#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 0.00 -4.67 2.03 5.66 -1.26 -5.11 114.28 110.93 1u97 n THR 2 Ca 0.00 -0.04 -0.31 0.00 -3.05 0.00 0.00 64.05 60.65 1u97 n THR 2 Cb 0.00 0.42 -0.06 0.00 -1.55 0.00 0.00 70.33 69.14 1u97 n THR 2 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 1u97 n GLU 3 N -0.29 0.82 -2.68 1.09 1.02 -1.26 -4.99 120.64 114.35 1u97 n GLU 3 Ca 0.00 -3.51 -0.03 0.00 -0.02 0.00 0.00 57.16 53.59 1u97 n GLU 3 Cb 0.00 0.91 -0.03 0.00 -0.02 0.00 0.00 31.44 32.30 1u97 n GLU 3 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 1u97 n THR 4 N -1.23-11.90 -2.06 2.62 -1.04 -1.26 -5.00 114.28 94.40 1u97 n THR 4 Ca -0.19 2.30 0.01 0.00 -2.04 0.00 0.00 64.05 64.13 1u97 n THR 4 Cb 0.61 -6.45 0.01 0.00 -1.82 0.00 0.00 70.33 62.68 1u97 n THR 4 CO 0.00 0.00 0.00 -0.90 -0.64 0.00 0.00 175.07 173.53 1u97 n ASP 5 N 1.39 0.21 -4.78 8.00 5.75 -1.26 -4.88 116.55 120.97 1u97 n ASP 5 Ca -0.25 -2.02 -0.33 0.00 -0.01 0.00 0.00 54.79 52.17 1u97 n ASP 5 Cb 0.40 -0.22 0.03 0.00 -1.03 0.00 0.00 41.12 40.30 1u97 n ASP 5 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 1u97 s LYS 6 N -0.06 3.03 0.65 0.11 1.02 -1.26 -5.04 119.74 118.19 1u97 s LYS 6 Ca 0.06 1.36 -0.11 0.00 0.02 0.00 0.00 55.97 57.30 1u97 s LYS 6 Cb 0.07 -1.98 0.16 0.00 -0.52 0.00 0.00 37.83 35.56 1u97 s LYS 6 CO -0.03 -1.06 0.58 1.63 -0.92 0.00 0.00 175.35 175.55 1u97 n LYS 7 N -2.16 -2.12 -2.61 1.68 4.76 -1.26 -4.81 118.16 111.65 1u97 n LYS 7 Ca 0.10 -0.93 -0.06 0.00 -2.87 0.00 0.00 58.31 54.56 1u97 n LYS 7 Cb 0.52 -0.86 -0.05 0.00 -1.84 0.00 0.00 35.03 32.80 1u97 n LYS 7 CO 0.00 0.00 0.00 0.94 -1.37 0.00 0.00 177.40 176.97 1u97 n GLN 8 N -3.25 -4.62 -5.14 1.97 7.27 -1.26 -5.03 117.38 107.32 1u97 n GLN 8 Ca 0.08 3.47 -0.32 0.00 0.07 0.00 0.00 57.00 60.30 1u97 n GLN 8 Cb 0.31 -5.07 -0.15 0.00 2.41 0.00 0.00 30.24 27.74 1u97 n GLN 8 CO 0.00 0.00 0.00 -2.00 0.07 0.00 0.00 177.06 175.13 1u97 s GLU 9 N -0.68 2.57 0.49 3.69 2.12 -1.26 -5.13 118.70 120.50 1u97 s GLU 9 Ca -0.29 -0.84 -0.06 0.00 0.36 0.00 0.00 54.97 54.14 1u97 s GLU 9 Cb 0.02 -2.24 -0.04 0.00 0.26 0.00 0.00 34.13 32.13 1u97 s GLU 9 CO 0.80 0.44 0.81 1.14 -0.54 0.00 0.00 175.26 177.91 1u97 s GLN 10 N -0.30 3.57 0.44 4.30 0.00 -1.26 -4.92 119.66 121.49 1u97 s GLN 10 Ca 0.01 0.28 0.00 0.00 -0.00 0.00 0.00 55.36 55.65 1u97 