REMARK SOURCE hebe.pdb HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 22-MAY-07 2Q0X COMPND UNCHARACTERIZED PROTEIN; COMPND 3 CHAIN: A, B; COMPND 4 SYNONYM: PROTEIN DUF1749; COMPND 5 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: TRYPANOSOMA BRUCEI; SOURCE 3 ORGANISM_TAXID: 5691; SOURCE 4 STRAIN: TREU927, 927/4 GUTAT10.1; SOURCE 5 GENE: TB10.6K15.0140; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 7 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 9 EXPRESSION_SYSTEM_PLASMID: PET3A AUTHOR E.A.MERRITT,STRUCTURAL GENOMICS OF PATHOGENIC PROTOZOA CONSORTIUM AUTHOR 2 (SGPP) HET GOL A 336 6 HET GOL B 336 6 SITE 1 AC1 8 PHE A 54 ASP A 55 TYR A 56 LEU A 276 SITE 1 AC2 9 TYR A 21 LYS A 27 PHE B 54 ASP B 55 >SER.A 8 58.19 33.16 139.60 60.27 33.99 138.63 59.23 33.57 139.12 2 0 9.46 -999 ? C1 GOL A 336 >ARG.A 9 55.17 27.92 138.20 55.90 26.89 135.36 55.54 27.41 136.78 2 0 6.40 -999 ? O2 GOL A 336 >PRO.A 10 54.56 31.37 132.91 53.73 32.10 134.86 54.14 31.74 133.89 3 0 7.84 -999 ? O1 GOL A 336 >GLU.A 11 48.96 34.95 136.67 48.31 34.07 138.49 48.64 34.51 137.58 2 0 15.58 -999 ? O1 GOL A 336 >PRO.A 12 46.28 29.75 135.65 47.48 30.75 134.08 46.88 30.25 134.87 3 0 14.48 -999 ? O2 GOL A 336 >VAL^A 13 46.56 31.54 129.97 48.50 31.26 128.94 47.53 31.40 129.45 3 0 12.96 -999 ? O1 GOL A 336 >GLN^A 14 40.88 32.50 127.80 39.59 34.17 128.01 40.24 33.34 127.90 2 0 21.25 -999 ? O1 GOL A 336 >GLY^A 15 42.90 29.88 124.74 42.30 29.59 125.31 42.60 29.73 125.02 1 0 18.17 -999 ? O1 GOL A 336 >HIS^A 16 39.06 28.75 121.86 37.67 30.28 122.24 38.36 29.52 122.05 3 0 19.03 -999 ? O2 GOL B 336 >LEU^A 17 41.65 22.89 124.36 43.06 21.37 124.97 42.36 22.13 124.67 3 0 13.66 -999 ? O2 GOL B 336 >PHE^A 18 40.86 21.76 118.09 42.63 22.34 116.04 41.74 22.05 117.07 3 0 13.82 -999 ? O2 GOL B 336 >THR^A 19 41.69 17.56 119.26 40.92 16.30 120.85 41.31 16.93 120.06 2 0 7.90 -999 ? O2 GOL B 336 >TYR^A 20 44.03 16.97 114.54 46.82 17.10 114.39 45.42 17.03 114.46 3 0 13.94 -999 ? O2 GOL B 336 >TYR^A 21 39.72 11.20 115.64 37.83 10.52 117.61 38.78 10.86 116.62 3 0 -6.20 -999 ? O2 GOL B 336s >LYS^A 22 45.22 10.74 114.02 49.97 8.10 117.19 47.60 9.42 115.60 2 0 14.97 -999 ? O3 GOL B 336 >ASP^A 23 44.73 6.45 114.24 45.01 5.47 116.10 44.87 5.96 115.17 2 0 11.34 -999 ? O3 GOL B 336 >PRO.A 24 40.44 4.17 114.73 41.04 6.11 115.71 40.74 5.14 115.22 3 0 9.09 -999 ? O3 GOL B 336 >TYR.A 25 42.69 3.05 119.21 41.21 0.71 118.92 41.95 1.88 119.06 3 0 9.26 -999 ? O3 GOL B 336 >CYH^A 26 45.03 8.62 119.40 47.21 10.02 118.44 46.12 9.32 118.92 2 0 12.10 -999 ? O3 GOL B 336 >LYS^A 27 43.69 12.17 119.33 37.71 12.21 121.32 40.70 12.19 120.32 2 0 -2.79 -999 ? O2 GOL B 336s >ILE^A 28 46.86 15.30 117.82 47.90 15.13 116.92 47.38 15.22 117.37 3 0 13.54 -999 ? O2 GOL B 336 >PRO^A 29 46.01 16.68 123.14 45.65 17.48 121.09 45.83 17.08 122.11 3 0 12.21 -999 ? O2 GOL B 336 >VAL^A 30 45.93 21.58 119.92 45.91 21.77 117.71 45.92 21.67 118.82 3 0 15.47 -999 ? O2 GOL B 336 >PHE^A 31 46.23 25.87 124.27 45.40 27.87 126.00 45.81 26.87 125.13 3 0 15.67 -999 ? O1 GOL A 336 >MET^A 32 45.24 28.01 120.14 42.79 26.84 116.98 44.02 27.43 118.56 2 0 18.38 -999 ? O2 GOL B 336 >MET^A 33 45.72 31.55 121.56 48.64 30.85 124.35 47.18 31.20 122.95 2 0 12.86 -999 ? O1 GOL A 336 >ASN.A 34 45.90 35.68 120.28 46.33 35.93 122.37 46.12 35.81 121.33 2 0 16.72 -999 ? O1 GOL A 336 >MET.A 35 42.94 33.57 116.92 44.29 30.63 116.45 43.62 32.10 116.68 2 0 20.73 -999 ? O1 GOL A 336 >ASP.A 36 41.43 38.24 117.17 42.88 38.20 118.76 42.15 38.22 117.96 2 0 21.99 -999 ? O1 GOL A 336 >ALA.A 37 44.71 37.35 114.02 46.14 37.12 114.47 45.43 37.23 114.24 2 0 21.77 -999 ? O1 GOL A 336 >ARG.A 39 50.24 36.82 109.64 52.14 39.23 109.58 51.19 38.02 109.61 2 0 23.25 -999 ? O1 GOL A 336 >CYH^A 40 49.67 31.89 113.25 48.74 29.25 112.64 49.20 30.57 112.94 2 0 20.50 -999 ? O1 GOL A 336 >VAL^A 41 52.92 30.78 114.72 54.65 31.71 115.62 53.79 31.25 115.17 3 0 15.77 -999 ? O1 GOL A 336 >LEU^A 42 52.16 26.16 113.95 51.19 24.21 114.11 51.68 25.18 114.03 3 0 18.48 -999 ? O1 GOL A 336 >TRP^A 43 57.51 25.43 119.77 56.19 22.74 122.29 56.85 24.09 121.03 3 0 11.08 -999 ? C2 GOL A 336 >VAL^A 44 56.06 21.69 117.71 56.28 20.17 116.07 56.17 20.93 116.89 3 0 16.09 -999 ? C2 GOL A 336 >GLY.A 45 58.73 20.40 120.09 58.37 19.78 119.71 58.55 20.09 119.90 1 0 12.89 -999 ? O3 GOL A 336 >GLY.A 46 60.64 17.47 121.36 59.85 17.67 121.51 60.25 17.57 121.44 1 0 13.16 -999 ? O3 GOL A 336 >GLN.A 47 59.42 12.49 120.76 60.34 10.60 120.35 59.88 11.55 120.56 2 0 19.12 -999 ? O3 GOL A 336 >THR.A 48 59.43 15.25 126.18 61.46 14.61 126.65 60.44 14.93 126.41 2 0 12.62 -999 ? O3 GOL A 336 >GLU.A 49 60.31 20.03 124.78 61.15 21.43 123.40 60.73 20.73 124.09 2 0 9.03 -999 ? O3 GOL A 336 >SER.A 50 54.70 19.60 126.81 54.84 20.88 128.94 54.77 20.24 127.87 2 0 9.20 -999 ? O2 GOL A 336 >LEU.A 51 50.71 22.19 126.07 49.24 21.67 124.55 49.98 21.93 125.31 3 0 13.43 -999 ? O2 GOL A 336 >LEU.A 52 52.73 26.08 128.31 51.28 27.70 128.21 52.00 26.89 128.26 3 0 9.12 -999 ? O2 GOL A 336 >SER.A 53 57.11 23.87 127.47 58.98 22.47 126.80 58.04 23.17 127.14 2 0 6.78 -999 ? O3 GOL A 336 >PHE.A 54 60.48 27.11 126.05 62.50 25.46 125.11 61.49 26.29 125.58 3 0 -5.02 -999 ? C2 GOL A 336s >ASP.A 55 57.82 30.03 131.70 57.54 28.48 133.15 57.68 29.25 132.43 2 0 -3.78 -999 ? O2 GOL A 336s >TYR~A 56 59.98 32.33 126.19 60.91 31.13 123.89 60.45 31.73 125.04 3 0 -4.58 -999 ? O1 GOL A 336s >PHE~A 57 55.97 28.96 124.46 57.63 27.29 122.95 56.80 28.12 123.71 3 0 7.17 -999 ? O1 GOL A 336 >THR~A 58 52.87 33.12 127.49 52.93 32.41 129.57 52.90 32.77 128.53 2 0 7.79 -999 ? O1 GOL A 336 >ASN~A 59 56.15 36.69 127.65 56.06 36.55 129.77 56.10 36.62 128.71 2 0 7.55 -999 ? O1 GOL A 336 >LEU~A 60 56.06 34.20 122.79 57.07 34.13 120.80 56.56 34.16 121.79 3 0 9.35 -999 ? O1 GOL A 336 >ALA~A 61 51.79 34.90 122.59 50.94 33.75 123.17 51.37 34.32 122.88 2 0 11.87 -999 ? O1 GOL A 336 >GLU~A 62 50.57 39.34 126.66 51.11 39.34 128.71 50.84 39.34 127.68 2 0 12.94 -999 ? O1 GOL A 336 >GLU~A 63 55.45 40.63 123.83 55.03 42.70 124.13 55.24 41.66 123.98 2 0 14.43 -999 ? O1 GOL A 336 >LEU~A 64 52.33 37.06 118.86 54.00 36.05 117.91 53.17 36.55 118.38 3 0 14.59 -999 ? O1 GOL A 336 >GLN~A 65 46.47 39.46 121.47 45.70 41.28 122.23 46.08 40.37 121.85 2 0 19.69 -999 ? O1 GOL A 336 >GLY.A 66 46.72 41.21 117.25 47.29 40.65 117.08 47.01 40.93 117.16 1 0 21.30 -999 ? O1 GOL A 336 >ASP.A 67 50.76 40.85 115.07 51.98 41.14 113.38 51.37 41.00 114.23 2 0 21.08 -999 ? O1 GOL A 336 >TRP.A 68 52.95 37.55 113.57 53.18 35.02 110.57 53.07 36.28 112.07 3 0 19.76 -999 ? O1 GOL A 336 >ALA^A 69 48.00 33.77 116.76 46.84 32.93 116.20 47.42 33.35 116.48 2 0 19.14 -999 ? O1 GOL A 336 >PHE^A 70 51.99 31.03 120.45 54.27 29.56 121.13 53.13 30.29 120.79 3 0 11.33 -999 ? O1 GOL A 336 >VAL^A 71 49.23 27.58 118.32 47.81 26.95 116.77 48.52 27.26 117.54 3 0 17.14 -999 ? O1 GOL A 336 >GLN^A 72 51.75 26.07 121.91 51.77 26.50 123.99 51.76 26.28 122.95 2 0 10.97 -999 ? O1 GOL A 336 >VAL^A 73 50.48 20.88 119.35 50.67 19.79 117.38 50.58 20.34 118.36 3 0 