#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u97 n THR 2 N 0.00 0.01 -0.02 2.03 5.66 -1.26 -4.55 114.28 116.15 1u97 n THR 2 Ca 0.00 -0.26 -0.03 0.00 -3.05 0.00 0.00 64.05 60.71 1u97 n THR 2 Cb 0.00 0.46 -0.02 0.00 -1.55 0.00 0.00 70.33 69.22 1u97 n THR 2 CO 0.00 0.00 0.00 1.21 -3.05 0.00 0.00 175.07 173.23 1u97 n GLU 3 N -1.90 1.03 -4.12 1.09 2.13 -1.26 -5.01 120.64 112.60 1u97 n GLU 3 Ca -0.00 0.02 -0.35 0.00 0.66 0.00 0.00 57.16 57.49 1u97 n GLU 3 Cb 0.46 -1.09 -0.10 0.00 0.27 0.00 0.00 31.44 30.98 1u97 n GLU 3 CO 0.00 0.00 0.00 0.95 -0.41 0.00 0.00 177.13 177.67 1u97 s THR 4 N -2.09 4.64 0.00 6.31 -4.23 -1.26 -4.94 115.64 114.07 1u97 s THR 4 Ca -0.05 -0.10 0.00 0.00 -1.18 0.00 0.00 61.69 60.36 1u97 s THR 4 Cb 0.01 -3.05 0.00 0.00 1.34 0.00 0.00 72.50 70.80 1u97 s THR 4 CO 0.12 0.51 0.19 0.47 -0.54 0.00 0.00 174.62 175.37 1u97 n ASP 5 N 3.11 0.00 -4.11 3.99 9.92 -1.26 -3.79 116.55 124.41 1u97 n ASP 5 Ca -0.17 -1.00 -0.14 0.00 -0.53 0.00 0.00 54.79 52.94 1u97 n ASP 5 Cb 0.53 0.00 -0.11 0.00 -0.64 0.00 0.00 41.12 40.89 1u97 n ASP 5 CO 0.00 0.00 0.00 -0.75 0.13 0.00 0.00 177.20 176.58 1u97 s LYS 6 N 0.00 0.66 0.06 -1.24 2.20 -1.26 -5.16 119.74 115.00 1u97 s LYS 6 Ca 0.00 -0.90 0.02 0.00 -0.36 0.00 0.00 55.97 54.73 1u97 s LYS 6 Cb 0.00 -0.46 -0.03 0.00 -1.51 0.00 0.00 37.83 35.83 1u97 s LYS 6 CO 0.00 0.08 -0.07 0.21 -0.36 0.00 0.00 175.35 175.21 1u97 s LYS 7 N -1.92 0.63 -0.17 4.03 2.20 -1.26 -5.02 119.74 118.24 1u97 s LYS 7 Ca -0.05 -0.96 -0.12 0.00 -0.36 0.00 0.00 55.97 54.49 1u97 s LYS 7 Cb -0.08 -0.26 0.05 0.00 -1.51 0.00 0.00 37.83 36.03 1u97 s LYS 7 CO 0.01 0.03 0.24 1.04 -0.36 0.00 0.00 175.35 176.30 1u97 n GLN 8 N 0.94 -4.50 -0.02 4.03 6.02 -1.26 -5.02 117.38 117.57 1u97 n GLN 8 Ca -0.19 3.39 -0.03 0.00 -0.01 0.00 0.00 57.00 60.16 1u97 n GLN 8 Cb 0.57 -4.92 -0.02 0.00 1.02 0.00 0.00 30.24 26.89 1u97 n GLN 8 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 1u97 n GLU 9 N 1.65 0.10 0.00 -1.09 1.02 -1.26 -4.97 120.64 116.10 1u97 n GLU 9 Ca -0.40 0.02 0.00 0.00 -0.02 0.00 0.00 57.16 56.77 1u97 n GLU 9 Cb 0.61 -1.06 0.00 0.00 -0.02 0.00 0.00 31.44 30.97 1u97 n GLU 9 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1u97 n GLN 10 N -2.65 0.00 0.18 3.49 10.64 -1.26 -4.91 117.38 122.87 1u97 n GLN 10 Ca -0.07 0.00 0.14 0.00 -1.83 0.00 0.00 57.00 