s GLN 10 Cb -0.13 -2.35 0.00 0.00 0.00 0.00 0.00 33.01 30.54 1u97 s GLN 10 CO 0.03 -0.23 0.00 -1.91 0.00 0.00 0.00 175.29 173.18 1u97 n GLU 11 N -2.24 -3.49 -2.75 9.60 2.13 -1.26 -4.99 120.64 117.65 1u97 n GLU 11 Ca 0.01 2.64 -0.24 0.00 0.66 0.00 0.00 57.16 60.24 1u97 n GLU 11 Cb 0.55 -3.11 0.02 0.00 0.27 0.00 0.00 31.44 29.17 1u97 n GLU 11 CO 0.00 0.00 0.00 -0.80 -0.41 0.00 0.00 177.13 175.92 1u97 s ASN 12 N -3.91 5.68 -0.11 4.31 -0.87 -1.26 -4.85 114.94 113.94 1u97 s ASN 12 Ca 0.00 0.39 -0.08 0.00 -1.57 0.00 0.00 52.86 51.60 1u97 s ASN 12 Cb 0.00 -1.51 0.03 0.00 -0.02 0.00 0.00 41.25 39.75 1u97 s ASN 12 CO 0.00 -0.87 0.16 1.41 -2.57 0.00 0.00 177.10 175.23 1u97 n HIS 13 N -2.28 -4.56 -2.59 2.20 8.25 -1.26 -5.04 115.22 109.94 1u97 n HIS 13 Ca 0.03 2.68 -0.22 0.00 -0.26 0.00 0.00 57.72 59.96 1u97 n HIS 13 Cb 0.58 -3.87 0.11 0.00 1.12 0.00 0.00 29.99 27.93 1u97 n HIS 13 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1u97 n ALA 14 N 1.73 0.19 -1.99 -1.41 0.00 -1.26 -5.08 120.51 112.68 1u97 n ALA 14 Ca -0.28 -1.83 -0.37 0.00 0.00 0.00 0.00 53.44 50.97 1u97 n ALA 14 Cb 0.43 0.30 -0.06 0.00 0.00 0.00 0.00 19.45 20.12 1u97 n ALA 14 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1u97 s GLU 15 N -4.93 4.38 0.00 0.00 2.02 -1.26 -4.94 118.70 113.97 1u97 s GLU 15 Ca 0.62 1.03 0.00 0.00 0.02 0.00 0.00 54.97 56.64 1u97 s GLU 15 Cb -0.04 -2.88 0.00 0.00 0.10 0.00 0.00 34.13 31.31 1u97 s GLU 15 CO 0.41 0.37 0.26 0.00 0.02 0.00 0.00 175.26 176.32 1u97 s GLU 17 N 0.00 3.78 -0.14 0.00 2.12 -1.26 -4.66 118.70 118.54 1u97 s GLU 17 Ca 0.00 0.30 -0.10 0.00 0.36 0.00 0.00 54.97 55.53 1u97 s GLU 17 Cb 0.00 -3.79 0.04 0.00 0.26 0.00 0.00 34.13 30.64 1u97 s GLU 17 CO 0.00 -0.78 0.20 -3.47 -0.54 0.00 0.00 175.26 170.67 1u97 n ASP 18 N 6.27 -2.34 -4.64 -1.70 2.03 -1.26 -5.01 116.55 109.91 1u97 n ASP 18 Ca 0.02 1.47 -0.35 0.00 0.52 0.00 0.00 54.79 56.45 1u97 n ASP 18 Cb 0.48 -5.26 -0.10 0.00 -0.72 0.00 0.00 41.12 35.52 1u97 n ASP 18 CO 0.00 0.00 0.00 -0.75 -1.92 0.00 0.00 177.20 174.53 1u97 s LYS 19 N -0.66 3.52 0.33 -0.67 2.20 -1.26 -5.09 119.74 118.10 1u97 s LYS 19 Ca -0.23 -0.39 -0.28 0.00 -0.36 0.00 0.00 55.97 54.71 1u97 s LYS 19 Cb 0.02 -2.99 -0.10 0.00 -1.51 0.00 0.00 37.83 33.25 1u97 s LYS 19 CO 0.62 0.46 1.20 -1.25 -0.36 0.00 0.00 175.35 176.02 1u97 s PRO 20 N -0.19 4.36 0.04 4.03 0.04 -1.26 -5.06 135.00 136.97 1u97 s PRO 20 Ca 0.06 1.98 0.03 0.00 0.04 0.00 0.00 61.00 63.11 1u97 s PRO 20 Cb -0.12 -3.00 -0.02 0.00 0.04 0.00 0.00 34.50 31.39 1u97 s PRO 20 CO 0.02 -0.10 -0.10 0.15 0.04 0.00 0.00 177.00 177.01 1u97 s LYS 21 N -1.82 0.66 -0.59 4.56 1.02 -1.26 -5.11 119.74 117.20 1u97 s LYS 21 Ca 0.50 -0.71 -0.28 0.00 0.02 0.00 0.00 55.97 55.50 1u97 s LYS 21 Cb -0.35 -0.56 0.02 0.00 -0.52 0.00 0.00 37.83 36.42 1u97 s LYS 21 CO 0.45 0.13 1.40 -1.25 -0.92 0.00 0.00 175.35 175.15 1u97 s PRO 22 N -1.30 3.27 0.00 -1.68 0.04 -1.26 -4.55 135.00 129.53 1u97 s PRO 22 Ca -0.04 0.34 0.00 0.00 0.04 0.00 0.00 61.00 61.34 1u97 s PRO 22 Cb -0.08 -4.14 0.00 0.00 0.04 0.00 0.00 34.50 30.32 1u97 s PRO 22 CO 0.01 -1.99 0.00 0.00 0.04 0.00 0.00 177.00 175.06 1u97 n VAL 25 N -2.90 0.00 -2.91 0.00 0.31 -1.26 -4.17 118.33 107.41 1u97 n VAL 25 Ca 0.16 0.00 -0.06 0.00 -0.01 0.00 0.00 64.34 64.43 1u97 n VAL 25 Cb 0.57 -0.10 0.01 0.00 -0.91 0.00 0.00 33.84 33.41 1u97 n VAL 25 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1u97 h LYS 27 N 2.80 0.00 -0.14 0.00 6.56 -1.86 -3.24 116.57 120.69 1u97 h LYS 27 Ca -0.05 0.00 -0.15 0.00 -1.06 0.00 0.00 60.65 59.39 1u97 h LYS 27 Cb 0.55 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.22 1u97 h LYS 27 CO 0.12 0.80 -0.48 -1.00 -2.06 0.00 0.00 179.45 176.83 1u97 h PRO 28 N -1.00 0.58 -0.58 3.15 0.13 -1.95 -3.17 132.00 129.16 1u97 h PRO 28 Ca -0.09 -0.43 0.08 0.00 -0.87 0.00 0.00 66.00 64.69 1u97 h PRO 28 Cb 0.91 0.08 -0.03 0.00 0.13 0.00 0.00 31.00 32.08 1u97 h PRO 28 CO -0.05 1.05 0.38 0.93 -0.23 0.00 0.00 178.00 180.08 1u97 h GLU 29 N 0.22 0.45 -0.28 0.86 3.07 -1.96 -1.34 114.58 115.60 1u97 h GLU 29 Ca -0.02 -0.03 -0.01 0.00 -0.50 0.00 0.00 59.36 58.81 1u97 h GLU 29 Cb 1.10 -0.10 -0.01 0.00 -0.84 0.00 0.00 28.75 28.90 1u97 h GLU 29 CO 0.10 0.30 0.15 -0.22 -1.40 0.00 0.00 179.01 177.94 1u97 h LYS 30 N 0.47 0.40 -0.20 2.33 1.63 -1.57 -1.94 116.57 117.68 1u97 h LYS 30 Ca 0.26 -0.05 -0.06 0.00 -0.85 0.00 0.00 60.65 59.95 1u97 h LYS 30 Cb 0.40 -0.08 -0.01 0.00 -0.60 0.00 0.00 32.23 31.95 1u97 h LYS 30 CO -0.07 0.36 -0.14 0.93 -3.45 0.00 0.00 179.45 177.08 1u97 h GLU 31 N 0.33 0.33 0.60 1.90 4.39 -1.30 -1.76 114.58 119.08 1u97 h GLU 31 Ca 0.10 -0.09 -0.03 0.00 0.34 0.00 0.00 59.36 59.68 1u97 h GLU 