38.76 29.31 50.35 41.79 29.40 49.82 42.87 29.33 49.61 40.57 28.95 48.54 40.17 29.97 2 0 14.95-999 ?-999 ?-999 ? O1 TRS A 1 mSER~A 258 51.59 41.66 29.84 51.97 40.73 29.80 52.30 43.96 29.35 51.94 45.09 29.67 52.30 42.82 30.35 53.72 42.45 30.76 2 0 15.91-999 ?-999 ?-999 ? O1 TRS A 1 mSER~A 259 52.68 43.64 28.11 53.05 42.71 28.02 52.78 43.84 25.71 53.40 42.80 25.67 52.55 44.57 27.00 53.56 45.72 27.08 2 0 15.16-999 ?-999 ?-999 ? O3 GOL A 5 mPHE~A 260 52.26 44.42 24.64 51.67 45.20 24.85 54.06 43.88 23.02 54.55 42.92 22.45 52.54 43.94 23.29 51.79 44.83 22.29 3 0 14.51-999 ?-999 ?-999 ? O3 GOL A 5 mLYS~A 261 54.79 44.90 23.43 54.29 45.64 23.89 56.93 43.74 23.86 57.91 43.22 23.29 56.21 44.94 23.23 56.68 46.24 23.80 2 0 14.81-999 ?-999 ?-999 ? O3 GOL A 5 mASP~A 262 56.48 43.29 25.02 55.68 43.77 25.38 56.98 40.85 24.93 57.72 39.92 25.20 57.12 42.18 25.69 56.63 42.06 27.11 2 0 14.82-999 ?-999 ?-999 ? O1 TRS A 1 mILE~A 263 56.00 40.75 24.03 55.38 41.53 23.97 57.17 39.32 22.42 57.66 38.20 22.26 55.89 39.55 23.21 54.71 39.68 22.21 3 0 13.14-999 ?-999 ?-999 ? O2 TRS A 1 mPHE~A 264 57.71 40.42 21.89 57.32 41.27 22.24 60.15 40.61 21.39 61.14 40.50 20.63 58.76 40.37 20.88 58.46 41.39 19.77 3 0 14.26-999 ?-999 ?-999 ? O2 TRS A 1 mSER~A 265 60.29 40.99 22.66 59.47 40.93 23.23 62.63 40.37 23.16 62.40 39.19 23.43 61.57 41.46 23.13 61.46 42.06 24.51 2 0 14.70-999 ?-999 ?-999 ? O2 TRS A 1 mPHE~A 266 63.86 40.81 22.90 63.91 41.79 22.71 65.20 39.26 24.24 65.69 38.14 24.30 65.02 39.94 22.90 66.24 40.77 22.52 3 0 14.07-999 ?-999 ?-999 ? O1 GOL A 3 mGLU~A 267 64.82 39.94 25.32 64.43 40.84 25.13 63.84 38.55 27.14 63.90 38.03 28.25 64.97 39.40 26.66 65.19 40.53 27.65 2 0 13.26-999 ?-999 ?-999 ? O2 TRS A 1 mASN~A 268 62.78 38.36 26.36 62.83 38.82 25.48 61.32 36.45 25.78 60.18 36.04 25.65 61.64 37.55 26.77 60.42 38.44 27.03 2 0 10.41-999 ?-999 ?-999 ? O2 TRS A 1 mLYS~A 269 62.33 35.95 25.09 63.22 36.36 25.29 61.47 33.65 24.68 61.61 33.29 25.83 62.12 34.89 24.12 63.47 34.49 23.49 2 0 8.42-999 ?-999 ?-999 ? O2 TRS A 1 mLYS~A 270 60.73 32.96 23.81 60.65 33.41 22.92 59.14 31.81 25.32 58.94 30.89 26.10 60.10 31.67 24.16 61.14 30.60 24.38 2 0 -5.07-999 ?-999 ?-999 ? O2 TRS A 1s mASN~A 271 58.49 32.96 25.37 58.82 33.61 24.69 56.17 32.42 25.95 56.12 31.72 24.93 57.41 33.24 26.32 57.12 34.73 26.35 2 0 6.16-999 ?-999 ?-999 ? O1 TRS A 1 mLYS~A 272 55.18 32.45 26.81 55.33 33.12 27.53 53.14 31.87 25.50 52.29 31.06 25.12 53.99 31.59 26.71 53.09 31.78 27.96 2 0 5.63-999 ?-999 ?-999 ? O1 TRS A 1 mGLU~A 273 53.33 33.03 24.86 53.99 33.65 25.26 53.13 32.56 22.46 52.42 32.38 21.45 52.59 33.31 23.66 52.54 34.79 23.42 2 0 9.13-999 ?-999 ?-999 ? O1 TRS A 1 mMETA 274 54.37 32.13 22.50 54.85 32.32 23.36 54.57 30.01 21.26 54.77 29.21 22.17 54.98 31.46 21.38 56.50 31.54 21.48 2 0 8.05-999 ?-999 ?-999 ? O2 TRS A 1 mILE~A 275 53.93 29.68 20.15 53.68 30.47 19.58 54.77 27.75 18.93 55.29 26.67 19.25 53.62 28.31 19.78 52.26 28.22 19.02 3 0 8.94-999 ?-999 ?-999 ? C2 TRS A 1 mPHE~A 276 55.16 28.50 17.90 54.60 29.31 17.72 57.01 29.44 16.73 56.38 30.35 16.20 56.34 28.14 17.10 55.98 27.33 15.86 3 0 7.80-999 ?-999 ?-999 ? O1 GOL A 3 mTHR~A 277 58.28 29.55 17.10 58.64 28.73 17.54 60.43 30.39 16.34 61.02 29.41 16.78 59.06 30.76 16.89 59.13 31.56 18.23 2 0 -5.85-999 ?-999 ?-999 ? O1 GOL A 3s mILE~A 278 60.90 31.17 15.38 60.28 31.91 15.12 63.28 31.55 15.67 63.29 32.76 15.91 62.21 30.94 14.77 62.32 31.57 13.38 3 0 -3.67-999 ?-999 ?-999 ? O1 GOL A 3s mHIS~A 279 64.17 30.71 16.20 64.00 29.75 15.99 66.37 31.82 16.21 66.94 31.18 15.36 65.28 31.17 17.03 65.87 30.01 17.82 3 0 -3.75-999 ?-999 ?-999 ? O1 GOL A 3s mASN~A 280 66.60 33.11 16.48 65.91 33.54 17.06 68.64 34.19 17.16 68.22 34.12 18.31 67.76 33.83 15.96 67.33 35.06 15.17 2 0 6.72-999 ?-999 ?-999 ? C2 GOL A 3 mGLY~A 281 69.89 34.54 16.89 70.16 34.54 15.93 72.14 35.19 17.61 72.58 34.88 16.51 70.74 34.89 18.01-999.99-999.99-999.99 1 0 9.44-999 ?-999 ?-999 ? C2 GOL A 3 mLYS~A 282 72.86 35.80 18.55 72.35 35.98 19.39 75.07 34.91 18.01 74.96 33.86 18.62 74.25 36.17 18.38 74.76 36.79 19.68 2 0 12.57-999 ?-999 ?-999 ? C3 GOL A 3 mASP~A 283 75.85 35.01 16.95 75.77 35.89 16.49 75.94 32.68 16.10 76.48 31.56 16.08 76.73 33.91 16.50 77.82 33.57 17.57 2 0 12.55-999 ?-999 ?-999 ? C3 GOL A 3 mGLU~A 284 74.66 32.87 15.74 74.34 33.81 15.87 73.11 32.19 13.93 73.33 31.58 12.88 73.82 31.78 15.22 72.81 31.37 16.23 2 0 8.89-999 ?-999 ?-999 ? O2 GOL A 3 mTYR~A 285 72.27 33.21 13.99 72.12 33.59 14.90 71.04 35.07 13.09 70.44 35.27 14.14 71.62 33.71 12.78 70.48 32.75 12.34 3 0 8.40-999 ?-999 ?-999 ? O2 GOL A 3 mGLU~A 286 71.19 36.00 12.17 71.77 35.73 11.40 69.08 37.14 11.89 68.78 36.35 10.98 70.53 37.30 12.31 71.24 38.33 11.41 2 0 11.01-999 ?-999 ?-999 ? C2 GOL A 3 mMETA 287 68.15 37.87 12.48 68.49 38.43 13.23 66.65 37.99 10.54 67.23 38.95 9.98 66.74 37.84 12.05 65.95 38.99 12.68 2 0 10.65-999 ?-999 ?-999 ? C2 GOL A 3 mTRP~A 288 65.94 37.09 9.86 65.54 36.38 10.43 67.07 37.07 7.64 67.12 37.52 6.50 65.74 37.13 8.43 64.90 38.32 7.98 3 0 11.27-999 ?-999 ?-999 ? O2 GOL A 3 mGLY~A 289 68.14 36.55 8.26 67.99 36.21 9.19 69.97 37.84 7.18 70.76 37.93 6.27 69.42 36.49 7.59-999.99-999.99-999.99 1 0 11.44-999 ?-999 ?-999 ? O2 GOL A 3 mGLY~A 290 69.58 38.89 7.91 68.99 38.65 8.68 68.97 41.06 6.82 69.16 42.27 6.72 69.98 40.25 7.61-999.99-999.99-999.99 1 0 14.82-999 ?