55.23 1u97 n GLN 10 Cb 0.58 0.00 0.55 0.00 -0.86 0.00 0.00 30.24 30.50 1u97 n GLN 10 CO 0.00 0.00 0.00 1.05 -1.83 0.00 0.00 177.06 176.28 1u97 h GLU 11 N 0.00 0.00 -5.20 2.61 4.11 -2.02 -3.42 114.58 110.67 1u97 h GLU 11 Ca 0.00 0.00 -0.64 0.00 0.07 0.00 0.00 59.36 58.79 1u97 h GLU 11 Cb 0.00 0.00 -0.22 0.00 0.50 0.00 0.00 28.75 29.03 1u97 h GLU 11 CO 0.00 0.00 -0.66 1.21 0.07 0.00 0.00 179.01 179.63 1u97 s ASN 12 N -4.72 4.85 0.08 3.06 2.47 -1.26 -5.07 114.94 114.34 1u97 s ASN 12 Ca 0.03 -0.16 -0.31 0.00 0.42 0.00 0.00 52.86 52.84 1u97 s ASN 12 Cb 0.09 -1.81 -0.08 0.00 -1.45 0.00 0.00 41.25 38.00 1u97 s ASN 12 CO 0.45 0.11 1.59 -2.28 -3.72 0.00 0.00 177.10 173.24 1u97 s HIS 13 N 0.72 2.65 -0.01 0.43 5.65 -1.26 -4.87 115.29 118.60 1u97 s HIS 13 Ca -0.01 0.49 -0.07 0.00 0.25 0.00 0.00 55.06 55.72 1u97 s HIS 13 Cb -0.14 -3.90 0.00 0.00 -1.18 0.00 0.00 32.58 27.36 1u97 s HIS 13 CO 0.02 -3.50 0.13 0.00 -0.65 0.00 0.00 174.74 170.75 1u97 s ALA 14 N 2.23 -0.32 0.20 1.58 0.00 -1.26 -5.12 121.76 119.07 1u97 s ALA 14 Ca 0.71 -0.04 0.00 0.00 0.00 0.00 0.00 51.96 52.63 1u97 s ALA 14 Cb -0.39 0.04 0.00 0.00 0.00 0.00 0.00 23.12 22.77 1u97 s ALA 14 CO 0.31 -0.18 0.00 0.39 0.00 0.00 0.00 175.76 176.28 1u97 n GLU 15 N 1.77 -1.76 -4.09 0.00 4.71 -1.26 -4.78 120.64 115.23 1u97 n GLU 15 Ca -0.21 1.16 -0.32 0.00 -0.01 0.00 0.00 57.16 57.78 1u97 n GLU 15 Cb 0.56 -2.15 -0.16 0.00 -1.01 0.00 0.00 31.44 28.69 1u97 n GLU 15 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1u97 s GLU 17 N 1.30 3.10 -0.01 0.00 0.41 -1.26 -5.00 118.70 117.24 1u97 s GLU 17 Ca 0.03 1.22 -0.23 0.00 -0.41 0.00 0.00 54.97 55.58 1u97 s GLU 17 Cb -0.14 -2.00 -0.14 0.00 -1.78 0.00 0.00 34.13 30.07 1u97 s GLU 17 CO -0.11 -0.99 1.02 -0.44 -0.49 0.00 0.00 175.26 174.25 1u97 h ASP 18 N 0.14 -0.49 -3.66 -0.19 5.19 -2.03 -3.45 116.42 111.93 1u97 h ASP 18 Ca -0.46 -0.10 -0.33 0.00 -0.62 0.00 0.00 57.03 55.52 1u97 h ASP 18 Cb 1.23 0.13 -0.31 0.00 0.18 0.00 0.00 39.33 40.55 1u97 h ASP 18 CO 0.56 -0.08 -0.75 -0.75 -3.12 0.00 0.00 179.24 175.10 1u97 s LYS 19 N -4.22 0.39 0.22 3.56 2.20 -1.26 -5.14 119.74 115.49 1u97 s LYS 19 Ca -0.13 -0.05 -0.30 0.00 -0.36 0.00 0.00 55.97 55.13 1u97 s LYS 19 Cb 0.01 -0.45 -0.09 0.00 -1.51 0.00 0.00 37.83 35.79 1u97 s LYS 19 CO 0.43 -0.03 1.34 -1.25 -0.36 0.00 0.00 175.35 175.48 1u97 s