31 Cb 0.08 -0.04 0.01 0.00 -0.10 0.00 0.00 28.75 28.70 1u97 h GLU 31 CO -0.01 0.48 -0.29 0.93 -1.16 0.00 0.00 179.01 178.95 1u97 h GLU 32 N 0.31 -0.77 -0.99 2.33 4.39 -0.84 -0.78 114.58 118.23 1u97 h GLU 32 Ca 0.06 0.05 0.03 0.00 0.34 0.00 0.00 59.36 59.84 1u97 h GLU 32 Cb 0.44 0.18 -0.05 0.00 -0.10 0.00 0.00 28.75 29.21 1u97 h GLU 32 CO 0.03 -0.48 0.65 -0.09 -1.16 0.00 0.00 179.01 177.96 1u97 h ARG 33 N -0.93 1.25 -0.83 2.33 2.43 -1.29 -1.74 114.38 115.60 1u97 h ARG 33 Ca -0.08 -0.08 -0.01 0.00 -0.81 0.00 0.00 59.98 59.00 1u97 h ARG 33 Cb 0.66 -0.28 -0.04 0.00 -0.42 0.00 0.00 29.97 29.89 1u97 h ARG 33 CO 0.13 0.83 0.47 0.22 -1.51 0.00 0.00 179.97 180.11 1u97 h ASP 34 N 1.29 1.02 -0.36 -3.80 1.82 -1.21 -1.84 116.42 113.33 1u97 h ASP 34 Ca 0.38 -0.09 -0.04 0.00 -0.39 0.00 0.00 57.03 56.89 1u97 h ASP 34 Cb -0.06 -0.26 -0.01 0.00 0.68 0.00 0.00 39.33 39.67 1u97 h ASP 34 CO -0.10 0.81 0.08 0.74 -1.61 0.00 0.00 179.24 179.16 1u97 h THR 35 N 1.15 1.23 -0.43 2.25 2.02 -0.41 0.49 112.91 119.21 1u97 h THR 35 Ca 0.29 -0.79 0.02 0.00 0.77 0.00 0.00 66.41 66.71 1u97 h THR 35 Cb 0.00 1.05 -0.03 0.00 -1.74 0.00 0.00 68.15 67.43 1u97 h THR 35 CO -0.05 0.27 0.24 0.00 0.37 0.00 0.00 175.52 176.35 1u97 h ILE 37 N 0.48 0.72 -0.22 0.00 2.04 -1.23 -0.92 117.51 118.37 1u97 h ILE 37 Ca 0.18 -1.29 -0.11 0.00 1.00 0.00 0.00 64.86 64.64 1u97 h ILE 37 Cb 0.04 1.82 -0.00 0.00 -0.74 0.00 0.00 36.82 37.94 1u97 h ILE 37 CO -0.10 0.29 -0.28 0.25 0.00 0.00 0.00 178.15 178.31 1u97 h LEU 38 N 0.00 0.63 0.00 1.44 5.85 0.08 -1.85 115.31 121.47 1u97 h LEU 38 Ca -0.00 -0.50 -0.00 0.00 0.84 0.00 0.00 57.88 58.22 1u97 h LEU 38 Cb 0.80 -0.18 -0.00 0.00 0.37 0.00 0.00 40.66 41.65 1u97 h LEU 38 CO 0.04 1.01 -0.20 -0.26 -0.34 0.00 0.00 178.44 178.69 1u97 h PHE 39 N 0.28 0.00 0.69 1.25 0.04 -1.23 -3.41 116.94 114.56 1u97 h PHE 39 Ca 0.03 0.00 -0.03 0.00 2.80 0.00 0.00 57.97 60.76 1u97 h PHE 39 Cb 0.85 0.00 0.01 0.00 2.20 0.00 0.00 35.95 39.01 1u97 h PHE 39 CO 0.08 0.03 -0.33 -0.91 -0.60 0.00 0.00 178.31 176.58 1u97 h ASN 40 N -1.00 -0.79 -3.98 2.17 2.35 -1.34 -3.50 115.58 109.49 1u97 h ASN 40 Ca -0.00 0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.76 1u97 h ASN 40 Cb 0.21 0.20 0.00 0.00 0.05 0.00 0.00 38.32 38.79 1u97 h ASN 40 CO -0.00 -0.42 0.00 0.61 -1.65 0.00 0.00 177.43 175.97 1u97 n