#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 0.18 -2.39 3.17 -2.24 -1.26 -4.90 114.28 106.83 1u97 n THR 2 Ca 0.00 -0.55 -0.43 0.00 -2.27 0.00 0.00 64.05 60.80 1u97 n THR 2 Cb 0.00 1.18 -0.02 0.00 -2.10 0.00 0.00 70.33 69.39 1u97 n THR 2 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 1u97 s GLU 3 N -1.82 3.86 0.23 -0.78 2.56 -1.26 -4.96 118.70 116.52 1u97 s GLU 3 Ca 0.33 1.23 -0.23 0.00 0.00 0.00 0.00 54.97 56.30 1u97 s GLU 3 Cb 0.21 -3.91 0.04 0.00 2.00 0.00 0.00 34.13 32.47 1u97 s GLU 3 CO 0.31 -1.20 0.81 -0.08 -0.56 0.00 0.00 175.26 174.54 1u97 s THR 4 N 4.58 0.00 0.00 -1.70 -1.32 -1.26 -5.08 115.64 110.86 1u97 s THR 4 Ca 0.58 -0.86 0.00 0.00 -1.21 0.00 0.00 61.69 60.20 1u97 s THR 4 Cb -0.17 -1.98 0.00 0.00 -1.51 0.00 0.00 72.50 68.84 1u97 s THR 4 CO 0.25 0.00 0.00 -0.67 -2.21 0.00 0.00 174.62 171.99 1u97 n ASP 5 N -0.46 2.84 -2.69 8.08 2.03 -1.26 -5.12 116.55 119.97 1u97 n ASP 5 Ca -0.05 0.00 -0.04 0.00 0.52 0.00 0.00 54.79 55.22 1u97 n ASP 5 Cb 0.60 0.00 -0.03 0.00 -0.72 0.00 0.00 41.12 40.97 1u97 n ASP 5 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 1u97 n LYS 6 N -2.28 -3.97 -0.04 -0.67 5.02 -1.26 -4.97 118.16 109.99 1u97 n LYS 6 Ca 0.00 3.06 -0.14 0.00 -2.02 0.00 0.00 58.31 59.22 1u97 n LYS 6 Cb 0.37 -4.71 -0.14 0.00 -0.02 0.00 0.00 35.03 30.53 1u97 n LYS 6 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1u97 n LYS 7 N 1.52 0.68 0.00 1.97 5.02 -1.26 -4.97 118.16 121.12 1u97 n LYS 7 Ca -0.28 0.21 0.00 0.00 -2.02 0.00 0.00 58.31 56.22 1u97 n LYS 7 Cb 0.45 -1.68 0.00 0.00 -0.02 0.00 0.00 35.03 33.78 1u97 n LYS 7 CO 0.00 0.00 0.00 0.94 -0.52 0.00 0.00 177.40 177.82 1u97 n GLN 8 N -3.13 0.00 -1.90 1.97 7.27 -1.26 -4.69 117.38 115.63 1u97 n GLN 8 Ca -0.28 0.00 -0.30 0.00 0.07 0.00 0.00 57.00 56.49 1u97 n GLN 8 Cb 1.06 0.00 0.20 0.00 2.41 0.00 0.00 30.24 33.91 1u97 n GLN 8 CO 0.00 0.00 0.00 -1.21 0.07 0.00 0.00 177.06 175.92 1u97 s GLU 9 N 0.00 0.42 0.49 3.69 0.41 -1.26 -5.06 118.70 117.40 1u97 s GLU 9 Ca 0.00 -0.45 -0.13 0.00 -0.41 0.00 0.00 54.97 53.98 1u97 s GLU 9 Cb 0.00 -1.82 -0.07 0.00 -1.78 0.00 0.00 34.13 30.46 1u97 s GLU 9 CO 0.00 -2.55 0.91 -0.65 -0.49 0.00 0.00 175.26 172.47 1u97 s GLN 10 N -5.91 3.81 2.63 1.61 -1.52 -1.26 -4.71 119.66 114.31 1u97 s GLN 10 Ca 0.75 0.71 0.00 0.00 -1.95 0.00 0.00 55.36 54.88 1u97 s GLN 10 Cb -0.03 -2.23 0.00 0.00 -0.22 0.00 0.00 33.01 30.53 1u97 s GLN 10 CO 0.54 -0.23 0.00 0.39 -0.25 0.00 0.00 175.29 175.73 1u97 n GLU 11 N -1.71 0.00 0.00 2.91 1.02 -1.26 -3.97 120.64 117.64 1u97 n GLU 11 Ca 0.05 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.19 1u97 n GLU 11 Cb 0.54 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.96 1u97 n GLU 11 CO 0.00 0.00 0.00 0.27 1.18 0.00 0.00 177.13 178.58 1u97 n ASN 12 N 5.05 0.00 -2.46 1.62 6.94 -1.26 -5.09 115.26 120.06 1u97 n ASN 12 Ca 0.00 0.00 -0.04 0.00 -0.02 0.00 0.00 54.58 54.52 1u97 n ASN 12 Cb 0.00 0.00 -0.03 0.00 -2.36 0.00 0.00 39.78 37.39 1u97 n ASN 12 CO 0.00 0.00 0.00 1.41 -1.03 0.00 0.00 177.26 177.64 1u97 n HIS 13 N -0.05 -4.38 -3.06 -2.53 8.25 -1.25 -4.98 115.22 107.21 1u97 n HIS 13 Ca 0.00 2.57 -0.34 0.00 -0.26 0.00 0.00 57.72 59.69 1u97 n HIS 13 Cb 0.00 -3.80 -0.06 0.00 1.12 0.00 0.00 29.99 27.25 1u97 n HIS 13 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1u97 s ALA 14 N -0.61 3.30 0.45 -1.41 0.00 -1.26 -5.07 121.76 117.16 1u97 s ALA 14 Ca -0.20 0.15 -0.05 0.00 0.00 0.00 0.00 51.96 51.87 1u97 s ALA 14 Cb 0.01 -2.86 -0.04 0.00 0.00 0.00 0.00 23.12 20.23 1u97 s ALA 14 CO 0.53 0.29 0.75 -1.21 0.00 0.00 0.00 175.76 176.12 1u97 s GLU 15 N -2.67 3.56 0.22 0.00 2.02 -1.26 -5.05 118.70 115.52 1u97 s GLU 15 Ca 0.52 0.15 -0.30 0.00 0.02 0.00 0.00 54.97 55.37 1u97 s GLU 15 Cb -0.12 -2.42 -0.08 0.00 0.10 0.00 0.00 34.13 31.60 1u97 s GLU 15 CO 0.18 -0.13 1.12 0.00 0.02 0.00 0.00 175.26 176.46 1u97 n GLU 17 N 1.97 1.46 0.03 0.00 0.00 -1.26 -4.81 120.64 118.02 1u97 n GLU 17 Ca 0.02 -0.00 -0.13 0.00 0.00 0.00 0.00 57.16 57.05 1u97 n GLU 17 Cb 0.45 -0.12 -0.14 0.00 0.00 0.00 0.00 31.44 31.64 1u97 n GLU 17 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.13 177.35 1u97 h ASP 18 N 0.00 0.20 -4.00 -1.84 3.58 -2.05 -3.41 116.42 108.89 1u97 h ASP 18 Ca 0.00 -0.32 -0.67 0.00 0.42 0.00 0.00 57.03 56.46 1u97 h ASP 18 Cb 0.01 -0.06 -0.38 0.00 1.72 0.00 0.00 39.33 40.61 1u97 h ASP 18 CO 0.00 1.27 -0.44 -0.75 -2.88 0.00 0.00 179.24 176.45 1u97 s LYS 19 N -2.62 2.47 0.03 0.28 2.20 -1.26 -5.08 119.74 115.76 1u97 s LYS 19 Ca -0.07 -2.77 -0.30 0.00 -0.36 0.00 0.00 55.97 52.46 1u97 s LYS 19 Cb 0.08 -3.59 -0.06 0.00 -1.51 0.00 0.00 37.83 32.74 1u97 s LYS 19 CO 0.83 -1.18 1.36 -1.25 -0.36 0.00 0.00 175.35 174.74 1u97 s