PRO 20 N 0.50 4.36 -0.31 4.03 0.04 -1.26 -4.18 135.00 138.18 1u97 s PRO 20 Ca -0.05 2.12 -0.11 0.00 0.04 0.00 0.00 61.00 62.99 1u97 s PRO 20 Cb -0.08 -3.17 0.01 0.00 0.04 0.00 0.00 34.50 31.30 1u97 s PRO 20 CO -0.01 -0.28 0.41 1.17 0.04 0.00 0.00 177.00 178.33 1u97 n LYS 21 N 2.47 -1.82 0.01 4.56 4.81 -1.26 -5.01 118.16 121.92 1u97 n LYS 21 Ca 0.06 1.73 -0.00 0.00 -0.87 0.00 0.00 58.31 59.23 1u97 n LYS 21 Cb 0.42 -4.56 -0.00 0.00 0.02 0.00 0.00 35.03 30.91 1u97 n LYS 21 CO 0.00 0.00 0.00 -1.00 1.17 0.00 0.00 177.40 177.57 1u97 h PRO 22 N 1.53 -0.02 -1.75 1.64 0.13 -2.05 -3.46 132.00 128.01 1u97 h PRO 22 Ca 0.00 0.00 -0.40 0.00 -0.87 0.00 0.00 66.00 64.73 1u97 h PRO 22 Cb 0.68 0.01 -0.11 0.00 0.13 0.00 0.00 31.00 31.71 1u97 h PRO 22 CO 0.14 -0.01 -0.41 0.00 -0.23 0.00 0.00 178.00 177.49 1u97 n VAL 25 N -0.40 0.00 -3.30 0.00 0.24 -1.26 -4.80 118.33 108.81 1u97 n VAL 25 Ca 0.01 0.00 -0.08 0.00 -2.04 0.00 0.00 64.34 62.23 1u97 n VAL 25 Cb 0.63 0.00 -0.06 0.00 -1.47 0.00 0.00 33.84 32.95 1u97 n VAL 25 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1u97 h LYS 27 N 8.15 0.31 -0.87 0.00 3.64 -2.02 -3.21 116.57 122.57 1u97 h LYS 27 Ca -0.09 -0.14 0.15 0.00 -1.27 0.00 0.00 60.65 59.29 1u97 h LYS 27 Cb 1.13 -0.00 -0.07 0.00 -0.41 0.00 0.00 32.23 32.87 1u97 h LYS 27 CO 0.26 0.66 0.57 -1.35 -2.27 0.00 0.00 179.45 177.31 1u97 h PRO 28 N -0.04 0.61 -1.00 1.90 0.11 -2.00 -0.96 132.00 130.61 1u97 h PRO 28 Ca 0.03 -0.04 0.01 0.00 0.11 0.00 0.00 66.00 66.11 1u97 h PRO 28 Cb 0.58 -0.14 -0.05 0.00 0.11 0.00 0.00 31.00 31.50 1u97 h PRO 28 CO 0.02 0.40 0.66 1.49 -0.21 0.00 0.00 178.00 180.37 1u97 h GLU 29 N 0.63 1.31 -0.36 1.05 4.57 -1.99 -1.65 114.58 118.14 1u97 h GLU 29 Ca 0.44 -0.08 -0.06 0.00 -1.18 0.00 0.00 59.36 58.48 1u97 h GLU 29 Cb 0.78 -0.30 -0.02 0.00 -0.16 0.00 0.00 28.75 29.06 1u97 h GLU 29 CO -0.19 0.87 -0.03 -0.22 -1.18 0.00 0.00 179.01 178.25 1u97 h LYS 30 N 1.35 0.58 0.46 1.92 3.11 -1.24 -1.29 116.57 121.46 1u97 h LYS 30 Ca 0.37 -0.14 -0.02 0.00 -2.81 0.00 0.00 60.65 58.05 1u97 h LYS 30 Cb -0.14 -0.08 0.00 0.00 -1.00 0.00 0.00 32.23 31.02 1u97 h LYS 30 CO -0.08 0.63 -0.22 1.49 -2.81 0.00 0.00 179.45 178.46 1u97 h GLU 31 N 0.55 -0.59 -0.69 1.90 4.81 -1.12 -1.97 114.58 117.48 1u97 h GLU 31 Ca 0.11 0.04 0.04 0.00 -0.13 0.00 0.00 59.36 59.43 1u97 h GLU 31 Cb 0.40 