17.83 -999 ? O2 GOL A 336 >GLU.A 74 51.68 18.31 123.68 50.75 17.69 125.48 51.21 18.00 124.58 2 0 15.15 -999 ? O2 GOL A 336 >VAL~A 75 53.96 15.64 118.93 56.06 15.65 118.26 55.01 15.65 118.59 3 0 18.02 -999 ? O3 GOL A 336 >PRO~A 76 51.26 13.07 116.71 52.35 12.94 118.67 51.80 13.01 117.69 3 0 17.07 -999 ? O2 GOL B 336 >SER~A 77 55.26 10.29 119.19 57.01 11.57 118.11 56.13 10.93 118.65 2 0 20.36 -999 ? O3 GOL A 336 >GLY~A 78 55.76 12.06 122.53 55.20 11.48 122.33 55.48 11.77 122.43 1 0 18.02 -999 ? O3 GOL A 336 >LYS~A 79 53.03 9.77 123.88 48.34 11.13 126.56 50.69 10.45 125.22 2 0 13.47 -999 ? O3 GOL B 336 >ILE.A 80 52.83 5.56 126.35 53.41 5.38 127.00 53.12 5.47 126.68 3 0 17.93 -999 ? O3 GOL B 336 >GLY.A 81 51.06 3.96 122.40 51.50 4.58 122.15 51.28 4.27 122.27 1 0 15.69 -999 ? O3 GOL B 336 >SER.A 82 51.83 6.18 119.39 54.17 6.85 119.21 53.00 6.52 119.30 2 0 18.56 -999 ? O3 GOL B 336 >GLY.A 83 52.94 3.27 117.16 53.29 3.16 117.89 53.12 3.21 117.53 1 0 18.44 -999 ? O3 GOL B 336 >PRO.A 84 57.51 2.40 118.29 55.50 3.30 117.83 56.50 2.85 118.06 3 0 21.67 -999 ? O3 GOL B 336 >GLN.A 85 54.25 8.36 114.04 52.40 9.41 114.22 53.32 8.89 114.13 2 0 18.42 -999 ? O3 GOL B 336 >ASP~A 86 59.37 6.92 111.87 58.31 7.12 110.03 58.84 7.02 110.95 2 0 25.57 -999 ? O3 GOL B 336 >HIS~A 87 61.45 12.04 110.60 62.43 11.93 108.75 61.94 11.99 109.68 3 0 25.55 -999 ? O3 GOL A 336 >ALA~A 88 57.68 11.17 108.56 57.97 10.16 107.42 57.83 10.67 107.99 2 0 26.71 -999 ? O3 GOL B 336 >HIS~A 89 54.09 7.72 109.76 54.33 6.23 108.31 54.21 6.98 109.03 3 0 22.65 -999 ? O3 GOL B 336 >ASP~A 90 55.88 13.08 113.87 55.76 12.18 115.82 55.82 12.63 114.84 2 0 21.27 -999 ? O2 GOL B 336 >ALA~A 91 55.32 15.36 110.14 56.45 15.19 109.10 55.89 15.28 109.62 2 0 24.99 -999 ? O2 GOL B 336 >GLU~A 92 50.80 12.46 107.06 50.71 10.62 106.05 50.75 11.54 106.55 2 0 21.98 -999 ? O2 GOL B 336 >ASP~A 93 50.35 13.90 112.78 50.09 11.83 112.72 50.22 12.86 112.75 2 0 17.31 -999 ? O2 GOL B 336 >VAL~A 94 51.46 18.12 111.74 53.17 19.02 112.79 52.32 18.57 112.26 3 0 20.95 -999 ? O2 GOL B 336 >ASP~A 95 51.24 18.01 106.84 51.35 19.22 105.12 51.30 18.62 105.98 2 0 24.61 -999 ? O2 GOL B 336 >ASP~A 96 46.67 16.27 109.24 47.18 14.60 107.97 46.92 15.44 108.61 2 0 18.59 -999 ? O2 GOL B 336 >LEU~A 97 47.71 20.28 112.74 47.13 21.55 114.43 47.42 20.91 113.59 3 0 17.78 -999 ? O2 GOL B 336 >ILE~A 98 49.59 22.91 108.33 50.91 23.43 107.97 50.25 23.17 108.15 3 0 23.71 -999 ? O2 GOL B 336 >GLY~A 99 45.48 22.02 106.68 45.45 22.24 107.44 45.46 22.13 107.06 1 0 21.41 -999 ? O2 GOL B 336 >ILE~A 100 42.86 21.46 110.74 42.43 20.59 111.69 42.65 21.02 111.21 3 0 16.46 -999 ? O2 GOL B 336 >LEU~A 101 45.62 25.95 111.06 46.27 25.79 113.12 45.94 25.87 112.09 3 0 20.86 -999 ? O2 GOL B 336 >LEU~A 102 45.05 26.53 105.83 47.15 27.01 105.49 46.10 26.77 105.66 3 0 25.16 -999 ? O2 GOL B 336 >ARG~A 103 40.43 22.29 104.69 38.24 21.30 106.69 39.33 21.79 105.69 2 0 18.68 -999 ? O2 GOL B 336 >ASP~A 104 38.78 24.58 110.13 38.15 22.99 108.87 38.46 23.78 109.50 2 0 18.05 -999 ? O2 GOL B 336 >HIS~A 105 40.77 27.23 113.31 39.98 25.57 114.32 40.38 26.40 113.82 3 0 18.29 -999 ? O2 GOL B 336 >CYH.A 106 41.04 31.54 108.69 40.35 34.12 107.74 40.69 32.83 108.21 2 0 27.75 -999 ? O2 GOL B 336 >MET.A 107 44.80 31.27 109.01 45.64 31.66 112.07 45.22 31.47 110.54 2 0 22.86 -999 ? O1 GOL A 336 >ASN.A 108 46.07 34.34 105.53 44.04 34.88 105.27 45.06 34.61 105.40 2 0 29.54 -999 ? O1 GOL A 336 >GLU.A 109 50.68 34.36 106.82 52.15 35.78 106.26 51.42 35.07 106.54 2 0 25.19 -999 ? O1 GOL A 336 >VAL^A 110 51.83 29.83 109.12 51.10 27.82 109.60 51.47 28.82 109.36 3 0 22.05 -999 ? O1 GOL A 336 >ALA^A 111 55.17 30.54 110.73 55.51 31.81 111.54 55.34 31.18 111.13 2 0 18.62 -999 ? O1 GOL A 336 >LEU^A 112 56.88 25.96 110.77 55.83 24.05 110.57 56.36 25.01 110.67 3 0 19.95 -999 ? O1 GOL A 336 >PHE^A 113 58.57 28.48 117.24 59.99 29.09 119.57 59.28 28.78 118.40 3 0 11.21 -999 ? O1 GOL A 336 >ALA^A 114 60.22 24.03 116.28 60.59 22.96 115.26 60.41 23.49 115.77 2 0 15.86 -999 ? C2 GOL A 336 >THR^A 115 62.33 23.45 119.32 61.20 24.37 120.92 61.77 23.91 120.12 2 0 10.05 -999 ? C2 GOL A 336 >SER.A 116 64.51 20.44 120.14 64.43 18.71 121.84 64.47 19.58 120.99 2 0 11.89 -999 ? O3 GOL A 336 >THR.A 117 63.76 17.27 118.06 63.86 15.54 119.36 63.81 16.41 118.71 2 0 15.80 -999 ? O3 GOL A 336 >GLY~A 118 60.65 19.05 116.66 61.44 19.06 116.41 61.04 19.05 116.53 1 0 16.03 -999 ? O3 GOL A 336 >THR~A 119 63.00 20.46 114.07 64.82 21.19 115.02 63.91 20.82 114.55 2 0 16.67 -999 ? O3 GOL A 336 >GLN~A 120 63.51 14.41 112.49 63.76 12.61 113.55 63.64 13.51 113.02 2 0 22.08 -999 ? O3 GOL A 336 >LEU~A 121 58.45 17.34 112.67 57.96 15.60 113.89 58.20 16.47 113.28 3 0 20.61 -999 ? O3 GOL A 336 >VAL~A 122 59.98 20.69 110.10 60.07 22.76 110.87 60.02 21.72 110.48 3 0 20.81 -999 ? C2 GOL A 336 >PHE~A 123 64.95 20.14 108.32 66.65 22.11 109.33 65.80 21.12 108.83 3 0 22.71 -999 ? O3 GOL A 336 >GLU~A 124 59.28 14.36 106.99 60.30 13.32 105.47 59.79 13.84 106.23 2 0 28.56 -999 ? O3 GOL A 336 >LEU~A 125 56.82 19.82 107.55 54.87 19.75 108.52 55.85 19.78 108.04 3 0 24.33 -999 ? O1 GOL A 336 >LEU~A 126 60.16 22.42 104.74 59.82 23.88 106.33 59.99 23.15 105.53 3 0 24.98 -999 ? O1 GOL A 336 >GLU~A 127 61.05 16.76 102.54 62.65 15.36 102.24 61.85 16.06 102.39 2 0 30.55 -999 ? O3 GOL A 336 >ASN~A 128 56.72 15.72 102.21 58.34 14.49 101.53 57.53 15.10 101.87 2 0 30.85 -999 ? O2 GOL B 336 >SER~A 129 53.88 19.46 102.78 52.78 21.34 103.86 53.33 20.40 103.32 2 0 27.15 -999 ? O2 GOL B 336 >ALA.A 130 50.59 19.70 100.87 49.32 18.88 101.13 49.95 19.29 101.00 2 0 26.23 -999 ? O2 GOL B 336 >HIS~A 131 48.81 22.34 103.72 47.35 20.87 104.03 48.08 21.61 103.88 3 0 24.52 -999 ? O2 GOL B 336 >LYS~A 132 54.06 24.67 101.36 57.81 20.49 98.36 55.94 22.58 99.86 2 0 32.72 -999 ? O1 GOL A 336 >SER~A 133 52.65 27.93 99.87 52.11 27.43 97.54 52.38 27.68 98.70 2 0 33.10 -999 ? O1 GOL A 336 >SER.A 134 51.08 28.84 103.20 48.79 28.42 102.53 49.94 28.63 102.87 2 0 29.38 -999 ? O1 GOL A 336 >ILE^A 135 54.86 26.73 105.46 55.07 25.50 106.15 54.97 26.11 105.81 3 0 24.63 -999 ? O1 GOL A 336 >THR^A 136 55.88 31.60 105.01 54.09 32.84 105.04 54.99 32.22 105.03 2 0 25.32 -999 ? O1 GOL A 336 >ARG^A 137 56.97 34.64 107.78 56.96 37.47 106.59 56.97 36.05 107.19 2 0 24.15 -999 ? O1 GOL A 336 >VAL^A 138 60.39 29.00 109.70 60.82 27.06 108.75 60.61 28.03 109.23 3 0 20.34 -999 ? O1 GOL A 336 >ILE^A 139 61.19 30.25 114.23 60.70 31.27 114.86 60.94 30.76 114.54 3 0 14.90 -999 ? O1 GOL A 336 >LEU^A 140 64.89 25.78 113.49 64.00 24.72 111.82 64.45 25.25 112.66 3 0 17.96 -999 ? C3 GOL A 336 >HIS^A 141 65.96 27.08 120.42 67.22 27.16 122.09 66.59 27.12 121.25 3 0 9.86 -999 ? C3 GOL A 336 >GLY^A 142 68.60 24.11 118.89 68.80 24.85 119.12 68.70 24.49 119.01 1 0 13.35 -999 ? C3 GOL A 336 >VAL^A 143 71.30 23.52 121.46 71.17 23.29 123.61 71.23 23.41 122.54 3 0 12.12 -999 ? O3 GOL A 336 >VAL.A 144 74.57 22.56 119.82 74.72 24.16 118.34 74.64 23.36 119.08 3 0 16.87 -999 ? O3 GOL A 336 >CYH.A 145 77.79 20.94 121.08 77.29 18.20 120.85 77.54 19.57 