#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 1.52 1.20 2.03 -1.04 -1.26 -3.72 114.28 113.01 1u97 n THR 2 Ca 0.00 -0.66 0.14 0.00 -2.04 0.00 0.00 64.05 61.49 1u97 n THR 2 Cb 0.00 -1.23 0.61 0.00 -1.82 0.00 0.00 70.33 67.89 1u97 n THR 2 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1u97 n GLU 3 N -3.17 0.25 0.00 -2.82 4.71 -1.26 -3.00 120.64 115.35 1u97 n GLU 3 Ca -0.39 -0.05 0.08 0.00 -0.01 0.00 0.00 57.16 56.79 1u97 n GLU 3 Cb 1.04 -1.50 0.02 0.00 -1.01 0.00 0.00 31.44 30.00 1u97 n GLU 3 CO 0.00 0.00 0.00 2.41 0.09 0.00 0.00 177.13 179.63 1u97 n THR 4 N -1.34 0.00 0.37 2.62 -1.04 -1.26 -4.30 114.28 109.34 1u97 n THR 4 Ca 0.10 -0.40 0.04 0.00 -2.04 0.00 0.00 64.05 61.75 1u97 n THR 4 Cb 0.30 1.24 -0.00 0.00 -1.82 0.00 0.00 70.33 70.05 1u97 n THR 4 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 1u97 n ASP 5 N 0.27 1.09 0.26 8.00 2.03 -1.18 -4.52 116.55 122.50 1u97 n ASP 5 Ca 0.08 -1.05 0.12 0.00 0.52 0.00 0.00 54.79 54.46 1u97 n ASP 5 Cb 0.36 0.48 0.71 0.00 -0.72 0.00 0.00 41.12 41.95 1u97 n ASP 5 CO 0.00 0.00 0.00 0.07 -1.92 0.00 0.00 177.20 175.35 1u97 h LYS 6 N 0.92 0.00 -6.49 -0.67 2.10 -1.72 -3.43 116.57 107.28 1u97 h LYS 6 Ca 0.00 0.00 -0.44 0.00 -2.00 0.00 0.00 60.65 58.21 1u97 h LYS 6 Cb 0.29 0.00 0.02 0.00 -0.90 0.00 0.00 32.23 31.64 1u97 h LYS 6 CO 0.00 0.12 -0.22 -1.59 -2.00 0.00 0.00 179.45 175.76 1u97 s LYS 7 N -4.30 2.66 0.77 0.07 -2.85 -1.26 -5.13 119.74 109.70 1u97 s LYS 7 Ca -0.03 -1.38 -0.06 0.00 -1.00 0.00 0.00 55.97 53.50 1u97 s LYS 7 Cb 0.14 -2.71 0.16 0.00 -2.06 0.00 0.00 37.83 33.37 1u97 s LYS 7 CO 0.60 -0.45 1.06 1.04 0.10 0.00 0.00 175.35 177.70 1u97 n GLN 8 N -1.96 -0.51 0.00 1.78 6.02 -1.26 -5.05 117.38 116.40 1u97 n GLN 8 Ca 0.10 -2.30 0.00 0.00 -0.01 0.00 0.00 57.00 54.79 1u97 n GLN 8 Cb 0.60 -0.88 0.00 0.00 1.02 0.00 0.00 30.24 30.98 1u97 n GLN 8 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.06 174.14 1u97 n GLU 9 N -3.08 2.67 -2.32 -1.09 0.00 -1.26 -5.09 120.64 110.47 1u97 n GLU 9 Ca 0.15 0.00 -0.03 0.00 0.00 0.00 0.00 57.16 57.28 1u97 n GLU 9 Cb 0.55 -0.98 -0.03 0.00 0.00 0.00 0.00 31.44 30.98 1u97 n GLU 9 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.13 178.17 1u97 n GLN 10 N -2.11 -4.08 -0.11 5.31 6.02 -1.26 -4.99 117.38 116.16 1u97 n GLN 10 Ca 0.00 3.11 -0.13 0.00 -0.01 0.00 0.00 57.00 59.96 1u97 n GLN 10 Cb 0.48 -4.31 -0.14 0.00 1.02 0.00 