REMARK SOURCE hebe.pdb HEADER UNKNOWN FUNCTION 02-FEB-10 3LNL COMPND UPF0135 PROTEIN SA1388; COMPND 3 CHAIN: A, B; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS SUBSP. AUREUS; SOURCE 3 ORGANISM_TAXID: 158879; SOURCE 4 STRAIN: N315; SOURCE 5 GENE: SA1388; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3); SOURCE 7 EXPRESSION_SYSTEM_TAXID: 469008; SOURCE 8 EXPRESSION_SYSTEM_STRAIN: BL21(DE3); SOURCE 9 EXPRESSION_SYSTEM_VECTOR_TYPE: P-PROEX; SOURCE 10 EXPRESSION_SYSTEM_VECTOR: P-PROEX AUTHOR K.S.SINGH,M.CHRUSZCZ,X.ZHANG,W.MINOR,H.ZHANG HET ZN A 401 1 HET ZN A 402 1 HET B3P A 371 19 HET ZN B 401 1 HET ZN B 402 1 HET B3P B 371 19 SITE 1 AC1 7 HIS A 68 ASP A 106 GLU A 333 B3P A 371 SITE 1 AC2 8 HIS A 69 HIS A 330 GLU A 333 B3P A 371 SITE 1 AC3 14 TRP A 26 ASP A 106 LEU A 242 GLY A 287 SITE 1 AC4 8 HOH A 656 HIS B 69 HIS B 330 GLU B 333 SITE 1 AC5 7 HIS B 68 ASP B 106 GLU B 333 B3P B 371 SITE 1 AC6 13 TRP B 26 ASP B 106 LEU B 242 GLY B 287 >ASP.A 3 -33.06 143.45 -25.97 -34.02 141.58 -25.92 -33.54 142.51 -25.94 2 0 29.45 -999 ? ZN ZN A 401 >PRO.A 4 -30.68 146.07 -22.10 -32.12 144.80 -23.29 -31.40 145.44 -22.70 3 0 32.06 -999 ? ZN ZN A 401 >MET.A 5 -33.99 141.06 -22.02 -33.83 136.91 -21.87 -33.91 138.99 -21.95 2 0 23.59 -999 ? ZN ZN A 401 >LYS~A 6 -36.49 141.54 -19.20 -38.95 147.30 -19.94 -37.72 144.42 -19.57 2 0 31.92 -999 ? ZN ZN A 401 >ILE~A 7 -38.36 139.02 -15.51 -37.93 137.70 -14.79 -38.15 138.36 -15.15 3 0 22.17 -999 ? ZN ZN A 401 >ALA~A 8 -41.20 139.21 -19.09 -42.06 140.56 -19.39 -41.63 139.89 -19.24 2 0 25.42 -999 ? ZN ZN A 401 >ASP~A 9 -38.14 139.21 -22.93 -38.85 141.15 -23.22 -38.50 140.18 -23.08 2 0 27.30 -999 ? ZN ZN A 401 >LEU~A 10 -36.62 135.46 -19.30 -35.19 133.91 -18.66 -35.90 134.69 -18.98 3 0 19.99 -999 ? ZN ZN A 401 >MET~A 11 -40.87 134.07 -19.47 -41.33 133.28 -16.37 -41.10 133.68 -17.92 2 0 17.54 -999 ? ZN ZN A 401 >THR~A 12 -42.18 134.26 -23.06 -42.94 135.85 -24.32 -42.56 135.05 -23.69 2 0 23.46 -999 ? ZN ZN A 401 >LEU~A 13 -37.73 132.87 -24.26 -36.14 132.38 -25.63 -36.94 132.62 -24.95 3 0 21.17 -999 ? ZN ZN A 401 >LEU~A 14 -39.15 129.85 -20.17 -37.33 130.20 -19.02 -38.24 130.03 -19.59 3 0 15.82 -999 ? ZN ZN A 401 >ASP~A 15 -44.06 130.37 -22.15 -46.01 129.61 -22.24 -45.04 129.99 -22.19 2 0 18.15 -999 ? ZN ZN A 401 >HIS~A 16 -41.38 129.30 -28.31 -41.34 128.57 -30.28 -41.36 128.93 -29.30 3 0 21.82 -999 ? ZN ZN A 401 >HIS~A 17 -37.78 126.95 -26.45 -37.01 127.80 -28.21 -37.40 127.38 -27.33 3 0 19.36 -999 ? ZN ZN A 401 >VAL~A 18 -41.38 124.39 -22.27 -39.84 123.57 -20.98 -40.61 123.98 -21.63 3 0 12.67 -999 ? ZN ZN A 401 >PRO~A 19 -45.19 124.48 -24.31 -44.39 125.17 -22.32 -44.79 124.83 -23.31 3 0 15.41 -999 ? ZN ZN A 401 >PHE~A 20 -44.75 128.26 -17.75 -42.14 129.20 -17.26 -43.44 128.73 -17.50 3 0 14.16 -999 ? ZN ZN A 401 >SER~A 21 -49.59 125.00 -19.52 -49.80 124.92 -21.92 -49.70 124.96 -20.72 2 0 15.24 -999 ? O3 B3P A 371 >THR~A 22 -48.18 121.43 -19.78 -46.62 121.40 -21.33 -47.40 121.41 -20.55 2 0 12.03 -999 ? O3 B3P A 371 >ALA~A 23 -47.60 121.56 -15.99 -47.21 122.81 -15.18 -47.40 122.19 -15.58 2 0 9.16 -999 ? O3 B3P A 371 >GLU.A 24 -48.98 117.43 -13.22 -50.25 116.20 -14.32 -49.61 116.82 -13.77 2 0 5.45 -999 ? O3 B3P A 371 >SER.A 25 -53.09 121.65 -12.54 -54.84 120.07 -11.96 -53.97 120.86 -12.25 2 0 8.55 -999 ? C7 B3P A 371 >TRP.A 26 -51.65 117.79 -9.49 -47.76 118.11 -9.04 -49.70 117.95 -9.27 3 0 -3.65 -999 ? C7 B3P A 371s >ASP.A 27 -47.69 122.20 -10.88 -45.61 122.04 -10.59 -46.65 122.12 -10.73 2 0 7.07 -999 ? C10 B3P A 371 >ASN.A 28 -46.97 126.50 -7.63 -47.13 128.60 -7.26 -47.05 127.55 -7.44 2 0 11.88 -999 ? C5 B3P A 371 >VAL.A 29 -44.95 127.21 -12.05 -45.62 125.56 -13.38 -45.28 126.39 -12.72 3 0 11.44 -999 ? C10 B3P A 371 >GLY^A 30 -43.79 130.44 -13.71 -43.44 130.23 -12.98 -43.62 130.33 -13.34 1 0 14.70 -999 ? ZN ZN A 401 >LEU^A 31 -42.69 134.99 -12.69 -41.42 136.72 -12.15 -42.05 135.85 -12.42 3 0 19.49 -999 ? ZN ZN A 401 >LEU^A 32 -42.47 131.56 -7.74 -43.47 129.63 -8.13 -42.97 130.59 -7.94 3 0 14.69 -999 ? ZN ZN A 402 >ILE^A 33 -40.06 135.26 -5.78 -39.72 135.06 -4.49 -39.89 135.16 -5.13 3 0 18.97 -999 ? ZN ZN A 402 >GLY.A 34 -39.99 138.84 -8.76 -40.78 138.90 -8.67 -40.38 138.87 -8.72 1 0 22.46 -999 ? ZN ZN A 401 >ASP.A 35 -40.05 142.99 -10.55 -40.76 144.77 -11.31 -40.40 143.88 -10.93 2 0 28.25 -999 ? ZN ZN A 401 >GLU.A 36 -43.67 141.83 -15.53 -45.30 141.25 -16.70 -44.49 141.54 -16.11 2 0 25.91 -999 ? ZN ZN A 401 >ASP.A 37 -40.71 145.86 -15.24 -40.04 147.48 -16.47 -40.38 146.67 -15.85 2 0 31.35 -999 ? ZN ZN A 401 >VAL.A 38 -36.54 143.90 -14.40 -35.74 143.56 -12.42 -36.14 143.73 -13.41 3 0 27.47 -999 ? ZN ZN A 401 >GLU.A 39 -33.47 145.49 -18.26 -32.32 147.14 -18.91 -32.89 146.31 -18.58 2 0 32.31 -999 ? ZN ZN A 401 >VAL.A 40 -32.03 139.91 -16.48 -32.72 137.92 -17.08 -32.37 138.92 -16.78 3 0 24.10 -999 ? ZN ZN A 401 >THR.A 41 -28.35 140.15 -15.50 -28.28 141.00 -13.49 -28.31 140.57 -14.50 2 0 27.00 -999 ? ZN ZN A 401 >GLY.A 42 -27.71 136.40 -15.67 -28.48 136.56 -15.31 -28.10 136.48 -15.49 1 0 23.50 -999 ? ZN ZN A 401 >VAL^A 43 -29.43 133.09 -14.98 -31.13 132.56 -16.26 -30.28 132.82 -15.62 3 0 19.20 -999 ? ZN ZN A 401 >LEU^A 44 -28.20 130.77 -10.95 -26.70 129.99 -9.60 -27.45 130.38 -10.27 3 0 18.37 -999 ? ZN ZN A 402 >THR^A 45 -30.23 126.99 -12.70 -29.64 126.24 -14.61 -29.93 126.62 -13.66 2 0 14.22 -999 ? ZN ZN A 401 >ALA^A 46 -31.18 124.97 -9.62 -31.44 126.01 -8.48 -31.31 125.49 -9.05 2 0 12.32 -999 ? ZN ZN A 402 >LEU.A 47 -32.48 120.55 -8.01 -33.55 118.65 -7.86 -33.01 119.60 -7.94 3 0 6.90 -999 ? ZN ZN A 402 >ASP.A 48 -34.00 122.50 -3.86 -35.34 120.86 -3.93 -34.67 121.68 -3.89 2 0 7.07 -999 ? ZN ZN A 402 >CYH.A 49 -33.64 127.04 -4.43 -33.87 129.79 -4.73 -33.75 128.42 -4.58 2 0 14.73 -999 ? ZN ZN A 402 >THR~A 50 -31.92 126.83 -1.04 -30.49 125.19 -1.17 -31.20 126.01 -1.11 2 0 14.04 -999 ? ZN ZN A 402 >LEU~A 51 -30.30 129.87 2.43 -30.32 131.81 3.49 -30.31 130.84 2.96 3 0 20.10 -999 ? ZN ZN A 402 >GLU~A 52 -25.73 127.17 1.34 -24.87 125.20 1.73 -25.30 126.19 1.53 2 0 19.33 -999 ? ZN ZN A 402 >VAL~A 53 -28.25 128.89 -3.99 -29.37 127.56 -5.36 -28.81 128.22 -4.68 3 0 16.02 -999 ? ZN ZN A 402 >VAL~A 54 -29.56 132.45 -3.38 -31.36 133.37 -2.51 -30.46 132.91 -2.94 3 0 19.29 -999 ? ZN ZN A 402 >ASN~A 55 -25.48 132.80 -0.68 -26.49 133.33 1.14 -25.98 133.07 0.23 2 0 22.98 -999 ? ZN ZN A 402 >GLU~A 56 -23.84 129.97 -6.72 -24.33 128.00 -7.35 -24.09 128.98 -7.03 2 0 18.80 -999 ? ZN ZN A 402 >ALA~A 57 -26.69 133.99 -7.38 -28.20 134.04 -7.44 -27.45 134.01 -7.41 2 0 20.75 -999 ? ZN ZN A 402 >ILE~A 58 -26.11 137.33 -3.88 -26.75 137.94 -2.74 -26.43 137.63 -3.31 3 0 25.16 -999 ? ZN ZN A 402 >GLU~A 59 -20.27 134.64 -4.59 -20.26 132.96 -3.21 -20.27 133.80 -3.90 2 0 25.54 -999 ? ZN ZN A 402 >LYS~A 60 -22.15 135.69 -9.28 -20.85 130.73 -8.66 -21.50 133.21 -8.97 2 0 23.24 -999 ? ZN ZN A 402 >GLY~A 61 -24.04 138.91 -9.96 -24.34 138.17 -10.05 -24.19 138.54 -10.00 1 0 27.17 -999 ? ZN ZN A 402 >TYR.A 62 -25.92 135.06 -12.32 -23.85 134.09 -13.86 -24.88 134.57 -13.09 3 0 23.30 -999 ? ZN ZN A 401 >ASN.A 63 -31.02 139.83 -10.81 -31.57 140.21 -12.82 -31.30 140.02 -11.82 2 0 25.01 -999 ? ZN ZN A 401 >THR^A 64 -32.51 135.35 -11.98 -33.58 135.71 -13.87 -33.04 135.53 -12.93 2 0 20.22 -999 ? ZN ZN A 401 >ILE^A 65 -32.71 131.51 -9.18 -32.11 131.15 -7.93 -32.41 131.33 -8.56 3 0 16.38 -999 ? ZN ZN A 402 >ILE^A 66 -34.69 128.77 -14.05 -35.20 128.89 -15.40 -34.94 128.83 -14.72 3 0 13.53 -999 ? ZN ZN A 401 >SER^A 67 -35.40 126.06 -10.23 -37.10 126.61 -8.52 -36.25 126.34 -9.37 2 0 10.42 -999 ? ZN ZN A 402 >HIS.A 68 -37.46 120.39 -11.50 -38.87 119.03 -12.26 -38.16 119.71 -11.88 3 0 -3.48 -999 ? ZN ZN A 401s >HIS.A 69 -38.08 120.43 -6.58 -37.62 118.38 -6.66 -37.85 119.40 -6.62 3 0 -3.50 -999 ? ZN ZN A 402s >PRO.A 70 -43.03 123.95 -6.91 -40.96 124.82 -6.88 -42.00 124.38 -6.90 3 0 8.53 -999 ? ZN ZN A 402 >LEU.A 71 -39.05 128.50 -3.59 -37.87 129.19 -1.92 -38.46 128.84 -2.75 3 0 13.47 -999 ? ZN ZN A 402 >ILE.A 72 -44.09 129.72 -3.18 -44.53 131.01 -2.74 -44.31 130.37 -2.96 3 0 13.81 -999 ? O4 B3P A 371 >PHE.A 73 -46.01 122.87 -3.88 -47.60 120.79 -4.96 -46.80 121.83 -4.42 3 0 4.95 -999 ? O4 B3P A 371 >LYS.A 74 -48.78 125.51 -1.27 -51.17 122.94 -3.63 -49.97 124.23 -2.45 2 0 6.52 -999 ? C5 B3P A 371 >GLY.A 75 -49.54 129.05 -0.32 -49.28 128.45 0.16 -49.41 128.75 -0.08 1 0 12.77 -999 ? C5 B3P A 371 >VAL.A 76 -47.23 130.45 2.35 -45.57 131.22 1.30 -46.40 130.84 1.82 3 0 15.17 -999 ? O4 B3P A 371 >THR.A 77 -49.15 131.88 5.28 -50.07 130.16 6.20 -49.61 131.02 5.74 2 0 17.05 -999 ? O4 B3P A 371 >SER.A 78 -46.25 133.88 6.66 -45.44 132.64 8.56 -45.84 133.26 7.61 2 0 20.29 -999 ? O4 B3P A 371 >LEU.A 79 -43.03 136.32 4.41 -43.67 135.63 2.42 -43.35 135.98 3.42 3 0 20.86 -999 ? O4 B3P A 371 >LYS.A 80 -40.72 135.47 8.64 -43.91 132.63 12.74 -42.32 134.05 10.69 2 0 23.29 -999 ? O4 B3P A 371 >ALA.A 81 -36.93 135.42 9.10 -36.11 136.57 9.76 -36.52 135.99 9.43 2 0 26.49 -999 ? O4 B3P A 371 >ASN.A 82 -38.00 131.43 10.75 -38.04 129.44 11.46 -38.02 130.43 11.11 2 0 21.98 -999 ? O4 B3P A 371 >GLY~A 83 -37.12 128.49 7.49 -36.89 129.25 7.22 -37.00 128.87 7.36 1 0 19.24 -999 ? O4 B3P A 371 >TYR~A 84 -39.14 126.77 2.96 -38.54 124.09 2.48 -38.84 125.43 2.72 3 0 13.75 -999 ? O4 B3P A 371 >GLY~A 85 -39.21 132.55 4.91 -38.47 132.20 4.74 -38.84 132.37 4.83 1 0 19.74 -999 ? O4 B3P A 371 >LEU~A 86 -34.55 132.49 5.85 -33.23 132.96 7.43 -33.89 132.72 6.64 3 0 22.47 -999 ? ZN ZN A 402 >ILE~A 87 -35.16 130.86 0.97 -34.69 129.60 0.46 -34.92 130.23 0.71 3 0 16.82 -999 ? ZN ZN A 402 >ILE~A 88 -39.50 133.79 0.53 -40.81 133.28 0.39 -40.15 133.53 0.46 3 0 18.62 -999 ? O4 B3P A 371 >ARG~A 89 -38.60 137.11 5.66 -38.65 140.00 6.82 -38.62 138.55 6.24 2 0 26.94 -999 ? O4 B3P A 371 >LYS~A 90 -33.53 137.12 0.86 -27.82 135.69 2.65 -30.67 136.41 1.75 2 0 24.72 -999 ? ZN ZN A 402 >LEU~A 91 -35.63 135.88 -3.42 -35.17 133.88 -4.18 -35.40 134.88 -3.80 3 0 19.29 -999 ? ZN ZN A 402 >ILE~A 92 -38.21 139.91 -1.62 -39.63 140.01 -1.52 -38.92 139.96 -1.57 3 0 24.39 -999 ? ZN ZN A 402 >GLN~A 93 -35.18 142.04 1.87 -34.84 141.93 3.95 -35.01 141.98 2.91 2 0 28.47 -999 ? ZN ZN A 402 >HIS~A 94 -29.92 140.30 -1.80 -28.95 140.49 0.05 -29.44 140.40 -0.87 3 0 26.81 -999 ? ZN ZN A 402 >ASP.A 95 -33.63 143.19 -6.68 -34.30 144.81 -5.56 -33.96 144.00 -6.12 2 0 28.91 -999 ? ZN ZN A 402 >ILE.A 96 -32.77 137.21 -6.51 -31.43 137.08 -7.11 -32.10 137.15 -6.81 3 0 21.93 -999 ? ZN ZN A 402 >ASN^A 97 -36.43 137.41 -10.92 -36.23 139.51 -10.87 -36.33 138.46 -10.90 2 0 23.21 -999 ? ZN ZN A 401 >LEU^A 98 -37.42 132.60 -7.67 -37.00 130.53 -7.02 -37.21 131.56 -7.35 3 0 15.29 -999 ? ZN ZN A 402 >ILE^A 99 -38.48 131.43 -13.28 -38.53 131.94 -14.57 -38.51 131.68 -13.93 3 0 15.38 -999 ? ZN ZN A 401 >ALA^A 100 -40.07 127.59 -11.35 -41.05 127.25 -10.17 -40.56 127.42 -10.76 2 0 10.88 -999 ? ZN ZN A 401 >MET.A 101 -40.06 125.18 -14.32 -37.72 126.86 -17.34 -38.89 126.02 -15.83 2 0 12.03 -999 ? ZN ZN A 401 >HIS~A 102 -42.24 121.28 -10.34 -42.29 119.63 -9.04 -42.26 120.45 -9.69 3 0 4.84 -999 ? O2 B3P A 371 >THR~A 103 -43.88 119.59 -14.00 -45.62 119.22 -12.80 -44.75 119.41 -13.40 2 0 4.88 -999 ? O3 B3P A 371 >ASN~A 104 -44.00 122.84 -17.81 -42.86 124.34 -16.78 -43.43 123.59 -17.30 2 0 10.02 -999 ? ZN ZN A 401 >LEU~A 105 -38.91 120.92 -16.59 -36.88 121.43 -17.29 -37.90 121.18 -16.94 3 0 7.39 -999 ? ZN ZN A 401 >ASP~A 106 -41.67 116.42 -14.91 -40.59 116.67 -13.13 -41.13 116.54 -14.02 2 0 2.01 -999 ? ZN ZN A 401s >VAL~A 107 -43.11 116.21 -19.22 -45.12 116.93 -18.61 -44.11 116.57 -18.92 3 0 7.93 -999 ? O3 B3P A 371 >ASN.A 108 -40.21 119.28 -21.64 -39.90 120.38 -23.43 -40.06 119.83 -22.53 2 0 12.61 -999 ? ZN ZN A 401 >PRO.A 109 -41.13 117.05 -26.15 -39.86 116.50 -24.33 -40.49 116.77 -25.24 3 0 13.85 -999 ? ZN ZN A 401 >HIS.A 110 -35.74 118.69 -26.07 -35.85 118.35 -28.13 -35.79 118.52 -27.10 3 0 16.24 -999 ? ZN ZN A 401 >GLY~A 111 -36.86 117.78 -20.05 -36.51 117.12 -20.33 -36.68 117.45 -20.19 1 0 9.12 -999 ? ZN ZN A 401 >VAL~A 112 -35.95 115.92 -16.87 -36.53 116.23 -14.76 -36.24 116.08 -15.81 3 0 5.52 -999 ? ZN ZN A 401 >ASN~A 113 -37.82 111.76 -18.13 -38.68 111.93 -16.19 -38.25 111.85 -17.16 2 0 6.69 -999 ? ZN ZN A 401 >MET~A 114 -34.68 112.95 -21.49 -33.61 112.82 -24.54 -34.14 112.89 -23.01 2 0 14.87 -999 ? ZN ZN A 401 >MET~A 115 -31.88 114.40 -19.39 -32.72 118.23 -18.13 -32.30 116.32 -18.76 2 0 9.72 -999 ? ZN ZN A 401 >LEU~A 116 -32.92 110.91 -16.17 -33.04 111.44 -14.06 -32.98 111.17 -15.11 3 0 9.25 -999 ? ZN ZN A 401 >ALA~A 117 -31.82 108.98 -20.04 -32.92 108.83 -21.04 -32.37 108.90 -20.54 2 0 14.00 -999 ? ZN ZN A 401 >LYS~A 118 -28.99 110.87 -21.74 -28.14 111.12 -26.78 -28.56 110.99 -24.26 2 0 19.88 -999 ? ZN ZN A 401 >VAL~A 119 -26.86 111.00 -18.52 -26.78 112.31 -16.82 -26.82 111.66 -17.67 3 0 15.00 -999 ? ZN ZN A 401 >MET~A 120 -27.37 107.24 -18.44 -30.84 106.22 -16.40 -29.10 106.73 -17.42 2 0 14.39 -999 ? ZN ZN A 401 >GLY.A 121 -26.09 106.87 -22.02 -26.84 106.70 -21.80 -26.47 106.78 -21.91 1 0 19.67 -999 ? ZN ZN A 401 >LEU.A 122 -30.63 105.32 -22.45 -30.67 104.11 -20.61 -30.65 104.71 -21.53 3 0 17.93 -999 ? ZN ZN A 401 >LYS^A 123 -30.65 105.03 -26.89 -25.62 104.03 -28.57 -28.13 104.53 -27.73 2 0 25.39 -999 ? ZN ZN A 401 >ASN^A 124 -34.38 103.83 -29.07 -33.20 103.13 -30.74 -33.79 103.48 -29.91 2 0 24.36 -999 ? ZN ZN A 401 >ILE^A 125 -34.64 108.67 -25.41 -33.79 109.31 -24.53 -34.21 108.99 -24.97 3 0 16.40 -999 ? ZN ZN A 401 >SER^A 126 -39.16 108.45 -26.41 -40.33 106.42 -26.95 -39.75 107.44 -26.68 2 0 17.77 -999 ? C11 B3P A 371 >ILE^A 127 -42.39 111.55 -24.61 -42.43 112.40 -23.33 -42.41 111.97 -23.97 3 0 12.98 -999 ? C11 B3P A 371 >ILE.A 128 -43.78 106.66 -21.81 -42.86 105.74 -21.19 -43.32 106.20 -21.50 3 0 12.65 -999 ? C11 B3P A 371 >ASN.A 129 -47.15 108.78 -19.29 -46.71 106.94 -18.35 -46.93 107.86 -18.82 2 0 9.82 -999 ? C11 B3P A 371 >ASN^A 130 -48.36 110.99 -24.95 -46.55 110.16 -25.70 -47.45 110.57 -25.32 2 0 14.86 -999 ? C11 B3P A 371 >GLN^A 131 -49.64 115.70 -21.05 -49.18 117.76 -20.50 -49.41 116.73 -20.77 2 0 10.13 -999 ? O3 B3P A 371 >GLN^A 132 -54.86 112.25 -25.04 -54.99 111.24 -26.94 -54.93 111.75 -25.99 2 0 18.24 -999 ? O3 B3P A 371 >ASP^A 133 -52.93 118.32 -28.08 -51.05 118.45 -27.14 -51.99 118.38 -27.61 2 0 16.96 -999 ? O3 B3P A 371 >VAL^A 134 -57.42 119.06 -28.32 -59.31 119.22 -27.23 -58.36 119.14 -27.77 3 0 21.03 -999 ? O3 B3P A 371 >TYR^A 135 -55.36 120.20 -32.34 -52.69 120.16 -31.50 -54.03 120.18 -31.92 3 0 22.72 -999 ? O3 B3P A 371 >TYR^A 136 -62.12 122.60 -32.08 -63.01 122.36 -29.44 -62.57 122.48 -30.76 3 0 26.70 -999 ? O3 B3P A 371 >LYS^A 137 -61.18 120.57 -37.49 -60.82 116.49 -42.25 -61.00 118.53 -39.87 2 0 34.26 -999 ? O3 B3P A 371 >VAL^A 138 -63.12 123.62 -38.67 -62.72 125.70 -38.17 -62.92 124.66 -38.42 3 0 33.44 -999 ? O3 B3P A 371 >GLN^A 139 -65.70 120.23 -40.85 -66.70 118.41 -41.33 -66.20 119.32 -41.09 2 0 36.60 -999 ? O3 B3P A 371 >LYS.A 201 -67.22 122.79 -48.04 -68.00 117.41 -44.65 -67.61 120.10 -46.35 2 0 39.97 -999 ? O3 B3P A 371 >ILE.A 202 -63.32 125.38 -46.66 -62.74 126.61 -47.12 -63.03 126.00 -46.89 3 0 40.98 -999 ? O3 B3P A 371 >GLU.A 203 -61.50 119.83 -44.37 -62.57 118.01 -44.56 -62.03 118.92 -44.47 2 0 37.22 -999 ? O3 B3P A 371 >PHE^A 204 -59.28 125.69 -41.70 -60.97 127.63 -40.64 -60.13 126.66 -41.17 3 0 35.09 -999 ? O3 B3P A 371 >MET^A 205 -57.29 122.95 -38.28 -57.34 119.67 -37.54 -57.31 121.31 -37.91 2 0 28.93 -999 ? O3 B3P A 371 >ILE^A 206 -58.33 126.14 -35.11 -59.73 126.52 -35.39 -59.03 126.33 -35.25 3 0 29.62 -999 ? O3 B3P A 371 >ASP^A 207 -54.72 125.86 -30.99 -52.82 124.98 -31.10 -53.77 125.42 -31.04 2 0 23.29 -999 ? O3 B3P A 371 >ALA.A 208 -58.66 124.71 -29.15 -58.71 123.75 -27.96 -58.69 124.23 -28.56 2 0 22.82 -999 ? O3 B3P A 371 >TYR.A 209 -55.63 129.31 -28.38 -53.87 130.44 -30.24 -54.75 129.87 -29.31 3 0 25.14 -999 ? O3 B3P A 371 >GLN~A 210 -56.30 129.40 -32.55 -55.20 128.58 -34.17 -55.75 128.99 -33.36 2 0 28.27 -999 ? O3 B3P A 371 >LYS~A 211 -62.24 128.49 -31.46 -66.76 124.47 -29.58 -64.50 126.48 -30.52 2 0 29.35 -999 ? O3 B3P A 371 >SER~A 212 -63.47 131.87 -30.17 -62.95 131.51 -27.82 -63.21 131.69 -29.00 2 0 29.08 -999 ? O3 B3P A 371 >ALA~A 214 -62.05 131.84 -35.47 -61.78 130.34 -35.44 -61.92 131.09 -35.46 2 0 32.81 -999 ? O3 B3P A 371 >GLU~A 215 -68.02 131.40 -33.93 -69.08 130.85 -32.20 -68.55 131.12 -33.07 2 0 35.11 -999 ? O3 B3P A 371 >LEU~A 217 -62.44 