120.96 2 0 19.37 -999 ? O3 GOL A 336 >ASP.A 146 82.57 20.14 120.57 84.37 20.14 119.43 83.47 20.14 120.00 2 0 25.14 -999 ? O3 GOL A 336 >PRO.A 147 81.06 19.92 115.37 81.06 18.53 117.11 81.06 19.23 116.24 3 0 24.39 -999 ? O3 GOL A 336 >GLU.A 148 85.88 17.13 116.75 85.57 15.81 115.10 85.72 16.47 115.93 2 0 29.58 -999 ? O3 GOL A 336 >ASN.A 149 80.46 15.68 121.27 79.42 14.94 122.96 79.94 15.31 122.12 2 0 21.66 -999 ? O3 GOL A 336 >PRO.A 150 81.88 11.30 123.39 81.85 11.87 121.22 81.87 11.58 122.30 3 0 25.61 -999 ? O3 GOL A 336 >LEU.A 151 77.00 11.88 120.76 75.83 11.07 122.39 76.42 11.47 121.57 3 0 22.22 -999 ? O3 GOL A 336 >PHE.A 152 76.90 14.68 117.49 74.40 14.86 118.66 75.65 14.77 118.07 3 0 21.48 -999 ? O3 GOL A 336 >THR~A 153 82.10 11.81 115.62 83.22 11.01 117.30 82.66 11.41 116.46 2 0 28.91 -999 ? O3 GOL A 336 >PRO~A 154 83.62 10.89 111.58 82.00 10.13 112.95 82.81 10.51 112.27 3 0 31.54 -999 ? O3 GOL A 336 >GLY~A 156 79.46 7.55 117.26 79.38 7.56 116.43 79.42 7.55 116.85 1 0 28.58 -999 ? O3 GOL A 336 >CYH~A 157 77.06 8.28 114.39 77.39 10.97 113.69 77.23 9.62 114.04 2 0 27.25 -999 ? O3 GOL A 336 >ALA~A 158 77.69 4.80 112.97 79.02 4.32 112.38 78.36 4.56 112.68 2 0 33.01 -999 ? O3 GOL A 336 >ALA~A 159 77.39 3.27 116.45 78.33 3.57 117.61 77.86 3.42 117.03 2 0 30.62 -999 ? O3 GOL A 336 >ARG~A 160 72.17 8.44 117.15 74.35 10.39 116.13 73.26 9.42 116.64 2 0 24.59 -999 ? O3 GOL A 336 >LYS~A 161 72.82 4.13 113.63 73.11 2.65 108.06 72.97 3.39 110.85 2 0 34.45 -999 ? O3 GOL A 336 >GLU~A 162 75.12 -1.59 114.55 77.13 -2.20 114.78 76.13 -1.90 114.67 2 0 35.80 -999 ? O3 GOL A 336 >HIS~A 163 72.03 1.21 120.28 71.33 0.70 122.19 71.68 0.96 121.23 3 0 28.64 -999 ? O3 GOL A 336 >VAL~A 164 68.85 1.85 116.47 68.10 3.87 115.93 68.48 2.86 116.20 3 0 28.30 -999 ? O3 GOL A 336 >GLU~A 165 69.94 -0.19 111.65 71.69 -0.47 110.49 70.82 -0.33 111.07 2 0 34.85 -999 ? O3 GOL A 336 >LEU~A 167 66.35 -0.72 119.41 67.29 -0.19 121.32 66.82 -0.46 120.36 3 0 29.14 -999 ? O3 GOL A 336 >MET~A 168 63.93 -1.74 115.75 62.81 1.29 115.60 63.37 -0.23 115.67 2 0 28.55 -999 ? O3 GOL B 336 >ALA~A 169 64.48 -5.42 114.90 65.82 -6.01 114.46 65.15 -5.71 114.68 2 0 33.98 -999 ? O3 GOL B 336 >GLU~A 170 65.93 -6.72 119.54 67.30 -6.16 121.04 66.62 -6.44 120.29 2 0 34.35 -999 ? O3 GOL A 336 >GLY~A 171 60.45 -4.26 118.31 61.12 -4.07 118.77 60.78 -4.16 118.54 1 0 27.76 -999 ? O3 GOL B 336 >ARG.A 172 63.84 -3.39 123.61 66.59 -3.07 125.01 65.22 -3.23 124.31 2 0 30.34 -999 ? O3 GOL A 336 >GLY.A 173 61.17 1.34 118.79 60.95 1.20 119.53 61.06 1.27 119.16 1 0 26.38 -999 ? O3 GOL B 336 >GLU.A 174 57.00 3.62 122.83 55.18 2.89 123.69 56.09 3.25 123.26 2 0 20.00 -999 ? O3 GOL B 336 >ASP~A 175 62.65 1.09 124.45 63.38 0.79 126.41 63.01 0.94 125.43 2 0 26.07 -999 ? O3 GOL A 336 >SER~A 176 63.70 5.88 124.68 62.66 7.36 126.36 63.18 6.62 125.52 2 0 19.62 -999 ? O3 GOL A 336 >LEU~A 177 65.06 3.94 128.99 64.06 4.98 130.65 64.56 4.46 129.82 3 0 22.12 -999 ? O3 GOL A 336 >ALA~A 178 67.51 2.21 125.39 66.85 1.19 124.45 67.18 1.70 124.92 2 0 26.37 -999 ? O3 GOL A 336 >MET~A 179 68.94 5.35 123.66 68.52 4.93 120.55 68.73 5.14 122.10 2 0 24.51 -999 ? O3 GOL A 336 >LEU~A 180 70.25 6.64 128.18 68.56 7.31 129.43 69.40 6.98 128.80 3 0 20.69 -999 ? O3 GOL A 336 >LYS.A 181 74.28 6.08 125.97 74.88 1.51 127.88 74.58 3.79 126.93 2 0 27.89 -999 ? O3 GOL A 336 >HIS.A 182 74.36 4.27 121.39 75.45 2.49 121.60 74.90 3.38 121.50 3 0 27.66 -999 ? O3 GOL A 336 >TYR.A 183 70.62 11.18 120.48 70.30 13.42 118.86 70.46 12.30 119.67 3 0 19.53 -999 ? O3 GOL A 336 >ASP.A 184 72.70 14.15 124.53 72.69 15.12 122.65 72.70 14.63 123.59 2 0 17.08 -999 ? O3 GOL A 336 >ILE.A 185 67.95 15.52 123.04 67.57 16.75 122.48 67.76 16.13 122.76 3 0 13.96 -999 ? O3 GOL A 336 >PRO.A 186 65.15 13.41 127.02 65.92 12.70 125.04 65.53 13.06 126.03 3 0 14.48 -999 ? O3 GOL A 336 >ILE.A 187 65.37 10.81 120.79 66.11 10.78 119.64 65.74 10.79 120.21 3 0 19.10 -999 ? O3 GOL A 336 >THR~A 188 62.76 7.04 120.82 60.61 7.31 120.61 61.68 7.18 120.72 2 0 21.78 -999 ? O3 GOL A 336 >PRO~A 189 64.81 3.14 120.44 64.32 4.93 119.14 64.57 4.03 119.79 3 0 25.03 -999 ? O3 GOL A 336 >ALA~A 190 61.67 4.83 116.17 60.22 4.55 116.52 60.94 4.69 116.34 2 0 25.24 -999 ? O3 GOL B 336 >ARG~A 191 59.93 10.81 115.91 60.27 13.79 116.69 60.10 12.30 116.30 2 0 19.07 -999 ? O3 GOL A 336 >LEU~A 192 66.99 7.60 115.96 68.31 8.81 117.24 67.65 8.20 116.60 3 0 23.59 -999 ? O3 GOL A 336 >ALA~A 193 65.26 5.07 112.61 64.51 3.79 113.04 64.89 4.43 112.83 2 0 28.80 -999 ? O3 GOL A 336 >GLY~A 194 63.33 6.93 109.88 64.04 7.17 110.17 63.69 7.05 110.02 1 0 28.57 -999 ? O3 GOL A 336 >GLY.A 195 66.33 9.14 109.15 65.71 9.43 109.63 66.02 9.29 109.39 1 0 27.88 -999 ? O3 GOL A 336 >GLY.A 196 66.06 12.88 108.59 66.67 12.46 108.96 66.36 12.67 108.78 1 0 26.15 -999 ? O3 GOL A 336 >PHE.A 197 68.74 16.44 108.99 69.65 16.10 106.40 69.19 16.27 107.69 3 0 25.96 -999 ? O3 GOL A 336 >PRO.A 198 67.93 12.91 114.64 67.05 14.87 114.01 67.49 13.89 114.33 3 0 21.18 -999 ? O3 GOL A 336 >THR~A 199 68.08 18.36 115.73 68.99 17.58 117.54 68.54 17.97 116.64 2 0 17.04 -999 ? O3 GOL A 336 >LEU~A 200 69.89 22.76 115.02 68.43 24.08 114.13 69.16 23.42 114.57 3 0 17.56 -999 ? C3 GOL A 336 >GLN~A 201 74.89 18.07 116.83 76.15 19.54 117.69 75.52 18.81 117.26 2 0 19.88 -999 ? O3 GOL A 336 >GLU~A 202 72.23 14.86 113.67 71.03 14.96 115.40 71.63 14.91 114.53 2 0 20.84 -999 ? O3 GOL A 336 >ALA~A 203 70.83 19.56 110.24 69.44 20.08 110.54 70.13 19.82 110.39 2 0 22.17 -999 ? O3 GOL A 336 >VAL~A 204 73.18 22.57 110.55 72.20 24.55 110.71 72.69 23.56 110.63 3 0 22.45 -999 ? C3 GOL A 336 >TRP~A 205 77.96 22.37 116.04 77.79 26.31 116.07 77.88 24.34 116.05 3 0 21.02 -999 ? C3 GOL A 336 >ASN~A 206 77.30 17.83 112.39 77.43 17.23 114.44 77.37 17.53 113.42 2 0 23.74 -999 ? O3 GOL A 336 >PRO~A 207 75.22 19.68 108.61 77.43 19.54 109.02 76.32 19.61 108.81 3 0 26.62 -999 ? O3 GOL A 336 >CYH~A 208 78.59 23.33 108.42 76.41 25.10 108.21 77.50 24.22 108.32 2 0 26.10 -999 ? C3 GOL A 336 >ILE~A 209 81.67 22.37 112.15 82.18 23.52 112.81 81.93 22.94 112.48 3 0 26.58 -999 ? C3 GOL A 336 >ARG~A 210 81.78 16.74 110.74 81.43 15.29 113.44 81.61 16.02 112.09 2 0 27.75 -999 ? O3 GOL A 336 >LYS.A 211 81.89 21.43 105.15 87.15 24.47 105.87 84.52 22.95 105.51 2 0 34.64 -999 ? C3 GOL A 336 >GLU~A 212 80.14 16.65 105.80 79.68 15.79 107.70 79.91 16.22 106.75 2 0 30.46 -999 ? O3 GOL A 336 >PHE~A 213 79.01 22.83 101.88 80.46 24.66 103.39 79.73 23.74 102.63 3 0 32.70 -999 ? C3 GOL A 336 >ASP~A 214 76.08 16.70 99.55 77.11 15.45 100.93 76.60 16.07 100.24 2 0 34.82 -999 ? O3 GOL A 336 >VAL~A 215 73.87 17.30 103.53 74.42 16.26 105.37 74.15 16.78 104.45 3 0 30.19 -999 ? O3 GOL A 336 >LEU~A 216 73.67 22.16 103.76 74.75 22.97 105.46 74.21 22.56 104.61 3 0 28.62 -999 ? C3 GOL A 336 >ARG~A 217 72.14 22.08 98.24 73.48 24.49 96.84 72.81 23.29 97.54 2 0 35.31 -999 ? C3 GOL A 336 >ARG~A 218 70.34 14.55 101.81 73.17 13.29 101.96 71.76 13.92 101.88 2 0 33.28 -999 ? O3 GOL A 336 >SER~A 219 68.13 20.19 105.40 70.36 20.82 106.31 69.24 20.50 105.85 2 0 