0.00 30.24 27.29 1u97 n GLN 10 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.06 174.14 1u97 n GLU 11 N 1.48 0.67 -3.66 -1.09 4.07 -1.26 -4.98 120.64 115.88 1u97 n GLU 11 Ca -0.23 0.07 -0.08 0.00 -0.06 0.00 0.00 57.16 56.86 1u97 n GLU 11 Cb 0.36 -1.54 -0.08 0.00 -0.06 0.00 0.00 31.44 30.13 1u97 n GLU 11 CO 0.00 0.00 0.00 1.21 -0.06 0.00 0.00 177.13 178.28 1u97 s ASN 12 N -5.94 -0.82 0.21 4.31 3.84 -1.26 -5.15 114.94 110.14 1u97 s ASN 12 Ca -0.19 1.33 -0.30 0.00 0.21 0.00 0.00 52.86 53.90 1u97 s ASN 12 Cb 0.07 1.29 -0.08 0.00 -0.55 0.00 0.00 41.25 41.98 1u97 s ASN 12 CO 0.74 -0.23 1.01 -2.28 -2.79 0.00 0.00 177.10 173.55 1u97 s HIS 13 N 1.72 3.80 -0.12 0.43 5.65 -1.26 -4.60 115.29 120.91 1u97 s HIS 13 Ca -0.09 1.80 -0.09 0.00 0.25 0.00 0.00 55.06 56.93 1u97 s HIS 13 Cb -0.07 -3.11 0.03 0.00 -1.18 0.00 0.00 32.58 28.26 1u97 s HIS 13 CO -0.18 0.01 0.17 0.00 -0.65 0.00 0.00 174.74 174.10 1u97 n ALA 14 N 1.82 -3.19 -1.19 1.58 0.00 -1.26 -4.97 120.51 113.29 1u97 n ALA 14 Ca -0.00 1.82 -0.30 0.00 0.00 0.00 0.00 53.44 54.95 1u97 n ALA 14 Cb 0.47 -3.71 0.12 0.00 0.00 0.00 0.00 19.45 16.32 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 -0.67 1.74 0.00 0.00 2.02 -1.26 -4.98 118.70 115.55 1u97 s GLU 15 Ca -0.20 1.05 0.00 0.00 0.02 0.00 0.00 54.97 55.84 1u97 s GLU 15 Cb 0.01 -1.85 0.00 0.00 0.10 0.00 0.00 34.13 32.40 1u97 s GLU 15 CO 0.54 -1.97 0.00 0.00 0.02 0.00 0.00 175.26 173.85 1u97 s GLU 17 N 0.00 3.80 -0.01 0.00 2.12 -1.26 -4.94 118.70 118.41 1u97 s GLU 17 Ca 0.00 -0.41 0.09 0.00 0.36 0.00 0.00 54.97 55.01 1u97 s GLU 17 Cb 0.00 -3.38 -0.13 0.00 0.26 0.00 0.00 34.13 30.88 1u97 s GLU 17 CO 0.00 -0.08 0.18 -3.47 -0.54 0.00 0.00 175.26 171.36 1u97 n ASP 18 N 4.63 3.05 -4.76 -1.70 2.03 -1.26 -5.02 116.55 113.52 1u97 n ASP 18 Ca -0.16 0.00 -0.38 0.00 0.52 0.00 0.00 54.79 54.77 1u97 n ASP 18 Cb 0.52 1.38 0.02 0.00 -0.72 0.00 0.00 41.12 42.32 1u97 n ASP 18 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 1u97 s LYS 19 N -2.59 3.37 0.82 -0.67 1.02 -1.26 -5.00 119.74 115.44 1u97 s LYS 19 Ca -0.03 2.10 -0.11 0.00 0.02 0.00 0.00 55.97 57.94 1u97 s LYS 19 Cb 0.05 -2.33 0.08 0.00 -0.52 0.00 0.00 37.83 35.12 1u97 s LYS 19 CO 0.35 -0.96 1.09 -1.25 -0.92 0.00 0.00 175.35 173.66 1u97 s PRO 20 N -2.81 1.89 -0.31 -1.68 0.04 -1.26 -5.05 135.00 125.82 1u97 s PRO 20 Ca 0.68 0.99 -0.00 0.00 0.04 0.00 0.00 61.00 62.71 1u97 s