-999 ?-999 ? O2 GOL A 3 mTYR~A 291 67.95 40.41 6.26 67.87 39.44 6.47 65.97 41.92 6.13 65.25 42.66 5.49 67.05 41.14 5.41 66.48 40.25 4.32 3 0 16.20-999 ?-999 ?-999 ? O2 GOL A 3 mTYR~A 292 65.87 41.79 7.44 66.39 41.02 7.82 65.74 44.08 8.28 65.25 45.10 7.80 65.03 42.73 8.24 64.71 42.15 9.61 3 0 16.40-999 ?-999 ?-999 ? C1 GOL A 3 mARG~A 293 66.96 44.05 8.82 67.22 43.16 9.18 67.96 45.86 7.47 67.92 47.09 7.33 67.82 45.24 8.86 69.19 44.79 9.36 2 0 18.70-999 ?-999 ?-999 ? C2 GOL A 3 mMETA 294 68.17 45.02 6.46 68.06 44.05 6.68 67.34 45.75 4.19 67.56 46.16 3.04 68.53 45.53 5.13 69.57 44.63 4.47 2 0 20.34-999 ?-999 ?-999 ? O2 GOL A 3 mARG~A 295 66.11 45.57 4.68 66.08 45.18 5.60 63.94 46.84 4.57 63.15 47.46 3.85 64.93 45.91 3.88 64.23 44.65 3.35 2 0 21.19-999 ?-999 ?-999 ? C1 GOL A 3 mLEU~A 296 63.90 46.89 5.91 64.65 46.41 6.37 63.34 48.70 7.55 62.50 49.35 8.15 62.85 47.59 6.62 62.00 46.59 7.44 3 0 19.18-999 ?-999 ?-999 ? O1 GOL A 5 mILE~A 297 64.66 48.87 7.76 65.25 48.39 7.12 65.82 50.98 8.30 66.48 50.94 7.26 65.15 49.72 8.85 66.11 48.87 9.75 3 0 18.28-999 ?-999 ?-999 ? O1 GOL A 5 mPRO~A 298 65.65 52.13 8.98 65.10 52.05 9.81 67.77 53.41 8.65 68.34 52.77 9.52 66.26 53.40 8.50 65.64 54.45 9.43 3 0 17.70-999 ?-999 ?-999 ? O1 GOL A 5 mALA~A 299 68.41 54.24 7.84 67.84 54.64 7.12 70.11 55.38 9.25 69.39 56.33 9.55 69.82 54.55 8.00 70.36 55.30 6.79 2 0 20.58-999 ?-999 ?-999 ? O1 GOL A 5 mGLN~A 300 71.17 55.00 9.94 71.64 54.19 9.59 71.79 57.23 10.82 71.44 58.08 11.62 71.59 55.74 11.12 72.85 55.10 11.70 2 0 20.74-999 ?-999 ?-999 ? O1 GOL A 5 mASP~A 301 72.41 57.53 9.69 72.65 56.76 9.11 71.40 59.76 9.30 71.40 60.93 9.66 72.69 58.92 9.38 73.52 59.08 8.10 2 0 21.62-999 ?-999 ?-999 ? C3 GOL A 4 mLYS~A 302 70.31 59.17 8.83 70.44 58.23 8.52 68.51 60.09 10.19 68.05 61.18 10.56 69.03 59.89 8.78 68.00 59.14 7.92 2 0 17.97-999 ?-999 ?-999 ? C3 GOL A 4 mMETA 303 68.60 59.05 11.01 68.99 58.23 10.61 68.93 60.20 13.18 68.38 60.89 14.02 68.15 59.15 12.39 68.26 57.85 13.12 2 0 16.77-999 ?-999 ?-999 ? O1 GOL A 5 mVAL~A 304 70.23 60.31 12.91 70.52 59.76 12.13 71.13 62.59 13.15 71.23 63.52 13.96 71.14 61.17 13.69 72.63 60.56 13.68 3 0 19.44-999 ?-999 ?-999 ? O1 GOL A 5 mLYS~A 305 71.13 62.78 11.83 70.94 61.96 11.30 70.18 64.75 10.67 70.15 65.97 10.55 71.39 64.08 11.22 72.42 63.96 10.07 2 0 18.87-999 ?-999 ?-999 ? C3 GOL A 4 mILE~A 306 69.13 64.01 10.29 69.15 63.07 10.64 66.71 64.64 10.14 66.04 65.65 10.08 68.06 64.58 9.44 67.94 63.79 8.14 3 0 15.62-999 ?-999 ?-999 ? C3 GOL A 4 mTYR~A 307 66.28 63.54 10.75 66.96 62.80 10.76 64.89 64.04 12.77 65.93 64.28 13.40 64.93 63.45 11.35 64.46 62.00 11.38 3 0 12.70-999 ?-999 ?-999 ? C3 GOL A 4 mCYH~A 308 63.70 64.24 13.25 62.98 64.06 12.59 62.18 63.96 15.10 61.44 63.32 14.34 63.46 64.66 14.61 63.34 66.18 14.73 2 0 11.45-999 ?-999 ?-999 ? C3 GOL A 4 mASP~A 309 61.91 64.17 16.37 62.59 64.72 16.85 59.54 64.66 16.92 59.65 65.71 16.31 60.69 63.62 16.99 61.02 63.13 18.42 2 0 9.58-999 ?-999 ?-999 ? O1 GOL A 5 mGLU~A 310 58.40 64.32 17.54 58.45 63.50 18.10 57.36 66.51 18.03 56.60 67.42 17.76 57.21 65.14 17.37 55.98 64.43 17.91 2 0 7.23-999 ?-999 ?-999 ? O3 GOL A 4 mASN~A 311 58.32 66.63 18.95 58.81 65.78 19.13 59.63 68.74 18.86 59.98 69.80 19.33 58.61 67.89 19.63 59.14 67.61 21.03 2 0 9.64-999 ?-999 ?-999 ? O3 GOL A 4 mGLY~A 312 60.18 68.23 17.76 59.83 67.33 17.49 62.62 68.63 17.48 63.53 69.35 17.07 61.21 68.91 17.01-999.99-999.99-999.99 1 0 10.31-999 ?-999 ?-999 ? O3 GOL A 4 mASN~A 313 62.82 67.61 18.32 62.00 67.06 18.48 64.81 66.15 18.27 64.20 65.21 17.77 64.11 67.34 18.94 63.92 67.10 20.44 2 0 13.59-999 ?-999 ?-999 ? O3 GOL A 4 mSER~A 314 66.11 66.23 18.24 66.46 67.06 18.69 66.91 63.88 18.35 66.64 63.81 19.55 66.97 65.21 17.64 68.42 65.75 17.62 2 0 15.67-999 ?-999 ?-999 ? C3 GOL A 4 mPHE~A 315 67.19 62.82 17.60 67.26 63.01 16.62 68.78 61.24 18.67 69.02 60.19 19.26 67.38 61.49 18.16 66.99 60.44 17.11 3 0 15.40-999 ?-999 ?-999 ? O1 GOL A 5 mVAL~A 316 69.71 62.17 18.49 69.43 62.94 17.92 70.91 61.86 20.58 70.13 62.56 21.22 71.04 62.03 19.08 71.96 63.23 18.72 3 0 19.16-999 ?-999 ?-999 ? O1 GOL A 5 mGLY~A 317 71.65 60.90 21.12 72.21 60.38 20.48 70.55 59.75 23.01 70.45 59.46 24.21 71.64 60.65 22.55-999.99-999.99-999.99 1 0 20.21-999 ?-999 ?-999 ? O1 GOL A 5 mTHR~A 318 69.70 59.26 22.09 69.91 59.55 21.16 68.81 56.99 21.82 69.64 56.82 20.95 68.57 58.38 22.39 67.25 58.94 21.78 2 0 17.19-999 ?-999 ?-999 ? O1 GOL A 5 mPRO~A 319 68.06 55.99 22.28 67.41 56.21 23.01 67.96 54.61 20.23 68.54 53.75 19.55 68.24 54.66 21.70 67.22 53.83 22.48 3 0 17.29-999 ?-999 ?-999 ? O1 GOL A 5 mASP~A 320 67.11 55.49 19.71 66.74 56.17 20.34 67.94 55.81 17.38 67.95 55.41 16.23 66.77 55.44 18.30 65.57 56.33 18.02 2 0 15.15-999 ?-999 ?-999 ? O1 GOL A 5 mALA~A 321 68.94 56.47 17.92 68.78 56.76 18.87 70.98 55.50 16.89 71.89 55.56 16.09 70.16 56.75 17.18 71.05 57.76 17.92 2 0 18.20-999 ?-999 ?-999 ? O1 GOL A 5 mGLN~A 322 70.65 54.37 17.53 69.89 54.48 18.17 70.89 52.38 16.06 71.54 51.43 15.62 71.37 53.10 17.31 71.17 52.17 18.50 2 0 20.20-999 ?-999 ?-999 ? O1 GOL A 5 mLEU~A 323 69.75 52.76 15.50 69.34 53.58 15.91 70.01 52.24 13.13 70.28 53.37 12.81 69.17 52.00 14.38 67.72 52.42 14.13 3 0 18.77-999 ?-999 ?-999 ? O1 GOL A 5 mASN~A 324 70.30 51.17 12.38 70.00 50.30 12.76 70.71 50.19 10.19 71.01 49.05 10.46 71.02 51.31 11.12 72.52 51.34 11.31 2 0 21.43-999 ?