#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u97 s THR 2 N 0.00 0.70 -0.09 3.17 -1.32 -1.26 -5.14 115.64 111.70 1u97 s THR 2 Ca 0.00 -0.64 -0.00 0.00 -1.21 0.00 0.00 61.69 59.84 1u97 s THR 2 Cb 0.00 -0.64 0.02 0.00 -1.51 0.00 0.00 72.50 70.37 1u97 s THR 2 CO 0.00 0.01 -0.07 -0.70 -2.21 0.00 0.00 174.62 171.66 1u97 s GLU 3 N -0.70 1.32 -0.19 7.08 2.56 -1.26 -5.11 118.70 122.40 1u97 s GLU 3 Ca -0.00 -0.20 -0.04 0.00 0.00 0.00 0.00 54.97 54.73 1u97 s GLU 3 Cb -0.06 -1.38 0.08 0.00 2.00 0.00 0.00 34.13 34.78 1u97 s GLU 3 CO 0.00 -0.21 0.18 0.99 -0.56 0.00 0.00 175.26 175.66 1u97 s THR 4 N 1.52 -0.24 -0.08 -1.70 2.01 -1.26 -5.13 115.64 110.76 1u97 s THR 4 Ca 0.00 -0.14 0.00 0.00 0.31 0.00 0.00 61.69 61.87 1u97 s THR 4 Cb -0.13 -0.65 0.02 0.00 0.01 0.00 0.00 72.50 71.75 1u97 s THR 4 CO -0.05 -0.24 -0.06 -0.62 -0.69 0.00 0.00 174.62 172.96 1u97 s ASP 5 N 2.26 1.63 0.04 3.53 2.15 -1.26 -5.03 116.67 120.00 1u97 s ASP 5 Ca 0.05 -0.21 -0.02 0.00 0.43 0.00 0.00 52.55 52.80 1u97 s ASP 5 Cb -0.16 -0.65 -0.01 0.00 -0.30 0.00 0.00 42.92 41.81 1u97 s ASP 5 CO -0.11 -0.08 -0.04 0.29 -0.17 0.00 0.00 175.17 175.05 1u97 n LYS 6 N 4.50 0.07 -4.04 4.34 4.76 -1.26 -5.08 118.16 121.45 1u97 n LYS 6 Ca -0.17 0.03 -0.27 0.00 -2.87 0.00 0.00 58.31 55.03 1u97 n LYS 6 Cb 0.51 -0.53 -0.05 0.00 -1.84 0.00 0.00 35.03 33.12 1u97 n LYS 6 CO 0.00 0.00 0.00 -1.59 -1.37 0.00 0.00 177.40 174.44 1u97 s LYS 7 N -1.91 3.05 -0.15 1.97 0.00 -1.26 -5.12 119.74 116.32 1u97 s LYS 7 Ca -0.04 -0.76 -0.24 0.00 0.00 0.00 0.00 55.97 54.94 1u97 s LYS 7 Cb 0.01 -2.75 0.06 0.00 0.00 0.00 0.00 37.83 35.14 1u97 s LYS 7 CO 0.05 0.51 0.61 1.14 0.00 0.00 0.00 175.35 177.67 1u97 s GLN 8 N -2.99 0.84 0.00 1.78 -2.07 -1.26 -5.12 119.66 110.83 1u97 s GLN 8 Ca 0.32 0.55 0.00 0.00 -1.82 0.00 0.00 55.36 54.41 1u97 s GLN 8 Cb -0.11 0.40 0.00 0.00 -1.09 0.00 0.00 33.01 32.21 1u97 s GLN 8 CO 0.25 -0.18 0.00 -1.91 -1.32 0.00 0.00 175.29 172.13 1u97 n GLU 9 N 1.97 0.00 -0.05 9.60 2.13 -1.26 -4.97 120.64 128.05 1u97 n GLU 9 Ca -0.16 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.66 1u97 n GLU 9 Cb 0.56 -0.06 0.00 0.00 0.27 0.00 0.00 31.44 32.21 1u97 n GLU 9 CO 0.00 0.00 0.00 1.04 -0.41 0.00 0.00 177.13 177.76 1u97 n GLN 10 N -0.82 0.00 -0.13 5.31 6.02 -1.26 -5.15 117.38 121.35 1u97 n GLN 10 Ca 0.00 -0.41 0.02 0.00 -0.01 