PRO 20 Cb -0.37 -1.87 0.10 0.00 0.04 0.00 0.00 34.50 32.40 1u97 s PRO 20 CO 0.44 -1.85 0.09 0.15 0.04 0.00 0.00 177.00 175.88 1u97 s LYS 21 N -4.94 0.78 0.00 4.56 -0.14 -1.26 -4.97 119.74 113.77 1u97 s LYS 21 Ca 0.62 -1.15 0.13 0.00 -1.36 0.00 0.00 55.97 54.22 1u97 s LYS 21 Cb -0.17 -2.10 0.65 0.00 -1.68 0.00 0.00 37.83 34.52 1u97 s LYS 21 CO 0.56 -0.98 1.37 -0.35 -0.76 0.00 0.00 175.35 175.19 1u97 n PRO 22 N 4.79 0.14 -1.20 -1.68 -0.04 -1.26 -4.98 135.00 130.77 1u97 n PRO 22 Ca -0.01 0.19 0.00 0.00 -0.04 0.00 0.00 63.50 63.63 1u97 n PRO 22 Cb 0.42 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.38 1u97 n PRO 22 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1u97 n VAL 25 N 0.00 0.00 -1.86 0.00 0.24 -1.26 -4.77 118.33 110.68 1u97 n VAL 25 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 1u97 n VAL 25 Cb 0.00 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.37 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 0.00 -0.03 0.00 0.00 1.63 -2.00 -0.80 116.57 115.37 1u97 h LYS 27 Ca 0.00 0.00 -0.18 0.00 -0.85 0.00 0.00 60.65 59.62 1u97 h LYS 27 Cb 0.87 0.01 -0.02 0.00 -0.60 0.00 0.00 32.23 32.48 1u97 h LYS 27 CO 0.00 -0.02 -0.84 -1.35 -3.45 0.00 0.00 179.45 173.80 1u97 h PRO 28 N -0.03 0.04 -0.38 1.90 0.11 -1.94 -3.23 132.00 128.48 1u97 h PRO 28 Ca 0.12 -0.05 -0.05 0.00 0.11 0.00 0.00 66.00 66.13 1u97 h PRO 28 Cb 0.21 0.01 -0.02 0.00 0.11 0.00 0.00 31.00 31.31 1u97 h PRO 28 CO -0.26 0.85 0.04 0.93 -0.21 0.00 0.00 178.00 179.34 1u97 h GLU 29 N 0.02 0.58 -0.40 1.05 3.07 -1.84 -1.73 114.58 115.34 1u97 h GLU 29 Ca -0.02 -0.12 -0.09 0.00 -0.50 0.00 0.00 59.36 58.63 1u97 h GLU 29 Cb 1.47 -0.09 -0.01 0.00 -0.84 0.00 0.00 28.75 29.28 1u97 h GLU 29 CO 0.11 0.58 -0.12 -0.22 -1.40 0.00 0.00 179.01 177.96 1u97 h LYS 30 N 0.56 0.79 -0.25 2.33 3.64 -1.17 -0.99 116.57 121.47 1u97 h LYS 30 Ca 0.12 -0.31 -0.04 0.00 -1.27 0.00 0.00 60.65 59.15 1u97 h LYS 30 Cb 0.30 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.08 1u97 h LYS 30 CO 0.01 0.93 0.01 0.93 -2.27 0.00 0.00 179.45 179.05 1u97 h GLU 31 N 0.60 0.43 -0.69 1.90 4.39 -1.55 -1.99 114.58 117.67 1u97 h GLU 31 Ca 0.10 -0.14 -0.04 0.00 0.34 0.00 0.00 59.36 59.62 1u97 h GLU 31 Cb 0.65 -0.04 -0.03 0.00 -0.10 0.00 0.00 28.75 29.23 1u97 h GLU 31 CO 0.04 0.60 0.26 0.93 -1.16 0.00 0.00 179.01 179.69 1u97 h GLU 32 N 0.21 1.04 0.36 2.33 4.39 -1.31 -1.55 114.58 