-999 ?-999 ? O1 GOL A 5 mGLY~A 325 70.10 50.48 9.09 69.91 51.45 9.00 69.47 50.19 6.78 69.89 51.32 6.53 69.74 49.51 8.09-999.99-999.99-999.99 1 0 22.18-999 ?-999 ?-999 ? O1 GOL A 5 mLEU~A 326 68.76 49.50 5.92 68.54 48.58 6.24 66.84 49.70 4.47 66.40 48.60 4.80 68.33 50.00 4.63 69.15 49.31 3.55 3 0 22.62-999 ?-999 ?-999 ? O1 GOL A 5 mTHR~A 327 66.07 50.68 3.99 66.55 51.54 3.80 64.34 50.44 2.29 64.57 51.42 1.56 64.65 50.50 3.78 63.85 51.65 4.42 2 0 20.48-999 ?-999 ?-999 ? O1 GOL A 5 mGLN~A 328 63.85 49.28 1.85 63.86 48.54 2.52 61.83 48.86 0.38 61.27 48.98 -0.70 63.33 49.13 0.48 64.11 48.02 -0.27 2 0 20.68-999 ?-999 ?-999 ? O1 AGOL A 2 mLEU~A 329 61.18 48.54 1.52 61.79 48.41 2.30 59.31 49.42 2.69 59.81 49.36 3.82 59.75 48.40 1.64 59.35 46.99 2.09 3 0 20.05-999 ?-999 ?-999 ? O1 AGOL A 2 mGLN^A 330 58.46 50.37 2.30 58.12 50.23 1.37 56.60 51.44 3.46 55.74 51.56 2.57 58.08 51.51 3.14 58.41 52.79 2.36 2 0 17.30-999 ?-999 ?-999 ? O1 GOL A 5 mVAL^A 331 56.29 51.33 4.75 57.06 51.18 5.36 54.35 52.77 4.70 54.99 53.82 4.81 54.93 51.45 5.22 54.86 51.37 6.75 3 0 14.76-999 ?-999 ?-999 ? O1 GOL A 5 mARG~A 332 53.13 52.73 4.17 52.67 51.84 4.19 52.47 55.00 4.73 52.03 54.75 5.86 52.54 53.94 3.63 51.19 53.62 3.04 2 0 14.79-999 ?-999 ?-999 ? O1 GOL A 5 mARG~A 333 52.88 56.20 4.37 53.12 56.28 3.40 51.61 57.57 6.00 51.50 57.80 7.20 52.97 57.29 5.35 53.53 58.53 4.69 2 0 11.14-999 ?-999 ?-999 ? C1 GOL A 4 mGLU~A 334 50.54 57.52 5.21 50.73 57.27 4.26 48.72 56.73 6.68 47.86 56.99 7.52 49.22 57.82 5.75 48.19 58.06 4.63 2 0 11.06-999 ?-999 ?-999 ? C1 GOL A 4 mPHE~A 335 49.25 55.52 6.58 49.96 55.43 5.89 49.06 54.71 8.90 48.29 54.26 9.75 48.80 54.44 7.44 49.44 53.13 7.01 3 0 11.45-999 ?-999 ?-999 ? C1 GOL A 5 mTYR~A 336 50.12 55.47 9.22 50.64 55.84 8.44 49.30 56.30 11.37 49.12 55.96 12.53 50.46 55.70 10.60 51.71 56.59 10.74 3 0 -7.88-999 ?-999 ?-999 ? O1 GOL A 5s mPHE~A 337 48.51 57.17 10.74 48.76 57.35 9.79 46.03 57.17 11.13 45.03 57.66 11.65 47.38 57.82 11.40 47.38 59.33 11.10 3 0 7.17-999 ?-999 ?-999 ? C1 GOL A 5 mLYS~A 338 46.01 56.09 10.37 46.92 55.82 10.04 44.81 53.90 10.43 43.90 53.15 10.12 44.79 55.38 10.05 44.41 55.56 8.58 2 0 8.04-999 ?-999 ?-999 ? O1 ASO4 A 8 mGLY~A 339 45.83 53.46 11.15 46.47 54.17 11.43 45.37 51.65 12.82 44.88 50.54 12.97 46.00 52.06 11.50-999.99-999.99-999.99 1 0 9.10-999 ?-999 ?-999 ? O3 ASO4 A 8 mPHE~A 340 45.46 52.57 13.81 45.69 53.49 13.50 44.46 53.33 15.91 44.73 54.52 15.69 45.23 52.23 15.23 46.59 52.07 15.94 3 0 6.50-999 ?-999 ?-999 ? O3 ASO4 A 8 mARG~A 341 43.56 52.94 16.78 43.39 51.96 16.77 43.85 54.37 18.73 44.80 53.69 19.13 42.90 53.88 17.65 41.67 53.24 18.33 2 0 3.34-999 ?-999 ?-999 ? O3 ASO4 A 8s mASN~A 342 43.54 55.56 19.27 42.75 56.02 18.86 44.40 55.09 21.51 43.39 54.46 21.85 44.33 56.12 20.36 43.68 57.43 20.83 2 0 4.03-999 ?-999 ?-999 ? O3 ASO4 A 8s mASN~A 343 45.57 54.99 22.11 46.28 55.54 21.68 45.91 52.66 22.98 46.12 51.87 23.91 45.82 54.17 23.26 44.83 54.50 24.41 2 0 5.98-999 ?-999 ?-999 ? O3 GOL A 5 mASP~A 344 45.86 52.26 21.71 45.57 52.97 21.07 47.75 50.86 21.33 48.40 51.49 20.51 46.22 50.91 21.32 45.63 50.59 19.95 2 0 7.71-999 ?-999 ?-999 ? O3 GOL A 5 mTHR~A 345 48.34 50.15 22.27 47.71 49.64 22.86 50.49 49.47 21.23 51.69 49.68 21.02 49.78 50.13 22.41 50.29 49.46 23.73 2 0 7.97-999 ?-999 ?-999 ? O3 GOL A 5 mARG~A 346 49.75 48.74 20.40 48.78 48.63 20.66 50.85 49.22 18.24 51.73 48.97 17.43 50.37 48.15 19.22 49.42 47.22 18.50 2 0 9.74-999 ?-999 ?-999 ? O3 GOL A 5 mTRP~A 347 50.21 50.38 18.26 49.51 50.44 18.97 51.97 51.90 17.41 52.72 51.77 16.44 50.51 51.47 17.34 49.58 52.64 17.63 3 0 -6.75-999 ?-999 ?-999 ? C3 GOL A 5s mTHR~A 348 52.39 52.40 18.58 51.72 52.36 19.32 54.77 51.89 19.05 55.96 52.17 19.03 53.74 52.95 18.72 53.73 54.06 19.74 2 0 6.12-999 ?-999 ?-999 ? C3 GOL A 5 mTHR~A 349 54.33 50.66 19.30 53.34 50.58 19.43 55.60 49.06 17.94 56.75 48.72 17.64 55.26 49.53 19.38 54.70 48.40 20.25 2 0 9.83-999 ?-999 ?-999 ? C3 GOL A 5 mSER~A 350 54.61 49.02 17.06 53.73 49.34 17.41 55.50 49.54 14.79 56.28 49.15 13.90 54.82 48.55 15.69 53.47 48.18 15.06 2 0 11.02-999 ?-999 ?-999 ? C3 GOL A 5 mLEU^A 351 55.20 50.84 14.99 54.62 51.00 15.79 56.16 53.06 14.97 55.59 53.34 16.03 55.67 51.93 14.13 54.53 52.45 13.26 3 0 8.81-999 ?-999 ?-999 ? O1 GOL A 5 mLYS^A 352 57.14 53.79 14.45 57.58 53.39 13.65 57.40 56.15 13.95 57.89 55.99 12.84 57.52 55.08 15.02 58.92 55.06 15.62 2 0 7.24-999 ?-999 ?-999 ? O1 GOL A 5 mALA^A 353 56.76 57.26 14.31 56.35 57.23 15.22 57.98 59.22 13.55 58.38 59.61 14.65 56.69 58.42 13.42 55.48 59.29 13.80 2 0 6.11-999 ?-999 ?-999 ? O1 GOL A 5 mVAL^A 354 58.56 59.55 12.41 58.20 59.07 11.61 59.15 61.78 11.62 58.24 61.74 10.79 59.63 60.53 12.35 60.93 59.95 11.73 3 0 9.11-999 ?-999 ?-999 ? O1 GOL A 5 mTYR^A 355 59.76 62.87 12.02 60.51 62.67 12.65 60.66 64.87 11.06 61.79 64.38 11.16 59.41 64.22 11.63 58.87 65.01 12.86 3 0 7.24-999 ?-999 ?-999 ? C3 GOL A 4 mLYS^A 356 60.47 66.05 10.47 59.51 66.24 10.27 61.22 68.35 10.65 60.05 68.79 10.53 61.56 66.98 10.13 61.71 67.11 8.62 2 0 8.90-999 ?-999 ?-999 ? C3 GOL A 4 mLYS^A 357 62.21 69.05 11.17 63.07 68.55 11.25 62.76 71.30 10.56 63.98 71.18 10.39 62.04 70.44 11.58 62.64 70.65 12.96 2 0 9.89-999 ?-999 ?