GLY 41 N -0.68 1.00 3.77 2.83 0.00 -0.69 -5.00 105.19 106.42 1u97 n GLY 41 Ca -0.12 -1.94 -0.40 0.00 0.00 0.00 0.00 46.02 43.56 1u97 n GLY 41 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1u97 n GLN 42 N -1.47 2.32 0.00 1.61 7.27 -1.26 -3.80 117.38 122.06 1u97 n GLN 42 Ca 0.00 0.82 0.00 0.00 0.07 0.00 0.00 57.00 57.89 1u97 n GLN 42 Cb 0.00 -2.65 0.00 0.00 2.41 0.00 0.00 30.24 30.00 1u97 n GLN 42 CO 0.00 0.00 0.00 -0.25 0.07 0.00 0.00 177.06 176.88 1u97 n ASP 43 N -0.14 0.00 -2.70 1.69 8.00 -1.26 -4.81 116.55 117.33 1u97 n ASP 43 Ca 0.05 0.00 -0.03 0.00 0.71 0.00 0.00 54.79 55.52 1u97 n ASP 43 Cb 0.41 0.00 -0.02 0.00 -0.02 0.00 0.00 41.12 41.49 1u97 n ASP 43 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 1u97 n SER 44 N 1.94 -4.15 -0.08 -2.24 2.88 -1.25 -4.88 113.62 105.84 1u97 n SER 44 Ca 0.00 1.33 0.15 0.00 -1.33 0.00 0.00 58.87 59.02 1u97 n SER 44 Cb 0.00 -4.98 0.70 0.00 -0.75 0.00 0.00 64.21 59.18 1u97 n SER 44 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1u97 n GLU 45 N 1.32 0.71 0.08 -1.46 4.71 -1.26 -3.65 120.64 121.10 1u97 n GLU 45 Ca -0.21 -0.17 -0.22 0.00 -0.01 0.00 0.00 57.16 56.55 1u97 n GLU 45 Cb 0.35 -1.50 -0.15 0.00 -1.01 0.00 0.00 31.44 29.14 1u97 n GLU 45 CO 0.00 0.00 0.00 0.87 0.09 0.00 0.00 177.13 178.09 1u97 h LYS 46 N 0.41 0.38 -2.88 3.49 1.57 -2.00 -3.40 116.57 114.14 1u97 h LYS 46 Ca 0.00 -0.64 -0.62 0.00 -1.87 0.00 0.00 60.65 57.52 1u97 h LYS 46 Cb 0.29 0.24 -0.42 0.00 0.08 0.00 0.00 32.23 32.42 1u97 h LYS 46 CO 0.00 1.31 -0.55 0.00 -0.57 0.00 0.00 179.45 179.63 1u97 n LYS 48 N 1.70 0.07 -0.16 0.00 5.02 -1.26 -4.08 118.16 119.44 1u97 n LYS 48 Ca 0.22 -0.03 -0.03 0.00 -2.02 0.00 0.00 58.31 56.45 1u97 n LYS 48 Cb 0.36 -1.50 0.07 0.00 -0.02 0.00 0.00 35.03 33.94 1u97 n LYS 48 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 1u97 h GLU 49 N 0.08 0.35 -0.05 1.97 5.08 -1.94 -0.71 114.58 119.36 1u97 h GLU 49 Ca 0.00 -0.02 -0.05 0.00 -1.00 0.00 0.00 59.36 58.29 1u97 h GLU 49 Cb 0.49 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.66 1u97 h GLU 49 CO 0.00 0.23 -0.22 0.74 -1.00 0.00 0.00 179.01 178.76 1u97 h PHE 50 N 0.36 0.09 0.35 4.33 0.04 -1.99 -0.72 116.94 119.40 1u97 h PHE 50 Ca 0.24 -0.01 -0.02 0.00 2.80 0.00 0.00 57.97 60.99 1u97 h PHE 50 Cb 0.26 -0.02 0.00 0.00 2.20 0.00 0.00 35.95 38.39 1u97 h PHE 50 