135.12 -38.05 -61.25 136.86 -37.49 -61.85 135.99 -37.77 3 0 37.50 -999 ? O3 B3P A 371 >GLN.A 220 -66.19 139.85 -39.97 -64.14 140.32 -39.69 -65.17 140.09 -39.83 2 0 42.36 -999 ? O3 B3P A 371 >PRO.A 223 -70.49 133.47 -49.33 -71.56 134.49 -47.66 -71.02 133.98 -48.49 3 0 48.78 -999 ? O3 B3P A 371 >THR.A 226 -76.21 132.46 -41.35 -78.11 131.53 -40.98 -77.16 131.99 -41.16 2 0 46.87 -999 ? O3 B3P A 371 >PRO.A 227 -71.86 133.08 -41.97 -73.38 131.44 -42.22 -72.62 132.26 -42.09 3 0 44.34 -999 ? O3 B3P A 371 >VAL.A 228 -72.72 127.24 -41.94 -74.06 125.71 -42.65 -73.39 126.48 -42.29 3 0 42.99 -999 ? O3 B3P A 371 >PHE.A 229 -69.28 128.07 -38.72 -70.27 129.86 -36.82 -69.77 128.96 -37.77 3 0 38.33 -999 ? O3 B3P A 371 >ASP^A 230 -69.05 121.76 -38.15 -70.74 121.65 -39.40 -69.90 121.71 -38.77 2 0 38.04 -999 ? O3 B3P A 371 >PHE^A 231 -65.55 125.19 -34.30 -65.03 127.82 -35.07 -65.29 126.50 -34.68 3 0 32.52 -999 ? O3 B3P A 371 >ILE^A 232 -65.08 118.18 -36.05 -65.62 117.06 -36.87 -65.35 117.62 -36.46 3 0 31.82 -999 ? O3 B3P A 371 >GLU^A 233 -62.71 117.71 -29.26 -63.44 117.34 -27.30 -63.07 117.52 -28.28 2 0 23.79 -999 ? O3 B3P A 371 >ILE^A 234 -59.40 116.41 -33.92 -59.83 115.27 -34.71 -59.61 115.84 -34.32 3 0 26.68 -999 ? O3 B3P A 371 >LYS^A 235 -57.83 114.71 -29.98 -61.47 113.46 -24.90 -59.65 114.08 -27.44 2 0 20.59 -999 ? O3 B3P A 371 >GLN^A 236 -53.31 115.97 -31.75 -52.27 116.81 -33.41 -52.79 116.39 -32.58 2 0 22.96 -999 ? O3 B3P A 371 >THR^A 237 -51.37 112.40 -28.78 -50.70 110.36 -28.76 -51.03 111.38 -28.77 2 0 18.42 -999 ? O3 B3P A 371 >SER^A 238 -49.22 115.18 -27.35 -48.54 116.79 -25.67 -48.88 115.98 -26.51 2 0 14.63 -999 ? O3 B3P A 371 >LEU^A 239 -44.67 116.46 -28.44 -44.28 116.41 -30.61 -44.47 116.44 -29.53 3 0 18.22 -999 ? O3 B3P A 371 >TYR^A 240 -45.76 118.51 -24.13 -44.76 120.68 -25.55 -45.26 119.59 -24.84 3 0 14.32 -999 ? O3 B3P A 371 >GLY^A 241 -45.68 113.33 -21.22 -44.96 113.67 -21.16 -45.32 113.50 -21.19 1 0 9.84 -999 ? O3 B3P A 371 >LEU.A 242 -45.24 111.98 -16.65 -44.51 112.43 -14.60 -44.88 112.21 -15.62 3 0 -4.50 -999 ? C11 B3P A 371s >GLY.A 243 -41.44 109.79 -18.36 -41.62 110.25 -19.02 -41.53 110.02 -18.69 1 0 8.59 -999 ? C9 B3P A 371 >VAL^A 244 -39.35 108.32 -21.18 -37.50 109.57 -21.23 -38.42 108.95 -21.21 3 0 12.22 -999 ? C9 B3P A 371 >MET^A 245 -38.78 104.78 -22.43 -39.97 101.67 -21.60 -39.38 103.22 -22.02 2 0 16.08 -999 ? C9 B3P A 371 >ALA^A 246 -35.26 104.10 -23.63 -34.37 105.15 -22.94 -34.82 104.63 -23.28 2 0 16.89 -999 ? C9 B3P A 371 >GLU^A 247 -33.22 100.96 -26.56 -34.10 99.82 -28.06 -33.66 100.39 -27.31 2 0 23.56 -999 ? C9 B3P A 371 >VAL^A 248 -29.28 100.12 -23.42 -29.16 98.84 -21.63 -29.22 99.48 -22.53 3 0 22.54 -999 ? C9 B3P A 371 >ASP^A 249 -25.63 99.58 -26.54 -25.45 101.65 -26.85 -25.54 100.62 -26.69 2 0 25.66 -999 ? ZN ZN A 401 >ASN^A 250 -25.43 94.99 -25.27 -24.67 95.44 -27.16 -25.05 95.21 -26.22 2 0 30.16 -999 ? C9 B3P A 371 >GLN^A 251 -29.91 91.64 -21.92 -30.39 89.73 -22.62 -30.15 90.68 -22.27 2 0 28.95 -999 ? C9 B3P A 371 >MET^A 252 -27.27 93.88 -19.12 -26.07 97.86 -18.62 -26.67 95.87 -18.87 2 0 23.79 -999 ? O1 B3P A 371 >THR^A 253 -28.11 92.46 -15.75 -26.47 91.31 -14.90 -27.29 91.88 -15.32 2 0 27.27 -999 ? O1 B3P A 371 >LEU~A 254 -31.52 93.93 -12.65 -33.03 95.12 -11.67 -32.28 94.53 -12.16 3 0 21.14 -999 ? O1 B3P A 371 >GLU~A 255 -26.11 92.65 -10.66 -24.88 91.52 -9.35 -25.50 92.09 -10.00 2 0 27.42 -999 ? ZN ZN B 401 >ASP~A 256 -24.42 95.00 -14.74 -23.18 93.38 -14.15 -23.80 94.19 -14.44 2 0 27.59 -999 ? O1 B3P A 371 >PHE~A 257 -29.43 99.46 -16.05 -30.65 101.85 -16.93 -30.04 100.65 -16.49 3 0 18.57 -999 ? O1 B3P A 371 >ALA~A 258 -28.05 99.80 -11.43 -28.59 99.01 -10.27 -28.32 99.40 -10.85 2 0 19.39 -999 ? O1 B3P A 371 >ALA~A 259 -24.33 100.13 -10.81 -23.29 98.87 -10.74 -23.81 99.50 -10.77 2 0 23.41 -999 ? O1 B3P A 371 >ASP~A 260 -24.22 101.11 -15.48 -23.38 102.12 -17.10 -23.80 101.62 -16.29 2 0 22.40 -999 ? ZN ZN A 401 >ILE~A 261 -27.79 104.37 -13.82 -29.08 103.66 -14.18 -28.43 104.02 -14.00 3 0 16.82 -999 ? O1 B3P A 371 >LYS~A 262 -25.04 104.85 -9.90 -22.55 102.62 -4.48 -23.79 103.73 -7.19 2 0 21.84 -999 ? ZN ZN A 402 >SER~A 263 -21.67 105.68 -11.34 -19.66 105.36 -12.56 -20.66 105.52 -11.95 2 0 22.84 -999 ? ZN ZN A 401 >LYS~A 264 -22.91 107.89 -14.23 -23.52 104.42 -19.33 -23.21 106.15 -16.78 2 0 21.60 -999 ? ZN ZN A 401 >LEU~A 265 -26.57 109.66 -11.66 -28.27 109.96 -12.98 -27.42 109.81 -12.32 3 0 13.90 -999 ? ZN ZN A 401 >ASN.A 266 -22.05 111.57 -9.08 -21.04 112.05 -10.88 -21.54 111.81 -9.98 2 0 18.85 -999 ? ZN ZN A 402 >ILE.A 267 -26.35 107.79 -7.10 -27.77 107.70 -7.59 -27.06 107.75 -7.34 3 0 14.87 -999 ? ZN ZN A 402 >PRO.A 268 -24.33 109.85 -2.51 -24.20 107.96 -3.71 -24.27 108.90 -3.11 3 0 17.33 -999 ? ZN ZN A 402 >SER.A 269 -26.28 104.71 -2.85 -27.39 103.46 -1.14 -26.83 104.09 -1.99 2 0 18.75 -999 ? ZN ZN A 402 >VAL.A 270 -28.70 103.02 -5.20 -28.60 103.27 -7.40 -28.65 103.14 -6.30 3 0 16.82 -999 ? O1 B3P A 371 >ARG^A 271 -33.34 101.75 -1.66 -34.94 103.58 0.21 -34.14 102.67 -0.73 2 0 13.44 -999 ? ZN ZN B 401 >PHE^A 272 -31.27 96.31 -7.79 -29.42 94.26 -7.46 -30.35 95.29 -7.63 3 0 21.34 -999 ? O1 B3P A 371 >VAL^A 273 -35.98 95.52 -6.67 -37.87 96.10 -5.70 -36.92 95.81 -6.18 3 0 16.93 -999 ? ZN ZN B 401 >GLY.A 274 -35.77 92.29 -8.66 -35.12 92.40 -8.08 -35.44 92.35 -8.37 1 0 20.46 -999 ? ZN ZN B 401 >GLU.A 275 -34.78 87.37 -9.37 -34.61 86.91 -7.36 -34.69 87.14 -8.37 2 0 22.22 -999 ? ZN ZN B 401 >SER.A 276 -29.81 90.73 -9.66 -28.30 89.20 -8.66 -29.05 89.96 -9.16 2 0 25.44 -999 ? ZN ZN B 401 >ASN.A 277 -29.05 87.05 -12.69 -30.72 85.74 -12.28 -29.88 86.40 -12.48 2 0 28.21 -999 ? ZN ZN B 401 >GLN.A 278 -34.74 90.19 -12.95 -36.24 89.20 -14.04 -35.49 89.69 -13.50 2 0 24.86 -999 ? C9 B3P A 371 >LYS^A 279 -31.90 90.93 -18.00 -27.10 89.70 -19.44 -29.50 90.31 -18.72 2 0 29.39 -999 ? C9 B3P A 371 >ILE^A 280 -31.99 95.59 -17.84 -33.13 95.93 -17.15 -32.56 95.76 -17.49 3 0 21.15 -999 ? C9 B3P A 371 >LYS^A 281 -32.94 96.10 -22.35 -30.34 96.54 -27.14 -31.64 96.32 -24.74 2 0 26.44 -999 ? C9 B3P A 371 >ARG^A 282 -38.46 97.25 -24.80 -40.71 99.05 -25.90 -39.59 98.15 -25.35 2 0 20.85 -999 ? C9 B3P A 371 >ILE^A 283 -34.58 101.67 -19.03 -33.53 101.52 -18.88 -34.06 101.59 -18.96 3 0 16.59 -999 ? C9 B3P A 371 >ALA^A 284 -38.71 103.48 -18.18 -40.15 103.01 -17.91 -39.43 103.24 -18.04 2 0 12.66 -999 ? C9 B3P A 371 >ILE^A 285 -36.38 107.23 -16.76 -35.01 107.52 -16.91 -35.69 107.38 -16.84 3 0 10.97 -999 ? C9 B3P A 371 >ILE.A 286 -41.11 108.86 -13.71 -42.57 109.18 -13.85 -41.84 109.02 -13.78 3 0 5.20 -999 ? C9 B3P A 371 >GLY.A 287 -37.37 111.28 -12.26 -38.18 111.28 -12.23 -37.77 111.28 -12.24 1 0 -5.56 -999 ? O1 B3P A 371s >GLY.A 288 -38.32 112.40 -8.76 -38.34 111.58 -8.94 -38.33 111.99 -8.85 1 0 -3.58 -999 ? O1 B3P A 371s >SER.A 289 -41.15 110.32 -7.28 -42.46 109.97 -5.25 -41.81 110.15 -6.27 2 0 -5.35 -999 ? O1 B3P A 371s >GLY.A 290 -42.81 108.30 -9.98 -42.74 107.91 -9.29 -42.77 108.10 -9.63 1 0 4.67 -999 ? C9 B3P A 371 >ILE.A 291 -43.83 104.90 -6.54 -43.55 103.38 -6.67 -43.69 104.14 -6.60 3 0 9.67 -999 ? C9 B3P A 371 >GLY.A 292 -47.75 104.79 -9.29 -47.07 104.56 -9.78 -47.41 104.67 -9.53 1 0 9.44 -999 ? C11 B3P A 371 >TYR~A 293 -46.61 106.89 -13.57 -48.15 109.22 -13.70 -47.38 108.05 -13.64 3 0 6.46 -999 ? C11 B3P A 371 >GLU~A 294 -44.58 100.10 -10.25 -45.30 101.55 -8.87 -44.94 100.82 -9.56 2 0 11.80 -999 ? C9 B3P A 371 >TYR~A 295 -48.13 97.91 -11.44 -47.20 97.03 -8.94 -47.66 97.47 -10.19 3 0 16.26 -999 ? C9 B3P A 371 >GLN~A 296 -49.08 103.02 -17.75 -50.47 104.62 -17.39 -49.77 103.82 -17.57 2 0 12.15 -999 ? C11 B3P A 371 >ALA~A 297 -44.43 101.11 -17.62 -43.26 101.65 -16.76 -43.84 101.38 -17.19 2 0 12.94 -999 ? C9 B3P A 371 >VAL~A 298 -44.17 97.31 -17.68 -43.72 95.69 -16.31 -43.95 96.50 -16.99 3 0 17.73 -999 ? C9 B3P A 371 >GLN~A 299 -49.18 96.80 -18.23 -49.39 94.73 -18.63 -49.29 95.77 -18.43 2 0 20.68 -999 ? C11 B3P A 371 >GLN~A 300 -46.67 102.10 -21.45 -46.51 103.88 -20.10 -46.59 102.99 -20.77 2 0 13.16 -999 ? C11 B3P A 371 >GLY.A 301 -42.60 97.23 -22.51 -42.59 97.61 -21.86 -42.60 97.42 -22.18 1 0 19.79 -999 ? C9 B3P A 371 >ALA.A 302 -40.20 98.27 -19.71 -40.46 99.36 -18.67 -40.33 98.82 -19.19 2 0 16.02 -999 ? C9 B3P A 371 >ASP.A 303 -36.59 95.18 -18.70 -36.77 94.15 -20.55 -36.68 94.67 -19.63 2 0 22.13 -999 ? C9 B3P A 371 >VAL^A 304 -37.31 98.07 -15.23 -35.24 98.70 -14.65 -36.27 98.38 -14.94 3 0 16.52 -999 ? C9 B3P A 371 >PHE^A 305 -40.89 102.59 -13.06 -42.07 105.10 -12.65 -41.48 103.84 -12.86 3 0 9.49 -999 ? C9 B3P A 371 >VAL^A 306 -36.35 103.85 -12.62 -34.28 103.96 -13.44 -35.31 103.91 -13.03 3 0 11.89 -999 ? O1 B3P A 371 >THR^A 307 -37.49 106.57 -10.19 -39.51 106.65 -9.34 -38.50 106.61 -9.76 2 0 6.96 -999 ? O1 B3P A 371 >GLY.A 308 -36.78 108.02 -6.71 -37.57 107.80 -6.86 -37.18 107.91 -6.79 1 0 7.69 -999 ? O1 B3P A 371 >ASP.A 309 -39.32 109.22 -3.35 -38.59 111.09 -2.57 -38.96 110.15 -2.96 2 0 7.55 -999 ? ZN ZN A 402 >ILE.A 310 -38.77 103.22 -4.28 -38.87 102.36 -5.49 -38.82 102.79 -4.89 3 0 11.77 -999 ? O1 B3P A 371 >LYS~A 311 -40.88 103.07 -0.16 -45.35 106.37 1.57 -43.12 104.72 0.71 2 0 6.37 -999 ? O5 B3P B 371 >HIS~A 312 -41.04 97.86 3.25 -41.05 95.82 3.71 -41.04 96.84 3.48 3 0 6.48 -999 ? ZN ZN B 401 >HIS~A 313 -45.85 98.44 2.81 -45.85 97.45 4.68 -45.85 97.94 3.74 3 0 5.54 -999 ? ZN ZN B 401 >ASP~A 314 -44.29 101.20 -3.40 -45.94 102.37 -2.71 -45.12 101.78 -3.06 2 0 9.10 -999 ? O5 B3P B 371 >ALA~A 315 -41.15 97.94 -3.49 -39.77 98.25 -2.75 -40.46 98.09 -3.12 2 0 12.41 -999 ? ZN ZN B 401 >LEU~A 316 -43.05 94.65 -0.40 -43.05 92.92 0.93 -43.05 93.79 0.27 3 0 10.03 -999 ? ZN ZN B 401 >ASP~A 317 -46.62 96.07 -4.20 -47.85 96.41 -2.50 -47.23 96.24 -3.35 2 0 10.45 -999 ? O4 B3P B 371 >ALA~A 318 -43.50 95.30 -7.16 -42.53 96.46 -7.46 -43.02 95.88 -7.31 2 0 16.45 -999 ? O4 B3P B 371 >LYS~A 319 -41.25 92.42 -6.09 -36.50 89.98 -5.00 -38.87 91.20 -5.54 2 0 18.09 -999 ? ZN ZN B 401 >ILE~A 320 -45.24 90.16 -4.40 -45.68 89.68 -3.12 -45.46 89.92 -3.76 3 0 15.53 -999 ? ZN ZN B 401 >HIS~A 321 -47.70 92.41 -8.31 -49.45 92.40 -7.16 -48.58 92.40 -7.73 3 0 16.72 -999 ? O4 B3P B 371 >GLY~A 322 -42.36 90.61 -10.82 -42.68 91.32 -10.66 -42.52 90.97 -10.74 1 0 21.42 -999 ? ZN ZN B 401 >VAL.A 323 -41.97 94.34 -11.54 -43.50 95.83 -11.92 -42.74 95.08 -11.73 3 0 17.91 -999 ? C9 B3P A 371 >ASN.A 324 -37.25 95.00 -12.34 -37.18 92.91 -12.68 -37.21 93.95 -12.51 2 0 20.90 -999 ? C9 B3P A 371 >LEU^A 325 -38.20 99.27 -8.69 -40.35 99.39 -8.41 -39.27 99.33 -8.55 3 0 14.16 -999 ? O1 B3P A 371 >ILE^A 326 -33.37 101.17 -10.41 -32.08 100.91 -11.09 -32.72 101.04 -10.75 3 0 15.23 -999 ? O1 B3P A 371 >ASP^A 327 -34.76 103.64 -5.32 -35.22 105.46 -4.31 -34.99 104.55 -4.82 2 0 11.36 -999 ? O1 B3P A 371 >ILE.A 328 -31.69 106.78 -9.55 -32.05 106.85 -10.96 -31.87 106.81 -10.25 3 0 11.80 -999 ? O1 B3P A 371 >ASN~A 329 -31.94 109.24 -4.59 -31.02 107.56 -3.63 -31.48 108.40 -4.11 2 0 12.75 -999 ? ZN ZN A 402 >HIS~A 330 -37.28 113.42 -5.32 -38.81 114.77 -5.81 -38.05 114.10 -5.57 3 0 -3.46 -999 ? ZN ZN A 402s >TYR~A 331 -30.16 115.06 -4.86 -28.37 117.16 -5.34 -29.27 116.11 -5.10 3 0 10.26 -999 ? ZN ZN A 402 >SER~A 332 -31.12 112.57 -9.16 -30.10 110.35 -8.93 -30.61 111.46 -9.04 2 0 10.92 -999 ? ZN ZN A 402 >GLU~A 333 -35.80 114.74 -10.32 -37.65 115.72 -10.06 -36.72 115.23 -10.19 2 0 2.48 -999 ? ZN ZN A 401s >TYR~A 334 -28.13 116.36 -9.51 -26.22 114.55 -10.48 -27.18 115.45 -9.99 3 0 12.18 -999 ? ZN ZN A 402 >VAL~A 335 -29.25 116.61 -13.70 -29.72 114.52 -14.24 -29.49 115.57 -13.97 3 0 10.42 -999 ? ZN ZN A 401 >MET~A 336 -31.65 119.32 -14.86 -33.06 121.27 -12.38 -32.36 120.30 -13.62 2 0 8.08 -999 ? ZN ZN A 401 >LYS~A 337 -29.31 122.02 -13.66 -26.65 121.35 -8.38 -27.98 121.69 -11.02 2 0 13.43 -999 ? ZN ZN A 402 >GLU~A 338 -24.61 120.56 -15.24 -23.15 122.05 -15.69 -23.88 121.30 -15.46 2 0 17.82 -999 ? ZN ZN A 401 >GLY~A 339 -29.42 120.06 -18.66 -29.36 120.82 -18.29 -29.39 120.44 -18.48 1 0 12.94 -999 ? ZN ZN A 401 >LEU~A 340 -32.34 123.74 -17.24 -34.02 125.17 -17.36 -33.18 124.46 -17.30 3 0 11.73 -999 ? ZN ZN A 401 >LYS~A 341 -28.31 125.48 -18.68 -22.34 125.76 -19.27 -25.33 125.62 -18.98 2 0 21.03 -999 ? ZN ZN A 401 >THR~A 342 -27.50 123.81 -22.01 -26.40 122.08 -22.59 -26.95 122.94 -22.30 2 0 18.12 -999 ? ZN ZN A 401 >LEU~A 343 -32.32 123.75 -22.68 -33.32 121.91 -23.19 -32.82 122.83 -22.93 3 0 14.74 -999 ? ZN ZN A 401 >LEU~A 344 -31.29 128.43 -20.90 -32.49 130.26 -20.34 -31.89 129.35 -20.62 3 0 17.52 -999 ? ZN ZN A 401 >MET~A 345 -27.78 128.69 -23.82 -24.29 127.88 -21.72 -26.04 128.28 -22.77 2 0 21.61 -999 ? ZN ZN A 401 >ASN~A 346 -29.40 125.75 -27.37 -30.16 125.53 -29.37 -29.78 125.64 -28.37 2 0 22.16 -999 ? ZN ZN A 401 >TRP~A 347 -34.02 126.64 -26.71 -35.49 125.97 -23.11 -34.75 126.31 -24.91 3 0 17.32 -999 ? ZN ZN A 401 >PHE~A 348 -30.26 132.90 -23.69 -31.50 133.58 -21.27 -30.88 133.24 -22.48 3 0 21.82 -999 ? ZN ZN A 401 >ASN~A 349 -27.22 130.38 -29.31 -25.92 130.57 -30.97 -26.57 130.47 -30.14 2 0 27.65 -999 ? ZN ZN A 401 >ILE~A 350 -32.25 130.32 -31.49 -33.05 129.24 -31.92 -32.65 129.78 -31.71 3 0 25.18 -999 ? ZN ZN A 401 >GLU~A 351 -34.43 133.68 -29.03 -35.86 133.45 -30.59 -35.14 133.56 -29.81 2 0 25.82 -999 ? ZN ZN A 401 >LYS.A 352 -28.95 136.32 -30.20 -28.14 135.39 -34.98 -28.55 135.85 -32.59 2 0 32.25 -999 ? ZN ZN A 401 >ILE.A 353 -30.43 136.41 -25.59 -31.58 136.42 -24.81 -31.00 136.41 -25.20 3 0 25.64 -999 ? ZN ZN A 401 >ASN.A 354 -24.99 138.62 -25.22 -24.90 138.69 -27.30 -24.94 138.65 -26.26 2 0 30.93 -999 ? ZN ZN A 401 >ILE.A 355 -28.31 136.69 -20.82 -29.45 137.28 -20.20 -28.88 136.99 -20.51 3 0 24.78 -999 ? ZN ZN A 401 >ASP.A 356 -23.71 134.73 -17.85 -22.12 135.98 -18.50 -22.92 135.36 -18.18 2 0 27.05 -999 ? ZN ZN A 401 >VAL^A 357 -26.30 131.05 -17.74 -28.06 130.21 -18.78 -27.18 130.63 -18.26 3 0 19.95 -999 ? ZN ZN A 401 >GLU^A 358 -22.59 130.18 -14.72 -21.40 130.90 -13.15 -21.99 130.54 -13.93 2 0 23.21 -999 ? ZN ZN A 401 >ALA^A 359 -25.72 125.60 -13.38 -25.38 124.21 -13.88 -25.55 124.90 -13.63 2 0 16.29 -999 ? ZN ZN A 401 >SER.A 360 -25.64 125.99 -9.62 -26.39 125.93 -7.32 -26.01 125.96 -8.47 2 0 15.92 -999 ? ZN ZN A 402 >THR.A 361 -22.72 123.89 -8.30 -21.02 125.22 -8.41 -21.87 124.56 -8.35 2 0 20.15 -999 ? ZN ZN A 402 >ILE.A 362 -24.92 124.58 -4.05 -25.03 125.52 -3.13 -24.98 125.05 -3.59 3 0 17.13 -999 ? ZN ZN A 402 >ASN.A 363 -24.18 118.84 -3.44 -25.15 116.95 -3.21 -24.67 117.89 -3.32 2 0 14.76 -999 ? ZN ZN A 402 >THR.A 364 -28.52 120.61 -2.19 -29.40 121.93 -3.68 -28.96 121.27 -2.93 2 0 11.96 -999 ? ZN ZN A 402 >ASP.A 365 -28.60 115.73 -1.61 -29.73 113.97 -1.34 -29.17 114.85 -1.47 2 0 11.72 -999 ? ZN ZN A 402 >PRO.A 366 -32.83 116.55 1.44 -30.67 117.10 1.64 -31.75 116.82 1.54 3 0 12.00 -999 ? ZN ZN A 402 >PHE.A 367 -31.39 111.98 2.28 -34.03 111.21 2.74 -32.71 111.60 2.51 3 0 13.15 -999 ? ZN ZN A 402 >GLN^A 368 -23.64 112.82 4.69 -22.27 114.10 5.71 -22.96 113.46 5.20 2 0 21.79 -999 ? ZN ZN A 402 >TYR^A 369 -26.51 108.50 0.95 -29.03 108.89 -0.25 -27.77 108.69 0.35 3 0 16.02 -999 ? ZN ZN A 402 >ILE^A 370 -22.81 106.90 6.51 -23.06 107.55 7.74 -22.93 107.23 7.12 3 0 22.32 -999 ? O1 B3P B 371 >ALA.B 1 -56.95 64.40 27.96 -58.29 64.26 27.25 -57.62 64.33 27.60 2 0 40.13 -999 ? ZN ZN B 402 >MET.B 2 -54.70 67.01 26.85 -51.67 68.44 26.45 -53.18 67.73 26.65 2 0 34.29 -999 ? ZN ZN B 402 >ASP.B 3 -55.84 71.65 27.35 -54.41 72.00 28.83 -55.13 71.82 28.09 2 0 33.04 -999 ? ZN ZN B 402 >PRO.B 4 -53.68 69.13 22.56 -53.48 70.98 23.83 -53.58 70.06 23.20 3 0 32.10 -999 ? ZN ZN B 402 >MET.B 5 -52.81 74.93 22.46 -50.38 78.29 22.32 -51.60 76.61 22.39 2 0 23.60 -999 ? ZN ZN B 402 >LYS~B 6 -55.26 75.90 19.68 -60.58 72.50 19.75 -57.92 74.20 19.71 2 0 31.78 -999 ? ZN ZN B 402 >ILE~B 7 -55.46 79.28 16.08 -54.39 80.19 15.44 -54.93 79.73 15.76 3 0 22.08 -999 ? ZN ZN B 402 >ALA~B 8 -57.87 80.48 19.79 -59.24 79.81 20.06 -58.56 80.15 19.93 2 0 25.32 -999 ? ZN ZN B 402 >ASP~B 9 -55.13 78.56 23.44 -56.66 77.19 23.76 -55.89 77.88 23.60 2 0 27.36 -999 ? ZN ZN B 402 >LEU~B 10 -51.98 81.11 19.93 -49.93 81.76 19.30 -50.95 81.43 19.61 3 0 19.96 -999 ? ZN ZN B 402 >MET~B 11 -54.80 84.56 20.24 -54.81 85.58 17.14 -54.81 85.07 18.69 2 0 17.51 -999 ? ZN ZN B 402 >THR~B 12 -55.90 85.04 23.87 -57.40 84.10 25.10 -56.65 84.57 24.49 2 0 23.40 -999 ? ZN ZN B 402 >LEU~B 13 -51.34 83.76 24.92 -49.67 83.37 26.24 -50.51 83.57 25.58 3 0 21.09 -999 ? ZN ZN B 402 >LEU~B 14 -51.28 87.16 20.80 -49.77 85.99 19.70 -50.52 86.58 20.25 3 0 15.80 -999 ? ZN ZN B 402 >ASP~B 15 -55.42 89.37 22.84 -56.66 91.01 23.17 -56.04 90.19 23.00 2 0 18.09 -999 ? ZN ZN B 402 >HIS~B 16 -52.63 88.67 29.08 -52.31 89.19 31.08 -52.47 88.93 30.08 3 0 21.82 -999 ? ZN ZN B 402 >HIS~B 17 -48.32 88.94 27.24 -48.07 87.67 28.90 -48.19 88.31 28.07 3 0 19.27 -999 ? ZN ZN B 402 >VAL~B 18 -50.02 93.02 23.09 -48.26 92.87 21.71 -49.14 92.95 22.40 3 0 12.54 -999 ? ZN ZN B 402 >PRO~B 19 -53.24 95.10 25.07 -52.96 93.95 23.15 -53.10 94.53 24.11 3 0 15.21 -999 ? ZN ZN B 402 >PHE~B 20 -55.06 91.64 18.60 -53.30 89.53 18.08 -54.18 90.59 18.34 3 0 14.10 -999 ? ZN ZN B 402 >SER~B 21 -57.37 96.89 20.61 -57.42 97.10 23.08 -57.39 96.99 21.85 2 0 15.31 -999 ? O3 B3P B 371 >THR~B 22 -54.27 99.13 20.76 -52.97 98.38 22.32 -53.62 98.76 21.54 2 0 12.11 -999 ? O3 B3P B 371 >ALA~B 23 -53.88 98.80 16.98 -54.15 97.55 16.10 -54.02 98.18 16.54 2 0 9.05 -999 ? O3 B3P B 371 >GLU.B 24 -52.79 103.05 14.35 -52.89 104.73 15.57 -52.84 103.89 14.96 2 0 5.23 -999 ? O3 B3P B 371 >SER.B 25 -58.57 101.71 13.68 -59.30 103.94 13.26 -58.93 102.82 13.47 2 0 8.82 -999 ? C7 B3P B 371 >TRP.B 26 -55.31 104.28 10.59 -52.19 101.94 10.03 -53.75 103.11 10.31 3 0 -3.78 -999 ? C7 B3P B 371s >ASP.B 27 -54.29 98.49 11.88 -52.46 97.53 11.54 -53.37 98.01 11.71 2 0 7.01 -999 ? C10 B3P B 371 >ASN.B 28 -56.02 94.53 8.51 -57.27 92.84 8.14 -56.64 93.68 8.32 2 0 11.90 -999 ? C5 B3P B 371 >VAL.B 29 -54.75 92.80 12.93 -54.23 94.49 14.28 -54.49 93.65 13.60 3 0 11.38 -999 ? C10 B3P B 371 >GLY^B 30 -55.27 89.43 14.51 -54.92 89.45 13.77 -55.10 89.44 14.14 1 0 14.53 -999 ? ZN ZN B 402 >LEU^B 31 -56.88 84.96 13.42 -56.70 82.86 12.88 -56.79 83.91 13.15 3 0 19.42 -999 ? ZN ZN B 402 >LEU^B 32 -54.94 87.82 8.44 -54.71 89.98 8.97 -54.82 88.90 8.71 3 0 14.67 -999 ? ZN ZN B 401 >ILE^B 33 -54.94 83.46 6.45 -54.54 83.48 5.12 -54.74 83.47 5.79 3 0 18.97 -999 ? ZN ZN B 401 >GLY.B 34 -56.75 80.37 9.41 -57.43 80.76 9.39 -57.09 80.57 9.40 1 0 22.41 -999 ? ZN ZN B 401 >ASP.B 35 -58.95 76.96 11.29 -60.59 75.89 12.01 -59.77 76.43 11.65 2 0 28.09 -999 ? ZN ZN B 402 >GLU.B 36 -60.64 81.39 15.56 -59.78 82.91 16.76 -60.21 82.15 16.16 2 0 22.57 -999 ? ZN ZN B 402 >ASP.B 37 -61.16 74.73 15.87 -61.47 72.93 16.97 -61.32 73.83 16.42 2 0 31.37 -999 ? ZN ZN B 402 >VAL.B 38 -56.70 74.20 14.86 -55.93 74.00 12.79 -56.31 74.10 13.82 3 0 27.51 -999 ? ZN ZN B 402 >GLU.B 39 -52.63 71.11 18.36 -52.53 69.16 19.13 -52.58 70.13 18.75 2 0 31.52 -999 ? ZN ZN B 402 >VAL.B 40 -50.63 74.98 16.89 -50.17 77.04 17.54 -50.40 76.01 17.21 3 0 24.11 -999 ? ZN ZN B 402 >THR.B 41 -47.67 72.84 15.82 -48.16 72.07 13.84 -47.91 72.45 14.83 2 0 27.10 -999 ? ZN ZN B 402 >GLY.B 42 -45.06 75.57 15.90 -45.81 75.90 15.59 -45.43 75.74 15.75 1 0 23.56 -999 ? ZN ZN B 402 >VAL^B 43 -44.67 79.35 15.48 -45.86 80.70 16.87 -45.27 80.02 16.17 3 0 19.24 -999 ? ZN ZN B 402 >LEU^B 44 -42.49 80.75 11.49 -40.78 80.67 10.19 -41.63 80.71 10.84 3 0 18.35 -999 ? ZN ZN B 401 >THR^B 45 -42.17 85.01 13.36 -41.21 85.38 15.27 -41.69 85.20 14.31 2 0 14.16 -999 ? ZN ZN B 402 >ALA^B 46 -41.82 87.26 10.31 -42.61 86.56 9.20 -42.21 86.91 9.75 2 0 12.33 -999 ? ZN ZN B 401 >LEU.B 47 -40.65 91.79 8.81 -40.58 93.96 8.67 -40.61 92.88 8.74 3 0 6.83 -999 ? ZN ZN B 401 >ASP.B 48 -43.07 90.96 4.68 -43.24 93.07 4.75 -43.15 92.02 4.71 2 0 7.12 -999 ? ZN ZN B 401 >CYH.B 49 -45.19 86.89 5.19 -46.82 84.69 5.39 -46.01 85.79 5.29 2 0 14.81 -999 ? ZN ZN B 401 >THR~B 50 -43.67 86.36 1.73 -41.65 87.07 1.85 -42.66 86.71 1.79 2 0 13.89 -999 ? ZN ZN B 401 >LEU~B 51 -43.83 82.88 -1.76 -44.77 81.34 -2.99 -44.30 82.11 -2.38 3 0 20.15 -999 ? ZN ZN B 401 >GLU~B 52 -38.85 83.08 -0.88 -40.23 84.18 -2.15 -39.54 83.63 -1.52 2 0 18.71 -999 ? ZN ZN B 401 >VAL~B 53 -41.62 82.51 4.62 -41.83 84.16 6.03 -41.72 83.33 5.32 3 0 16.04 -999 ? ZN ZN B 401 >VAL~B 54 -44.57 80.21 3.95 -46.58 80.57 3.13 -45.57 80.39 3.54 3 0 19.24 -999 ? ZN ZN B 401 >ASN~B 55 -41.31 77.83 1.17 -42.38 77.95 -0.68 -41.85 77.89 0.24 2 0 23.01 -999 ? ZN ZN B 401 >GLU~B 56 -38.44 79.17 7.21 -37.80 81.12 7.81 -38.12 80.14 7.51 2 0 18.77 -999 ? ZN ZN B 401 >ALA~B 57 -42.96 77.21 7.82 -44.23 78.03 7.96 -43.60 77.62 7.89 2 0 20.80 -999 ? ZN ZN B 401 >ILE~B 58 -44.32 74.17 4.28 -45.16 73.99 3.14 -44.74 74.08 3.71 3 0 25.27 -999 ? ZN ZN B 401 >GLU~B 59 -37.99 72.85 4.87 -36.91 72.60 6.68 -37.45 72.72 5.77 2 0 27.24 -999 ? ZN ZN B 401 >LYS~B 60 -40.13 73.22 9.51 -36.04 76.33 10.77 -38.08 74.78 10.14 2 0 23.91 -999 ? ZN ZN B 401 >GLY~B 61 -43.48 71.65 10.23 -43.29 72.42 10.38 -43.38 72.04 10.31 1 0 27.19 -999 ? ZN ZN B 401 >TYR.B 62 -42.83 75.83 12.91 -40.53 75.43 14.46 -41.68 75.63 13.68 3 0 23.44 -999 ? ZN ZN B 402 >ASN.B 63 -49.66 74.65 11.30 -50.45 74.68 13.26 -50.05 74.67 12.28 2 0 24.93 -999 ? ZN ZN B 402 >THR^B 64 -48.61 79.24 12.48 -49.72 79.47 14.34 -49.16 79.35 13.41 2 0 20.20 -999 ? ZN ZN B 402 >ILE^B 65 -46.73 82.65 9.71 -45.96 82.64 8.48 -46.35 82.65 9.09 3 0 16.33 -999 ? ZN ZN B 401 >ILE^B 66 -46.83 85.78 14.68 -47.32 86.00 16.05 -47.08 85.89 15.36 3 0 13.57 -999 ? ZN ZN B 402 >SER^B 67 -46.05 88.61 10.98 -47.75 89.13 9.26 -46.90 88.87 10.12 2 0 10.38 -999 ? ZN ZN B 401 >HIS.B 68 -44.72 94.50 12.35 -45.14 96.41 13.13 -44.93 95.46 12.74 3 0 -3.46 -999 ? ZN ZN B 402s >HIS.B 69 -45.30 94.94 7.48 -43.81 96.41 7.64 -44.55 95.68 7.56 3 0 -3.44 -999 ? ZN ZN B 401s >PRO.B 70 -51.31 94.55 7.87 -50.05 92.71 7.74 -50.68 93.63 7.81 3 0 8.52 -999 ? ZN ZN B 401 >LEU.B 71 -50.45 88.70 4.36 -49.72 87.47 2.72 -50.09 88.08 3.54 3 0 13.44 -999 ? ZN ZN B 401 >ILE.B 72 -55.38 90.39 4.03 -56.49 89.55 3.62 -55.94 89.97 3.83 3 0 13.86 -999 ? O4 B3P B 371 >PHE.B 73 -53.33 97.18 4.84 -53.56 99.71 6.07 -53.44 98.44 5.46 3 0 5.06 -999 ? O4 B3P B 371 >LYS.B 74 -57.07 96.46 2.17 -55.04 101.69 2.44 -56.06 99.08 2.30 2 0 4.72 -999 ? C5 B3P B 371 >GLY.B 75 -59.48 93.70 1.39 -59.00 94.08 0.86 -59.24 93.89 1.13 1 0 12.87 -999 ? C5 B3P B 371 >VAL.B 76 -58.53 91.19 -1.32 -57.90 89.40 -0.30 -58.22 90.30 -0.81 3 0 15.63 -999 ? O4 B3P B 371 >THR.B 77 -60.88 91.29 -4.31 -60.68 93.23 -5.14 -60.78 92.26 -4.73 2 0 17.05 -999 ? O4 B3P B 371 >SER.B 78 -59.44 88.06 -5.78 -57.84 88.60 -7.46 -58.64 88.33 -6.62 2 0 20.18 -999 ? O4 B3P B 371 >LEU.B 79 -58.03 84.19 -3.63 -58.15 85.00 -1.62 -58.09 84.60 -2.62 3 0 21.05 -999 ? O4 B3P B 371 >LYS.B 80 -55.71 83.86 -8.01 -56.90 88.35 -11.71 -56.30 86.10 -9.86 2 0 22.96 -999 ? O4 B3P B 371 >ALA.B 81 -52.46 81.95 -8.54 -52.39 80.66 -9.36 -52.42 81.31 -8.95 2 0 26.53 -999 ? O4 B3P B 371 >ASN~B 82 -50.45 85.66 -10.14 -51.94 87.17 -10.48 -51.20 86.42 -10.31 2 0 22.12 -999 ? O4 B3P B 371 >GLY~B 83 -49.05 87.91 -6.64 -49.25 87.15 -6.39 -49.15 87.53 -6.51 1 0 19.10 -999 ? O4 B3P B 371 >TYR~B 84 -49.86 90.29 -2.09 -47.88 92.17 -1.55 -48.87 91.23 -1.82 3 0 13.70 -999 ? O4 B3P B 371 >GLY~B 85 -52.96 85.52 -4.18 -52.18 85.43 -4.06 -52.57 85.48 -4.12 1 0 19.76 -999 ? O4 B3P B 371 >LEU~B 86 -49.09 82.99 -5.46 -48.10 81.49 -6.66 -48.59 82.24 -6.06 3 0 22.78 -999 ? ZN ZN B 401 >ILE~B 87 -48.53 84.68 -0.37 -47.47 85.49 0.15 -48.00 85.08 -0.11 3 0 16.89 -999 ? ZN ZN B 401 >ILE~B 88 -53.74 84.47 0.25 -54.62 85.56 0.47 -54.18 85.01 0.36 3 0 18.74 -999 ? O4 B3P B 371 >ARG~B 89 -54.69 81.19 -5.10 -56.38 78.84 -6.18 -55.53 80.02 -5.64 2 0 27.07 -999 ? O4 B3P B 371 >LYS~B 90 -50.51 78.47 -0.32 -44.92 76.48 -2.03 -47.71 77.48 -1.17 2 0 24.87 -999 ? ZN ZN B 401 >LEU~B 91 -51.58 80.65 3.99 -50.07 82.07 4.76 -50.83 81.36 4.37 3 0 19.27 -999 ? ZN ZN B 401 >ILE~B 92 -55.92 78.59 2.20 -57.15 79.32 2.12 -56.53 78.96 2.16 3 0 24.41 -999 ? ZN ZN B 401 >GLN~B 93 -54.40 75.33 -1.39 -54.01 75.15 -3.44 -54.20 75.24 -2.41 2 0 28.48 -999 ? ZN ZN B 401 >HIS~B 94 -49.13 73.87 2.20 -48.22 73.02 0.50 -48.67 73.44 1.35 3 0 26.87 -999 ? ZN ZN B 401 >ASP.B 95 -53.83 73.32 7.16 -55.46 72.49 6.09 -54.65 72.91 6.63 2 0 28.83 -999 ? ZN ZN B 401 >ILE.B 96 -49.85 77.91 6.96 -48.63 77.30 7.52 -49.24 77.61 7.24 3 0 21.90 -999 ? ZN ZN B 401 >ASN^B 97 -52.94 79.69 11.42 -53.96 77.86 11.53 -53.45 78.77 11.47 2 0 23.08 -999 ? ZN ZN B 402 >LEU^B 98 -51.24 84.23 8.29 -49.80 85.85 7.74 -50.52 85.04 8.02 3 0 15.25 -999 ? ZN ZN B 401 >ILE^B 99 -51.53 85.75 14.02 -51.84 85.31 15.32 -51.69 85.53 