26.15 -999 ? O3 GOL A 336 >VAL~A 220 68.27 24.01 105.03 70.06 24.82 106.03 69.17 24.42 105.53 3 0 25.84 -999 ? C3 GOL A 336 >GLY~A 221 68.13 23.62 101.21 67.56 23.48 101.75 67.84 23.55 101.48 1 0 29.92 -999 ? C3 GOL A 336 >VAL~A 222 64.47 22.49 101.41 64.28 20.62 102.56 64.38 21.56 101.99 3 0 29.10 -999 ? C3 GOL A 336 >ILE~A 223 64.14 26.14 104.62 64.04 26.37 106.11 64.09 26.25 105.37 3 0 24.69 -999 ? O1 GOL A 336 >LYS.A 224 62.36 28.16 100.59 64.68 24.41 97.48 63.52 26.29 99.04 2 0 32.78 -999 ? O1 GOL A 336 >VAL.A 225 61.15 30.93 102.88 59.23 29.97 103.42 60.19 30.45 103.15 3 0 26.28 -999 ? O1 GOL A 336 >PRO.A 226 61.47 34.93 104.55 62.33 32.89 104.99 61.90 33.91 104.77 3 0 24.95 -999 ? O1 GOL A 336 >LEU^A 227 65.45 30.20 107.68 66.08 28.39 108.60 65.76 29.29 108.14 3 0 21.97 -999 ? O1 GOL A 336 >LEU^A 228 64.62 33.01 112.80 65.23 34.21 114.57 64.92 33.61 113.69 3 0 16.67 -999 ? O1 GOL A 336 >LEU^A 229 69.26 29.31 112.67 69.21 27.60 111.35 69.24 28.45 112.01 3 0 19.43 -999 ? C3 GOL A 336 >MET^A 230 68.19 30.19 117.17 64.32 31.28 118.18 66.25 30.73 117.67 2 0 11.92 -999 ? O1 GOL A 336 >LEU^A 231 72.57 28.67 117.60 72.62 27.70 115.66 72.60 28.19 116.63 3 0 16.82 -999 ? C3 GOL A 336 >ALA^A 232 72.33 27.98 122.14 71.18 27.82 123.11 71.76 27.90 122.63 2 0 11.01 -999 ? C3 GOL A 336 >HIS.A 233 77.07 27.31 123.09 78.18 29.07 123.40 77.63 28.19 123.24 3 0 16.38 -999 ? C3 GOL A 336 >ASN.A 234 76.68 23.61 127.84 77.37 23.66 129.87 77.03 23.64 128.85 2 0 14.86 -999 ? O3 GOL A 336 >VAL.A 235 78.81 27.56 128.69 79.29 28.24 130.76 79.05 27.90 129.72 3 0 16.18 -999 ? C3 GOL A 336 >TYR.A 237 80.59 24.12 122.45 81.05 23.95 119.72 80.82 24.03 121.09 3 0 20.55 -999 ? C3 GOL A 336 >PRO.A 239 80.48 28.49 119.82 82.66 27.99 120.08 81.57 28.24 119.95 3 0 21.39 -999 ? C3 GOL A 336 >SER~A 240 85.55 30.03 117.70 86.36 28.46 116.06 85.96 29.25 116.88 2 0 27.50 -999 ? C3 GOL A 336 >ASP~A 241 85.75 34.35 115.50 85.81 35.38 117.34 85.78 34.87 116.42 2 0 27.42 -999 ? C3 GOL A 336 >GLU~A 242 87.71 29.51 111.25 89.47 28.34 111.42 88.59 28.93 111.34 2 0 32.65 -999 ? C3 GOL A 336 >GLU~A 243 84.72 26.33 114.50 85.10 25.44 116.40 84.91 25.88 115.45 2 0 26.35 -999 ? C3 GOL A 336 >VAL~A 244 80.65 30.75 113.82 80.00 32.11 115.46 80.33 31.43 114.64 3 0 23.75 -999 ? C3 GOL A 336 >GLY~A 245 81.70 32.26 110.49 81.51 31.49 110.65 81.60 31.87 110.57 1 0 27.72 -999 ? C3 GOL A 336 >THR~A 246 81.68 28.87 108.71 83.13 27.25 108.51 82.41 28.06 108.61 2 0 29.79 -999 ? C3 GOL A 336 >VAL~A 247 78.22 28.13 110.09 77.41 27.28 111.96 77.81 27.71 111.03 3 0 24.43 -999 ? C3 GOL A 336 >LEU~A 248 77.44 32.91 109.44 76.28 34.76 109.38 76.86 33.83 109.41 3 0 25.88 -999 ? C3 GOL A 336 >GLU~A 249 80.39 30.72 103.86 82.44 30.47 103.56 81.42 30.59 103.71 2 0 33.28 -999 ? C3 GOL A 336 >GLY~A 250 77.09 27.48 105.17 76.68 28.16 105.35 76.88 27.82 105.26 1 0 28.92 -999 ? C3 GOL A 336 >VAL~A 251 73.57 28.48 106.08 72.42 28.51 108.00 73.00 28.49 107.04 3 0 25.43 -999 ? C3 GOL A 336 >ARG~A 252 75.12 34.83 105.12 76.00 37.37 106.61 75.56 36.10 105.86 2 0 28.47 -999 ? O1 GOL A 336 >ASP~A 253 76.46 29.37 100.70 77.73 31.06 100.72 77.10 30.21 100.71 2 0 33.30 -999 ? C3 GOL A 336 >HIS~A 254 74.99 25.31 101.12 76.97 25.27 100.44 75.98 25.29 100.78 3 0 32.45 -999 ? C3 GOL A 336 >THR~A 255 69.45 27.65 102.44 68.68 28.54 104.26 69.06 28.10 103.35 2 0 26.55 -999 ? O1 GOL A 336 >GLY.A 256 66.77 27.60 99.69 66.84 28.20 100.24 66.80 27.90 99.97 1 0 30.53 -999 ? O1 GOL A 336 >CYH.A 257 66.00 31.26 100.45 64.19 33.13 101.61 65.09 32.20 101.03 2 0 28.20 -999 ? O1 GOL A 336 >ASN.A 258 68.91 35.12 99.92 67.28 36.42 99.37 68.10 35.77 99.64 2 0 31.40 -999 ? O1 GOL A 336 >ARG.A 259 64.27 38.18 102.54 65.45 40.34 104.40 64.86 39.26 103.47 2 0 27.38 -999 ? O1 GOL A 336 >VAL^A 260 68.22 33.57 106.76 69.76 31.98 106.62 68.99 32.77 106.69 3 0 24.40 -999 ? O1 GOL A 336 >THR^A 261 69.10 34.97 110.21 68.13 36.67 111.11 68.61 35.82 110.66 2 0 20.82 -999 ? O1 GOL A 336 >VAL^A 262 71.41 33.08 112.56 72.77 31.51 111.83 72.09 32.29 112.19 3 0 20.84 -999 ? C3 GOL A 336 >SER^A 263 71.26 34.25 116.18 69.71 36.08 115.70 70.48 35.17 115.94 2 0 17.49 -999 ? O1 GOL A 336 >TYR^A 264 75.12 32.33 118.35 76.31 30.80 116.32 75.71 31.56 117.33 3 0 18.66 -999 ? C3 GOL A 336 >PHE.A 265 68.94 32.99 121.45 67.66 34.15 119.28 68.30 33.57 120.37 3 0 12.39 -999 ? O1 GOL A 336 >ASN.A 266 72.77 34.27 127.04 73.98 35.59 125.86 73.37 34.93 126.45 2 0 14.25 -999 ? C3 GOL A 336 >ASP.A 267 69.61 28.99 126.25 68.17 29.82 124.94 68.89 29.40 125.60 2 0 7.82 -999 ? C3 GOL A 336 >THR^A 268 71.32 28.02 130.26 71.49 28.53 132.32 71.41 28.28 131.29 2 0 8.86 -999 ? C3 GOL A 336 >CYH^A 269 71.84 24.47 128.97 71.54 25.67 126.44 71.69 25.07 127.70 2 0 9.74 -999 ? O3 GOL A 336 >ASP.A 270 72.18 20.21 131.35 71.04 18.99 130.05 71.61 19.60 130.70 2 0 11.16 -999 ? O3 GOL A 336 >LEU.A 272 72.08 15.91 128.19 72.87 14.13 129.21 72.48 15.02 128.70 3 0 15.14 -999 ? O3 GOL A 336 >ARG.A 273 73.48 18.93 121.61 71.52 17.52 119.70 72.50 18.22 120.66 2 0 16.65 -999 ? O3 GOL A 336 >ARG.A 274 66.95 17.37 127.81 65.38 15.66 129.84 66.17 16.52 128.83 2 0 11.17 -999 ? O3 GOL A 336 >VAL^A 275 67.60 24.08 127.78 66.98 25.76 126.51 67.29 24.92 127.14 3 0 5.93 -999 ? O3 GOL A 336 >LEU^A 276 68.56 24.47 132.49 69.60 22.63 133.03 69.08 23.55 132.76 3 0 -7.23 -999 ? O3 GOL A 336s >LYS^A 277 66.49 28.26 131.24 66.97 33.08 135.46 66.73 30.67 133.35 2 0 8.25 -999 ? C1 GOL A 336 >ALA.A 278 65.82 30.17 128.03 64.53 30.14 127.26 65.18 30.15 127.64 2 0 -4.18 -999 ? C3 GOL A 336s >ALA~A 279 67.11 33.70 127.71 68.30 34.18 126.91 67.71 33.94 127.31 2 0 8.72 -999 ? C1 GOL A 336 >GLU~A 280 62.51 33.28 129.77 61.45 33.37 131.61 61.98 33.33 130.69 2 0 -3.79 -999 ? C1 GOL A 336s >SER~A 281 63.72 38.23 126.73 63.48 40.37 127.87 63.60 39.30 127.30 2 0 10.51 -999 ? O1 GOL A 336 >GLU~A 282 68.63 37.49 124.92 70.39 36.31 125.22 69.51 36.90 125.07 2 0 12.08 -999 ? C1 GOL A 336 >HIS~A 283 64.37 32.37 123.34 65.60 30.68 123.58 64.98 31.52 123.46 3 0 7.57 -999 ? O1 GOL A 336 >VAL~A 284 60.84 36.91 122.49 59.26 37.42 123.92 60.05 37.17 123.20 3 0 9.19 -999 ? O1 GOL A 336 >ALA~A 285 62.66 39.90 121.01 63.75 40.68 121.74 63.21 40.29 121.37 2 0 13.24 -999 ? O1 GOL A 336 >ALA~A 286 64.43 37.86 118.28 65.47 36.75 118.53 64.95 37.30 118.40 2 0 13.56 -999 ? O1 GOL A 336 >ILE~A 287 60.33 35.15 118.05 59.76 33.88 118.35 60.05 34.51 118.20 3 0 11.96 -999 ? O1 GOL A 336 >LEU~A 288 58.91 40.30 118.31 57.08 40.40 119.47 58.00 40.35 118.89 3 0 14.69 -999 ? O1 GOL A 336 >GLN~A 289 64.21 42.54 114.96 63.81 44.65 115.11 64.01 43.60 115.03 2 0 20.46 -999 ? O1 GOL A 336 >PHE~A 290 62.43 36.04 111.98 62.03 34.23 109.90 62.23 35.13 110.94 3 0 19.16 -999 ? O1 GOL A 336 >LEU~A 291 57.49 37.86 112.98 56.94 35.73 113.27 57.21 36.79 113.13 3 0 17.80 -999 ? O1 GOL A 336 >ALA~A 292 58.43 42.16 111.85 58.72 43.10 113.02 58.58 42.63 112.43 2 0 20.81 -999 ? O1 GOL A 336 >ASP~A 293 62.97 42.22 109.96 63.85 43.56 111.38 63.41 42.89 110.67 2 0 22.58 -999 ? O1 GOL A 336 >GLU~A 294 61.46 