PRO 20 N -0.50 4.32 -0.37 4.03 0.04 -1.26 -4.99 135.00 136.26 1u97 s PRO 20 Ca 0.19 1.94 0.03 0.00 0.04 0.00 0.00 61.00 63.20 1u97 s PRO 20 Cb -0.18 -3.46 0.15 0.00 0.04 0.00 0.00 34.50 31.05 1u97 s PRO 20 CO -0.05 -0.49 0.35 0.21 0.04 0.00 0.00 177.00 177.06 1u97 s LYS 21 N 1.88 0.64 0.10 4.56 2.36 -1.26 -5.13 119.74 122.88 1u97 s LYS 21 Ca 0.63 -1.01 -0.30 0.00 -2.55 0.00 0.00 55.97 52.74 1u97 s LYS 21 Cb -0.32 -0.86 -0.06 0.00 -1.05 0.00 0.00 37.83 35.54 1u97 s LYS 21 CO 0.27 -1.21 1.16 -1.25 1.55 0.00 0.00 175.35 175.88 1u97 s PRO 22 N 1.29 4.48 -0.25 4.03 0.04 -1.26 -4.96 135.00 138.37 1u97 s PRO 22 Ca 0.18 1.75 -0.16 0.00 0.04 0.00 0.00 61.00 62.82 1u97 s PRO 22 Cb -0.16 -3.32 -0.12 0.00 0.04 0.00 0.00 34.50 30.93 1u97 s PRO 22 CO -0.02 -0.15 -0.25 0.00 0.04 0.00 0.00 177.00 176.62 1u97 n VAL 25 N -0.75 0.00 -2.21 0.00 0.24 -1.26 -4.76 118.33 109.59 1u97 n VAL 25 Ca 0.00 0.00 -0.01 0.00 -2.04 0.00 0.00 64.34 62.29 1u97 n VAL 25 Cb 0.00 0.00 -0.02 0.00 -1.47 0.00 0.00 33.84 32.35 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 0.42 -0.12 -0.01 0.00 3.64 -2.00 -0.93 116.57 117.56 1u97 h LYS 27 Ca -0.30 0.01 -0.21 0.00 -1.27 0.00 0.00 60.65 58.87 1u97 h LYS 27 Cb 1.57 0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 33.42 1u97 h LYS 27 CO -0.06 -0.08 -0.90 -1.00 -2.27 0.00 0.00 179.45 175.14 1u97 h PRO 28 N -0.13 0.35 0.00 1.90 0.13 -1.95 -3.16 132.00 129.14 1u97 h PRO 28 Ca 0.13 -0.36 -0.01 0.00 -0.87 0.00 0.00 66.00 64.89 1u97 h PRO 28 Cb 0.32 0.10 -0.00 0.00 0.13 0.00 0.00 31.00 31.55 1u97 h PRO 28 CO -0.31 1.04 -0.03 0.93 -0.23 0.00 0.00 178.00 179.40 1u97 h GLU 29 N 0.20 0.00 0.04 0.86 3.07 -1.85 -1.91 114.58 115.00 1u97 h GLU 29 Ca -0.06 0.00 -0.00 0.00 -0.50 0.00 0.00 59.36 58.79 1u97 h GLU 29 Cb 1.52 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.43 1u97 h GLU 29 CO 0.15 0.03 -0.02 -0.22 -1.40 0.00 0.00 179.01 177.55 1u97 h LYS 30 N 0.00 -0.05 -0.79 2.33 3.64 -1.14 -1.17 116.57 119.39 1u97 h LYS 30 Ca -0.00 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.36 1u97 h LYS 30 Cb 0.08 0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 31.88 1u97 h LYS 30 CO 0.00 0.37 0.39 0.93 -2.27 0.00 0.00 179.45 178.88 1u97 h GLU 31 N -0.49 1.13 -0.58 1.90 3.07 -1.54 -1.74 114.58 116.32 1u97 h GLU 31 Ca -0.01 -0.16 -0.07 0.00 -0.50 0.00 0.00 59.36 