14.67 3 0 15.35 -999 ? ZN ZN B 402 >ALA^B 100 -50.76 89.87 12.14 -51.40 90.79 11.05 -51.08 90.33 11.59 2 0 10.75 -999 ? ZN ZN B 402 >MET.B 101 -49.46 91.81 15.13 -48.32 89.10 18.07 -48.89 90.45 16.60 2 0 11.95 -999 ? ZN ZN B 402 >HIS~B 102 -49.25 96.38 11.24 -48.46 97.85 9.95 -48.85 97.11 10.59 3 0 4.91 -999 ? O2 B3P B 371 >THR~B 103 -49.64 98.58 14.94 -50.94 99.86 13.76 -50.29 99.22 14.35 2 0 4.73 -999 ? O3 B3P B 371 >ASN~B 104 -51.47 95.82 18.77 -51.36 94.03 17.61 -51.42 94.92 18.19 2 0 9.93 -999 ? ZN ZN B 402 >LEU~B 105 -46.24 94.67 17.53 -44.76 93.23 18.09 -45.50 93.95 17.81 3 0 7.38 -999 ? ZN ZN B 402 >ASP~B 106 -46.09 100.09 15.88 -45.34 99.27 14.09 -45.71 99.68 14.98 2 0 1.96 -999 ? ZN ZN B 402s >VAL~B 107 -47.18 100.87 20.21 -49.25 101.28 19.60 -48.22 101.08 19.91 3 0 8.11 -999 ? O3 B3P B 371 >ASN.B 108 -46.37 96.74 22.48 -46.69 95.56 24.19 -46.53 96.15 23.33 2 0 12.45 -999 ? ZN ZN B 402 >PRO.B 109 -45.97 98.95 27.16 -44.61 98.86 25.30 -45.29 98.91 26.23 3 0 13.86 -999 ? ZN ZN B 402 >HIS.B 110 -42.37 94.78 26.84 -42.32 95.16 28.91 -42.35 94.97 27.88 3 0 16.10 -999 ? ZN ZN B 402 >GLY~B 111 -42.81 96.30 20.91 -42.15 96.64 21.19 -42.48 96.47 21.05 1 0 9.03 -999 ? ZN ZN B 402 >VAL~B 112 -40.98 97.38 17.70 -41.64 97.39 15.58 -41.31 97.38 16.64 3 0 5.47 -999 ? ZN ZN B 402 >ASN~B 113 -40.33 101.92 19.05 -41.19 102.20 17.14 -40.76 102.06 18.09 2 0 6.63 -999 ? ZN ZN B 402 >MET~B 114 -38.35 99.24 22.39 -37.39 98.86 25.46 -37.87 99.05 23.93 2 0 14.84 -999 ? ZN ZN B 402 >MET~B 115 -36.69 96.50 20.29 -39.34 93.73 18.92 -38.01 95.11 19.60 2 0 9.73 -999 ? ZN ZN B 402 >LEU~B 116 -35.77 100.03 17.08 -36.23 99.67 14.98 -36.00 99.85 16.03 3 0 9.23 -999 ? ZN ZN B 402 >ALA~B 117 -33.76 101.10 20.95 -34.64 101.84 21.99 -34.20 101.47 21.47 2 0 14.02 -999 ? ZN ZN B 402 >LYS~B 118 -32.38 97.99 22.65 -32.90 97.89 28.03 -32.64 97.94 25.34 2 0 19.45 -999 ? ZN ZN B 402 >VAL~B 119 -30.59 96.85 19.48 -31.11 95.61 17.81 -30.85 96.23 18.65 3 0 15.18 -999 ? ZN ZN B 402 >MET~B 120 -29.08 100.34 19.24 -31.51 102.96 17.27 -30.30 101.65 18.25 2 0 14.40 -999 ? ZN ZN B 402 >GLY.B 121 -27.73 100.03 22.78 -28.30 100.55 22.58 -28.01 100.29 22.68 1 0 19.70 -999 ? ZN ZN B 402 >LEU.B 122 -30.83 103.67 23.32 -30.39 104.63 21.40 -30.61 104.15 22.36 3 0 17.83 -999 ? ZN ZN B 402 >LYS^B 123 -30.72 103.65 27.68 -26.65 107.35 30.80 -28.69 105.50 29.24 2 0 26.96 -999 ? ZN ZN B 402 >ASN^B 124 -33.08 106.71 29.90 -31.70 106.69 31.55 -32.39 106.70 30.72 2 0 24.29 -999 ? ZN ZN B 402 >ILE^B 125 -35.96 102.72 26.25 -35.58 101.86 25.17 -35.77 102.29 25.71 3 0 16.24 -999 ? ZN ZN B 402 >SER^B 126 -39.70 105.17 27.27 -39.72 107.39 28.19 -39.71 106.28 27.73 2 0 17.89 -999 ? C11 B3P B 371 >ILE^B 127 -44.15 104.38 25.63 -44.59 103.64 24.36 -44.37 104.01 24.99 3 0 12.98 -999 ? C11 B3P B 371 >ILE.B 128 -42.82 109.39 22.95 -41.53 109.67 22.40 -42.18 109.53 22.67 3 0 12.75 -999 ? C11 B3P B 371 >ASN.B 129 -46.87 109.36 20.37 -45.46 110.67 19.43 -46.16 110.01 19.90 2 0 9.79 -999 ? C11 B3P B 371 >ASN^B 130 -49.01 108.02 26.04 -47.05 107.73 26.65 -48.03 107.87 26.34 2 0 14.69 -999 ? C11 B3P B 371 >GLN^B 131 -52.41 104.74 22.30 -53.07 102.81 21.63 -52.74 103.78 21.97 2 0 10.27 -999 ? O3 B3P B 371 >GLN^B 132 -55.13 110.55 26.11 -54.34 111.00 28.06 -54.73 110.78 27.09 2 0 18.12 -999 ? O3 B3P B 371 >ASP^B 133 -57.12 104.20 28.48 -55.49 103.35 27.39 -56.31 103.78 27.94 2 0 16.46 -999 ? O3 B3P B 371 >VAL^B 134 -61.24 106.23 28.88 -62.79 107.14 27.68 -62.02 106.69 28.28 3 0 20.86 -999 ? O3 B3P B 371 >TYR^B 135 -60.04 104.36 33.10 -57.67 103.06 32.39 -58.86 103.71 32.74 3 0 22.73 -999 ? O3 B3P B 371 >TYR^B 136 -67.10 105.92 32.90 -67.89 106.45 30.30 -67.49 106.18 31.60 3 0 26.89 -999 ? O3 B3P B 371 >LYS^B 137 -65.36 107.18 38.21 -61.63 110.53 41.66 -63.49 108.85 39.93 2 0 32.68 -999 ? O3 B3P B 371 >VAL^B 138 -68.58 105.63 39.48 -69.39 103.64 39.05 -68.99 104.63 39.27 3 0 33.62 -999 ? O3 B3P B 371 >GLN^B 139 -68.66 109.60 42.12 -68.48 111.74 42.02 -68.57 110.67 42.07 2 0 36.44 -999 ? O3 B3P B 371 >THR^B 140 -73.15 106.25 44.33 -74.04 104.33 43.78 -73.59 105.29 44.05 2 0 40.28 -999 ? O3 B3P B 371 >TYR^B 141 -74.68 109.96 46.47 -73.08 111.73 45.01 -73.88 110.85 45.74 3 0 42.31 -999 ? O3 B3P B 371 >ILE^B 142 -75.22 103.87 49.73 -74.70 102.55 49.89 -74.96 103.21 49.81 3 0 45.67 -999 ? O3 B3P B 371 >PRO~B 143 -79.09 104.97 53.21 -76.87 105.09 53.21 -77.98 105.03 53.21 3 0 50.19 -999 ? O3 B3P B 371 >LYS~B 144 -73.99 104.12 56.30 -69.99 102.62 56.83 -71.99 103.37 56.56 2 0 49.27 -999 ? O3 B3P B 371 >ASP~B 145 -76.73 100.72 58.46 -76.44 101.76 60.27 -76.58 101.24 59.36 2 0 55.34 -999 ? O3 B3P B 371 >ASN~B 146 -77.20 100.54 53.02 -79.09 100.83 54.00 -78.15 100.69 53.51 2 0 51.56 -999 ? O3 B3P B 371 >VAL~B 147 -72.59 100.40 52.86 -70.95 101.84 53.24 -71.77 101.12 53.05 3 0 46.79 -999 ? O3 B3P B 371 >GLY~B 148 -71.10 96.97 53.63 -71.72 97.11 53.14 -71.41 97.04 53.38 1 0 47.41 -999 ? O3 B3P B 371 >PRO~B 149 -75.00 95.04 53.58 -73.16 95.07 52.24 -74.08 95.06 52.91 3 0 48.58 -999 ? O3 B3P B 371 >PHE~B 150 -74.03 99.21 47.60 -74.01 100.46 45.07 -74.02 99.84 46.33 3 0 42.48 -999 ? O3 B3P B 371 >LYS~B 151 -69.89 96.96 48.64 -67.19 100.03 52.94 -68.54 98.49 50.79 2 0 44.72 -999 ? O3 B3P B 371 >ASP~B 152 -70.13 92.37 50.28 -69.08 92.80 52.09 -69.60 92.58 51.19 2 0 45.96 -999 ? O3 B3P B 371 >LYS~B 153 -72.23 92.46 46.38 -75.48 88.87 48.08 -73.85 90.66 47.23 2 0 47.02 -999 ? O3 B3P B 371 >LEU~B 154 -70.45 96.35 43.99 -71.95 97.82 43.42 -71.20 97.09 43.71 3 0 39.10 -999 ? O3 B3P B 371 >SER~B 155 -67.28 93.18 44.74 -65.16 93.31 45.87 -66.22 93.24 45.31 2 0 38.75 -999 ? O3 B3P B 371 >GLU~B 156 -69.74 88.68 46.76 -71.52 87.99 47.61 -70.63 88.33 47.18 2 0 44.83 -999 ? O3 B3P B 371 >ASN~B 157 -71.10 91.16 40.81 -72.67 89.90 41.47 -71.89 90.53 41.14 2 0 40.14 -999 ? O3 B3P B 371 >GLY.B 158 -66.21 91.75 40.15 -66.71 92.31 40.34 -66.46 92.03 40.25 1 0 34.95 -999 ? O3 B3P B 371 >LEU.B 159 -67.79 96.32 40.50 -69.36 96.46 38.94 -68.58 96.39 39.72 3 0 34.56 -999 ? O3 B3P B 371 >ALA.B 160 -63.63 97.58 42.03 -64.29 98.06 43.34 -63.96 97.82 42.69 2 0 35.12 -999 ? O3 B3P B 371 >GLU.B 166 -60.61 91.63 44.11 -60.85 89.56 44.56 -60.73 90.59 44.33 2 0 37.24 -999 ? O3 B3P B 371 >TYR.B 167 -63.88 95.28 49.15 -66.21 95.47 50.68 -65.04 95.38 49.92 3 0 41.79 -999 ? O3 B3P B 371 >CYH.B 168 -61.16 99.28 46.00 -59.02 98.07 44.81 -60.09 98.67 45.41 2 0 34.53 -999 ? O3 B3P B 371 >PHE.B 169 -65.64 100.43 47.30 -67.29 98.50 46.10 -66.47 99.46 46.70 3 0 38.87 -999 ? O3 B3P B 371 >PHE^B 170 -62.21 107.77 48.48 -61.65 110.04 50.02 -61.93 108.90 49.25 3 0 39.49 -999 ? O3 B3P B 371 >GLU^B 171 -66.65 104.35 51.79 -66.88 102.97 53.37 -66.76 103.66 52.58 2 0 44.83 -999 ? O3 B3P B 371 >SER^B 172 -67.04 110.14 51.63 -66.67 110.15 49.15 -66.85 110.14 50.39 2 0 41.38 -999 ? O3 B3P B 371 >GLU^B 173 -68.84 109.86 56.27 -69.26 109.60 58.32 -69.05 109.73 57.30 2 0 50.63 -999 ? O3 B3P B 371 >GLY^B 174 -72.22 113.85 53.47 -72.59 113.18 53.80 -72.41 113.52 53.64 1 0 48.35 -999 ? O3 B3P B 371 >GLY^B 176 -78.50 114.39 51.11 -78.65 114.67 51.90 -78.57 114.53 51.50 1 0 49.92 -999 ? O3 B3P B 371 >GLN.B 177 -80.38 118.46 50.95 -80.14 120.37 51.88 -80.26 119.41 51.41 2 0 53.05 -999 ? O3 B3P B 371 >GLU.B 195 -77.32 118.44 56.03 -77.24 120.43 56.79 -77.28 119.44 56.41 2 0 55.28 -999 ? O3 B3P B 371 >ASP.B 196 -83.66 115.23 54.46 -85.42 116.48 54.55 -84.54 115.85 54.51 2 0 57.24 -999 ? O3 B3P B 371 >VAL^B 197 -80.51 112.26 55.11 -81.48 110.71 53.92 -81.00 111.48 54.51 3 0 53.57 -999 ? O3 B3P B 371 >ASP^B 198 -76.58 110.78 57.59 -76.81 112.28 59.06 -76.70 111.53 58.33 2 0 55.09 -999 ? O3 B3P B 371 >GLU^B 199 -77.31 110.33 51.94 -78.27 110.21 50.08 -77.79 110.27 51.01 2 0 48.27 -999 ? O3 B3P B 371 >VAL^B 200 -72.07 107.81 52.28 -70.88 106.34 53.39 -71.48 107.08 52.83 3 0 46.50 -999 ? O3 B3P B 371 >LYS^B 201 -70.79 108.75 48.84 -67.72 112.70 45.12 -69.26 110.73 46.98 2 0 38.84 -999 ? O3 B3P B 371 >ILE^B 202 -69.38 104.25 47.86 -69.45 102.98 48.71 -69.42 103.61 48.28 3 0 41.41 -999 ? O3 B3P B 371 >GLU^B 203 -66.30 108.47 45.19 -65.02 110.19 45.11 -65.66 109.33 45.15 2 0 37.09 -999 ? O3 B3P B 371 >PHE^B 204 -66.49 101.69 42.30 -69.02 100.99 