37.76 107.77 63.07 38.09 106.41 62.27 37.92 107.09 2 0 24.40 -999 ? O1 GOL A 336 >ASP~A 295 55.99 42.15 108.03 54.95 40.59 109.00 55.47 41.37 108.52 2 0 23.47 -999 ? O1 GOL A 336 >PHE~A 297 62.67 41.72 102.36 64.00 41.15 99.95 63.34 41.43 101.15 3 0 30.48 -999 ? O1 GOL A 336 >ARG~A 298 54.96 40.33 103.72 53.69 37.74 104.75 54.32 39.03 104.24 2 0 26.61 -999 ? O1 GOL A 336 >THR~A 299 56.02 44.97 101.62 54.82 45.93 103.16 55.42 45.45 102.39 2 0 31.03 -999 ? O1 GOL A 336 >ARG.B 9 36.68 16.76 115.18 37.15 14.89 117.59 36.92 15.83 116.38 2 0 6.19 -999 ? O2 GOL B 336 >PRO.B 10 33.89 17.60 120.44 33.26 18.75 118.60 33.57 18.17 119.52 3 0 7.98 -999 ? O1 GOL B 336 >GLU.B 11 32.26 24.39 117.29 33.30 24.79 115.49 32.78 24.59 116.39 2 0 15.56 -999 ? O2 GOL B 336 >PRO.B 12 38.04 24.91 118.04 36.76 24.08 119.68 37.40 24.49 118.86 3 0 14.22 -999 ? O2 GOL B 336 >VAL^B 13 36.46 24.94 123.87 36.03 22.97 124.71 36.24 23.95 124.29 3 0 13.23 -999 ? O1 GOL B 336 >GLN^B 14 38.00 30.43 126.29 37.11 32.34 126.06 37.56 31.38 126.17 2 0 21.71 -999 ? O1 GOL B 336 >GLY^B 15 39.66 27.48 129.06 40.17 27.90 128.51 39.91 27.69 128.78 1 0 18.57 -999 ? O1 GOL B 336 >HIS^B 16 42.26 30.40 132.07 41.33 32.26 131.79 41.80 31.33 131.93 3 0 18.85 -999 ? O1 GOL A 336 >LEU^B 17 46.60 26.07 129.00 47.60 24.25 128.22 47.10 25.16 128.61 3 0 14.00 -999 ? O2 GOL A 336 >PHE^B 18 48.33 25.92 135.33 47.36 24.28 137.37 47.85 25.10 136.35 3 0 14.05 -999 ? O2 GOL A 336 >THR^B 19 51.80 23.71 133.68 53.31 24.02 132.12 52.56 23.87 132.90 2 0 8.25 -999 ? O2 GOL A 336 >TYR^B 20 51.79 21.09 138.31 50.63 18.57 138.38 51.21 19.83 138.35 3 0 14.24 -999 ? O2 GOL A 336 >TYR^B 21 58.62 23.07 136.91 60.02 24.53 134.97 59.32 23.80 135.94 3 0 6.32 -999 ? O2 GOL A 336 >LYS.B 22 57.30 17.71 138.29 57.79 12.62 135.28 57.55 15.16 136.78 2 0 15.45 -999 ? O3 GOL A 336 >ASP.B 23 62.03 16.47 137.97 62.14 16.04 135.90 62.08 16.26 136.94 2 0 11.70 -999 ? O3 GOL A 336 >PRO.B 24 64.50 20.40 137.76 62.55 19.91 136.70 63.52 20.16 137.23 3 0 9.14 -999 ? O3 GOL A 336 >TYR.B 25 65.16 17.89 132.73 67.83 18.69 132.74 66.49 18.29 132.74 3 0 9.23 -999 ? O3 GOL A 336 >CYH.B 26 58.97 17.59 133.10 59.87 14.89 133.29 59.42 16.24 133.19 2 0 12.25 -999 ? O3 GOL A 336 >LYS^B 27 56.15 20.11 133.00 58.03 25.88 131.65 57.09 22.99 132.33 2 0 -3.21 -999 ? O2 GOL A 336s >ILE^B 28 52.18 18.09 134.74 51.98 17.00 135.57 52.08 17.55 135.15 3 0 13.86 -999 ? O2 GOL A 336 >PRO^B 29 50.34 19.33 129.67 50.38 20.19 131.73 50.36 19.76 130.70 3 0 12.98 -999 ? O2 GOL A 336 >VAL^B 30 46.49 21.28 133.15 46.44 21.21 135.34 46.47 21.25 134.24 3 0 15.87 -999 ? O2 GOL A 336 >PHE^B 31 42.22 22.87 129.05 40.52 24.47 127.54 41.37 23.67 128.30 3 0 15.66 -999 ? O2 GOL B 336 >MET^B 32 40.75 24.29 133.43 42.99 25.75 136.57 41.87 25.02 135.00 2 0 18.56 -999 ? O2 GOL A 336 >MET^B 33 37.21 25.15 132.35 36.63 22.49 129.15 36.92 23.82 130.75 2 0 13.24 -999 ? O1 GOL B 336 >ASN.B 34 33.29 26.35 133.90 32.79 26.11 131.84 33.04 26.23 132.87 2 0 17.08 -999 ? O1 GOL B 336 >MET.B 35 36.53 28.10 137.22 38.86 25.84 137.35 37.70 26.97 137.29 2 0 21.13 -999 ? O1 GOL B 336 >ASP.B 36 32.77 31.27 137.27 32.12 29.93 135.69 32.44 30.60 136.48 2 0 22.36 -999 ? O1 GOL B 336 >ALA.B 37 32.54 27.64 140.28 32.31 26.25 139.76 32.43 26.94 140.02 2 0 22.18 -999 ? O1 GOL B 336 >ARG.B 39 31.23 21.90 144.17 28.30 21.06 144.42 29.76 21.48 144.29 2 0 23.58 -999 ? O1 GOL B 336 >CYH^B 40 35.96 21.10 140.29 38.77 20.91 140.77 37.37 21.01 140.53 2 0 20.81 -999 ? O1 GOL B 336 >VAL^B 41 35.76 17.72 138.65 34.14 16.50 137.71 34.95 17.11 138.18 3 0 16.07 -999 ? O1 GOL B 336 >LEU^B 42 40.37 16.75 139.18 42.51 16.89 138.99 41.44 16.82 139.09 3 0 18.85 -999 ? O1 GOL B 336 >TRP^B 43 38.74 11.95 132.98 41.67 12.31 130.37 40.21 12.13 131.68 3 0 11.01 -999 ? C2 GOL B 336 >VAL^B 44 42.84 11.82 134.84 44.37 11.05 136.26 43.60 11.43 135.55 3 0 15.64 -999 ? O3 GOL B 336 >GLY.B 45 43.06 9.04 132.26 43.76 9.10 132.61 43.41 9.07 132.43 1 0 12.26 -999 ? O3 GOL B 336 >GLY.B 46 45.00 6.23 130.66 45.11 7.05 130.57 45.05 6.64 130.62 1 0 12.46 -999 ? O3 GOL B 336 >GLN.B 47 50.16 5.55 130.99 51.48 3.93 131.28 50.82 4.74 131.14 2 0 18.42 -999 ? O3 GOL B 336 >THR.B 48 47.37 6.89 125.78 47.05 4.83 125.15 47.21 5.86 125.47 2 0 11.94 -999 ? O3 GOL B 336 >GLU.B 49 42.66 7.83 127.46 41.04 7.36 128.81 41.85 7.60 128.13 2 0 8.28 -999 ? O3 GOL B 336 >SER.B 50 44.89 13.01 125.73 43.65 13.44 123.62 44.27 13.23 124.68 2 0 8.86 -999 ? O2 GOL B 336 >LEU.B 51 43.91 17.55 126.86 45.07 18.59 128.40 44.49 18.07 127.63 3 0 13.05 -999 ? O2 GOL B 336 >LEU.B 52 39.53 17.11 124.66 38.67 19.09 124.99 39.10 18.10 124.82 3 0 8.78 -999 ? O2 GOL B 336 >SER.B 53 40.12 12.18 125.18 40.41 9.82 125.84 40.27 11.00 125.51 2 0 5.95 -999 ? O3 GOL B 336 >PHE.B 54 35.88 10.08 126.69 36.58 7.51 127.50 36.23 8.79 127.09 3 0 -4.81 -999 ? O3 GOL B 336s >ASP~B 55 33.85 14.15 121.50 35.32 13.96 119.98 34.59 14.05 120.74 2 0 -3.72 -999 ? O2 GOL B 336s >TYR~B 56 31.25 12.49 127.10 32.11 11.01 129.30 31.68 11.75 128.20 3 0 -4.92 -999 ? O1 GOL B 336s >PHE~B 57 35.82 14.90 128.75 36.75 12.61 130.10 36.29 13.75 129.43 3 0 7.50 -999 ? O1 GOL B 336 >THR~B 58 33.00 19.54 126.10 33.40 19.36 123.94 33.20 19.45 125.02 2 0 8.15 -999 ? O1 GOL B 336 >ASN~B 59 28.51 17.71 126.03 28.35 18.08 123.93 28.43 17.90 124.98 2 0 8.04 -999 ? O1 GOL B 336 >LEU~B 60 31.06 16.50 130.71 30.95 15.37 132.60 31.01 15.93 131.65 3 0 9.62 -999 ? O1 GOL B 336 >ALA~B 61 31.97 20.74 131.23 33.24 21.20 130.55 32.60 20.97 130.89 2 0 12.26 -999 ? O1 GOL B 336 >GLU~B 62 28.05 24.20 127.89 26.93 23.86 126.16 27.49 24.03 127.03 2 0 14.08 -999 ? O1 GOL B 336 >GLU~B 63 25.51 19.28 130.13 23.71 20.17 129.50 24.61 19.73 129.82 2 0 13.98 -999 ? O1 GOL B 336 >LEU~B 64 29.80 20.78 135.06 30.08 18.74 135.72 29.94 19.76 135.39 3 0 14.94 -999 ? O1 GOL B 336 >GLN~B 65 29.28 27.36 132.77 27.92 28.61 131.71 28.60 27.99 132.24 2 0 19.79 -999 ? O1 GOL B 336 >GLY.B 66 27.81 27.22 137.15 28.17 26.49 137.29 27.99 26.85 137.22 1 0 21.60 -999 ? O1 GOL B 336 >ASP.B 67 26.99 23.12 139.27 26.34 22.20 141.06 26.67 22.66 140.16 2 0 21.69 -999 ? O1 GOL B 336 >TRP.B 68 29.34 19.90 140.24 31.88 18.68 142.98 30.61 19.29 141.61 3 0 20.00 -999 ? O1 GOL B 336 >ALA^B 69 34.49 23.39 137.20 35.71 24.06 137.82 35.10 23.73 137.51 2 0 19.53 -999 ? O1 GOL B 336 >PHE^B 70 35.55 19.12 133.02 36.11 16.58 132.01 35.83 17.85 132.52 3 0 11.71 -999 ? O1 GOL B 336 >VAL^B 71 39.85 20.27 135.02 40.97 21.39 136.55 40.41 20.83 135.79 3 0 17.50 -999 ? O1 GOL B 336 >GLN^B 72 40.10 17.70 131.26 39.61 17.91 129.19 39.86 17.81 130.22 2 0 11.12 -999 ? O2 GOL B 336 >VAL^B 73 45.53 16.78 133.54 46.52 16.07 135.39 46.03 16.42 134.47 3 0 17.47 -999 ? O2 GOL B 336 >GLU.B 74 47.26 14.97 128.74 48.08 15.42 126.81 47.67 15.20 127.78 2 0 14.41 -999 ? O2 GOL B 336 >VAL~B 75 49.26 11.84 133.31 48.44 9.93 133.91 48.85 10.89 133.61 3 0 17.38 -999 ? O3 GOL B 336 >PRO~B 76 52.75 13.14 135.52 52.35 12.26 133.53 52.55 12.70 134.52 3 0 17.37 -999 ? O2 GOL A 336 >SER~B 77 53.67 8.58 132.60 51.96 7.22 133.65 52.82 