0.00 0.00 57.00 56.60 1u97 n GLN 10 Cb 0.00 -0.37 -0.00 0.00 1.02 0.00 0.00 30.24 30.89 1u97 n GLN 10 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 1u97 n GLU 11 N 0.00 -0.26 -0.13 -1.09 1.02 -1.26 -4.65 120.64 114.27 1u97 n GLU 11 Ca 0.00 0.17 -0.21 0.00 -0.02 0.00 0.00 57.16 57.11 1u97 n GLU 11 Cb 0.52 -0.32 -0.11 0.00 -0.02 0.00 0.00 31.44 31.50 1u97 n GLU 11 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 1u97 n ASN 12 N -3.27 1.99 -2.60 1.62 2.85 -1.26 -5.10 115.26 109.50 1u97 n ASN 12 Ca 0.00 -0.02 -0.05 0.00 -0.11 0.00 0.00 54.58 54.40 1u97 n ASN 12 Cb 0.06 -0.50 -0.04 0.00 1.24 0.00 0.00 39.78 40.53 1u97 n ASN 12 CO 0.00 0.00 0.00 1.41 -2.11 0.00 0.00 177.26 176.56 1u97 n HIS 13 N -3.49 -4.42 -3.51 1.20 8.25 -1.26 -5.04 115.22 106.95 1u97 n HIS 13 Ca -0.47 2.58 -0.27 0.00 -0.26 0.00 0.00 57.72 59.29 1u97 n HIS 13 Cb 0.96 -3.85 -0.14 0.00 1.12 0.00 0.00 29.99 28.08 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 -0.64 0.47 -0.06 -1.41 0.00 -1.26 -4.96 121.76 113.90 1u97 s ALA 14 Ca -0.27 -1.01 0.08 0.00 0.00 0.00 0.00 51.96 50.76 1u97 s ALA 14 Cb 0.02 -1.47 0.12 0.00 0.00 0.00 0.00 23.12 21.80 1u97 s ALA 14 CO 0.73 -1.68 1.01 0.39 0.00 0.00 0.00 175.76 176.20 1u97 n GLU 15 N 5.20 1.52 -0.10 0.00 1.02 -1.26 -4.68 120.64 122.33 1u97 n GLU 15 Ca -0.04 -1.78 0.04 0.00 -0.02 0.00 0.00 57.16 55.36 1u97 n GLU 15 Cb 0.42 -1.09 0.14 0.00 -0.02 0.00 0.00 31.44 30.89 1u97 n GLU 15 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1u97 s GLU 17 N -1.74 0.47 -0.17 0.00 2.56 -1.26 -5.13 118.70 113.43 1u97 s GLU 17 Ca 0.16 0.44 -0.05 0.00 0.00 0.00 0.00 54.97 55.53 1u97 s GLU 17 Cb 0.08 -0.04 0.08 0.00 2.00 0.00 0.00 34.13 36.25 1u97 s GLU 17 CO 0.11 -0.92 0.31 -0.51 -0.56 0.00 0.00 175.26 173.70 1u97 s ASP 18 N 2.67 0.27 -0.50 -1.70 1.01 -1.26 -5.10 116.67 112.06 1u97 s ASP 18 Ca 0.12 0.59 0.03 0.00 0.71 0.00 0.00 52.55 54.00 1u97 s ASP 18 Cb -0.13 0.89 0.15 0.00 1.01 0.00 0.00 42.92 44.84 1u97 s ASP 18 CO -0.25 -0.25 0.31 -0.75 0.21 0.00 0.00 175.17 174.44 1u97 s LYS 19 N 2.48 1.53 0.73 8.23 2.47 -1.26 -5.12 119.74 128.79 1u97 s LYS 19 Ca 0.02 -2.35 -0.12 0.00 -1.56 0.00 0.00 55.97 51.96 1u97 s LYS 19 Cb -0.13 -2.49 0.17 0.00 -1.46 0.00 0.00 37.83 33.92 1u97 s LYS 19 CO -0.11 -1.22 0.91 -0.35 0.16 0.00 0.00 175.35 174.75 1u97 n PRO 20 N 3.07 -1.21 -2.96 4.03 -0.04 -1.26 -5.09 135.00 131.55 1u97 n PRO 20 Ca 0.14 -1.42 -0.10 0.00 -0.04 0.00 0.00 63.50 62.08 1u97 n PRO 20 Cb 0.37 -1.01 -0.02 0.00 -0.04 0.00 0.00 33.50 32.80 1u97 n PRO 20 CO 0.00 0.00 0.00 -1.59 -0.04 0.00 0.00 175.50 173.87 1u97 s LYS 21 N -5.01 1.01 0.53 0.54 -2.85 -1.26 -5.15 119.74 107.56 1u97 s LYS 21 Ca 0.53 -1.30 -0.22 0.00 -1.00 0.00 0.00 55.97 53.98 1u97 s LYS 21 Cb -0.02 -0.41 -0.06 0.00 -2.06 0.00 0.00 37.83 35.27 1u97 s LYS 21 CO 0.38 -1.34 1.22 -2.30 0.10 0.00 0.00 175.35 173.41 1u97 n PRO 22 N 3.00 1.51 -3.82 1.78 -0.02 -1.26 -5.02 135.00 131.16 1u97 n PRO 22 Ca 0.21 0.55 -0.06 0.00 -2.02 0.00 0.00 63.50 62.18 1u97 n PRO 22 Cb 0.54 -2.40 -0.02 0.00 -0.02 0.00 0.00 33.50 31.59 1u97 n PRO 22 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1u97 s VAL 25 N 5.99 1.08 0.00 0.00 -7.23 -1.26 -4.96 120.40 114.02 1u97 s VAL 25 Ca 0.75 -0.45 0.00 0.00 -1.81 0.00 0.00 61.98 60.47 1u97 s VAL 25 Cb -0.24 -0.99 0.00 0.00 0.56 0.00 0.00 36.38 35.72 1u97 s VAL 25 CO 0.32 0.34 0.28 0.00 -0.31 0.00 0.00 175.10 175.73 1u97 h LYS 27 N 0.00 -0.12 0.00 0.00 1.57 -2.01 -1.62 116.57 114.38 1u97 h LYS 27 Ca -0.12 0.01 -0.05 0.00 -1.87 0.00 0.00 60.65 58.61 1u97 h LYS 27 Cb 0.64 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.97 1u97 h LYS 27 CO -0.06 -0.08 -0.26 -1.00 -0.57 0.00 0.00 179.45 177.48 1u97 h PRO 28 N -0.13 0.00 -0.32 3.15 0.13 -2.00 -2.84 132.00 129.98 1u97 h PRO 28 Ca 0.13 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 65.17 1u97 h PRO 28 Cb 0.32 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.44 1u97 h PRO 28 CO -0.31 0.26 -0.18 0.93 -0.23 0.00 0.00 178.00 178.46 1u97 h GLU 29 N 0.00 0.60 -0.09 0.86 3.07 -1.71 -1.94 114.58 115.37 1u97 h GLU 29 Ca -0.00 -0.21 -0.14 0.00 -0.50 0.00 0.00 59.36 58.51 1u97 h GLU 29 Cb 0.59 -0.04 -0.01 0.00 -0.84 0.00 0.00 28.75 28.44 1u97 h GLU 29 CO 0.03 0.75 -0.55 0.87 -1.40 0.00 0.00 179.01 178.71 1u97 h LYS 30 N 0.53 0.26 -0.02 2.33 1.57 -1.17 -1.57 116.57 118.50 1u97 h LYS 30 Ca 0.09 -0.16 -0.01 0.00 -1.87 0.00 0.00 60.65 58.69 1u97 h LYS 30 Cb 0.62 0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.94 1u97 h LYS 30 CO 0.04 0.74 -0.04 1.49 -0.57 0.00 0.00 179.45 181.12 1u97 h GLU 31 N 0.20 0.07 -0.55 3.15 4.81 -1.45 -1.79 114.58 119.02 1u97 h GLU 31 Ca 0.00 -0.04 -0.07 0.00 -0.13 0.00 0.00 59.36 59.12 1u97 h GLU 31 Cb 1.03 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.40 1u97 h GLU 31 CO 0.09 0.59 0.08 0.93 -0.73 0.00 0.00 179.01 179.97 1u97 h GLU 32 N -0.45 0.92 -0.08 1.92 4.39 -1.39 -1.43 114.58 118.46 1u97 h GLU 32 Ca 0.00 -0.25 -0.00 0.00 0.34 0.00 0.00 59.36 59.44 1u97 h GLU 32 Cb 0.59 -0.11 -0.00 0.00 -0.10 0.00 0.00 28.75 29.13 1u97 h GLU 32 CO 0.01 0.89 0.03 -0.09 -1.16 0.00 0.00 179.01 178.70 1u97 h ARG 33 N 0.81 0.13 -0.84 2.33 2.43 -1.34 -1.72 114.38 116.17 1u97 h ARG 33 Ca 0.17 -0.02 0.02 0.00 -0.81 0.00 0.00 59.98 59.33 1u97 h ARG 33 Cb 0.43 -0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 29.91 1u97 h ARG 33 CO 0.01 0.25 0.55 0.22 -1.51 0.00 0.00 179.97 179.49 1u97 h ASP 34 N -0.02 0.94 -0.06 -3.80 3.58 -1.26 -2.03 116.42 113.77 1u97 h ASP 34 Ca 0.03 -0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.46 1u97 h ASP 34 Cb 0.17 -0.23 -0.00 0.00 1.72 0.00 0.00 39.33 40.99 1u97 h ASP 34 CO -0.00 0.67 0.03 0.74 -2.88 0.00 0.00 179.24 177.80 1u97 h THR 35 N 1.11 1.04 -0.30 2.25 2.02 -1.09 0.12 112.91 118.05 1u97 h THR 35 Ca 0.32 -0.09 0.05 0.00 0.77 0.00 0.00 66.41 67.45 1u97 h THR 35 Cb -0.08 1.00 -0.04 0.00 -1.74 0.00 0.00 68.15 67.28 1u97 h THR 35 CO -0.08 0.03 0.05 0.00 0.37 0.00 0.00 175.52 175.88 1u97 h ILE 37 N 0.15 0.48 -0.01 0.00 2.04 -1.21 0.15 117.51 119.12 1u97 h ILE 37 Ca 0.14 -0.85 -0.21 0.00 1.00 0.00 0.00 64.86 64.94 1u97 h ILE 37 Cb 0.16 1.59 -0.00 0.00 -0.74 0.00 0.00 36.82 37.83 1u97 h ILE 37 CO -0.20 0.16 -0.89 0.25 0.00 0.00 0.00 178.15 177.47 1u97 h LEU 38 N 0.00 0.42 0.00 1.44 5.85 0.60 -2.97 115.31 120.65 1u97 h LEU 38 Ca -0.00 -0.33 0.00 0.00 0.84 0.00 0.00 57.88 58.38 1u97 h LEU 38 Cb 0.58 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.48 1u97 h LEU 38 CO 0.02 1.13 -0.41 0.49 -0.34 0.00 0.00 178.44 179.32 1u97 n PHE 39 N -3.72 0.23 0.33 1.25 3.72 -0.32 -4.74 117.46 114.20 1u97 n PHE 39 Ca -0.05 0.10 -0.14 0.00 -0.05 0.00 0.00 57.45 57.30 1u97 n PHE 39 Cb 0.81 -0.39 -0.07 0.00 -0.94 0.00 0.00 39.48 38.89 1u97 n PHE 39 CO 0.00 0.00 0.00 -0.91 -0.05 0.00 0.00 176.76 175.80 1u97 h ASN 40 N -0.53 -0.74 -4.31 4.37 2.35 -0.91 -3.50 115.58 112.30 1u97 h ASN 40 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1u97 h ASN 40 Cb 0.41 0.19 0.00 0.00 0.05 0.00 0.00 38.32 38.98 1u97 