0.13 -0.04 0.00 0.63 0.00 0.00 28.75 29.87 1u97 h GLU 31 CO 0.02 -0.28 0.45 0.93 -0.73 0.00 0.00 179.01 179.39 1u97 h GLU 32 N -0.92 0.76 0.33 1.92 5.08 -1.32 -1.50 114.58 118.94 1u97 h GLU 32 Ca -0.06 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.24 1u97 h GLU 32 Cb 0.58 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.66 1u97 h GLU 32 CO 0.10 0.50 -0.16 -0.09 -1.00 0.00 0.00 179.01 178.37 1u97 h ARG 33 N 0.78 -0.43 -0.60 2.33 2.43 -1.19 -1.97 114.38 115.73 1u97 h ARG 33 Ca 0.28 0.03 0.04 0.00 -0.81 0.00 0.00 59.98 59.52 1u97 h ARG 33 Cb 0.13 0.10 -0.03 0.00 -0.42 0.00 0.00 29.97 29.74 1u97 h ARG 33 CO -0.08 -0.20 0.40 0.22 -1.51 0.00 0.00 179.97 178.80 1u97 h ASP 34 N -0.58 0.60 0.18 -3.80 1.82 -1.01 -1.78 116.42 111.85 1u97 h ASP 34 Ca -0.05 -0.01 -0.01 0.00 -0.39 0.00 0.00 57.03 56.58 1u97 h ASP 34 Cb 0.43 -0.14 0.00 0.00 0.68 0.00 0.00 39.33 40.30 1u97 h ASP 34 CO 0.07 0.41 -0.09 0.74 -1.61 0.00 0.00 179.24 178.77 1u97 h THR 35 N 0.69 0.88 -1.00 2.25 2.02 -1.07 0.16 112.91 116.86 1u97 h THR 35 Ca 0.24 -0.28 0.01 0.00 0.77 0.00 0.00 66.41 67.16 1u97 h THR 35 Cb 0.11 1.05 -0.05 0.00 -1.74 0.00 0.00 68.15 67.52 1u97 h THR 35 CO -0.07 0.07 0.66 0.00 0.37 0.00 0.00 175.52 176.55 1u97 h ILE 37 N 1.34 1.18 0.03 0.00 2.04 -1.17 -1.24 117.51 119.69 1u97 h ILE 37 Ca 0.37 -1.43 -0.00 0.00 1.00 0.00 0.00 64.86 64.80 1u97 h ILE 37 Cb -0.14 1.79 0.00 0.00 -0.74 0.00 0.00 36.82 37.73 1u97 h ILE 37 CO -0.08 0.39 -0.02 0.25 0.00 0.00 0.00 178.15 178.69 1u97 h LEU 38 N 0.00 -0.04 0.52 1.44 7.12 0.15 -0.15 115.31 124.35 1u97 h LEU 38 Ca -0.00 -0.44 -0.03 0.00 0.13 0.00 0.00 57.88 57.54 1u97 h LEU 38 Cb 0.76 0.01 0.01 0.00 -0.53 0.00 0.00 40.66 40.91 1u97 h LEU 38 CO 0.05 0.43 -0.25 -0.26 -0.13 0.00 0.00 178.44 178.28 1u97 h PHE 39 N -0.51 -0.64 0.70 1.25 0.04 -1.33 -3.37 116.94 113.08 1u97 h PHE 39 Ca -0.00 -0.02 -0.03 0.00 2.80 0.00 0.00 57.97 60.72 1u97 h PHE 39 Cb 0.47 0.21 0.01 0.00 2.20 0.00 0.00 35.95 38.84 1u97 h PHE 39 CO 0.08 -0.40 -0.34 -0.91 -0.60 0.00 0.00 178.31 176.15 1u97 h ASN 40 N -1.13 -0.80 -4.40 2.17 2.35 -1.38 -3.50 115.58 108.90 1u97 h ASN 40 Ca -0.07 0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.69 1u97 h ASN 40 Cb 0.53 0.21 0.00 0.00 0.05 0.00 0.00 38.32 39.11 1u97 h ASN 40 CO 0.12 -0.43 0.00 0.61 -1.65 0.00 0.00 177.43 176.08 