7.90 133.13 2 0 19.65 -999 ? O3 GOL B 336 >GLY~B 78 51.67 8.88 129.37 52.40 9.23 129.55 52.03 9.06 129.46 1 0 17.26 -999 ? O3 GOL B 336 >LYS~B 79 54.64 10.84 128.05 54.86 15.26 124.52 54.75 13.05 126.29 2 0 15.08 -999 ? O3 GOL A 336 >ILE.B 80 58.53 9.72 125.32 58.52 9.06 124.83 58.53 9.39 125.08 3 0 18.50 -999 ? O3 GOL A 336 >GLY.B 81 60.83 10.12 129.28 60.08 10.07 129.55 60.46 10.10 129.41 1 0 16.55 -999 ? O3 GOL A 336 >SER.B 82 58.81 10.39 132.51 57.17 8.60 132.49 57.99 9.50 132.50 2 0 18.85 -999 ? O3 GOL A 336 >GLY.B 83 61.26 8.20 134.52 61.21 7.88 133.79 61.23 8.04 134.15 1 0 18.76 -999 ? O3 GOL A 336 >PRO.B 84 60.31 3.75 133.07 60.31 5.90 133.68 60.31 4.83 133.38 3 0 21.98 -999 ? O3 GOL A 336 >GLN.B 85 56.46 8.75 137.82 56.00 10.81 137.75 56.23 9.78 137.79 2 0 18.50 -999 ? O3 GOL A 336 >ASP~B 86 55.57 3.26 139.51 55.78 4.15 141.44 55.67 3.70 140.48 2 0 25.78 -999 ? O3 GOL A 336 >HIS~B 87 50.50 2.65 141.03 50.49 1.52 142.80 50.50 2.08 141.92 3 0 25.14 -999 ? O3 GOL B 336 >ALA~B 88 52.48 5.94 143.09 53.34 5.18 144.08 52.91 5.56 143.58 2 0 26.89 -999 ? O3 GOL A 336 >HIS~B 89 57.05 8.10 142.02 58.37 7.28 143.44 57.71 7.69 142.73 3 0 22.90 -999 ? O3 GOL A 336 >ASP~B 90 51.23 8.86 137.99 52.25 8.90 136.11 51.74 8.88 137.05 2 0 21.17 -999 ? O2 GOL A 336 >ALA~B 91 49.39 9.74 141.97 49.03 8.56 142.86 49.21 9.15 142.42 2 0 24.36 -999 ? O3 GOL B 336 >GLU~B 92 53.98 12.48 145.16 55.77 11.63 145.95 54.87 12.05 145.55 2 0 22.39 -999 ? O2 GOL A 336 >ASP~B 93 52.37 14.07 139.55 54.46 13.61 139.47 53.41 13.84 139.51 2 0 17.49 -999 ? O2 GOL A 336 >VAL~B 94 48.05 14.47 140.82 46.52 13.36 139.76 47.28 13.91 140.29 3 0 21.26 -999 ? O2 GOL A 336 >ASP~B 95 48.54 14.16 145.67 47.38 14.16 147.41 47.96 14.16 146.54 2 0 24.98 -999 ? O2 GOL A 336 >ASP~B 96 51.71 18.16 143.62 53.14 16.92 144.62 52.43 17.54 144.12 2 0 18.82 -999 ? O2 GOL A 336 >LEU~B 97 47.39 18.74 140.29 46.45 19.85 138.68 46.92 19.29 139.48 3 0 18.12 -999 ? O2 GOL A 336 >ILE~B 98 44.47 17.62 144.60 43.60 16.53 144.89 44.04 17.08 144.74 3 0 23.94 -999 ? O2 GOL A 336 >GLY~B 99 46.80 21.04 146.45 46.61 21.20 145.69 46.71 21.12 146.07 1 0 21.68 -999 ? O2 GOL A 336 >ILE~B 100 48.17 23.64 142.46 49.16 23.92 141.53 48.66 23.78 142.00 3 0 16.63 -999 ? O2 GOL A 336 >LEU~B 101 42.88 22.65 142.35 42.53 21.98 140.29 42.71 22.31 141.32 3 0 21.31 -999 ? O2 GOL A 336 >LEU~B 102 42.85 22.98 147.73 41.73 21.12 147.97 42.29 22.05 147.85 3 0 25.45 -999 ? O2 GOL A 336 >ARG~B 103 48.99 26.67 148.19 51.27 27.87 146.41 50.13 27.27 147.30 2 0 17.93 -999 ? O2 GOL A 336 >ASP~B 104 46.77 28.52 143.52 48.60 28.40 144.61 47.68 28.46 144.06 2 0 18.09 -999 ? O2 GOL A 336 >HIS~B 105 43.79 27.53 140.43 45.62 27.84 139.43 44.70 27.69 139.93 3 0 18.20 -999 ? O2 GOL A 336 >CYH.B 106 39.51 28.67 144.93 39.60 31.37 144.89 39.55 30.02 144.91 2 0 25.41 -999 ? O2 GOL A 336 >MET.B 107 38.35 25.07 144.82 37.75 24.60 141.64 38.05 24.84 143.23 2 0 23.18 -999 ? O1 GOL B 336 >ASN.B 108 35.19 24.58 148.45 35.36 26.66 148.59 35.27 25.62 148.52 2 0 29.65 -999 ? O1 GOL B 336 >GLU.B 109 33.56 20.48 146.78 31.70 19.64 147.34 32.63 20.06 147.06 2 0 25.38 -999 ? O1 GOL B 336 >VAL^B 110 37.13 18.05 144.10 39.22 18.09 143.43 38.17 18.07 143.76 3 0 22.19 -999 ? O1 GOL B 336 >ALA^B 111 35.37 15.15 142.44 34.06 15.26 141.72 34.71 15.20 142.08 2 0 18.81 -999 ? O1 GOL B 336 >LEU^B 112 39.03 11.91 141.98 41.18 12.31 142.13 40.10 12.11 142.05 3 0 20.13 -999 ? O1 GOL B 336 >PHE^B 113 35.69 11.81 135.66 34.49 10.81 133.34 35.09 11.31 134.50 3 0 11.38 -999 ? O1 GOL B 336 >ALA^B 114 39.25 8.65 136.26 40.03 7.86 137.31 39.64 8.26 136.79 2 0 15.52 -999 ? O3 GOL B 336 >THR^B 115 39.01 6.67 133.02 38.36 8.15 131.54 38.68 7.41 132.28 2 0 9.51 -999 ? O3 GOL B 336 >SER.B 116 40.98 3.58 131.91 42.46 2.98 130.06 41.72 3.28 130.98 2 0 11.33 -999 ? O3 GOL B 336 >THR~B 117 44.29 3.09 133.77 45.80 2.56 132.34 45.05 2.82 133.05 2 0 15.10 -999 ? O3 GOL B 336 >GLY~B 118 43.75 6.49 135.43 43.49 5.73 135.61 43.62 6.11 135.52 1 0 15.33 -999 ? O3 GOL B 336 >THR~B 119 41.65 4.54 137.97 40.22 3.26 136.91 40.94 3.90 137.44 2 0 15.94 -999 ? O3 GOL B 336 >GLN~B 120 47.16 1.72 139.25 48.75 0.95 138.05 47.95 1.34 138.65 2 0 21.50 -999 ? O3 GOL B 336 >LEU~B 121 46.36 7.68 139.37 47.94 7.65 137.91 47.15 7.67 138.64 3 0 19.80 -999 ? O3 GOL B 336 >VAL~B 122 42.82 7.23 142.07 40.87 7.95 141.43 41.85 7.59 141.75 3 0 20.30 -999 ? O3 GOL B 336 >PHE~B 123 41.50 2.22 143.52 38.96 1.49 142.68 40.23 1.85 143.10 3 0 22.10 -999 ? O3 GOL B 336 >GLU~B 124 49.02 5.24 144.77 49.45 3.77 146.21 49.24 4.51 145.49 2 0 27.78 -999 ? O3 GOL B 336 >LEU~B 125 45.01 9.63 144.96 45.78 11.54 144.44 45.40 10.58 144.70 3 0 24.41 -999 ? O3 GOL B 336 >LEU~B 126 41.28 7.10 147.60 40.10 8.84 147.02 40.69 7.97 147.31 3 0 25.42 -999 ? O3 GOL B 336 >GLU~B 127 46.21 4.12 149.66 46.99 2.17 150.07 46.60 3.15 149.86 2 0 30.43 -999 ? O3 GOL B 336 >ASN~B 128 48.89 7.69 149.96 49.31 5.64 150.39 49.10 6.67 150.17 2 0 31.17 -999 ? O3 GOL B 336 >SER~B 129 46.52 11.76 149.72 45.00 13.48 148.90 45.76 12.62 149.31 2 0 27.61 -999 ? O2 GOL A 336 >ALA.B 130 47.43 14.85 151.73 48.63 15.75 151.43 48.03 15.30 151.58 2 0 26.43 -999 ? O2 GOL A 336 >HIS.B 131 45.44 17.64 149.14 47.34 18.46 148.78 46.39 18.05 148.96 3 0 24.77 -999 ? O2 GOL A 336 >LYS.B 132 41.49 13.48 151.60 44.82 8.75 154.08 43.15 11.12 152.84 2 0 32.97 -999 ? O3 GOL B 336 >SER.B 133 38.97 15.87 153.22 39.76 16.00 155.50 39.36 15.94 154.36 2 0 33.24 -999 ? O1 GOL B 336 >SER.B 134 38.77 17.90 149.99 40.30 19.62 150.87 39.54 18.76 150.43 2 0 29.47 -999 ? O2 GOL A 336 >ILE^B 135 39.33 13.77 147.37 40.34 13.10 146.61 39.83 13.43 146.99 3 0 24.78 -999 ? O1 GOL B 336 >THR^B 136 34.52 14.57 148.34 33.81 16.65 148.39 34.17 15.61 148.36 2 0 25.60 -999 ? O1 GOL B 336 >ARG^B 137 30.53 14.47 145.20 28.47 16.42 146.31 29.50 15.44 145.75 2 0 23.85 -999 ? O1 GOL B 336 >VAL^B 138 34.98 9.66 143.13 36.63 8.47 143.90 35.80 9.06 143.52 3 0 20.49 -999 ? O1 GOL B 336 >ILE^B 139 33.33 9.89 138.64 32.42 10.75 138.07 32.88 10.32 138.35 3 0 14.99 -999 ? O1 GOL B 336 >LEU^B 140 36.06 4.72 138.92 37.62 5.04 140.39 36.84 4.88 139.65 3 0 17.63 -999 ? O3 GOL B 336 >HIS^B 141 34.33 4.63 131.99 33.80 3.58 130.25 34.06 4.10 131.12 3 0 9.82 -999 ? O3 GOL B 336 >GLY^B 142 36.15 0.99 133.19 35.40 1.08 132.95 35.78 1.04 133.07 1 0 12.96 -999 ? O3 GOL B 336 >VAL^B 143 35.74 -1.57 130.45 35.97 -1.34 128.28 35.85 -1.45 129.37 3 0 11.85 -999 ? O3 GOL B 336 >VAL.B 144 35.43 -5.06 131.87 33.85 -4.71 133.36 34.64 -4.89 132.62 3 0 16.60 -999 ? O3 GOL B 336 >CYH.B 145 35.87 -8.54 130.42 38.61 -9.15 130.50 37.24 -8.84 130.46 2 0 19.26 -999 ? O3 GOL B 336 >ASP.B 146 35.10 -13.28 130.60 34.37 -15.01 131.56 34.73 -14.14 131.08 2 0 24.92 -999 ? O3 GOL B 336 >PRO.B 147 35.86 -12.52 135.97 37.12 -12.81 134.11 36.49 -12.67 135.04 3 0 24.34 -999 ? O3 GOL B 336 >GLU.B 148 36.40 -17.62 133.68 37.62 -18.30 135.26 37.01 -17.96 134.47 2 0 29.43 -999 ? O3 GOL B 336 >ASN.B 149 39.83 -12.88 129.67 40.94 -12.03 128.06 40.38 -12.46 128.87 2 0 21.51 -999 ? O3 GOL