58.63 1u97 h GLU 31 Cb 0.45 -0.21 -0.02 0.00 -0.84 0.00 0.00 28.75 28.13 1u97 h GLU 31 CO 0.01 0.87 0.09 0.93 -1.40 0.00 0.00 179.01 179.51 1u97 h GLU 32 N 1.11 0.97 -0.38 2.33 5.08 -1.38 -1.07 114.58 121.24 1u97 h GLU 32 Ca 0.27 -0.26 -0.01 0.00 -1.00 0.00 0.00 59.36 58.37 1u97 h GLU 32 Cb 0.10 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.22 1u97 h GLU 32 CO -0.04 0.92 0.21 -0.09 -1.00 0.00 0.00 179.01 179.02 1u97 h ARG 33 N 0.87 0.53 -0.05 2.33 2.43 -0.89 -1.32 114.38 118.28 1u97 h ARG 33 Ca 0.18 -0.06 -0.00 0.00 -0.81 0.00 0.00 59.98 59.28 1u97 h ARG 33 Cb 0.43 -0.11 -0.00 0.00 -0.42 0.00 0.00 29.97 29.87 1u97 h ARG 33 CO 0.01 0.42 0.02 -0.44 -1.51 0.00 0.00 179.97 178.47 1u97 h ASP 34 N 0.49 0.07 -0.71 -3.80 3.32 -1.20 -2.03 116.42 112.57 1u97 h ASP 34 Ca 0.13 -0.20 0.08 0.00 0.02 0.00 0.00 57.03 57.07 1u97 h ASP 34 Cb 0.04 -0.02 -0.05 0.00 0.22 0.00 0.00 39.33 39.53 1u97 h ASP 34 CO -0.02 0.25 0.47 0.74 -1.72 0.00 0.00 179.24 178.95 1u97 h THR 35 N -0.11 0.96 0.11 0.35 2.02 -1.08 -0.67 112.91 114.49 1u97 h THR 35 Ca 0.02 -0.22 -0.01 0.00 0.77 0.00 0.00 66.41 66.97 1u97 h THR 35 Cb 0.20 0.26 0.00 0.00 -1.74 0.00 0.00 68.15 66.87 1u97 h THR 35 CO -0.00 0.12 -0.05 0.00 0.37 0.00 0.00 175.52 175.95 1u97 h ILE 37 N -0.55 1.01 0.02 0.00 2.04 -0.91 -1.25 117.51 117.88 1u97 h ILE 37 Ca -0.02 -0.03 -0.25 0.00 1.00 0.00 0.00 64.86 65.56 1u97 h ILE 37 Cb 0.44 0.91 -0.03 0.00 -0.74 0.00 0.00 36.82 37.40 1u97 h ILE 37 CO 0.02 0.02 -1.28 -0.07 0.00 0.00 0.00 178.15 176.85 1u97 h LEU 38 N 0.10 0.08 0.18 1.44 3.38 -1.05 -2.24 115.31 117.20 1u97 h LEU 38 Ca 0.03 -0.11 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 1u97 h LEU 38 Cb 0.01 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.73 1u97 h LEU 38 CO -0.01 1.09 -0.09 0.15 0.09 0.00 0.00 178.44 179.67 1u97 h PHE 39 N 0.01 -0.22 0.19 1.13 3.57 0.16 -3.40 116.94 118.39 1u97 h PHE 39 Ca -0.12 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.36 1u97 h PHE 39 Cb 1.88 0.07 0.00 0.00 2.79 0.00 0.00 35.95 40.70 1u97 h PHE 39 CO 0.01 -0.14 -0.09 -0.91 -2.23 0.00 0.00 178.31 174.95 1u97 h ASN 40 N -0.41 -0.22 -3.11 0.41 2.35 -1.45 -3.51 115.58 109.64 1u97 h ASN 40 Ca -0.02 -0.07 0.00 0.00 -0.55 0.00 0.00 56.30 55.65 1u97 h ASN 40 Cb 0.19 0.06 0.00 0.00 0.05 0.00 0.00 38.32 38.61 1u97 h ASN 40 CO 0.04 0.28 