h ASN 40 CO 0.00 -0.37 0.00 0.61 -1.65 0.00 0.00 177.43 176.02 1u97 n GLY 41 N -0.60 1.71 0.01 2.83 0.00 -1.08 -4.85 105.19 103.21 1u97 n GLY 41 Ca -0.12 -1.99 0.10 0.00 0.00 0.00 0.00 46.02 44.01 1u97 n GLY 41 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1u97 n GLN 42 N -1.69 0.58 0.13 1.61 10.64 -1.26 -4.22 117.38 123.17 1u97 n GLN 42 Ca 0.00 -0.16 0.13 0.00 -1.83 0.00 0.00 57.00 55.14 1u97 n GLN 42 Cb 0.00 -1.49 0.33 0.00 -0.86 0.00 0.00 30.24 28.22 1u97 n GLN 42 CO 0.00 0.00 0.00 0.22 -1.83 0.00 0.00 177.06 175.45 1u97 h ASP 43 N 0.00 0.00 -4.15 2.61 1.82 -1.96 -3.46 116.42 111.28 1u97 h ASP 43 Ca 0.00 -0.01 -0.51 0.00 -0.39 0.00 0.00 57.03 56.12 1u97 h ASP 43 Cb 0.88 0.00 0.19 0.00 0.68 0.00 0.00 39.33 41.08 1u97 h ASP 43 CO 0.00 0.00 0.21 -0.55 -1.61 0.00 0.00 179.24 177.29 1u97 s SER 44 N -4.97 2.81 -0.01 2.28 0.15 -1.26 -4.96 113.70 107.74 1u97 s SER 44 Ca 0.09 2.07 0.15 0.00 0.70 0.00 0.00 55.95 58.96 1u97 s SER 44 Cb 0.10 -2.53 -0.19 0.00 -1.71 0.00 0.00 66.02 61.70 1u97 s SER 44 CO 0.62 -3.15 0.51 1.21 1.20 0.00 0.00 173.24 173.63 1u97 n GLU 45 N -4.26 1.50 -0.04 5.44 2.13 -1.26 -4.33 120.64 119.83 1u97 n GLU 45 Ca 0.10 -0.05 0.12 0.00 0.66 0.00 0.00 57.16 57.99 1u97 n GLU 45 Cb 0.52 -1.26 0.26 0.00 0.27 0.00 0.00 31.44 31.24 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 -1.61 2.13 -0.00 5.31 4.76 -1.26 -3.93 118.16 123.55 1u97 n LYS 46 Ca 0.01 -1.66 0.13 0.00 -2.87 0.00 0.00 58.31 53.92 1u97 n LYS 46 Cb 0.29 -1.47 0.27 0.00 -1.84 0.00 0.00 35.03 32.29 1u97 n LYS 46 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1u97 n LYS 48 N 0.88 0.04 0.01 0.00 5.02 -1.25 -3.54 118.16 119.32 1u97 n LYS 48 Ca 0.16 0.11 -0.12 0.00 -2.02 0.00 0.00 58.31 56.44 1u97 n LYS 48 Cb 0.50 -1.55 -0.07 0.00 -0.02 0.00 0.00 35.03 33.89 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 0.00 0.06 -0.76 1.97 4.39 -1.87 -1.54 114.58 116.83 1u97 h GLU 49 Ca 0.00 -0.01 -0.04 0.00 0.34 0.00 0.00 59.36 59.65 1u97 h GLU 49 Cb 0.45 -0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 29.06 1u97 h GLU 49 CO 0.00 0.15 0.30 0.74 -1.16 0.00 0.00 179.01 179.04 1u97 h PHE 50 N -0.05 1.15 0.31 4.33 0.04 -1.87 -1.44 116.94 119.40 1u97 h PHE 50 Ca 0.01 -0.08 -0.01 0.00 2.80 0.00 0.00 57.97 60.69 1u97 h PHE 50 Cb 0.12 -0.34 -0.01 0.00 2.20 0.00 0.00 35.95 37.92 1u97 