B 336 >PRO.B 150 43.05 -16.61 127.52 42.84 -15.62 129.53 42.95 -16.12 128.53 3 0 25.95 -999 ? O3 GOL B 336 >LEU.B 151 44.38 -11.05 130.17 45.17 -9.97 128.44 44.78 -10.51 129.30 3 0 21.75 -999 ? O3 GOL B 336 >PHE.B 152 42.10 -10.18 133.59 42.76 -7.67 132.61 42.43 -8.93 133.10 3 0 21.16 -999 ? O3 GOL B 336 >THR~B 153 43.20 -16.13 134.99 43.16 -18.02 133.96 43.18 -17.08 134.48 2 0 29.48 -999 ? O3 GOL B 336 >PRO~B 154 43.52 -18.34 138.83 44.80 -16.95 137.57 44.16 -17.64 138.20 3 0 31.33 -999 ? O3 GOL B 336 >GLY~B 156 47.53 -15.04 133.44 47.70 -15.10 134.23 47.61 -15.07 133.84 1 0 28.16 -999 ? O3 GOL B 336 >CYH~B 157 48.03 -12.78 136.46 45.43 -12.16 137.25 46.73 -12.47 136.85 2 0 26.88 -999 ? O3 GOL B 336 >ALA~B 158 51.17 -14.72 137.50 51.18 -16.17 137.99 51.17 -15.45 137.75 2 0 32.66 -999 ? O3 GOL B 336 >ALA~B 159 52.74 -14.75 134.03 52.17 -15.46 132.81 52.46 -15.10 133.42 2 0 30.47 -999 ? O3 GOL B 336 >ARG~B 160 49.63 -7.99 133.54 47.09 -9.75 133.71 48.36 -8.87 133.63 2 0 23.93 -999 ? O3 GOL B 336 >LYS~B 161 53.72 -10.30 137.16 53.88 -9.58 142.57 53.80 -9.94 139.87 2 0 32.32 -999 ? O3 GOL B 336 >HIS~B 163 56.38 -10.35 130.35 57.03 -9.82 128.44 56.71 -10.08 129.40 3 0 28.50 -999 ? O3 GOL B 336 >VAL~B 164 56.89 -7.31 134.21 55.29 -5.92 134.85 56.09 -6.62 134.53 3 0 27.78 -999 ? O3 GOL B 336 >GLU~B 165 58.53 -8.81 139.04 58.01 -10.37 140.39 58.27 -9.59 139.71 2 0 33.98 -999 ? O3 GOL B 336 >LEU~B 167 59.93 -5.77 131.33 59.01 -6.44 129.47 59.47 -6.10 130.40 3 0 28.65 -999 ? O3 GOL B 336 >MET~B 168 62.05 -4.04 134.91 59.63 -1.89 135.24 60.84 -2.96 135.07 2 0 28.78 -999 ? O3 GOL B 336 >ALA~B 169 65.20 -6.16 135.44 65.21 -7.68 135.68 65.21 -6.92 135.56 2 0 34.62 -999 ? O3 GOL A 336 >GLU~B 170 66.04 -7.56 130.50 64.45 -8.79 129.78 65.24 -8.17 130.14 2 0 33.97 -999 ? O3 GOL B 336 >GLY.B 171 65.56 -1.66 132.35 65.13 -2.16 131.84 65.35 -1.91 132.09 1 0 28.34 -999 ? O3 GOL A 336 >ARG.B 172 63.75 -4.86 127.82 62.30 -6.43 125.61 63.03 -5.64 126.71 2 0 30.29 -999 ? O3 GOL B 336 >GLY.B 173 60.03 -0.17 132.09 60.20 0.12 131.38 60.11 -0.02 131.74 1 0 26.84 -999 ? O3 GOL A 336 >GLU.B 174 58.94 4.88 128.77 60.04 6.13 127.51 59.49 5.50 128.14 2 0 20.79 -999 ? O3 GOL A 336 >ASP~B 175 59.30 -0.94 126.08 58.82 -1.74 124.16 59.06 -1.34 125.12 2 0 24.99 -999 ? O3 GOL B 336 >SER~B 176 54.48 -0.47 126.42 53.43 1.00 124.79 53.95 0.27 125.61 2 0 19.05 -999 ? O3 GOL B 336 >LEU~B 177 55.73 -2.31 122.06 55.12 -0.79 120.67 55.43 -1.55 121.36 3 0 21.78 -999 ? O3 GOL B 336 >ALA~B 178 56.97 -5.21 125.45 58.18 -4.88 126.32 57.57 -5.05 125.88 2 0 26.07 -999 ? O3 GOL B 336 >MET~B 179 53.65 -5.63 127.34 54.06 -5.44 130.46 53.85 -5.54 128.90 2 0 24.05 -999 ? O3 GOL B 336 >LEU~B 180 51.84 -6.24 122.87 51.74 -4.18 122.07 51.79 -5.21 122.47 3 0 20.71 -999 ? O3 GOL B 336 >LYS.B 181 50.76 -10.32 125.01 52.94 -13.21 119.83 51.85 -11.76 122.42 2 0 27.38 -999 ? O3 GOL B 336 >HIS.B 182 52.68 -11.28 129.42 53.93 -12.89 128.92 53.31 -12.08 129.17 3 0 27.50 -999 ? O3 GOL B 336 >TYR.B 183 47.40 -5.45 130.74 45.45 -4.40 132.49 46.42 -4.92 131.61 3 0 19.12 -999 ? O3 GOL B 336 >ASP.B 184 43.78 -6.01 126.81 42.97 -5.88 128.77 43.38 -5.94 127.79 2 0 16.92 -999 ? O3 GOL B 336 >ILE.B 185 44.30 -1.11 128.52 43.31 -0.44 129.14 43.80 -0.78 128.83 3 0 13.52 -999 ? O3 GOL B 336 >PRO.B 186 47.14 0.90 124.59 47.59 -0.22 126.47 47.36 0.34 125.53 3 0 14.18 -999 ? O3 GOL B 336 >ILE.B 187 49.65 -0.51 130.73 49.48 -1.18 131.90 49.56 -0.85 131.31 3 0 18.61 -999 ? O3 GOL B 336 >THR~B 188 54.05 0.54 130.61 54.61 2.62 130.86 54.33 1.58 130.73 2 0 21.25 -999 ? O3 GOL B 336 >PRO~B 189 56.92 -2.78 130.57 55.50 -1.84 132.02 56.21 -2.31 131.29 3 0 24.50 -999 ? O3 GOL B 336 >ALA~B 190 56.70 0.41 135.08 57.47 1.68 134.71 57.08 1.05 134.90 2 0 25.66 -999 ? O3 GOL B 336 >ARG~B 191 51.72 4.22 135.63 48.75 5.00 135.14 50.24 4.61 135.39 2 0 18.39 -999 ? O3 GOL B 336 >LEU~B 192 52.38 -3.48 135.12 50.60 -4.24 134.11 51.49 -3.86 134.62 3 0 23.15 -999 ? O3 GOL B 336 >ALA~B 193 55.45 -3.03 138.46 56.89 -2.72 138.04 56.17 -2.88 138.25 2 0 28.34 -999 ? O3 GOL B 336 >GLY~B 194 54.36 -0.69 141.28 53.95 -1.32 141.05 54.15 -1.00 141.16 1 0 27.85 -999 ? O3 GOL B 336 >GLY.B 195 51.34 -2.82 142.25 51.22 -2.13 141.74 51.28 -2.47 141.99 1 0 27.44 -999 ? O3 GOL B 336 >GLY.B 196 47.90 -1.36 142.91 48.08 -2.04 142.48 47.99 -1.70 142.70 1 0 25.61 -999 ? O3 GOL B 336 >PHE.B 197 43.66 -2.61 142.64 43.79 -4.00 145.05 43.72 -3.31 143.85 3 0 25.56 -999 ? O3 GOL B 336 >PRO.B 198 46.92 -2.75 136.79 45.43 -1.26 137.55 46.18 -2.01 137.17 3 0 20.67 -999 ? O3 GOL B 336 >THR~B 199 41.74 -0.87 136.08 41.98 -1.82 134.13 41.86 -1.34 135.11 2 0 16.55 -999 ? O3 GOL B 336 >LEU~B 200 36.98 -0.99 136.89 36.32 0.91 137.85 36.65 -0.04 137.37 3 0 17.10 -999 ? O3 GOL B 336 >GLN~B 201 39.62 -7.14 134.46 37.74 -7.81 133.74 38.68 -7.48 134.10 2 0 19.64 -999 ? O3 GOL B 336 >GLU~B 202 43.67 -6.02 137.70 43.79 -4.80 135.96 43.73 -5.41 136.83 2 0 20.34 -999 ? O3 GOL B 336 >ALA~B 203 39.90 -3.26 141.39 39.92 -1.77 141.15 39.91 -2.51 141.27 2 0 21.61 -999 ? O3 GOL B 336 >VAL~B 204 36.22 -4.40 141.11 34.70 -2.78 141.07 35.46 -3.59 141.09 3 0 22.09 -999 ? O3 GOL B 336 >TRP~B 205 34.46 -8.57 135.45 30.84 -7.05 135.55 32.65 -7.81 135.50 3 0 20.90 -999 ? O3 GOL B 336 >ASN~B 206 39.13 -9.84 138.76 39.50 -10.01 136.64 39.31 -9.92 137.70 2 0 23.34 -999 ? O3 GOL B 336 >PRO~B 207 38.20 -7.31 142.77 37.64 -9.42 142.28 37.92 -8.36 142.53 3 0 26.12 -999 ? O3 GOL B 336 >CYH~B 208 33.70 -9.30 143.15 32.73 -6.64 143.41 33.22 -7.97 143.28 2 0 25.90 -999 ? O3 GOL B 336 >ILE~B 209 33.26 -12.38 139.32 32.73 -12.52 137.97 32.99 -12.45 138.64 3 0 26.38 -999 ? O3 GOL B 336 >ARG~B 210 38.72 -14.41 140.23 40.25 -14.89 137.59 39.49 -14.65 138.91 2 0 27.92 -999 ? O3 GOL B 336 >LYS.B 211 34.69 -13.12 146.12 31.23 -17.52 147.95 32.96 -15.32 147.04 2 0 36.52 -999 ? O3 GOL B 336 >GLU~B 212 39.28 -12.46 144.66 40.96 -13.71 144.82 40.12 -13.08 144.74 2 0 31.71 -999 ? O3 GOL B 336 >PHE~B 213 34.75 -10.52 150.23 32.36 -11.42 149.10 33.55 -10.97 149.67 3 0 33.40 -999 ? O3 GOL B 336 >ASP~B 214 41.54 -9.66 151.76 40.99 -10.35 153.71 41.27 -10.01 152.73 2 0 36.74 -999 ? O3 GOL B 336 >VAL~B 215 41.40 -7.43 147.65 41.98 -8.36 145.74 41.69 -7.89 146.69 3 0 29.70 -999 ? O3 GOL B 336 >LEU~B 216 36.80 -5.84 147.68 35.59 -6.39 145.91 36.19 -6.11 146.79 3 0 28.28 -999 ? O3 GOL B 336 >ARG~B 217 38.88 -6.19 154.05 35.95 -6.58 154.87 37.41 -6.38 154.46 2 0 35.68 -999 ? O3 GOL B 336 >ARG~B 218 45.32 -5.39 149.46 48.34 -5.75 148.84 46.83 -5.57 149.15 2 0 32.37 -999 ? O3 GOL B 336 >SER~B 219 40.62 -1.02 146.44 39.16 -2.67 145.27 39.89 -1.85 145.86 2 0 25.54 -999 ? O3 GOL B 336 >VAL~B 220 37.08 0.36 146.99 35.65 -1.07 146.10 36.36 -0.36 146.54 3 0 25.63 -999 ? O3 GOL B 336 >GLY~B 221 37.56 -0.02 150.78 37.86 0.53 150.25 37.71 0.26 150.52 1 0 29.62 -999 ? O3 GOL B 336 >VAL~B 222 39.90 2.98 150.70 41.72 2.51 149.55 40.81 2.74 150.13 3 0 28.71 -999 ? O3 GOL B 336 >ILE~B 223 36.45 4.89 147.80 36.27 5.16 146.39 36.36 5.02 147.09 3 0 24.80 -999 ? O1 GOL B 336 >LYS.B 224 35.39 6.82 152.14 38.01 3.12 155.44 36.70 4.97 153.79 2 0 33.51 -999 ? O1 GOL B 336 >VAL.B 225 33.26 9.23 150.08 34.88 10.60 149.53 34.07 9.92 149.81 3 0 26.49 -999 ? O1 GOL B 336 >PRO.B 226 29.40 10.64 148.51 30.88 9.03 148.07 30.14 9.83 148.29 3 0 25.06 -999 ? O1 GOL B 336 >LEU^B 227 32.14 5.23 145.06 33.59 3.95 144.02 32.86 4.59 144.54 3 0 22.17 -999 ? O1 GOL B 336 >LEU^B 228 29.79 7.42 140.15 28.25 7.41 138.59 29.02 7.42 139.37 3 0 16.82 -999 ? O1 GOL B 336 >LEU^B 229 31.37 1.78 139.48 32.87 1.19 140.94 32.12 1.48 140.21 3 0 19.42 -999 ? O3 GOL B 336 >MET^B 230 30.64 3.51 135.21 30.87 7.61 134.54 30.76 5.56 134.88 2 0 11.85 -999 ? O1 GOL B 336 >LEU^B 231 30.56 -1.08 134.43 31.41 -1.80 136.30 30.98 -1.44 135.36 3 0 16.87 -999 ? O3 GOL B 336 >ALA^B 232 31.21 -0.86 129.90 31.69 0.23 128.97 31.45 -0.31 129.43 2 0 11.10 -999 ? C3 GOL B 336 >HIS.B 233 30.23 -5.31 128.66 28.16 -5.59 128.55 29.20 -5.45 128.61 3 0 16.29 -999 ? C3 GOL B 336 >ASN.B 234 33.80 -5.88 123.72 33.47 -6.65 121.75 33.63 -6.26 122.74 2 0 14.95 -999 ? O3 GOL B 336 >VAL.B 235 29.25 -6.48 122.86 27.97 -5.94 121.11 28.61 -6.21 121.99 3 0 15.89 -999 ? C3 GOL B 336 >GLN.B 236 33.21 -10.33 123.35 35.13 -10.07 122.40 34.17 -10.20 122.88 2 0 18.18 -999 ? O3 GOL B 336 >TYR.B 237 32.04 -9.88 128.93 32.07 -10.56 131.64 32.05 -10.22 130.29 3 0 20.33 -999 ? O3 GOL B 336 >PRO.B 239 28.68 -8.28 131.69 27.81 -10.33 131.39 28.24 -9.30 131.54 3 0 21.10 -999 ? C3 GOL B 336 >SER~B 240 25.24 -12.69 133.88 24.58 -14.43 135.44 24.91 -13.56 134.66 2 0 28.32 -999 ? C3 GOL B 336 >ASP~B 241 20.95 -11.40 135.92 19.94 -10.51 134.29 20.45 -10.95 135.11 2 0 26.89 -999 ? C3 GOL B 336 >GLU~B 242 24.67 -15.26 139.99 26.12 -16.77 139.68 25.40 -16.02 139.84 2 0 31.86 -999 ? O3 GOL B 336 >GLU~B 243 29.14 -12.96 136.93 29.41 -14.04 135.13 29.27 -13.50 136.03 2 0 26.38 -999 ? O3 GOL B 336 >VAL~B 244 25.81 -8.01 137.95 24.67 -6.81 136.46 25.24 -7.41 137.20 3 0 23.80 -999 ? C3 GOL B 336 >GLY~B 245 24.17 -8.74 141.36 24.97 -8.85 141.14 24.57 -8.79 141.25 1 0 27.82 -999 ? C3 GOL B 336 >THR~B 246 27.40 -10.13 142.82 28.40 -12.05 142.79 27.90 -11.09 142.80 2 0 29.66 -999 ? O3 GOL B 336 >VAL~B 247 29.34 -7.08 141.72 30.43 -6.53 139.89 29.89 -6.81 140.80 3 0 24.48 -999 ? O3 GOL B 336 >LEU~B 248 25.23 -4.64 142.65 23.85 -3.01 143.09 24.54 -3.82 142.87 3 0 25.92 -999 ? O1 GOL B 336 >GLU~B 249 25.51 -7.78 148.15 24.74 -9.64 148.70 25.13 -8.71 148.43 2 0 33.62 -999 ? C3 GOL B 336 >GLY~B 250 30.42 -6.83 146.54 29.99 -6.15 146.43 30.21 -6.49 146.49 1 0 28.96 -999 ? O3 GOL B 336 >VAL~B 251 31.01 -3.13 145.90 31.32 -1.84 144.14 31.17 -2.49 145.02 3 0 25.47 -999 ? O3 GOL B 336 >ARG~B 252 24.68 -1.31 146.98 22.37 0.14 145.51 23.52 -0.58 146.24 2 0 26.78 -999 ? O1 GOL B 336 >ASP~B 253 29.10 -5.69 151.28 27.04 -6.30 151.23 28.07 -6.00 151.26 2 0 33.38 -999 ? O1 GOL B 336 >HIS~B 254 33.45 -5.89 150.73 32.72 -7.79 151.25 33.08 -6.84 150.99 3 0 32.43 -999 ? O3 GOL B 336 >THR~B 255 33.40 0.26 149.89 32.87 1.54 148.20 33.14 0.90 149.04 2 0 26.64 -999 ? O1 GOL B 336 >GLY.B 256 34.33 2.54 152.83 33.78 2.76 152.29 34.05 2.65 152.56 1 0 30.75 -999 ? O1 GOL B 336 >CYH.B 257 31.30 4.71 152.13 30.07 7.12 151.45 30.68 5.92 151.79 2 0 28.47 -999 ? O1 GOL B 336 >ARG.B 259 25.10 8.87 150.13 22.16 8.46 149.22 23.63 8.67 149.67 2 0 27.99 -999 ? O1 GOL B 336 >VAL^B 260 28.05 3.73 145.97 29.66 2.22 146.05 28.86 2.97 146.01 3 0 24.38 -999 ? O1 GOL B 336 >THR^B 261 26.32 3.84 142.58 24.94 5.35 141.81 25.63 4.59 142.19 2 0 20.80 -999 ? O1 GOL B 336 >VAL^B 262 27.03 1.20 139.89 27.92 -0.72 140.37 27.47 0.24 140.13 3 0 20.68 -999 ? O1 GOL B 336 >SER^B 263 25.79 2.02 136.38 24.70 4.07 137.10 25.24 3.05 136.74 2 0 17.38 -999 ? O1 GOL B 336 >TYR^B 264 26.17 -2.08 133.93 27.25 -3.76 135.90 26.71 -2.92 134.92 3 0 18.84 -999 ? C3 GOL B 336 >PHE.B 265 27.49 4.09 131.18 26.88 5.50 133.51 27.19 4.80 132.35 3 0 12.30 -999 ? O1 GOL B 336 >ASN.B 266 25.00 1.40 125.35 23.35 0.44 126.27 24.17 0.92 125.81 2 0 14.43 -999 ? C3 GOL B 336 >ASP.B 267 31.02 2.58 125.96 30.60 3.96 127.54 30.81 3.27 126.75 2 0 8.09 -999 ? C3 GOL B 336 >THR^B 268 31.27 0.71 121.92 30.66 0.86 119.83 30.97 0.79 120.87 2 0 8.91 -999 ? C3 GOL B 336 >CYH^B 269 34.53 -1.01 122.93 33.63 -0.63 125.54 34.08 -0.82 124.23 2 0 9.56 -999 ? O3 GOL B 336 >ASP.B 270 38.50 -2.50 120.39 40.03 -2.10 121.84 39.27 -2.30 121.11 2 0 11.00 -999 ? O3 GOL B 336 >GLU.B 271 37.00 -7.79 120.25 37.10 -9.39 118.88 37.05 -8.59 119.56 2 0 17.86 -999 ? O3 GOL B 336 >LEU.B 272 42.35 -4.75 123.31 43.60 -6.18 122.27 42.97 -5.46 122.79 3 0 15.29 -999 ? O3 GOL B 336 >ARG.B 273 39.19 -5.26 129.77 41.21 -4.00 131.73 40.20 -4.63 130.75 2 0 16.19 -999 ? O3 GOL B 336 >ARG.B 274 42.85 1.53 124.40 44.69 2.52 122.14 43.77 2.02 123.27 2 0 10.40 -999 ? O3 GOL B 336 >VAL^B 275 36.27 2.62 124.36 35.00 3.74 125.78 35.63 3.18 125.07 3 0 5.62 -999 ? O3 GOL B 336 >LEU^B 276 35.54 2.48 119.59 36.91 0.92 118.90 36.22 1.70 119.24 3 0 -7.11 -999 ? O3 GOL B 336s >ALA.B 278 31.11 6.46 124.47 31.66 7.56 125.38 31.39 7.01 124.93 2 0 -4.31 -999 ? O1 GOL B 336s >ALA~B 279 27.36 6.49 125.02 26.57 5.51 125.82 26.96 6.00 125.42 2 0 8.68 -999 ? O1 GOL B 336 >GLU~B 280 28.44 12.19 123.48 30.01 11.41 122.30 29.23 11.80 122.89 2 0 -2.80 -999 ? O1 GOL B 336s >SER~B 281 24.16 11.31 126.59 22.68 11.99 124.77 23.42 11.65 125.68 2 0 10.03 -999 ? O1 GOL B 336 >GLU~B 282 23.53 6.40 127.68 23.72 4.28 127.34 23.63 5.34 127.51 2 0 11.96 -999 ? O1 GOL B 336 >HIS~B 283 29.63 8.20 129.52 30.62 6.41 129.09 30.13 7.31 129.31 3 0 7.53 -999 ? O1 GOL B 336 >VAL~B 284 26.75 13.11 130.99 26.83 14.88 129.67 26.79 14.00 130.33 3 0 9.44 -999 ? O1 GOL B 336 >ALA~B 285 23.38 12.35 132.63 22.21 11.68 131.92 22.79 12.01 132.27 2 0 13.44 -999 ? O1 GOL B 336 >ALA~B 286 24.84 9.78 135.05 25.51 8.48 134.65 25.17 9.13 134.85 2 0 13.58 -999 ? O1 GOL B 336 >ILE~B 287 28.74 12.78 135.31 30.13 12.91 134.97 29.44 12.84 135.14 3 0 12.27 -999 ? O1 GOL B 336 >LEU~B 288 24.36 15.95 135.49 25.01 17.54 134.13 24.68 16.75 134.81 3 0 14.92 -999 ? O1 GOL B 336 >GLN~B 289 20.81 12.75 136.91 19.13 11.48 136.66 19.97 12.11 136.78 2 0 18.90 -999 ? O1 GOL B 336 >PHE~B 290 27.53 10.42 141.33 29.53 9.95 143.22 28.53 10.19 142.28 3 0 19.34 -999 ? O1 GOL B 336 >LEU~B 291 27.52 15.86 140.86 29.65 15.65 140.51 28.58 15.76 140.69 3 0 18.31 -999 ? O1 GOL B 336 >ALA~B 292 23.27 16.39 142.31 22.32 16.74 141.16 22.79 16.57 141.74 2 0 21.24 -999 ? O1 GOL B 336 >ASP~B 293 21.74 12.00 143.79 20.05 11.81 142.52 20.90 11.90 143.15 2 0 22.88 -999 ? O1 GOL B 336 >GLU~B 294 26.46 11.57 145.61 25.52 10.08 146.75 25.99 10.83 146.18 2 0 24.43 -999 ? O1 GOL B 336 >ASP~B 295 24.20 18.17 145.81 25.97 19.03 145.07 25.08 18.60 145.44 2 0 23.95 -999 ? O1 GOL B 336 >ARG~B 298 28.02 17.83 151.82 29.27 18.61 149.12 28.65 18.22 150.47 2 0 26.96 -999 ? O1 GOL B 336 >THR~B 299 22.39 18.75 152.74 22.27 19.89 150.87 22.33 19.32 151.81 2 0 30.59 -999 ? O1 GOL B 336 >THR.B 301 21.23 17.81 157.99 22.75 19.37 157.60 21.99 18.59 157.79 2 0 36.50 -999 ? O1 GOL B 336