0.00 0.61 -1.65 0.00 0.00 177.43 176.71 1u97 n GLY 41 N 1.05 3.20 3.77 2.83 0.00 -0.84 -5.07 105.19 110.13 1u97 n GLY 41 Ca -0.04 -1.54 -0.37 0.00 0.00 0.00 0.00 46.02 44.06 1u97 n GLY 41 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1u97 s GLN 42 N -2.16 3.85 -0.25 1.61 -2.07 -1.23 -4.44 119.66 114.97 1u97 s GLN 42 Ca 0.00 1.79 -0.05 0.00 -1.82 0.00 0.00 55.36 55.28 1u97 s GLN 42 Cb 0.00 -2.48 0.02 0.00 -1.09 0.00 0.00 33.01 29.46 1u97 s GLN 42 CO 0.00 -0.48 0.09 -3.47 -1.32 0.00 0.00 175.29 170.11 1u97 n ASP 43 N -0.33 -5.15 -3.34 12.60 2.03 -1.26 -5.07 116.55 116.03 1u97 n ASP 43 Ca 0.06 1.37 -0.10 0.00 0.52 0.00 0.00 54.79 56.64 1u97 n ASP 43 Cb 0.48 -5.12 -0.02 0.00 -0.72 0.00 0.00 41.12 35.74 1u97 n ASP 43 CO 0.00 0.00 0.00 -0.55 -1.92 0.00 0.00 177.20 174.73 1u97 s SER 44 N -1.23 0.22 -0.09 1.67 0.15 -1.26 -5.06 113.70 108.10 1u97 s SER 44 Ca -0.11 -1.13 0.19 0.00 0.70 0.00 0.00 55.95 55.60 1u97 s SER 44 Cb 0.01 0.73 -0.26 0.00 -1.71 0.00 0.00 66.02 64.78 1u97 s SER 44 CO 0.75 -1.43 0.36 1.21 1.20 0.00 0.00 173.24 175.33 1u97 n GLU 45 N -0.50 0.67 -0.24 5.44 2.13 -1.26 -4.07 120.64 122.80 1u97 n GLU 45 Ca -0.04 -0.05 0.04 0.00 0.66 0.00 0.00 57.16 57.77 1u97 n GLU 45 Cb 0.61 -1.57 0.15 0.00 0.27 0.00 0.00 31.44 30.89 1u97 n GLU 45 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 1u97 n LYS 46 N -2.58 2.07 0.00 5.31 5.02 -1.26 -3.49 118.16 123.24 1u97 n LYS 46 Ca -0.18 -1.16 0.00 0.00 -2.02 0.00 0.00 58.31 54.96 1u97 n LYS 46 Cb 0.87 -1.48 0.00 0.00 -0.02 0.00 0.00 35.03 34.40 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 0.00 0.00 -0.16 0.00 1.57 -1.70 -2.84 116.57 113.43 1u97 h LYS 48 Ca 0.00 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.72 1u97 h LYS 48 Cb 0.00 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.31 1u97 h LYS 48 CO 0.00 0.04 -0.12 1.05 -0.57 0.00 0.00 179.45 179.85 1u97 h GLU 49 N 0.00 0.37 -0.40 3.15 4.11 -1.83 -1.75 114.58 118.23 1u97 h GLU 49 Ca -0.00 -0.18 -0.10 0.00 0.07 0.00 0.00 59.36 59.15 1u97 h GLU 49 Cb 0.31 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.54 1u97 h GLU 49 CO 0.00 0.72 -0.15 0.74 0.07 0.00 0.00 179.01 180.39 1u97 h PHE 50 N 0.03 0.82 0.53 2.06 0.04 -1.83 -1.60 116.94 116.98 1u97 h PHE 50 Ca 0.03 -0.16 -0.03 0.00 2.80 0.00 0.00 57.97 60.62 1u97 h PHE 50 Cb 0.63 -0.21 0.01 0.00 2.20 