CO -0.16 0.30 -0.17 0.82 -0.60 0.00 0.00 178.31 178.50 1u97 h ILE 51 N 0.08 0.57 0.00 -0.55 2.04 -1.39 -1.81 117.51 116.45 1u97 h ILE 51 Ca 0.01 -0.63 -0.05 0.00 1.00 0.00 0.00 64.86 65.20 1u97 h ILE 51 Cb 0.44 0.85 -0.01 0.00 -0.74 0.00 0.00 36.82 37.36 1u97 h ILE 51 CO 0.03 0.10 -0.22 1.05 0.00 0.00 0.00 178.15 179.11 1u97 h GLU 52 N -0.86 0.00 0.10 2.37 -0.00 -1.22 -1.26 114.58 113.71 1u97 h GLU 52 Ca -0.05 0.00 -0.00 0.00 -0.00 0.00 0.00 59.36 59.31 1u97 h GLU 52 Cb 0.53 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.28 1u97 h GLU 52 CO 0.08 0.22 -0.05 -0.22 -0.00 0.00 0.00 179.01 179.04 1u97 h LYS 53 N 0.00 -0.13 -0.09 1.06 3.64 -1.09 -1.89 116.57 118.07 1u97 h LYS 53 Ca -0.00 0.01 -0.07 0.00 -1.27 0.00 0.00 60.65 59.31 1u97 h LYS 53 Cb 0.49 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.33 1u97 h LYS 53 CO 0.03 0.29 -0.28 -0.92 -2.27 0.00 0.00 179.45 176.30 1u97 h TYR 54 N -0.58 0.18 -0.19 1.91 3.20 -1.21 -1.63 116.97 118.64 1u97 h TYR 54 Ca -0.01 -0.03 -0.02 0.00 3.14 0.00 0.00 58.73 61.80 1u97 h TYR 54 Cb 0.47 -0.05 -0.01 0.00 1.54 0.00 0.00 36.73 38.69 1u97 h TYR 54 CO 0.07 0.43 0.03 -0.22 -1.64 0.00 0.00 178.16 176.82 1u97 h LYS 55 N 0.15 0.33 -0.01 1.82 3.64 -1.19 -1.14 116.57 120.18 1u97 h LYS 55 Ca 0.02 -0.09 -0.00 0.00 -1.27 0.00 0.00 60.65 59.31 1u97 h LYS 55 Cb 0.57 -0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 32.35 1u97 h LYS 55 CO 0.04 0.49 -0.00 0.93 -2.27 0.00 0.00 179.45 178.64 1u97 h GLU 56 N 0.11 0.01 -0.28 1.90 4.39 -1.19 -1.35 114.58 118.18 1u97 h GLU 56 Ca 0.06 -0.01 0.05 0.00 0.34 0.00 0.00 59.36 59.80 1u97 h GLU 56 Cb 0.33 -0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 28.93 1u97 h GLU 56 CO 0.01 0.41 -0.03 0.00 -1.16 0.00 0.00 179.01 178.23 1u97 h MET 58 N 0.05 0.93 0.00 0.00 1.85 -1.24 -0.79 114.93 115.73 1u97 h MET 58 Ca 0.13 -0.15 -0.02 0.00 -0.61 0.00 0.00 59.70 59.05 1u97 h MET 58 Cb 0.19 -0.16 -0.00 0.00 0.43 0.00 0.00 31.60 32.06 1u97 h MET 58 CO -0.25 0.77 -0.08 -0.22 -0.40 0.00 0.00 176.91 176.73 1u97 h LYS 59 N 0.88 0.00 0.15 0.39 3.64 -0.62 -0.37 116.57 120.63 1u97 h LYS 59 Ca 0.21 0.00 -0.33 0.00 -1.27 0.00 0.00 60.65 59.26 1u97 h LYS 59 Cb 0.16 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 31.98 1u97 h LYS 59 CO -0.02 0.08 -1.68 0.78 -2.27 0.00 0.00 179.45 176.34 1u97 