1u97 n GLY 41 N -0.71 1.51 3.77 2.83 0.00 -0.07 -5.05 105.19 107.47 1u97 n GLY 41 Ca -0.12 -2.05 -0.38 0.00 0.00 0.00 0.00 46.02 43.47 1u97 n GLY 41 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1u97 s GLN 42 N -1.27 4.25 -0.20 1.61 -1.52 -1.26 -4.53 119.66 116.75 1u97 s GLN 42 Ca 0.00 1.72 -0.10 0.00 -1.95 0.00 0.00 55.36 55.04 1u97 s GLN 42 Cb 0.00 -2.77 0.04 0.00 -0.22 0.00 0.00 33.01 30.05 1u97 s GLN 42 CO 0.00 -0.11 0.20 -0.25 -0.25 0.00 0.00 175.29 174.87 1u97 n ASP 43 N 0.33 -2.08 -3.59 5.90 8.00 -1.26 -5.08 116.55 118.78 1u97 n ASP 43 Ca 0.03 1.34 -0.14 0.00 0.71 0.00 0.00 54.79 56.74 1u97 n ASP 43 Cb 0.47 -5.09 -0.06 0.00 -0.02 0.00 0.00 41.12 36.41 1u97 n ASP 43 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 1u97 s SER 44 N -0.82 -0.60 0.00 -2.24 0.15 -1.26 -5.01 113.70 103.91 1u97 s SER 44 Ca -0.23 0.97 0.22 0.00 0.70 0.00 0.00 55.95 57.61 1u97 s SER 44 Cb 0.02 0.91 1.29 0.00 -1.71 0.00 0.00 66.02 66.53 1u97 s SER 44 CO 0.76 -0.34 1.83 -0.62 1.20 0.00 0.00 173.24 176.07 1u97 n GLU 45 N 1.81 1.02 -0.00 5.44 1.02 -1.26 -2.71 120.64 125.95 1u97 n GLU 45 Ca -0.14 -0.03 0.10 0.00 -0.02 0.00 0.00 57.16 57.06 1u97 n GLU 45 Cb 0.56 -1.34 -0.14 0.00 -0.02 0.00 0.00 31.44 30.50 1u97 n GLU 45 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1u97 n LYS 46 N -0.80 0.40 0.00 3.49 5.02 -1.26 -4.34 118.16 120.67 1u97 n LYS 46 Ca 0.16 -0.10 0.02 0.00 -2.02 0.00 0.00 58.31 56.37 1u97 n LYS 46 Cb 0.08 -1.49 0.01 0.00 -0.02 0.00 0.00 35.03 33.61 1u97 n LYS 46 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1u97 h LYS 48 N 0.57 0.00 -0.13 0.00 2.10 -1.70 -2.92 116.57 114.50 1u97 h LYS 48 Ca 0.00 0.00 -0.03 0.00 -2.00 0.00 0.00 60.65 58.62 1u97 h LYS 48 Cb 0.14 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.46 1u97 h LYS 48 CO 0.00 0.00 -0.03 0.93 -2.00 0.00 0.00 179.45 178.35 1u97 h GLU 49 N 0.00 0.24 -0.11 0.07 4.39 -1.85 -1.82 114.58 115.50 1u97 h GLU 49 Ca 0.00 -0.09 -0.10 0.00 0.34 0.00 0.00 59.36 59.51 1u97 h GLU 49 Cb 0.32 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.94 1u97 h GLU 49 CO 0.00 0.53 -0.37 0.74 -1.16 0.00 0.00 179.01 178.75 1u97 h PHE 50 N -0.07 0.27 0.19 4.33 0.04 -1.85 -1.25 116.94 118.60 1u97 h PHE 50 Ca 0.03 -0.07 -0.01 0.00 2.80 0.00 0.00 57.97 60.73 1u97 h PHE 50 Cb 0.44 -0.06 0.00 0.00 2.20 0.00 0.00 35.95 