-999 ? C3 GOL A 4 mASP~A 358 62.05 72.13 9.86 61.08 72.14 10.10 63.40 74.14 9.43 63.40 74.35 10.65 62.64 72.96 8.83 61.59 73.31 7.76 2 0 10.90-999 ?-999 ?-999 ? O1 GOL A 4 mALA~A 359 64.04 74.91 8.56 63.90 74.65 7.61 64.02 77.15 9.60 64.56 78.03 10.25 64.88 76.04 9.01 65.76 76.57 7.89 2 0 14.26-999 ?-999 ?-999 ? O1 GOL A 4 mGLN~A 360 62.72 77.13 9.35 62.47 76.37 8.75 61.17 77.62 11.23 60.31 78.28 11.80 61.74 78.09 9.87 60.62 78.33 8.83 2 0 13.07-999 ?-999 ?-999 ? O1 GOL A 4 mGLY~A 361 61.66 76.49 11.74 62.33 76.02 11.17 59.99 75.13 12.99 59.52 74.71 14.05 61.25 75.97 13.01-999.99-999.99-999.99 1 0 11.82-999 ?-999 ?-999 ? O2 GOL A 4 mVAL~A 362 59.44 74.85 11.83 59.96 75.19 11.05 58.48 72.65 11.69 59.28 72.17 10.92 58.19 74.14 11.70 57.40 74.54 10.46 3 0 8.11-999 ?-999 ?-999 ? O2 GOL A 4 mVAL^A 363 57.82 71.91 12.57 57.21 72.45 13.15 56.84 69.81 11.92 55.66 70.09 12.18 57.96 70.46 12.69 57.93 70.04 14.16 3 0 6.38-999 ?-999 ?-999 ? C3 GOL A 4 mSER^A 364 57.17 68.95 10.96 58.15 68.81 10.83 56.42 66.78 10.10 57.57 66.32 10.04 56.13 68.28 10.18 56.04 68.90 8.79 2 0 -3.66-999 ?-999 ?-999 ? C1 GOL A 4s mTYR^A 365 55.34 66.01 10.11 54.48 66.52 10.20 56.03 64.20 8.67 55.67 64.75 7.62 55.39 64.58 9.99 53.98 64.02 10.06 3 0 -3.85-999 ?-999 ?-999 ? C3 GOL A 4s mPHE^A 366 56.97 63.27 8.71 57.12 62.88 9.62 57.33 61.43 7.11 57.03 61.18 5.94 57.71 62.86 7.53 59.20 63.07 7.74 3 0 7.22-999 ?-999 ?-999 ? C1 GOL A 4 mGLY^A 367 57.32 60.50 8.05 57.66 60.78 8.95 57.11 58.23 8.89 57.72 58.59 9.90 56.86 59.17 7.74-999.99-999.99-999.99 1 0 9.58-999 ?-999 ?-999 ? C3 GOL A 4 mPRO^A 368 56.72 56.96 8.70 56.31 56.79 7.80 58.13 55.10 9.49 58.54 54.89 8.32 56.90 55.94 9.74 55.62 55.10 9.59 3 0 9.62-999 ?-999 ?-999 ? O1 GOL A 5 mILE^A 369 58.70 54.58 10.57 58.34 54.95 11.43 59.23 52.29 11.20 58.43 52.31 12.15 59.75 53.56 10.53 61.10 54.01 11.13 3 0 11.75-999 ?-999 ?-999 ? O1 GOL A 5 mTHR^A 370 59.69 51.17 10.65 60.24 51.34 9.83 59.97 49.71 12.59 61.15 49.96 12.81 59.41 49.84 11.18 60.09 48.81 10.28 2 0 13.46-999 ?-999 ?-999 ? O1 GOL A 5 mTYR~A 371 59.14 49.29 13.55 58.27 48.91 13.24 59.27 48.18 15.81 59.74 48.15 16.92 59.54 49.43 14.96 58.85 50.67 15.57 3 0 12.58-999 ?-999 ?-999 ? O1 GOL A 5 mLYS~A 372 58.60 47.16 15.28 58.42 47.22 14.30 59.35 45.27 16.74 59.30 44.84 17.86 58.20 46.05 16.14 57.31 45.09 15.34 2 0 14.63-999 ?-999 ?-999 ? O1 GOL A 5 mPHE~A 373 60.36 44.97 15.90 60.26 45.35 14.98 62.66 45.12 16.66 63.22 45.80 15.80 61.51 44.18 16.32 61.86 43.13 15.26 3 0 16.48-999 ?-999 ?-999 ? O1 GOL A 3 mGLN~A 374 62.98 45.19 17.94 62.48 44.55 18.51 65.33 45.55 18.66 66.30 46.29 18.91 63.95 46.12 18.46 63.44 46.73 19.77 2 0 17.73-999 ?-999 ?-999 ? O1 GOL A 5 mGLY~A 375 65.48 44.24 18.57 64.64 43.72 18.40 67.43 43.96 20.06 66.77 44.02 21.10 66.80 43.65 18.70-999.99-999.99-999.99 1 0 16.27-999 ?-999 ?-999 ? O1 GOL A 3 mTHR~A 376 68.75 44.06 20.04 69.15 44.00 19.12 70.75 45.06 20.92 71.18 45.16 19.78 69.55 44.22 21.24 69.95 42.82 21.81 2 0 18.10-999 ?-999 ?-999 ? O1 GOL A 3 mMETA 377 71.34 45.62 21.97 70.88 45.47 22.84 73.65 45.64 22.51 73.63 45.50 23.74 72.54 46.38 21.83 72.44 47.68 22.58 2 0 21.26-999 ?-999 ?-999 ? O1 GOL A 3 mLEU~A 378 74.58 45.12 21.73 74.44 45.25 20.75 76.72 45.42 22.86 77.01 46.46 22.28 75.70 44.42 22.27 76.30 43.54 21.18 3 0 20.99-999 ?-999 ?-999 ? C2 GOL A 3 mGLU~A 379 77.25 45.09 24.04 76.85 44.27 24.44 79.48 46.08 23.69 79.87 45.16 22.99 78.31 45.88 24.68 78.74 45.19 25.99 2 0 24.31-999 ?-999 ?-999 ? C3 GOL A 3 mGLY~A 380 79.90 47.32 23.54 79.47 47.98 24.16 80.45 48.14 21.17 81.19 48.76 20.41 80.92 47.67 22.54-999.99-999.99-999.99 1 0 26.34-999 ?-999 ?-999 ? C2 GOL A 3 mGLY~A 381 79.19 47.84 20.85 78.67 47.40 21.59 78.18 49.57 19.36 78.02 50.30 20.36 78.64 48.15 19.53-999.99-999.99-999.99 1 0 -24.72-999 ?-999 ?-999 ? C2 GOL A 3s mSER~A 382 78.00 50.00 18.11 78.27 49.35 17.40 76.11 51.25 17.13 75.47 52.31 16.99 77.45 51.30 17.83 78.39 52.16 16.99 2 0 -26.54-999 ?-999 ?-999 ? O1 GOL A 5s mTHR~A 383 75.70 50.08 16.62 76.34 49.32 16.71 73.64 48.78 16.59 74.23 47.81 17.07 74.40 49.94 15.98 74.51 49.81 14.49 2 0 -24.01-999 ?-999 ?-999 ? C2 GOL A 3s mARG~A 384 72.31 48.85 16.49 71.97 49.67 16.04 71.68 46.48 16.24 71.91 46.51 15.04 71.44 47.80 16.99 69.99 48.24 16.83 2 0 21.16-999 ?-999 ?-999 ? C2 GOL A 3 mSER~A 385 71.60 45.39 16.97 71.46 45.56 17.95 70.33 43.41 16.35 69.69 43.21 17.40 71.71 44.06 16.40 72.67 43.21 17.23 2 0 17.61-999 ?-999 ?-999 ? C2 GOL A 3 mPHE~A 386 69.87 43.07 15.16 70.53 43.24 14.42 68.53 41.01 15.11 68.53 40.24 14.13 68.52 42.51 14.95 67.97 43.01 13.61 3 0 15.22-999 ?-999 ?-999 ? C2 GOL A 3 mLEU~A 387 68.54 40.63 16.39 68.43 41.40 17.02 67.47 38.70 17.52 67.54 37.69 18.20 68.70 39.24 16.83 69.93 39.15 17.74 3 0 12.27-999 ?-999 ?-999 ? C2 GOL A 3 mASP~A 388 66.32 39.36 17.31 66.38 40.20 16.78 64.72 37.52 17.22 65.05 37.26 16.06 65.07 38.85 17.86 63.91 39.80 17.56 2 0 11.21-999 ?-999 ?-999 ? O1 GOL A 3 mASP~A 389 64.00 36.69 17.99 63.97 36.90 18.96 62.20 36.06 16.46 61.67 37.14 16.66 63.32 35.57 17.38 62.70 34.65 18.45 2 0 7.88-999 ?-999 ?-999 ? O1 GOL A 3 mPHE^A 390 61.87 35.29 15.43 62.41 34.45 15.35 59.61 34.73 14.72 59.68 33.54 14.40 60.80 35.64 14.51 61.23 35.57 13.06 3 0 8.47-999 ?-999 ?-999 ? O1 GOL A 3 mPRO^A 391 58.52 35.22 15.32 58.55 36.19 15.56 56.73 33.85 14.28 56.58 34.63 13.34 57.37 34.33 15.57 56.39 35.23 16.35 3 0 9.25-999 ?