41.35 -67.76 101.34 41.83 3 0 35.11 -999 ? O3 B3P B 371 >MET^B 205 -63.16 103.02 38.99 -61.66 105.83 38.76 -62.41 104.42 38.88 2 0 29.43 -999 ? O3 B3P B 371 >ILE^B 206 -65.89 100.84 35.80 -67.20 101.09 35.81 -66.55 100.97 35.81 3 0 29.53 -999 ? O3 B3P B 371 >ASP^B 207 -62.44 99.32 31.90 -60.71 98.68 32.90 -61.58 99.00 32.40 2 0 24.30 -999 ? O3 B3P B 371 >ALA.B 208 -65.20 102.11 29.76 -64.69 102.85 28.52 -64.95 102.48 29.14 2 0 22.66 -999 ? O3 B3P B 371 >TYR.B 209 -65.25 96.72 28.91 -63.86 95.08 30.69 -64.55 95.90 29.80 3 0 24.78 -999 ? O3 B3P B 371 >GLN~B 210 -66.00 97.06 33.22 -64.77 97.17 34.97 -65.39 97.11 34.10 2 0 28.47 -999 ? O3 B3P B 371 >LYS~B 211 -70.54 101.08 32.38 -72.03 107.21 30.92 -71.28 104.14 31.65 2 0 29.87 -999 ? O3 B3P B 371 >SER~B 212 -73.65 99.09 31.39 -73.40 97.15 29.92 -73.53 98.12 30.66 2 0 30.92 -999 ? O3 B3P B 371 >ARG~B 213 -71.11 92.84 34.22 -70.18 91.65 36.92 -70.65 92.24 35.57 2 0 34.75 -999 ? O3 B3P B 371 >ALA~B 214 -72.11 98.67 36.59 -71.12 99.82 36.53 -71.62 99.24 36.56 2 0 33.12 -999 ? O3 B3P B 371 >GLU~B 215 -75.77 102.17 34.30 -77.34 103.06 33.18 -76.55 102.62 33.74 2 0 35.29 -999 ? O3 B3P B 371 >LEU~B 217 -73.90 95.50 39.49 -72.99 93.57 39.06 -73.45 94.54 39.28 3 0 37.64 -999 ? O3 B3P B 371 >ILE~B 218 -75.45 100.60 40.61 -74.76 101.86 40.80 -75.11 101.23 40.71 3 0 38.73 -999 ? O3 B3P B 371 >LYS~B 219 -79.69 99.31 40.34 -81.98 102.34 35.33 -80.84 100.82 37.84 2 0 40.33 -999 ? O6 B3P B 371 >GLN~B 220 -79.56 93.16 41.39 -78.62 91.51 40.44 -79.09 92.33 40.92 2 0 42.75 -999 ? O3 B3P B 371 >TYR~B 221 -76.64 93.89 44.30 -76.35 91.42 43.01 -76.49 92.65 43.66 3 0 43.24 -999 ? O3 B3P B 371 >HIS~B 222 -78.49 101.96 45.58 -77.98 103.75 46.55 -78.24 102.86 46.06 3 0 44.73 -999 ? O3 B3P B 371 >PRO.B 223 -79.05 100.62 50.15 -80.51 100.21 48.51 -79.78 100.42 49.33 3 0 48.33 -999 ? O3 B3P B 371 >TYR.B 224 -83.24 105.70 47.06 -84.73 107.98 47.79 -83.98 106.84 47.42 3 0 49.72 -999 ? O3 B3P B 371 >THR.B 226 -84.67 104.87 42.61 -86.35 106.23 42.56 -85.51 105.55 42.58 2 0 48.20 -999 ? O3 B3P B 371 >PRO.B 227 -80.75 102.80 42.24 -81.58 104.71 43.14 -81.16 103.76 42.69 3 0 44.32 -999 ? O3 B3P B 371 >VAL.B 228 -78.68 107.89 42.68 -79.23 109.89 43.45 -78.96 108.89 43.06 3 0 43.29 -999 ? O3 B3P B 371 >PHE^B 229 -76.23 105.02 39.45 -77.89 104.03 37.42 -77.06 104.53 38.44 3 0 38.42 -999 ? O3 B3P B 371 >ASP^B 230 -72.67 110.26 38.86 -74.22 111.29 39.84 -73.44 110.77 39.35 2 0 38.13 -999 ? O3 B3P B 371 >PHE^B 231 -71.45 105.76 35.06 -72.86 103.46 35.75 -72.15 104.61 35.41 3 0 32.78 -999 ? O3 B3P B 371 >ILE^B 232 -67.20 111.29 36.68 -67.07 112.38 37.55 -67.13 111.84 37.12 3 0 31.80 -999 ? O3 B3P B 371 >GLU^B 233 -64.75 110.13 30.02 -64.81 111.27 28.28 -64.78 110.70 29.15 2 0 23.73 -999 ? O3 B3P B 371 >ILE^B 234 -61.36 109.30 34.62 -60.92 110.35 35.55 -61.14 109.83 35.08 3 0 26.53 -999 ? O3 B3P B 371 >LYS^B 235 -59.03 109.94 30.76 -61.23 112.02 25.19 -60.13 110.98 27.97 2 0 19.61 -999 ? O3 B3P B 371 >GLN^B 236 -56.64 107.16 33.75 -56.27 105.55 35.10 -56.46 106.36 34.43 2 0 24.01 -999 ? O3 B3P B 371 >THR^B 237 -52.44 108.37 29.86 -50.86 109.78 29.72 -51.65 109.08 29.79 2 0 18.49 -999 ? O3 B3P B 371 >SER^B 238 -51.94 104.93 28.42 -52.18 103.18 26.80 -52.06 104.05 27.61 2 0 14.87 -999 ? O3 B3P B 371 >LEU^B 239 -48.68 101.53 29.50 -48.28 101.61 31.66 -48.48 101.57 30.58 3 0 18.39 -999 ? C11 B3P B 371 >TYR^B 240 -50.62 100.21 25.05 -50.95 97.88 26.56 -50.79 99.04 25.81 3 0 14.45 -999 ? O3 B3P B 371 >GLY^B 241 -47.85 104.83 22.34 -47.48 104.09 22.19 -47.67 104.46 22.27 1 0 9.97 -999 ? C11 B3P B 371 >LEU.B 242 -46.92 105.58 17.67 -46.34 104.98 15.66 -46.63 105.28 16.66 3 0 -4.49 -999 ? C11 B3P B 371s >GLY.B 243 -42.43 105.50 19.35 -42.85 105.21 20.01 -42.64 105.36 19.68 1 0 8.60 -999 ? C9 B3P B 371 >VAL^B 244 -39.89 105.66 22.13 -39.00 103.62 22.16 -39.44 104.64 22.14 3 0 12.22 -999 ? C9 B3P B 371 >MET^B 245 -37.56 108.34 23.42 -36.85 111.64 22.56 -37.21 109.99 22.99 2 0 16.04 -999 ? C9 B3P B 371 >ALA^B 246 -34.19 107.12 24.62 -33.94 105.74 24.07 -34.07 106.43 24.34 2 0 17.09 -999 ? C9 B3P B 371 >GLU^B 247 -31.22 109.21 27.34 -30.40 110.15 29.06 -30.81 109.68 28.20 2 0 23.94 -999 ? C9 B3P B 371 >VAL^B 248 -27.08 107.27 24.02 -26.44 108.41 22.28 -26.76 107.84 23.15 3 0 22.29 -999 ? C9 B3P B 371 >ASP^B 249 -23.79 105.17 26.81 -24.71 103.27 27.11 -24.25 104.22 26.96 2 0 25.00 -999 ? ZN ZN B 402 >ASN^B 250 -20.97 108.59 25.61 -20.31 107.30 27.18 -20.64 107.95 26.40 2 0 29.52 -999 ? ZN ZN B 402 >GLN^B 251 -23.90 114.82 23.47 -23.70 116.91 24.07 -23.80 115.87 23.77 2 0 28.26 -999 ? C9 B3P B 371 >MET^B 252 -22.00 111.70 20.27 -23.28 107.84 19.73 -22.64 109.77 20.00 2 0 23.77 -999 ? O1 B3P B 371 >THR^B 253 -22.09 113.30 16.82 -20.05 113.41 15.98 -21.07 113.35 16.40 2 0 27.26 -999 ? O1 B3P B 371 >LEU~B 254 -25.67 113.82 13.64 -27.65 113.66 12.72 -26.66 113.74 13.18 3 0 21.12 -999 ? O1 B3P B 371 >GLU~B 255 -20.38 111.90 11.70 -18.96 112.82 10.43 -19.67 112.36 11.07 2 0 27.47 -999 ? O1 B3P B 371 >ASP~B 256 -20.30 109.27 15.70 -18.39 109.99 15.10 -19.34 109.63 15.40 2 0 27.54 -999 ? O1 B3P B 371 >PHE~B 257 -26.83 107.98 16.93 -29.02 106.55 17.83 -27.92 107.27 17.38 3 0 18.58 -999 ? O1 B3P B 371 >ALA~B 258 -25.75 107.06 12.27 -25.81 108.04 11.07 -25.78 107.55 11.67 2 0 19.47 -999 ? O1 B3P B 371 >ALA~B 259 -22.66 104.84 11.68 -21.21 105.32 11.66 -21.94 105.08 11.67 2 0 23.53 -999 ? O1 B3P B 371 >ASP~B 260 -23.14 103.74 16.35 -22.94 102.41 17.89 -23.04 103.07 17.12 2 0 22.46 -999 ? ZN ZN B 402 >ILE~B 261 -27.97 102.94 14.74 -28.70 104.19 15.14 -28.33 103.57 14.94 3 0 16.89 -999 ? O1 B3P B 371 >LYS~B 262 -25.92 101.11 10.73 -22.76 101.80 5.19 -24.34 101.46 7.96 2 0 21.77 -999 ? ZN ZN B 401 >SER~B 263 -23.45 98.60 12.16 -21.44 97.91 13.29 -22.45 98.26 12.72 2 0 23.00 -999 ? ZN ZN B 401 >LYS~B 264 -25.65 97.39 15.03 -24.30 100.78 20.10 -24.98 99.08 17.56 2 0 21.63 -999 ? ZN ZN B 402 >LEU~B 265 -29.76 97.82 12.56 -31.42 98.42 13.86 -30.59 98.12 13.21 3 0 13.88 -999 ? ZN ZN B 402 >ASN.B 266 -26.66 93.99 9.88 -25.50 92.94 8.46 -26.08 93.46 9.17 2 0 19.42 -999 ? ZN ZN B 401 >ILE.B 267 -28.63 99.36 7.96 -29.73 100.23 8.41 -29.18 99.80 8.19 3 0 14.88 -999 ? ZN ZN B 401 >PRO.B 268 -28.11 96.54 3.36 -26.95 98.10 4.51 -27.53 97.32 3.93 3 0 17.27 -999 ? ZN ZN B 401 >SER.B 269 -26.94 101.96 3.67 -27.42 103.67 1.99 -27.18 102.82 2.83 2 0 18.61 -999 ? ZN ZN B 401 >VAL^B 270 -28.04 104.71 6.05 -28.06 104.45 8.23 -28.05 104.58 7.14 3 0 16.94 -999 ? O1 B3P B 371 >ARG^B 271 -31.35 108.28 2.46 -33.78 107.49 0.72 -32.56 107.88 1.59 2 0 13.51 -999 ? ZN ZN A 402 >PHE^B 272 -26.75 111.69 8.68 -24.14 112.55 8.35 -25.44 112.12 8.51 3 0 21.32 -999 ? O1 B3P B 371 >VAL^B 273 -30.25 114.86 7.64 -32.14 115.40 6.59 -31.19 115.13 7.11 3 0 17.03 -999 ? ZN ZN A 402 >GLY.B 274 -28.47 117.52 9.71 -27.96 117.13 9.12 -28.21 117.32 9.41 1 0 20.62 -999 ? ZN ZN A 402 >GLU.B 275 -25.20 121.46 10.93 -24.62 123.07 12.36 -24.91 122.27 11.64 2 0 25.80 -999 ? ZN ZN A 402 >SER.B 276 -22.68 115.73 10.58 -20.65 116.33 9.43 -21.66 116.03 10.01 2 0 25.34 -999 ? ZN ZN A 402 >ASN.B 277 -19.77 118.00 13.68 -20.27 120.09 13.40 -20.02 119.05 13.54 2 0 28.69 -999 ? ZN ZN A 402 >GLN.B 278 -26.87 118.21 15.61 -27.09 120.31 15.82 -26.98 119.26 15.72 2 0 25.00 -999 ? C9 B3P B 371 >LYS^B 279 -24.21 116.62 19.11 -18.97 117.38 20.12 -21.59 117.00 19.62 2 0 30.88 -999 ? C9 B3P B 371 >ILE^B 280 -26.83 112.79 18.75 -27.90 113.14 18.13 -27.36 112.97 18.44 3 0 21.34 -999 ? C9 B3P B 371 >LYS^B 281 -28.04 112.72 23.19 -26.42 110.42 27.70 -27.23 111.57 25.44 2 0 25.78 -999 ? C9 B3P B 371 >ARG^B 282 -33.19 114.41 25.86 -36.09 114.50 26.81 -34.64 114.45 26.34 2 0 20.90 -999 ? C9 B3P B 371 >ILE^B 283 -32.31 108.71 20.09 -31.29 108.16 19.79 -31.80 108.44 19.94 3 0 16.61 -999 ? C9 B3P B 371 >ALA^B 284 -36.83 109.49 19.17 -37.78 110.64 18.83 -37.31 110.07 19.00 2 0 12.60 -999 ? C9 B3P B 371 >ILE^B 285 -36.79 105.03 17.71 -35.78 104.10 17.83 -36.29 104.56 17.77 3 0 11.02 -999 ? C9 B3P B 371 >ILE.B 286 -41.65 106.23 14.73 -42.98 106.75 14.93 -42.32 106.49 14.83 3 0 5.29 -999 ? C9 B3P B 371 >GLY.B 287 -39.64 102.20 13.09 -40.38 102.61 13.11 -40.01 102.40 13.10 1 0 -5.68 -999 ? O1 