38.53 1u97 h PHE 50 CO 0.05 0.58 -0.09 0.82 -0.60 0.00 0.00 178.31 179.07 1u97 h ILE 51 N 0.20 0.90 -0.51 -0.55 2.04 -1.46 -1.60 117.51 116.53 1u97 h ILE 51 Ca 0.02 -0.77 -0.08 0.00 1.00 0.00 0.00 64.86 65.03 1u97 h ILE 51 Cb 0.76 1.34 -0.02 0.00 -0.74 0.00 0.00 36.82 38.16 1u97 h ILE 51 CO 0.06 0.17 0.01 -0.33 0.00 0.00 0.00 178.15 178.05 1u97 h GLU 52 N -0.66 0.85 -0.18 2.37 4.39 -1.34 -0.88 114.58 119.14 1u97 h GLU 52 Ca -0.03 -0.24 -0.01 0.00 0.34 0.00 0.00 59.36 59.43 1u97 h GLU 52 Cb 0.47 -0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 29.02 1u97 h GLU 52 CO 0.04 0.85 0.08 -0.22 -1.16 0.00 0.00 179.01 178.61 1u97 h LYS 53 N 0.80 0.26 -0.13 2.33 1.63 -1.24 -1.13 116.57 119.08 1u97 h LYS 53 Ca 0.15 -0.04 -0.10 0.00 -0.85 0.00 0.00 60.65 59.81 1u97 h LYS 53 Cb 0.47 -0.04 -0.01 0.00 -0.60 0.00 0.00 32.23 32.04 1u97 h LYS 53 CO 0.02 0.30 -0.38 -0.92 -3.45 0.00 0.00 179.45 175.02 1u97 h TYR 54 N 0.15 0.32 -0.09 1.91 3.20 -1.18 -1.68 116.97 119.60 1u97 h TYR 54 Ca 0.06 -0.08 -0.02 0.00 3.14 0.00 0.00 58.73 61.83 1u97 h TYR 54 Cb 0.13 -0.07 -0.00 0.00 1.54 0.00 0.00 36.73 38.33 1u97 h TYR 54 CO -0.02 0.62 -0.01 -0.22 -1.64 0.00 0.00 178.16 176.89 1u97 h LYS 55 N 0.23 0.16 -0.46 1.82 3.64 -0.90 -1.62 116.57 119.44 1u97 h LYS 55 Ca 0.02 -0.05 -0.13 0.00 -1.27 0.00 0.00 60.65 59.22 1u97 h LYS 55 Cb 0.79 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.58 1u97 h LYS 55 CO 0.06 0.44 -0.24 1.05 -2.27 0.00 0.00 179.45 178.49 1u97 h GLU 56 N -0.14 0.97 -0.81 1.90 4.11 -1.19 -0.93 114.58 118.49 1u97 h GLU 56 Ca 0.02 -0.43 -0.00 0.00 0.07 0.00 0.00 59.36 59.02 1u97 h GLU 56 Cb 0.38 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.56 1u97 h GLU 56 CO 0.01 1.10 0.50 0.00 0.07 0.00 0.00 179.01 180.69 1u97 h MET 58 N 1.10 0.53 0.00 0.00 1.85 -1.20 -3.09 114.93 114.12 1u97 h MET 58 Ca 0.29 -0.36 -0.01 0.00 -0.61 0.00 0.00 59.70 59.01 1u97 h MET 58 Cb -0.06 0.05 -0.00 0.00 0.43 0.00 0.00 31.60 32.01 1u97 h MET 58 CO -0.06 0.97 -0.06 -0.22 -0.40 0.00 0.00 176.91 177.15 1u97 h LYS 59 N 0.16 0.00 -0.28 0.39 3.64 -0.92 0.26 116.57 119.83 1u97 h LYS 59 Ca -0.00 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1u97 h LYS 59 Cb 0.97 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.78 1u97 h LYS 59 CO 0.08 0.06 0.17 0.78 -2.27 0.00 0.00 179.45 178.27 1u97 h