0.00 0.00 35.95 38.58 1u97 h PHE 50 CO 0.07 0.84 -0.25 0.82 -0.60 0.00 0.00 178.31 179.19 1u97 h ILE 51 N 0.66 0.38 -0.98 -0.55 2.04 -1.49 -0.80 117.51 116.77 1u97 h ILE 51 Ca 0.11 -0.34 0.06 0.00 1.00 0.00 0.00 64.86 65.68 1u97 h ILE 51 Cb 0.63 0.50 -0.06 0.00 -0.74 0.00 0.00 36.82 37.14 1u97 h ILE 51 CO 0.04 0.05 0.63 1.05 0.00 0.00 0.00 178.15 179.92 1u97 h GLU 52 N -0.95 1.13 -0.43 2.37 4.11 -1.33 -0.85 114.58 118.62 1u97 h GLU 52 Ca -0.07 -0.07 -0.06 0.00 0.07 0.00 0.00 59.36 59.23 1u97 h GLU 52 Cb 0.62 -0.25 -0.02 0.00 0.50 0.00 0.00 28.75 29.60 1u97 h GLU 52 CO 0.12 0.75 0.03 -0.22 0.07 0.00 0.00 179.01 179.76 1u97 h LYS 53 N 1.16 0.68 -0.22 1.06 3.64 -1.24 -1.89 116.57 119.76 1u97 h LYS 53 Ca 0.42 -0.15 -0.13 0.00 -1.27 0.00 0.00 60.65 59.52 1u97 h LYS 53 Cb 0.14 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 31.85 1u97 h LYS 53 CO -0.16 0.67 -0.40 -0.92 -2.27 0.00 0.00 179.45 176.37 1u97 h TYR 54 N 0.65 0.59 0.04 1.91 3.20 0.17 -1.85 116.97 121.67 1u97 h TYR 54 Ca 0.14 -0.17 -0.00 0.00 3.14 0.00 0.00 58.73 61.84 1u97 h TYR 54 Cb 0.35 -0.13 0.00 0.00 1.54 0.00 0.00 36.73 38.50 1u97 h TYR 54 CO 0.02 0.82 -0.02 0.87 -1.64 0.00 0.00 178.16 178.21 1u97 h LYS 55 N 0.41 -0.05 -0.32 1.82 1.57 -0.78 -1.53 116.57 117.70 1u97 h LYS 55 Ca 0.04 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.80 1u97 h LYS 55 Cb 0.88 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 33.19 1u97 h LYS 55 CO 0.07 0.38 0.12 1.05 -0.57 0.00 0.00 179.45 180.51 1u97 h GLU 56 N -0.50 0.47 -0.45 3.15 4.11 -1.39 0.18 114.58 120.16 1u97 h GLU 56 Ca -0.01 -0.09 -0.01 0.00 0.07 0.00 0.00 59.36 59.33 1u97 h GLU 56 Cb 0.46 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.61 1u97 h GLU 56 CO 0.01 0.48 0.24 0.00 0.07 0.00 0.00 179.01 179.81 1u97 h MET 58 N 0.58 0.00 0.19 0.00 4.05 -1.15 -3.09 114.93 115.52 1u97 h MET 58 Ca 0.16 0.00 -0.01 0.00 -0.28 0.00 0.00 59.70 59.57 1u97 h MET 58 Cb 0.06 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 30.87 1u97 h MET 58 CO -0.02 0.14 -0.09 -0.22 0.23 0.00 0.00 176.91 176.94 1u97 h LYS 59 N 0.00 -0.25 -0.63 0.39 3.64 0.09 -2.62 116.57 117.18 1u97 h LYS 59 Ca -0.00 0.02 0.09 0.00 -1.27 0.00 0.00 60.65 59.48 1u97 h LYS 59 Cb 0.70 0.06 -0.04 0.00 -0.41 0.00 0.00 32.23 32.54 1u97 h LYS 59 CO 0.02 0.14 0.42 0.78 -2.27 0.00 0.00 179.45 178.54 