-999 ?-999 ? O1 GOL A 3 mILE^A 392 56.35 32.58 14.26 56.65 32.09 15.07 54.12 31.84 13.63 53.17 32.29 12.96 55.55 31.97 13.18 56.16 30.64 12.70 3 0 9.73-999 ?-999 ?-999 ? O1 GOL A 3 mTYR^A 393 53.92 31.16 14.76 54.76 30.77 15.14 52.60 31.51 16.80 53.35 30.96 17.63 52.58 31.01 15.37 52.10 29.57 15.34 3 0 11.85-999 ?-999 ?-999 ? O1 GOL A 3 mARG^A 394 51.74 32.50 17.07 51.25 32.80 16.26 50.15 32.80 18.90 49.22 32.63 18.09 51.53 33.09 18.38 51.65 34.72 18.27 2 0 12.81-999 ?-999 ?-999 ? O2 TRS A 1 mTYR~A 395 49.95 32.85 20.22 50.75 33.07 20.78 47.56 33.59 20.24 46.43 33.18 20.02 48.63 32.58 20.75 48.65 32.50 22.26 3 0 13.01-999 ?-999 ?-999 ? O1 TRS A 1 mALA~A 396 47.91 34.86 20.02 48.85 35.11 20.25 46.42 35.27 18.10 45.29 35.55 17.70 46.90 35.77 19.46 47.42 37.20 19.35 2 0 16.33-999 ?-999 ?-999 ? O1 TRS A 1 mASP~A 397 47.31 34.63 17.34 48.22 34.57 17.75 45.96 32.94 16.20 44.95 32.90 15.50 46.97 34.07 16.01 48.29 33.61 15.35 2 0 17.71-999 ?-999 ?-999 ? O2 TRS A 1 mCYH~A 398 46.21 32.04 17.16 47.10 32.15 17.61 43.86 31.67 17.75 42.86 31.25 17.21 45.23 31.01 17.50 45.74 30.24 18.73 2 0 16.60-999 ?-999 ?-999 ? C3 TRS A 1 mLEU~A 399 43.82 32.64 18.63 44.70 32.91 19.01 41.82 33.87 17.79 40.61 33.71 17.64 42.53 33.24 18.99 42.71 34.29 20.12 3 0 18.68-999 ?-999 ?-999 ? C3 TRS A 1 mLEU~A 400 42.56 34.61 16.96 43.54 34.65 17.16 41.50 34.35 14.74 40.51 34.62 14.05 41.92 35.31 15.86 42.78 36.48 15.38 3 0 19.97-999 ?-999 ?-999 ? O4 SO4 A 6 mGLN~A 401 42.26 33.29 14.51 43.10 33.25 15.06 40.68 31.44 14.06 39.79 31.07 13.28 41.84 32.29 13.52 42.99 31.43 13.03 2 0 17.64-999 ?-999 ?-999 ? O3 SO4 A 6 mLEU~A 402 40.68 31.16 15.37 41.52 31.38 15.85 38.29 31.45 15.78 37.20 30.97 15.44 39.51 30.57 16.00 39.80 30.30 17.46 3 0 19.79-999 ?-999 ?-999 ? O3 SO4 A 6 mALA~A 403 38.44 32.76 15.98 39.34 33.02 16.33 36.88 33.63 14.29 35.67 33.63 14.06 37.38 33.71 15.73 37.87 35.14 16.08 2 0 19.03-999 ?-999 ?-999 ? O4 SO4 A 6 mMETA 404 37.80 33.53 13.34 38.74 33.54 13.67 36.63 32.14 11.66 35.61 32.17 10.98 37.43 33.41 11.93 38.67 33.50 10.99 2 0 15.26-999 ?-999 ?-999 ? O4 SO4 A 6 mALA~A 405 37.13 31.00 12.15 38.00 31.08 12.65 35.03 29.84 12.56 34.05 29.40 11.94 36.44 29.73 11.97 37.22 28.59 12.62 2 0 15.86-999 ?-999 ?-999 ? O3 SO4 A 6 mLYS~A 406 34.91 30.40 13.76 35.77 30.66 14.21 32.71 31.44 13.48 31.58 31.05 13.18 33.62 30.60 14.36 33.79 31.23 15.73 2 0 18.21-999 ?-999 ?-999 ? O4 SO4 A 6 mVAL~A 407 33.17 32.59 13.02 34.11 32.79 13.29 31.84 32.73 10.94 30.69 32.85 10.53 32.33 33.45 12.18 33.05 34.77 11.82 3 0 15.94-999 ?-999 ?-999 ? O4 SO4 A 6 mLEU~A 408 32.74 31.99 10.30 33.65 31.98 10.72 31.33 30.22 9.33 30.58 29.88 8.42 32.41 31.25 9.10 33.66 30.69 8.43 3 0 13.30-999 ?-999 ?-999 ? O4 SO4 A 6 mLEU~A 409 31.26 29.69 10.55 32.02 29.98 11.12 29.02 29.48 11.63 28.07 28.79 11.99 30.22 28.78 11.03 30.83 27.89 12.12 3 0 16.49-999 ?-999 ?-999 ? O4 SO4 A 6 mGLY~A 410 28.96 30.80 11.64 29.75 31.25 11.22 27.95 31.73 13.72 27.01 32.24 14.31 27.86 31.54 12.21-999.99-999.99-999.99 1 0 17.81-999 ?-999 ?-999 ? O4 SO4 A 6 mGLU~A 411 29.05 31.35 14.33 29.75 30.98 13.72 29.82 32.84 16.18 30.38 33.57 15.37 29.25 31.47 15.77 30.10 30.28 16.26 2 0 20.46-999 ?-999 ?-999 ? O4 SO4 A 6 mASP~A 412 29.67 33.16 17.46 29.26 32.43 18.01 31.55 34.48 18.33 32.03 33.70 19.14 30.04 34.43 18.03 29.27 34.60 19.34 2 0 22.15-999 ?-999 ?-999 ? O4 SO4 A 6 mPRO~A 413 32.29 35.42 17.73 31.75 36.02 17.12 34.11 36.62 19.02 35.29 36.95 19.15 33.74 35.58 17.94 34.20 36.12 16.58 3 0 21.36-999 ?-999 ?-999 ? O4 SO4 A 6 mTHR~A 414 33.14 37.15 19.75 32.25 36.71 19.63 34.52 38.05 21.61 35.34 38.92 21.85 33.39 38.27 20.63 32.09 38.68 21.36 2 0 20.47-999 ?-999 ?-999 ? O3 ASO4 A 8 mGLU~A 415 34.53 36.88 22.24 33.87 36.19 21.94 36.93 36.67 22.79 37.82 37.20 23.42 35.48 36.71 23.32 35.11 35.54 24.22 2 0 21.76-999 ?-999 ?-999 ? O3 ASO4 A 8 mGLU~A 416 37.15 36.04 21.65 36.34 35.61 21.25 38.96 37.36 20.61 40.09 37.77 20.91 38.46 35.98 21.05 38.47 35.04 19.84 2 0 21.37-999 ?-999 ?-999 ? O3 ASO4 A 8 mILE~A 417 38.09 38.11 19.95 37.20 37.68 19.80 38.80 40.32 20.70 39.80 41.03 20.71 38.46 39.44 19.50 37.38 40.09 18.60 3 0 17.78-999 ?-999 ?-999 ? O3 ASO4 A 8 mASN~A 418 37.92 40.31 21.70 37.15 39.68 21.60 39.28 40.72 23.75 39.85 41.58 24.42 38.13 41.17 22.86 36.83 41.40 23.64 2 0 16.85-999 ?-999 ?-999 ? O3 ASO4 A 8 mALA~A 419 39.66 39.44 23.76 39.09 38.82 23.22 42.08 39.74 23.90 42.94 40.24 24.61 40.85 39.03 24.52 41.01 37.51 24.49 2 0 19.11-999 ?-999 ?-999 ? O3 ASO4 A 8 mVAL~A 420 42.17 39.73 22.58 41.42 39.24 22.13 43.22 41.88 22.05 44.26 42.53 22.32 43.25 40.36 21.86 43.31 39.93 20.41 3 0 17.14-999 ?-999 ?-999 ? O3 ASO4 A 8 mARG~A 421 42.05 42.50 21.93 41.28 41.91 21.67 42.28 44.35 23.57 42.97 45.34 23.78 41.94 43.94 22.15 40.54 44.46 21.77 2 0 13.69-999 ?-999 ?-999 ? O3 ASO4 A 8 mGLU~A 422 41.80 43.58 24.55 41.27 42.78 24.26 43.58 43.97 26.17 44.10 44.82 26.88 42.07 43.94 25.93 41.36 42.98 26.89 2 0 15.35-999 ?-999 ?-999 ? O3 ASO4 A 8 mARG~A 423 44.31 43.00 25.59 43.79 42.33 25.06 46.39 44.21 25.07 47.37 44.75 25.58 45.77 42.97 25.73 46.31 41.67 25.20 2 0 16.24-999 ?-999 ?-999 ? O3 GOL A 5 mALA~A 424 45.89 44.61 23.92 45.11 44.06 23.64 46.25 47.07 23.87 47.17 47.90 23.86 46.42 45.74 23.14 45.76 45.82 21.76 2 0 12.77-999 ?-999 ?