h GLY 60 N 1.08 0.36 -1.78 5.01 0.00 0.02 -3.34 103.07 104.42 1u97 h GLY 60 Ca -0.00 -0.91 0.00 0.00 0.00 0.00 0.00 47.33 46.42 1u97 h GLY 60 CO 0.01 0.80 0.00 -1.72 0.00 0.00 0.00 176.54 175.63 1u97 n TYR 61 N -3.50 0.60 0.00 5.60 4.01 -0.38 -4.96 117.16 118.52 1u97 n TYR 61 Ca -0.21 -0.30 0.00 0.00 -0.16 0.00 0.00 57.90 57.23 1u97 n TYR 61 Cb 1.06 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 40.09 1u97 n TYR 61 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1u97 n GLY 62 N 1.31 -0.23 1.07 2.72 0.00 -0.17 -4.38 105.19 105.51 1u97 n GLY 62 Ca 0.17 0.59 -0.08 0.00 0.00 0.00 0.00 46.02 46.70 1u97 n GLY 62 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 1u97 n PHE 63 N 0.00 -0.02 -0.35 1.61 -1.74 -1.20 -4.71 117.46 111.05 1u97 n PHE 63 Ca 0.00 -0.86 -0.28 0.00 -0.56 0.00 0.00 57.45 55.75 1u97 n PHE 63 Cb 0.00 0.02 0.26 0.00 1.52 0.00 0.00 39.48 41.28 1u97 n PHE 63 CO 0.00 0.00 0.00 0.39 -0.56 0.00 0.00 176.76 176.59 1u97 n GLU 64 N -0.28 -3.80 -1.72 3.97 -0.58 -1.26 -3.73 120.64 113.23 1u97 n GLU 64 Ca -0.01 -1.12 -0.43 0.00 -0.42 0.00 0.00 57.16 55.19 1u97 n GLU 64 Cb 0.20 -1.87 -0.02 0.00 -0.57 0.00 0.00 31.44 29.17 1u97 n GLU 64 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 1u97 n VAL 65 N -5.36 0.93 -1.59 2.62 0.31 -1.26 -4.84 118.33 109.14 1u97 n VAL 65 Ca 0.09 -0.23 -0.51 0.00 -0.01 0.00 0.00 64.34 63.68 1u97 n VAL 65 Cb 0.54 -1.84 -0.06 0.00 -0.91 0.00 0.00 33.84 31.57 1u97 n VAL 65 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 1u97 n PRO 66 N 2.26 1.47 -0.04 5.55 -0.04 -1.26 -4.87 135.00 138.07 1u97 n PRO 66 Ca 0.10 0.49 -0.05 0.00 -0.04 0.00 0.00 63.50 64.00 1u97 n PRO 66 Cb 0.35 -2.46 -0.02 0.00 -0.04 0.00 0.00 33.50 31.33 1u97 n PRO 66 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1u97 n SER 67 N 7.84 1.10 0.00 3.54 3.41 -1.26 -4.99 113.62 123.25 1u97 n SER 67 Ca 0.31 0.18 0.00 0.00 -0.26 0.00 0.00 58.87 59.11 1u97 n SER 67 Cb 0.23 -0.59 0.00 0.00 -0.26 0.00 0.00 64.21 63.59 1u97 n SER 67 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1u97 n ALA 68 N -3.60 0.27 0.69 7.33 0.00 -1.26 -5.32 120.51 118.62 1u97 n ALA 68 Ca -0.07 -0.05 0.08 0.00 0.00 0.00 0.00 53.44 53.40 1u97 n ALA 68 Cb 0.27 0.00 0.07 0.00 0.00 0.00 0.00 19.45 19.79 1u97 n ALA 68 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77