B3P B 371s >GLY.B 288 -41.26 101.79 9.71 -40.78 102.47 9.85 -41.02 102.13 9.78 1 0 -3.59 -999 ? O1 B3P B 371s >SER.B 289 -42.54 105.00 8.17 -43.55 106.07 6.24 -43.04 105.54 7.20 2 0 -5.32 -999 ? O1 B3P B 371s >GLY.B 290 -42.85 107.65 10.92 -42.56 107.92 10.26 -42.71 107.78 10.59 1 0 4.65 -999 ? C9 B3P B 371 >ILE.B 291 -41.84 111.11 7.60 -40.81 112.20 7.80 -41.33 111.66 7.70 3 0 9.62 -999 ? C9 B3P B 371 >GLY.B 292 -45.16 113.16 10.27 -44.47 113.01 10.77 -44.81 113.09 10.52 1 0 9.39 -999 ? N2 B3P B 371 >TYR~B 293 -45.29 110.79 14.65 -47.81 109.59 14.74 -46.55 110.19 14.69 3 0 6.51 -999 ? C11 B3P B 371 >GLU~B 294 -39.97 115.47 11.20 -41.44 114.67 9.87 -40.70 115.07 10.54 2 0 11.71 -999 ? C9 B3P B 371 >TYR~B 295 -41.84 119.19 12.43 -40.61 119.57 9.93 -41.22 119.38 11.18 3 0 16.19 -999 ? C9 B3P B 371 >GLN~B 296 -45.45 115.55 18.78 -47.38 114.77 18.25 -46.42 115.16 18.52 2 0 12.11 -999 ? C11 B3P B 371 >ALA~B 297 -40.42 114.50 18.56 -39.73 113.50 17.66 -40.07 114.00 18.11 2 0 12.86 -999 ? C9 B3P B 371 >VAL~B 298 -38.26 117.62 18.62 -36.99 118.70 17.27 -37.62 118.16 17.94 3 0 17.59 -999 ? C9 B3P B 371 >GLN~B 299 -42.89 120.44 19.33 -44.82 119.77 18.42 -43.85 120.11 18.88 2 0 16.94 -999 ? C11 B3P B 371 >GLN~B 300 -42.91 114.82 22.42 -43.66 113.23 21.08 -43.28 114.03 21.75 2 0 13.12 -999 ? C11 B3P B 371 >GLY.B 301 -36.91 116.79 23.47 -37.11 116.39 22.81 -37.01 116.59 23.14 1 0 19.64 -999 ? C9 B3P B 371 >ALA.B 302 -35.41 114.66 20.68 -36.18 113.88 19.61 -35.80 114.27 20.14 2 0 15.90 -999 ? C9 B3P B 371 >ASP.B 303 -30.67 115.41 19.76 -30.51 116.22 21.72 -30.59 115.81 20.74 2 0 21.91 -999 ? C9 B3P B 371 >VAL^B 304 -32.77 113.32 16.20 -31.29 111.70 15.64 -32.03 112.51 15.92 3 0 16.52 -999 ? C9 B3P B 371 >PHE^B 305 -38.13 111.44 14.05 -40.46 109.92 13.70 -39.29 110.68 13.87 3 0 9.49 -999 ? C9 B3P B 371 >VAL^B 306 -34.98 107.93 13.61 -33.34 106.69 14.39 -34.16 107.31 14.00 3 0 11.87 -999 ? O1 B3P B 371 >THR^B 307 -37.32 106.26 11.14 -39.05 107.36 10.28 -38.18 106.81 10.71 2 0 7.10 -999 ? O1 B3P B 371 >GLY.B 308 -37.60 104.71 7.65 -38.14 105.31 7.82 -37.87 105.01 7.74 1 0 7.72 -999 ? O1 B3P B 371 >ASP.B 309 -40.43 105.08 4.20 -40.75 103.07 3.51 -40.59 104.08 3.86 2 0 7.61 -999 ? ZN ZN B 401 >ILE.B 310 -36.72 109.86 5.22 -36.33 110.61 6.43 -36.52 110.23 5.82 3 0 11.80 -999 ? O1 B3P B 371 >LYS~B 311 -38.57 111.14 1.14 -44.17 110.56 -0.29 -41.37 110.85 0.42 2 0 6.90 -999 ? O5 B3P A 371 >HIS~B 312 -36.00 115.58 -2.34 -34.91 117.32 -2.81 -35.46 116.45 -2.58 3 0 6.47 -999 ? ZN ZN A 402 >HIS~B 313 -40.27 117.73 -1.83 -39.85 118.55 -3.71 -40.06 118.14 -2.77 3 0 5.49 -999 ? ZN ZN A 402 >ASP~B 314 -40.38 114.62 4.43 -42.39 114.53 3.82 -41.39 114.57 4.12 2 0 9.37 -999 ? O5 B3P A 371 >ALA~B 315 -35.93 115.64 4.42 -34.97 114.71 3.67 -35.45 115.17 4.05 2 0 12.42 -999 ? ZN ZN A 402 >LEU~B 316 -36.06 119.46 1.36 -35.08 120.83 -0.02 -35.57 120.15 0.67 3 0 10.01 -999 ? ZN ZN A 402 >ASP~B 317 -39.61 120.08 5.26 -40.74 120.57 3.54 -40.18 120.33 4.40 2 0 10.65 -999 ? O4 B3P A 371 >ALA~B 318 -36.48 118.93 8.15 -36.28 117.41 8.35 -36.38 118.17 8.25 2 0 16.54 -999 ? ZN ZN A 402 >LYS~B 319 -33.05 120.28 7.11 -27.72 119.85 5.88 -30.38 120.06 6.50 2 0 18.23 -999 ? ZN ZN A 402 >ILE~B 320 -35.10 124.46 5.59 -35.91 125.51 5.03 -35.50 124.99 5.31 3 0 16.17 -999 ? ZN ZN A 402 >HIS~B 321 -38.45 123.77 9.41 -39.84 124.80 8.23 -39.15 124.29 8.82 3 0 16.92 -999 ? O4 B3P A 371 >GLY~B 322 -33.03 122.15 11.86 -33.72 121.76 11.70 -33.38 121.96 11.78 1 0 21.47 -999 ? ZN ZN A 402 >VAL.B 323 -34.85 118.89 12.56 -36.98 118.37 12.85 -35.91 118.63 12.70 3 0 17.65 -999 ? C9 B3P B 371 >ASN.B 324 -31.13 115.98 13.50 -30.12 117.78 13.83 -30.63 116.88 13.66 2 0 20.81 -999 ? C9 B3P B 371 >LEU^B 325 -34.15 112.90 9.65 -36.09 113.81 9.45 -35.12 113.36 9.55 3 0 14.11 -999 ? O1 B3P B 371 >ILE^B 326 -30.94 108.55 11.35 -29.71 108.18 11.93 -30.33 108.37 11.64 3 0 15.31 -999 ? O1 B3P B 371 >ASP^B 327 -33.51 107.30 6.30 -34.89 106.08 5.25 -34.20 106.69 5.78 2 0 11.42 -999 ? O1 B3P B 371 >ILE.B 328 -32.63 102.96 10.43 -32.97 102.98 11.82 -32.80 102.97 11.12 3 0 11.81 -999 ? O1 B3P B 371 >ASN~B 329 -34.09 101.07 5.53 -32.43 102.02 4.53 -33.26 101.55 5.03 2 0 12.78 -999 ? ZN ZN B 401 >HIS~B 330 -40.87 100.43 6.30 -42.90 100.10 6.71 -41.89 100.27 6.51 3 0 -3.52 -999 ? ZN ZN B 401s >TYR~B 331 -35.74 95.21 5.65 -35.48 92.47 6.11 -35.61 93.84 5.88 3 0 10.21 -999 ? ZN ZN B 401 >SER~B 332 -35.18 97.79 10.03 -33.17 99.10 9.80 -34.18 98.44 9.92 2 0 10.87 -999 ? ZN ZN B 401 >GLU~B 333 -40.33 98.40 11.28 -42.37 98.54 11.02 -41.35 98.47 11.15 2 0 2.50 -999 ? ZN ZN B 402s >TYR~B 334 -34.63 93.02 10.30 -32.01 93.55 11.20 -33.32 93.28 10.75 3 0 12.17 -999 ? ZN ZN B 401 >VAL~B 335 -35.74 93.28 14.48 -35.10 95.35 15.09 -35.42 94.32 14.78 3 0 10.37 -999 ? ZN ZN B 402 >MET~B 336 -39.21 92.23 15.64 -41.42 91.43 13.15 -40.32 91.83 14.39 2 0 8.05 -999 ? ZN ZN B 402 >LYS~B 337 -38.72 88.65 14.37 -36.15 88.00 9.08 -37.43 88.33 11.73 2 0 13.35 -999 ? ZN ZN B 401 >GLU~B 338 -33.81 87.38 15.92 -33.58 85.29 16.19 -33.70 86.33 16.06 2 0 17.79 -999 ? ZN ZN B 402 >GLY~B 339 -37.72 90.24 19.44 -38.08 89.61 19.05 -37.90 89.93 19.24 1 0 13.00 -999 ? ZN ZN B 402 >LEU~B 340 -42.15 88.84 18.02 -44.32 88.63 18.18 -43.23 88.74 18.10 3 0 11.68 -999 ? ZN ZN B 402 >LYS~B 341 -39.65 85.20 19.28 -34.96 81.13 18.55 -37.31 83.16 18.92 2 0 21.03 -999 ? ZN ZN B 402 >THR~B 342 -38.03 86.10 22.61 -36.17 87.03 23.23 -37.10 86.56 22.92 2 0 18.04 -999 ? ZN ZN B 402 >LEU~B 343 -42.04 88.72 23.37 -41.80 90.86 23.81 -41.92 89.79 23.59 3 0 14.62 -999 ? ZN ZN B 402 >LEU~B 344 -43.72 84.24 21.48 -45.72 83.39 20.92 -44.72 83.82 21.20 3 0 17.44 -999 ? ZN ZN B 402 >MET~B 345 -40.91 82.03 24.29 -39.98 79.51 22.43 -40.44 80.77 23.36 2 0 22.25 -999 ? ZN ZN B 402 >ASN~B 346 -40.70 85.35 27.86 -40.93 85.91 29.91 -40.82 85.63 28.88 2 0 22.06 -999 ? ZN ZN B 402 >TRP~B 347 -45.02 87.04 27.40 -45.85 88.61 23.88 -45.44 87.83 25.64 3 0 17.27 -999 ? ZN ZN B 402 >PHE~B 348 -45.30 79.80 24.21 -46.77 80.02 21.81 -46.03 79.91 23.01 3 0 21.78 -999 ? ZN ZN B 402 >ASN~B 349 -41.24 80.20 29.85 -40.37 79.50 31.68 -40.80 79.85 30.77 2 0 27.62 -999 ? ZN ZN B 402 >ILE~B 350 -45.41 82.78 31.95 -44.98 83.41 33.18 -45.19 83.09 32.57 3 0 25.62 -999 ? ZN ZN B 402 >GLU~B 351 -49.00 81.10 29.39 -50.54 81.73 30.63 -49.77 81.41 30.01 2 0 25.76 -999 ? ZN ZN B 402 >LYS.B 352 -45.85 76.08 30.61 -43.31 76.30 35.48 -44.58 76.19 33.04 2 0 32.29 -999 ? ZN ZN B 402 >ILE.B 353 -47.15 76.83 26.09 -48.23 77.37 25.42 -47.69 77.10 25.76 3 0 25.75 -999 ? ZN ZN B 402 >ASN.B 354 -43.67 72.11 25.28 -43.07 71.73 27.30 -43.37 71.92 26.29 2 0 30.99 -999 ? ZN ZN B 402 >ILE.B 355 -45.79 75.50 21.05 -47.04 75.64 20.56 -46.42 75.57 20.81 3 0 24.84 -999 ? ZN ZN B 402 >ASP.B 356 -40.77 75.04 18.31 -40.20 73.11 18.93 -40.49 74.07 18.62 2 0 26.91 -999 ? ZN ZN B 402 >VAL^B 357 -41.00 79.44 18.27 -42.07 81.04 19.29 -41.54 80.24 18.78 3 0 19.90 -999 ? ZN ZN B 402 >GLU^B 358 -37.50 78.11 15.30 -36.84 76.76 13.81 -37.17 77.43 14.55 2 0 23.42 -999 ? ZN ZN B 402 >ALA^B 359 -37.64 83.77 14.06 -36.65 84.75 14.63 -37.14 84.26 14.34 2 0 16.27 -999 ? ZN ZN B 402 >SER.B 360 -37.68 83.46 10.19 -38.22 83.94 7.84 -37.95 83.70 9.01 2 0 15.98 -999 ? ZN ZN B 401 >THR.B 361 -34.12 83.79 8.93 -33.38 81.71 9.03 -33.75 82.75 8.98 2 0 20.12 -999 ? ZN ZN B 401 >ILE.B 362 -36.35 84.40 4.67 -36.90 83.65 3.69 -36.63 84.03 4.18 3 0 17.18 -999 ? ZN ZN B 401 >ASN.B 363 -32.73 88.94 4.03 -32.60 91.05 3.94 -32.67 90.00 3.98 2 0 14.65 -999 ? ZN ZN B 401 >THR.B 364 -37.37 89.63 2.86 -38.82 89.07 4.47 -38.10 89.35 3.66 2 0 11.88 -999 ? ZN ZN B 401 >ASP.B 365 -34.85 93.86 2.40 -34.89 96.00 2.14 -34.87 94.93 2.27 2 0 11.69 -999 ? ZN ZN B 401 >PRO.B 366 -38.93 95.50 -0.42 -37.38 93.93 -0.71 -38.15 94.72 -0.57 3 0 11.85 -999 ? ZN ZN B 401 >PHE.B 367 -35.31 98.62 -1.36 -37.14 100.63 -1.86 -36.22 99.63 -1.61 3 0 13.10 -999 ? ZN ZN B 401 >GLN^B 368 -29.16 93.76 -3.85 -28.70 92.01 -5.01 -28.93 92.88 -4.43 2 0 21.77 -999 ? ZN ZN B 401 >TYR^B 369 -29.25 98.98 -0.08 -31.55 99.95 1.11 -30.40 99.46 0.52 3 0 15.99 -999 ? ZN ZN B 401 >ILE.B 370 -25.38 98.23 -5.73 -25.82 98.11 -6.86 -25.60 98.17 -6.29 3 0 22.30 -999 ? O1 B3P A 371