GLY 60 N 0.22 0.40 0.00 5.01 0.00 -1.01 -3.38 103.07 104.31 1u97 h GLY 60 Ca -0.00 -0.16 0.00 0.00 0.00 0.00 0.00 47.33 47.17 1u97 h GLY 60 CO 0.01 0.16 -0.45 -1.72 0.00 0.00 0.00 176.54 174.54 1u97 n TYR 61 N -4.87 0.40 0.00 5.60 4.02 -0.99 -5.00 117.16 116.32 1u97 n TYR 61 Ca -0.02 0.17 0.00 0.00 -0.01 0.00 0.00 57.90 58.04 1u97 n TYR 61 Cb 0.05 -0.50 0.00 0.00 -0.02 0.00 0.00 39.34 38.87 1u97 n TYR 61 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1u97 n GLY 62 N 1.60 0.81 3.01 2.72 0.00 0.89 -5.08 105.19 109.14 1u97 n GLY 62 Ca -0.06 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.84 1u97 n GLY 62 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1u97 s PHE 63 N 0.45 -0.63 0.00 1.61 -0.71 -1.22 -4.71 117.98 112.76 1u97 s PHE 63 Ca 0.00 0.98 0.00 0.00 -1.04 0.00 0.00 56.93 56.87 1u97 s PHE 63 Cb 0.00 0.03 0.00 0.00 -1.21 0.00 0.00 43.02 41.84 1u97 s PHE 63 CO 0.00 -0.54 0.00 0.39 -1.34 0.00 0.00 175.22 173.73 1u97 n GLU 64 N 5.36 0.00 -4.34 1.99 1.02 -1.26 -4.12 120.64 119.29 1u97 n GLU 64 Ca -0.06 0.00 -0.21 0.00 -0.02 0.00 0.00 57.16 56.87 1u97 n GLU 64 Cb 0.50 0.00 -0.16 0.00 -0.02 0.00 0.00 31.44 31.76 1u97 n GLU 64 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1u97 s VAL 65 N 0.00 0.75 0.19 2.62 1.01 -1.26 -3.70 120.40 120.01 1u97 s VAL 65 Ca 0.00 -0.29 -0.30 0.00 0.00 0.00 0.00 61.98 61.39 1u97 s VAL 65 Cb 0.00 -0.71 -0.08 0.00 0.00 0.00 0.00 36.38 35.59 1u97 s VAL 65 CO 0.00 0.26 1.28 -2.16 0.00 0.00 0.00 175.10 174.48 1u97 s PRO 66 N 0.57 4.41 0.00 2.72 0.04 -1.26 -4.91 135.00 136.57 1u97 s PRO 66 Ca -0.09 1.99 0.00 0.00 0.04 0.00 0.00 61.00 62.94 1u97 s PRO 66 Cb -0.12 -3.22 0.00 0.00 0.04 0.00 0.00 34.50 31.20 1u97 s PRO 66 CO 0.01 -0.22 0.00 0.43 0.04 0.00 0.00 177.00 177.26 1u97 n SER 67 N 2.71 4.05 0.08 6.66 7.64 -1.26 -4.97 113.62 128.53 1u97 n SER 67 Ca 0.06 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.94 1u97 n SER 67 Cb 0.43 0.73 0.00 0.00 -1.01 0.00 0.00 64.21 64.36 1u97 n SER 67 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1u97 n ALA 68 N -1.32 1.66 0.69 -0.43 0.00 -1.26 -5.34 120.51 114.52 1u97 n ALA 68 Ca 0.00 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.52 1u97 n ALA 68 Cb 0.08 0.00 0.07 0.00 0.00 0.00 0.00 19.45 19.60 1u97 n ALA 68 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59