-999 ? O3 GOL A 5 mTYR~A 425 45.07 47.33 24.43 44.39 46.61 24.31 45.25 48.51 26.63 45.42 49.54 27.28 44.83 48.58 25.15 43.35 48.95 25.08 3 0 11.43-999 ?-999 ?-999 ? O3 GOL A 5 mGLY~A 426 45.36 47.29 27.14 45.32 46.58 26.44 44.20 46.99 29.27 43.29 47.76 28.93 45.53 47.02 28.57-999.99-999.99-999.99 1 0 14.18-999 ?-999 ?-999 ? O3 GOL A 5 mSER~A 427 44.08 46.13 30.27 44.91 45.63 30.51 42.25 47.28 31.50 41.03 47.49 31.46 42.82 45.98 30.94 42.94 44.96 32.10 2 0 17.21-999 ?-999 ?-999 ? O3 ASO4 A 8 mLYS~A 428 43.08 48.13 32.10 44.04 47.88 32.08 41.81 50.21 31.68 40.65 50.58 31.87 42.55 49.33 32.71 43.67 50.13 33.40 2 0 16.57-999 ?-999 ?-999 ? O3 GOL A 5 mTYR~A 429 42.48 50.55 30.60 43.41 50.19 30.55 40.76 50.66 28.90 39.71 51.24 28.64 41.89 51.38 29.59 42.96 51.80 28.58 3 0 13.11-999 ?-999 ?-999 ? O3 ASO4 A 8 mPHE~A 430 40.93 49.39 28.58 41.82 49.03 28.86 38.60 48.66 28.70 37.53 48.94 28.15 39.90 48.62 27.89 40.39 47.20 27.70 3 0 13.20-999 ?-999 ?-999 ? O3 ASO4 A 8 mASN~A 431 38.69 48.38 29.98 39.63 48.22 30.29 36.79 49.65 30.98 35.61 49.65 31.27 37.49 48.32 30.83 37.85 47.71 32.18 2 0 16.15-999 ?-999 ?-999 ? O3 ASO4 A 8 mGLU~A 432 37.52 50.75 30.82 38.48 50.58 30.61 36.38 52.54 29.59 35.66 53.54 29.56 36.98 52.08 30.92 38.08 53.08 31.31 2 0 14.64-999 ?-999 ?-999 ? O4 ASO4 A 8 mHIS~A 433 36.74 51.89 28.48 37.27 51.05 28.64 35.74 51.34 26.25 35.81 51.44 25.02 36.38 52.40 27.15 37.60 53.01 26.43 3 0 11.57-999 ?-999 ?-999 ? O2 ASO4 A 8 mLYS~A 434 35.06 50.36 26.85 35.03 50.42 27.85 33.44 49.86 25.04 33.36 49.29 23.94 34.43 49.31 26.07 33.71 48.27 26.93 2 0 13.27-999 ?-999 ?-999 ? O3 ASO4 A 8 mALA~A 435 32.72 50.91 25.38 32.90 51.29 26.28 32.36 52.06 23.20 31.65 52.31 22.23 31.73 51.45 24.47 30.84 52.47 25.19 2 0 12.43-999 ?-999 ?-999 ? O2 ASO4 A 8 mGLU~A 436 33.65 52.35 23.26 34.08 52.15 24.14 35.23 51.92 21.36 35.32 52.01 20.15 34.36 52.92 22.12 35.18 54.13 22.53 2 0 8.73-999 ?-999 ?-999 ? O2 ASO4 A 8 mILE~A 437 35.89 50.99 22.07 35.63 50.90 23.03 36.76 48.68 21.63 37.45 47.91 20.94 36.92 50.18 21.43 38.36 50.69 21.72 3 0 8.89-999 ?-999 ?-999 ? O3 ASO4 A 8 mALA~A 438 35.87 48.19 22.52 35.43 48.87 23.11 34.77 46.39 21.36 34.00 47.19 20.84 35.61 46.76 22.57 34.87 46.35 23.85 2 0 12.63-999 ?-999 ?-999 ? O3 ASO4 A 8 mTYR~A 439 34.94 45.16 20.87 35.69 44.65 21.28 32.66 44.50 20.39 32.53 43.94 21.48 34.06 44.65 19.82 34.60 43.29 19.34 3 0 14.42-999 ?-999 ?-999 ? O3 ASO4 A 8 mPRO~A 440 31.61 44.93 19.67 30.77 44.92 20.22 31.36 46.90 18.14 30.64 47.37 17.25 31.56 45.37 18.28 30.33 44.65 17.74 3 0 15.15-999 ?-999 ?-999 ? O3 ASO4 A 8 mASN~A 441 32.05 47.67 19.00 32.74 47.20 19.53 32.86 50.00 18.55 32.72 51.22 18.61 31.80 49.09 19.13 31.64 49.43 20.64 2 0 12.24-999 ?-999 ?-999 ? O2 ASO4 A 8 mASP~A 442 33.88 49.43 17.92 33.82 48.43 17.89 34.57 50.70 15.97 34.88 50.06 14.94 34.98 50.19 17.35 36.28 49.40 17.38 2 0 9.27-999 ?-999 ?-999 ? O3 ASO4 A 8 mASN~A 443 33.82 51.79 15.99 33.83 52.25 16.88 33.30 53.76 14.48 32.68 54.28 13.57 33.05 52.29 14.84 31.56 52.05 15.08 2 0 9.45-999 ?-999 ?-999 ? O2 ASO4 A 8 mASP~A 444 34.14 54.45 15.25 34.69 53.88 15.85 34.23 56.45 13.77 35.13 56.18 12.96 34.24 55.92 15.20 35.53 56.39 15.85 2 0 6.45-999 ?-999 ?-999 ? O2 ASO4 A 8 mPRO~A 445 33.22 57.27 13.42 32.59 57.54 14.16 34.31 58.46 11.48 34.76 58.17 10.36 33.11 57.72 12.03 31.85 58.58 12.04 3 0 8.70-999 ?-999 ?-999 ? O2 ASO4 A 8 mGLU~A 446 34.88 59.36 12.26 34.47 59.45 13.17 37.22 59.21 11.48 37.89 59.33 10.45 36.02 60.14 11.77 36.45 61.24 12.76 2 0 7.20-999 ?-999 ?-999 ? O2 ASO4 A 8 mPHE~A 447 37.53 58.29 12.40 36.92 58.24 13.20 38.52 56.59 10.94 39.51 56.35 10.21 38.68 57.45 12.23 38.84 56.54 13.44 3 0 5.48-999 ?-999 ?-999 ? O1 ASO4 A 8 mTYR~A 448 37.33 56.04 10.72 36.62 56.28 11.37 36.81 55.84 8.28 36.76 55.18 7.25 37.10 55.16 9.61 36.04 54.07 9.95 3 0 9.13-999 ?-999 ?-999 ? O1 ASO4 A 8 mTHR~A 449 36.62 57.14 8.31 36.55 57.51 9.23 37.86 58.01 6.37 38.90 58.19 7.00 36.51 57.94 7.08 35.97 59.33 7.40 2 0 10.88-999 ?-999 ?-999 ? O1 ASO4 A 8 mASP~A 450 37.83 57.85 5.04 36.91 57.69 4.67 40.10 56.94 4.76 41.28 57.29 4.89 39.05 57.91 4.23 39.61 59.35 4.15 2 0 12.69-999 ?-999 ?-999 ? O1 ASO4 A 8 mASN~A 451 39.63 55.73 5.11 38.65 55.58 4.95 40.43 53.50 4.82 39.53 52.67 4.95 40.50 54.72 5.69 40.12 54.40 7.11 2 0 11.73-999 ?-999 ?-999 ? O1 ASO4 A 8 mLYS~A 452 41.37 53.39 3.87 42.07 54.09 3.91 41.72 50.96 3.44 41.56 49.95 2.75 41.34 52.32 2.87 42.26 52.65 1.68 2 0 15.20-999 ?-999 ?-999 ? O1 ASO4 A 8 mTRP~A 453 42.28 50.93 4.64 42.29 51.82 5.11 41.87 48.85 6.03 42.17 47.72 6.32 42.83 49.72 5.22 44.07 50.06 6.09 3 0 14.46-999 ?-999 ?-999 ? O3 ASO4 A 8 mMETA 454 40.75 49.42 6.47 40.56 50.32 6.09 38.59 49.45 7.58 38.42 50.60 7.16 39.91 48.74 7.45 40.62 48.70 8.81 2 0 13.17-999 ?-999 ?-999 ? O3 ASO4 A 8 mLYS~A 455 37.65 48.73 8.17 37.94 47.83 8.48 35.88 49.26 9.79 36.49 48.57 10.64 36.31 49.27 8.34 35.33 48.46 7.47 2 0 13.10-999 ?-999 ?-999 ? O3 ASO4 A 8 mPRO~A 456 34.83 50.03 10.10 34.51 50.65 9.39 33.81 48.51 11.74 33.48 47.74 10.82 34.21 49.94 11.40 32.95 50.82 11.25 3 0 11.81-999 ?-999 ?-999 ? O3 ASO4 A 8 mASP~A 457 33.75 48.20 13.03 34.08 48.90 13.66 31.87 46.58 12.83 31.58 45.42 12.53 33.24 46.90 13.43 33.15 46.79 14.95 2 0 13.58-999 ?-999 ?-999 ? O3 ASO4 A 8 mASN~A 458 31.02 47.60 12.69 31.40 48.48 12.97 29.61 47.00 10.72 28.53 46.67 10.23 29.66 47.42 12.18 28.79 48.68 12.48 2 0 15.87-999 ?