1u97 h GLY 60 N -0.75 0.71 2.00 5.01 0.00 -1.36 0.44 103.07 109.11 1u97 h GLY 60 Ca -0.03 -0.21 -0.08 0.00 0.00 0.00 0.00 47.33 47.01 1u97 h GLY 60 CO 0.04 0.14 -0.37 -1.82 0.00 0.00 0.00 176.54 174.53 1u97 h TYR 61 N 0.52 0.00 -3.85 5.60 3.20 -1.53 -3.49 116.97 117.43 1u97 h TYR 61 Ca 0.29 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.16 1u97 h TYR 61 Cb 0.45 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.71 1u97 h TYR 61 CO -0.00 0.37 -0.45 0.41 -1.64 0.00 0.00 178.16 176.85 1u97 n GLY 62 N -0.07 -3.53 0.00 1.82 0.00 0.15 -5.06 105.19 98.50 1u97 n GLY 62 Ca -0.01 0.13 0.00 0.00 0.00 0.00 0.00 46.02 46.14 1u97 n GLY 62 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1u97 n PHE 63 N 0.37 0.00 -1.01 1.61 7.35 -1.25 -5.07 117.46 119.46 1u97 n PHE 63 Ca -0.04 0.00 -0.35 0.00 -0.76 0.00 0.00 57.45 56.31 1u97 n PHE 63 Cb 0.05 0.00 0.08 0.00 0.35 0.00 0.00 39.48 39.97 1u97 n PHE 63 CO 0.00 0.00 0.00 -1.91 -0.76 0.00 0.00 176.76 174.09 1u97 n GLU 64 N 0.00 -0.03 -1.34 -4.13 2.13 -1.26 -4.50 120.64 111.51 1u97 n GLU 64 Ca 0.00 0.03 0.00 0.00 0.66 0.00 0.00 57.16 57.85 1u97 n GLU 64 Cb 0.00 -1.66 0.00 0.00 0.27 0.00 0.00 31.44 30.05 1u97 n GLU 64 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 1u97 n VAL 65 N -2.90 -4.58 -1.28 6.31 0.31 -1.26 -4.64 118.33 110.28 1u97 n VAL 65 Ca 0.06 1.99 -0.44 0.00 -0.01 0.00 0.00 64.34 65.95 1u97 n VAL 65 Cb 0.52 -2.77 -0.13 0.00 -0.91 0.00 0.00 33.84 30.56 1u97 n VAL 65 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 1u97 n PRO 66 N -0.57 0.00 -0.01 5.55 -0.02 -1.26 -4.72 135.00 133.96 1u97 n PRO 66 Ca 0.00 0.00 -0.02 0.00 -2.02 0.00 0.00 63.50 61.46 1u97 n PRO 66 Cb 0.00 -1.37 -0.02 0.00 -0.02 0.00 0.00 33.50 32.10 1u97 n PRO 66 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1u97 n SER 67 N 8.58 4.02 -3.58 2.55 3.41 -1.26 -4.89 113.62 122.45 1u97 n SER 67 Ca 0.57 -0.01 -0.07 0.00 -0.26 0.00 0.00 58.87 59.10 1u97 n SER 67 Cb 0.00 0.20 -0.08 0.00 -0.26 0.00 0.00 64.21 64.07 1u97 n SER 67 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1u97 s ALA 68 N -2.06 -1.36 -2.00 7.33 0.00 -1.26 -4.82 121.76 117.59 1u97 s ALA 68 Ca -0.03 1.57 0.23 0.00 0.00 0.00 0.00 51.96 53.73 1u97 s ALA 68 Cb 0.01 -1.50 1.36 0.00 0.00 0.00 0.00 23.12 22.98 1u97 s ALA 68 CO 0.08 -0.90 1.73 -1.71 0.00 0.00 0.00 175.76 174.96