h PHE 50 CO -0.04 0.87 -0.20 0.82 -0.60 0.00 0.00 178.31 179.17 1u97 h ILE 51 N 1.10 0.59 -0.80 -0.55 2.04 -1.63 -0.86 117.51 117.39 1u97 h ILE 51 Ca 0.25 0.00 0.04 0.00 1.00 0.00 0.00 64.86 66.15 1u97 h ILE 51 Cb 0.21 0.59 -0.05 0.00 -0.74 0.00 0.00 36.82 36.83 1u97 h ILE 51 CO -0.02 0.00 0.53 -0.33 0.00 0.00 0.00 178.15 178.33 1u97 h GLU 52 N -0.49 0.95 -0.57 2.37 4.39 -1.16 -0.82 114.58 119.25 1u97 h GLU 52 Ca -0.03 -0.06 -0.02 0.00 0.34 0.00 0.00 59.36 59.59 1u97 h GLU 52 Cb 0.41 -0.21 -0.03 0.00 -0.10 0.00 0.00 28.75 28.82 1u97 h GLU 52 CO 0.03 0.63 0.28 -0.22 -1.16 0.00 0.00 179.01 178.56 1u97 h LYS 53 N 0.98 0.80 -0.24 2.33 3.64 -0.77 -1.97 116.57 121.33 1u97 h LYS 53 Ca 0.32 -0.10 -0.07 0.00 -1.27 0.00 0.00 60.65 59.54 1u97 h LYS 53 Cb 0.06 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 31.72 1u97 h LYS 53 CO -0.10 0.62 -0.11 -0.92 -2.27 0.00 0.00 179.45 176.67 1u97 h TYR 54 N 0.80 0.58 0.11 1.91 3.20 0.23 -1.07 116.97 122.74 1u97 h TYR 54 Ca 0.20 -0.14 0.01 0.00 3.14 0.00 0.00 58.73 61.94 1u97 h TYR 54 Cb 0.08 -0.13 -0.02 0.00 1.54 0.00 0.00 36.73 38.19 1u97 h TYR 54 CO 0.01 0.76 -0.17 0.87 -1.64 0.00 0.00 178.16 177.99 1u97 h LYS 55 N 0.23 -0.33 -0.35 1.82 1.57 -0.95 -2.08 116.57 116.48 1u97 h LYS 55 Ca 0.06 0.02 -0.07 0.00 -1.87 0.00 0.00 60.65 58.78 1u97 h LYS 55 Cb 0.60 0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.97 1u97 h LYS 55 CO 0.03 -0.22 -0.09 1.05 -0.57 0.00 0.00 179.45 179.65 1u97 h GLU 56 N -0.34 0.59 -0.05 3.15 -0.00 -1.41 -0.53 114.58 116.00 1u97 h GLU 56 Ca 0.02 -0.17 0.03 0.00 -0.00 0.00 0.00 59.36 59.24 1u97 h GLU 56 Cb 0.35 -0.06 -0.04 0.00 -0.00 0.00 0.00 28.75 29.00 1u97 h GLU 56 CO -0.08 0.68 -0.15 0.00 -0.00 0.00 0.00 179.01 179.46 1u97 h MET 58 N -0.22 0.00 -0.56 0.00 2.86 -1.28 -3.13 114.93 112.60 1u97 h MET 58 Ca 0.07 0.00 -0.04 0.00 -2.06 0.00 0.00 59.70 57.67 1u97 h MET 58 Cb 0.31 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 31.95 1u97 h MET 58 CO -0.18 0.50 0.18 -0.22 1.06 0.00 0.00 176.91 178.25 1u97 h LYS 59 N 0.00 0.83 -0.18 1.72 1.63 -0.41 -1.38 116.57 118.78 1u97 h LYS 59 Ca -0.00 -0.15 0.02 0.00 -0.85 0.00 0.00 60.65 59.67 1u97 h LYS 59 Cb 1.10 -0.14 -0.02 0.00 -0.60 0.00 0.00 32.23 32.57 1u97 h LYS 59 CO 0.06 0.71 0.05 0.78 -3.45 0.00 0.00 179.45 177.61 1u97 h GLY 60 N 0.95 0.21 -6.23 5.01 