-999 ?-999 ? O2 ASO4 A 8 mALA~A 459 30.75 46.92 10.03 31.54 47.29 10.50 30.82 44.83 8.71 30.83 44.20 7.65 30.84 46.34 8.69 32.05 46.85 7.96 2 0 17.43-999 ?-999 ?-999 ? O3 ASO4 A 8 mGLY~A 460 30.86 44.25 9.88 31.02 44.88 10.64 31.87 42.12 10.67 33.00 42.67 10.77 30.70 42.81 10.02-999.99-999.99-999.99 1 0 16.63-999 ?-999 ?-999 ? O4 SO4 A 6 mALA~A 461 31.66 40.92 11.16 30.74 40.56 10.96 33.90 39.81 11.13 35.00 39.90 11.65 32.67 40.19 11.94 32.01 38.99 12.56 2 0 16.63-999 ?-999 ?-999 ? O4 SO4 A 6 mLEU~A 462 33.73 39.42 9.86 32.79 39.34 9.54 35.81 40.32 8.85 37.03 40.21 9.04 34.89 39.12 9.05 34.51 38.55 7.67 3 0 13.23-999 ?-999 ?-999 ? O4 SO4 A 6 mGLU~A 463 35.25 41.48 8.54 34.27 41.46 8.37 36.68 43.00 9.78 37.84 43.44 9.81 36.02 42.67 8.46 35.17 43.82 7.95 2 0 14.33-999 ?-999 ?-999 ? O4 SO4 A 6 mALA~A 464 35.96 42.83 10.88 35.04 42.48 10.75 37.77 42.27 12.46 38.75 42.74 13.05 36.56 43.14 12.18 35.53 43.00 13.33 2 0 15.58-999 ?-999 ?-999 ? O3 ASO4 A 8 mILE~A 465 37.73 41.00 12.07 36.87 40.74 11.62 40.00 40.45 11.36 41.16 40.43 11.78 38.85 40.09 12.30 38.43 38.63 12.16 3 0 16.76-999 ?-999 ?-999 ? O4 SO4 A 6 mLEU~A 466 39.72 40.83 10.11 38.75 40.75 9.84 41.48 42.52 9.86 42.71 42.60 9.85 40.79 41.31 9.23 40.28 41.68 7.85 3 0 14.98-999 ?-999 ?-999 ? O4 SO4 A 6 mLYS~A 467 40.71 43.45 10.40 39.73 43.25 10.33 42.11 44.28 12.19 43.20 44.81 12.40 41.26 44.66 11.01 40.10 45.57 11.39 2 0 13.93-999 ?-999 ?-999 ? O3 ASO4 A 8 mGLU~A 468 41.61 43.35 13.01 40.73 42.97 12.73 43.67 42.31 13.84 44.70 42.59 14.47 42.33 42.95 14.22 41.50 42.04 15.09 2 0 14.39-999 ?-999 ?-999 ? O3 ASO4 A 8 mARG~A 469 43.67 41.44 12.84 42.77 41.26 12.43 45.86 41.78 11.80 47.08 41.64 11.97 44.87 40.79 12.40 44.59 39.64 11.41 2 0 17.28-999 ?-999 ?-999 ? O3 ASO4 A 8 mLEU~A 470 45.35 42.79 11.10 44.36 42.78 11.00 46.98 44.54 11.67 48.19 44.71 11.62 46.21 43.82 10.53 45.40 44.80 9.67 3 0 15.65-999 ?-999 ?-999 ? O3 ASO4 A 8 mARG~A 471 46.22 44.96 12.68 45.25 44.76 12.58 47.77 44.75 14.59 48.77 45.26 15.15 46.80 45.63 13.82 45.66 46.13 14.74 2 0 13.06-999 ?-999 ?-999 ? O3 ASO4 A 8 mGLU~A 472 47.51 43.45 14.69 46.75 43.15 14.10 49.54 42.07 14.88 50.50 41.78 15.61 48.23 42.54 15.55 47.31 41.35 15.85 2 0 15.98-999 ?-999 ?-999 ? C3 GOL A 5 mPHE~A 473 49.59 41.93 13.55 48.87 42.43 13.06 51.46 41.87 11.87 52.08 41.25 11.02 50.59 41.13 12.87 49.96 39.88 12.20 3 0 17.97-999 ?-999 ?-999 ? C3 GOL A 5 mMETA 474 51.61 43.20 11.99 51.07 43.65 12.71 53.89 43.27 11.15 54.41 42.97 12.25 52.53 43.88 11.09 52.63 45.39 11.43 2 0 16.38-999 ?-999 ?-999 ? C3 GOL A 5 mPHE~A 475 54.53 43.09 9.98 53.99 43.37 9.18 55.99 41.04 10.24 57.07 40.52 10.32 55.89 42.53 9.87 56.94 43.37 10.65 3 0 17.73-999 ?-999 ?-999 ? O1 GOL A 3 mGLU~A 476 54.85 40.36 10.39 54.02 40.90 10.24 54.30 38.08 9.60 54.18 36.88 9.77 54.81 38.96 10.72 54.06 38.70 12.03 2 0 15.23-999 ?-999 ?-999 ? O1 GOL A 3 mGLY~A 477 54.04 38.64 8.43 54.04 39.64 8.42 52.36 37.22 7.13 52.18 36.13 6.62 53.79 37.77 7.28-999.99-999.99-999.99 1 0 16.45-999 ?-999 ?-999 ? C1 GOL A 3 mLYS~A 478 51.37 38.00 7.55 51.65 38.92 7.83 49.00 38.19 6.63 48.10 37.51 6.15 49.98 37.52 7.59 49.39 37.64 8.99 2 0 17.43-999 ?-999 ?-999 ? O3 SO4 A 6 mARG~A 479 49.13 39.50 6.37 50.01 39.89 6.63 47.65 39.78 4.38 46.44 39.78 4.07 48.06 40.26 5.75 48.46 41.75 5.73 2 0 15.70-999 ?-999 ?-999 ? O1 SO4 A 6 mTRP~A 480 48.62 39.46 3.51 49.56 39.61 3.83 47.57 37.60 2.26 46.55 37.38 1.60 48.28 38.95 2.19 49.52 38.92 1.31 3 0 13.22-999 ?-999 ?-999 ? O1 SO4 A 6 mTYR~A 481 48.06 36.71 3.09 48.89 36.99 3.58 46.00 35.60 3.84 45.10 34.85 3.48 47.40 35.42 3.26 48.26 34.49 4.10 3 0 12.33-999 ?-999 ?-999 ? O3 SO4 A 6 mASP~A 482 45.79 36.58 4.73 46.61 37.10 4.97 43.46 37.16 4.21 42.34 36.63 4.15 44.45 36.82 5.30 44.49 38.02 6.28 2 0 12.02-999 ?-999 ?-999 ? O3 SO4 A 6 mILE~A 483 43.79 38.12 3.35 44.71 38.49 3.46 42.68 37.51 1.26 41.59 37.29 0.74 42.87 38.56 2.33 43.19 39.99 1.82 3 0 9.58-999 ?-999 ?-999 ? O1 SO4 A 6 mARG~A 484 43.76 36.80 0.91 44.62 37.10 1.34 42.73 34.60 0.48 41.92 34.07 -0.30 43.68 35.69 -0.03 45.05 35.08 -0.25 2 0 7.53-999 ?-999 ?-999 ? O1 SO4 A 6 mLEU~A 485 42.80 34.27 1.76 43.50 34.76 2.27 40.44 33.63 2.08 39.64 32.81 1.62 41.88 33.26 2.33 42.13 33.11 3.80 3 0 7.37-999 ?-999 ?-999 ? O3 SO4 A 6 mLEU~A 486 40.08 34.87 2.37 40.82 35.47 2.65 38.20 35.50 0.86 36.98 35.43 0.62 38.68 35.29 2.26 38.38 36.47 3.18 3 0 6.10-999 ?-999 ?-999 ? O4 SO4 A 6 mGLY~A 487 39.10 35.75 -0.09 40.02 35.97 0.25 38.93 37.00 -2.23 39.28 38.03 -1.64 38.79 35.68 -1.49-999.99-999.99-999.99 1 0 -3.37-999 ?-999 ?-999 ? O4 SO4 A 6s mTRP~A 488 38.60 36.96 -3.52 38.15 36.11 -3.80 38.25 39.39 -3.90 38.89 40.44 -4.00 38.86 38.08 -4.42 38.34 37.80 -5.82 3 0 -3.71-999 ?-999 ?-999 ? O1 SO4 A 6s mASP~A 489 37.03 39.38 -3.37 36.59 38.48 -3.30 37.32 41.37 -1.93 37.45 42.58 -2.00 36.44 40.64 -2.93 35.08 40.41 -2.34 2 0 6.23-999 ?-999 ?-999 ? O4 SO4 A 6 mTYR~A 490 37.95 40.60 -1.03 37.77 39.61 -1.11 40.23 41.48 -0.59 40.79 42.53 -0.29 38.83 41.16 -0.03 38.92 40.22 1.17 3 0 7.92-999 ?-999 ?-999 ? O4 SO4 A 6 mVAL~A 491 40.78 40.59 -1.40 40.29 39.73 -1.46 41.89 42.22 -2.85 42.83 43.02 -2.84 42.02 40.88 -2.12 42.38 39.74 -3.08 3 0 8.02-999 ?-999 ?-999 ? O1 SO4 A 6 mHIS~A 492 40.78 42.44 -3.53 40.08 41.74 -3.43 40.46 44.89 -3.50 40.89 45.95 -3.90 40.62 43.63 -4.34 39.47 43.38 -5.31 3 0 9.51-999 ?-999 ?-999 ? O1 SO4 A 6 mGLN~A 493 39.82 44.78 -2.35 39.42 43.87 -2.18 41.08 46.33 -0.91 41.35 47.53 -0.70 39.73 45.91 -1.44 38.86 45.55 -0.19 2 0 12.04-999 ?-999 ?-999 ? O1 SO4 A 6 mTYR~A 494 41.94 45.33 -0.62 41.70 44.45 -1.02 44.43 45.23 -0.50 45.45 45.03 0.14 43.11 45.54 0.22 42.95 44.75 1.50 3 0 13.18-999 ?-999 ?-999 ? O1 SO4 A 6 mSER~A 495 44.42 45.29 -1.81 43.51 45.43 -2.21 45.36 45.66 -4.01 44.21 45.78 -4.43 45.62 45.18 -2.61 46.11 43.72 -2.69 2 0 13.30-999 ?-999 ?-999 ? O1 SO4 A 6 mSER~A 496 46.44 45.79 -4.77 47.29 45.65 -4.26 46.54 44.85 -7.08 46.73 44.98 -8.28 46.40 46.10 -6.21 47.49 47.08 -6.54 2 0 12.98-999 ?-999 ?-999 ? O1 AGOL A 2 mALA~A 497 46.37 43.66 -6.50 46.17 43.69 -5.53 45.41 42.34 -8.35 44.32 42.85 -8.20 46.49 42.44 -7.29 46.46 41.23 -6.36 2 0 11.55-999 ?-999 ?-999 ? O1 AGOL A 2 mGLU~A 498 45.73 41.61 -9.40 46.69 41.32 -9.41 44.29 39.86 -10.22 45.03 38.98 -9.81 44.78 41.27 -10.43 45.45 41.35 -11.80 2 0 10.58-999 ?-999 ?-999 ? O1 BGOL A 2 mGLN~A 499 43.01 39.63 -10.50 42.53 40.38 -10.96 42.98 37.18 -10.90 43.00 36.06 -10.38 42.38 38.38 -10.16 40.86 38.48 -10.39 2 0 7.89-999 ?-999 ?-999 ? O1 SO4 A 6 mSER~A 500 43.51 37.41 -12.09 43.40 38.35 -12.41 45.64 36.10 -12.41 46.25 35.15 -12.91 44.19 36.36 -12.85 44.20 36.70 -14.35 2 0 10.27-999 ?-999 ?-999 ? O1 SO4 A 6 mARG~A 501 46.15 36.90 -11.49 45.49 37.57 -11.14 47.57 36.88 -9.49 48.38 37.59 -8.90 47.51 36.83 -11.03 48.36 37.96 -11.65 2 0 -9.39-999 ?-999 ?-999 ? O1 BGOL A 2s mLEU~A 502 46.76 36.05 -8.83 46.13 35.52 -9.39 47.98 35.03 -6.92 48.47 35.21 -5.80 46.83 35.94 -7.38 45.53 35.41 -6.80 3 0 9.28-999 ?-999 ?-999 ? O1 SO4 A 6 mLEU~A 503 48.38 34.10 -7.77 47.80 34.03 -8.59 50.83 34.07 -7.89 50.73 35.25 -8.21 49.57 33.26 -7.51 49.41 31.93 -8.27 3 0 11.91-999 ?-999 ?-999 ? O1 SO4 A 6 mTRP~A 504 51.98 33.40 -7.84 51.88 32.45 -7.53 53.77 33.32 -9.45 53.51 32.15 -9.70 53.26 33.97 -8.18 54.26 33.72 -7.05 3 0 11.40-999 ?-999 ?-999 ? O1 BGOL A 2 mPRO~A 505 54.51 34.07 -10.27 54.61 35.02 -9.99 56.30 32.60 -11.15 56.85 32.65 -10.03 55.11 33.50 -11.48 55.53 34.74 -12.25 3 0 9.18-999 ?-999 ?-999 ? O3 BGOL A 2 mILE~A 506 56.72 31.84 -12.12 56.12 31.90 -12.91 59.00 31.58 -12.96 58.75 31.92 -14.10 57.91 30.99 -12.06 57.59 29.53 -12.50 3 0 11.00-999 ?-999 ?-999 ? O3 AGOL A 2 mASP~A 507 60.21 31.71 -12.41 60.26 31.39 -11.46 61.82 31.35 -14.26 61.67 30.11 -14.18 61.33 32.30 -13.18 62.46 32.66 -12.26 2 0 10.92-999 ?-999 ?-999 ? O3 BGOL A 2 mALA~A 508 62.46 31.95 -15.26 62.52 32.94 -15.19 64.08 30.18 -15.98 64.16 29.10 -16.55 63.01 31.18 -16.37 63.55 32.14 -17.42 2 0 11.72-999 ?-999 ?-999 ? O3 BGOL A 2 mGLY~A 509 64.90 30.50 -14.99 64.76 31.42 -14.61 65.26 28.28 -14.03 65.73 27.16 -14.26 65.91 29.56 -14.53-999.99-999.99-999.99 1 0 15.25-999 ?-999 ?-999 ? O3 BGOL A 2 mTHR~A 510 64.16 28.40 -13.30 63.88 29.35 -13.15 62.71 26.52 -13.93 62.78 25.28 -14.01 63.44 27.24 -12.79 62.47 27.69 -11.70 2 0 15.91-999 ?-999 ?-999 ? O3 BGOL A 2 mLEU~A 511 62.04 27.25 -14.82 62.06 28.24 -14.68 62.26 25.83 -16.82 61.94 24.72 -17.23 61.33 26.61 -15.92 60.59 27.64 -16.76 3 0 14.35-999 ?-999 ?-999 ? O3 AGOL A 2 mTHR~A 512 63.42 26.41 -17.16 63.61 27.29 -16.72 65.08 24.59 -17.48 65.66 23.76 -18.18 64.29 25.73 -18.12 65.20 26.67 -18.86 2 0 16.43-999 ?-999 ?-999 ? O3 AGOL A 2 mASN~A 513 65.05 24.47 -16.17 64.60 25.23 -15.70 64.73 22.09 -15.51 65.21 20.99 -15.34 65.64 23.31 -15.48 66.03 23.69 -14.02 2 0 19.46-999 ?-999 ?-999 ? O3 AGOL A 2 mASN~A 514 63.43 22.30 -15.69 63.18 23.25 -15.86 61.44 21.45 -16.73 60.48 22.18 -16.53 62.46 21.22 -15.65 61.79 21.11 -14.30 2 0 19.62-999 ?-999 ?-999 ? O3 AGOL A 2 mSER~A 515 61.68 20.83 -17.89 62.47 20.23 -17.88 59.36 20.64 -18.88 58.52 21.03 -19.70 60.83 21.04 -19.05 61.42 20.27 -20.26 2 0 18.89-999 ?-999 ?-999 ? O3 AGOL A 2 mALA~A 516 59.05 19.86 -17.83 59.82 19.55 -17.27 56.88 20.69 -16.97 55.66 20.65 -16.95 57.66 19.52 -17.57 57.57 18.33 -16.61 2 0 16.06-999 ?-999 ?-999 ? O1 ASO4 A 7 mLEU~A 517 57.54 21.72 -16.45 58.54 21.67 -16.56 56.33 23.79 -16.80 56.98 24.13 -17.76 56.86 22.81 -15.79 57.78 23.57 -14.84 3 0 15.70-999 ?-999 ?-999 ? O1 ASO4 A 7 mLYS~A 518 55.14 24.27 -16.54 54.68 23.80 -15.78 54.52 26.62 -16.37 54.47 26.53 -15.16 54.55 25.38 -17.27 53.13 25.04 -17.72 2 0 13.51-999 ?-999 ?-999 ? O3 AGOL A 2 mGLN~A 519 54.51 27.78 -17.01 54.67 27.72 -18.00 52.99 28.99 -15.51 51.99 28.41 -15.94 54.31 29.02 -16.30 54.35 30.19 -17.29 2 0 10.12-999 ?-999 ?-999 ? O3 AGOL A 2 mTHR~A 520 53.01 29.66 -14.38 53.90 30.00 -14.10 50.69 30.45 -14.48 50.89 31.45 -15.14 51.79 29.86 -13.62 52.04 30.82 -12.46 2 0 10.71-999 ?-999 ?-999 ? O3 AGOL A 2 mPRO~A 521 49.49 29.85 -14.45 49.43 29.01 -13.91 48.17 31.91 -14.83 48.17 32.31 -13.67 48.37 30.45 -15.18 47.16 29.60 -14.74 3 0 10.75-999 ?-999 ?-999 ? C3 AGOL A 2 mGLY~A 522 47.97 32.73 -15.86 47.93 32.29 -16.76 49.06 34.93 -16.03 48.97 36.13 -16.22 47.82 34.13 -15.73-999.99-999.99-999.99 1 0 8.07-999 ?-999 ?-999 ? C3 AGOL A 2 mTYR~A 523 50.23 34.27 -16.04 50.13 33.28 -15.92 52.22 34.55 -17.51 53.33 34.98 -17.76 51.53 34.93 -16.22 52.44 34.57 -15.04 3 0 5.34-999 ?-999 ?-999 ? C3 AGOL A 2 mGLU~A 524 51.51 33.86 -18.40 50.57 33.66 -18.13 52.60 34.64 -20.49 51.92 35.69 -20.44 52.13 33.46 -19.66 51.10 32.67 -20.50 2 0 5.82-999 ?-999 ?-999 ? O3 AGOL A 2