0.00 -1.15 -3.40 103.07 98.46 1u97 h GLY 60 Ca 0.19 -0.03 -0.35 0.00 0.00 0.00 0.00 47.33 47.14 1u97 h GLY 60 CO -0.01 0.01 -0.68 -2.52 0.00 0.00 0.00 176.54 173.34 1u97 s TYR 61 N -6.18 -0.38 0.00 5.60 -0.85 -1.11 -5.02 117.35 109.41 1u97 s TYR 61 Ca -0.13 -0.87 0.00 0.00 -0.52 0.00 0.00 57.07 55.55 1u97 s TYR 61 Cb 0.09 -0.34 0.00 0.00 0.38 0.00 0.00 41.96 42.09 1u97 s TYR 61 CO 0.69 -1.00 0.00 0.41 -1.52 0.00 0.00 175.55 174.13 1u97 n GLY 62 N 4.02 -2.05 3.37 5.49 0.00 -0.56 -2.67 105.19 112.80 1u97 n GLY 62 Ca 0.13 0.69 -0.15 0.00 0.00 0.00 0.00 46.02 46.69 1u97 n GLY 62 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1u97 s PHE 63 N 0.00 -0.41 0.59 1.61 5.36 -0.98 -4.90 117.98 119.25 1u97 s PHE 63 Ca 0.00 0.69 0.42 0.00 -0.96 0.00 0.00 56.93 57.08 1u97 s PHE 63 Cb 0.00 0.24 2.26 0.00 -0.34 0.00 0.00 43.02 45.19 1u97 s PHE 63 CO 0.00 -0.49 2.32 0.93 -1.46 0.00 0.00 175.22 176.52 1u97 h GLU 64 N 3.49 0.00 -6.27 10.12 5.08 -1.88 -3.30 114.58 121.82 1u97 h GLU 64 Ca -0.28 0.00 -0.39 0.00 -1.00 0.00 0.00 59.36 57.69 1u97 h GLU 64 Cb 1.16 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.42 1u97 h GLU 64 CO 0.39 0.00 -0.98 1.55 -1.00 0.00 0.00 179.01 178.97 1u97 n VAL 65 N -3.14 -2.92 1.11 3.13 3.14 -1.26 -4.84 118.33 113.56 1u97 n VAL 65 Ca -0.03 0.02 0.14 0.00 -2.96 0.00 0.00 64.34 61.51 1u97 n VAL 65 Cb 0.10 -2.63 0.58 0.00 -1.06 0.00 0.00 33.84 30.84 1u97 n VAL 65 CO 0.00 0.00 0.00 -0.81 -6.46 0.00 0.00 176.83 169.56 1u97 n PRO 66 N -1.49 0.14 0.00 1.45 -0.04 -1.26 -4.60 135.00 129.20 1u97 n PRO 66 Ca -0.20 -0.02 0.00 0.00 -0.04 0.00 0.00 63.50 63.23 1u97 n PRO 66 Cb 0.59 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.55 1u97 n PRO 66 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1u97 n SER 67 N -1.41 0.00 0.08 3.54 2.88 -1.26 -5.12 113.62 112.33 1u97 n SER 67 Ca 0.09 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.63 1u97 n SER 67 Cb 0.32 -0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.78 1u97 n SER 67 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1u97 n ALA 68 N -1.14 0.00 -0.40 -1.46 0.00 -1.26 -5.22 120.51 111.03 1u97 n ALA 68 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1u97 n ALA 68 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1u97 n ALA 68 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77