120.06 1u97 h GLU 32 Ca 0.07 -0.20 -0.02 0.00 0.34 0.00 0.00 59.36 59.56 1u97 h GLU 32 Cb 0.40 -0.16 0.00 0.00 -0.10 0.00 0.00 28.75 28.89 1u97 h GLU 32 CO 0.01 0.87 -0.17 -0.09 -1.16 0.00 0.00 179.01 178.47 1u97 h ARG 33 N 0.99 -0.46 -0.97 2.33 2.43 -1.11 -1.69 114.38 115.90 1u97 h ARG 33 Ca 0.23 0.03 0.09 0.00 -0.81 0.00 0.00 59.98 59.52 1u97 h ARG 33 Cb 0.23 0.11 -0.07 0.00 -0.42 0.00 0.00 29.97 29.82 1u97 h ARG 33 CO -0.02 -0.27 0.62 0.22 -1.51 0.00 0.00 179.97 179.02 1u97 h ASP 34 N -0.55 0.94 0.31 -3.80 3.58 -1.29 -1.79 116.42 113.82 1u97 h ASP 34 Ca -0.05 0.02 -0.01 0.00 0.42 0.00 0.00 57.03 57.41 1u97 h ASP 34 Cb 0.41 -0.18 -0.00 0.00 1.72 0.00 0.00 39.33 41.28 1u97 h ASP 34 CO 0.08 0.57 -0.19 0.74 -2.88 0.00 0.00 179.24 177.56 1u97 h THR 35 N 1.05 0.61 -0.78 2.25 2.02 -1.00 -1.45 112.91 115.60 1u97 h THR 35 Ca 0.44 0.00 0.09 0.00 0.77 0.00 0.00 66.41 67.71 1u97 h THR 35 Cb 0.31 0.61 -0.07 0.00 -1.74 0.00 0.00 68.15 67.25 1u97 h THR 35 CO -0.19 0.00 0.43 0.00 0.37 0.00 0.00 175.52 176.12 1u97 h ILE 37 N 0.72 1.20 -0.46 0.00 2.04 -1.03 0.22 117.51 120.20 1u97 h ILE 37 Ca 0.38 -0.43 -0.09 0.00 1.00 0.00 0.00 64.86 65.72 1u97 h ILE 37 Cb 0.36 -0.17 -0.02 0.00 -0.74 0.00 0.00 36.82 36.26 1u97 h ILE 37 CO -0.25 0.23 -0.06 0.25 0.00 0.00 0.00 178.15 178.32 1u97 h LEU 38 N 1.26 0.78 0.00 1.44 7.12 -0.04 -3.11 115.31 122.77 1u97 h LEU 38 Ca 0.37 -0.21 0.00 0.00 0.13 0.00 0.00 57.88 58.17 1u97 h LEU 38 Cb -0.06 -0.21 0.00 0.00 -0.53 0.00 0.00 40.66 39.86 1u97 h LEU 38 CO -0.10 0.88 0.00 0.49 -0.13 0.00 0.00 178.44 179.58 1u97 n PHE 39 N -4.19 0.00 -1.96 1.25 3.01 -0.57 -4.82 117.46 110.18 1u97 n PHE 39 Ca 0.02 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.48 1u97 n PHE 39 Cb 0.34 -0.35 0.00 0.00 -0.01 0.00 0.00 39.48 39.46 1u97 n PHE 39 CO 0.00 0.00 0.00 0.27 1.01 0.00 0.00 176.76 178.04 1u97 n ASN 40 N -1.54 0.00 0.00 4.37 2.04 -0.46 -5.07 115.26 114.59 1u97 n ASN 40 Ca 0.00 -1.44 0.00 0.00 -0.44 0.00 0.00 54.58 52.70 1u97 n ASN 40 Cb 0.00 -0.09 0.00 0.00 -2.53 0.00 0.00 39.78 37.16 1u97 n ASN 40 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 1u97 n GLY 41 N 0.00 -0.84 5.20 4.83 0.00 0.64 -4.21 105.19 110.81 1u97 n GLY 41 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.99 1u97 n GLY 41 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1u97 n GLN 42 N 0.00 0.00 0.00 1.61 6.02 -1.26 -1.25 117.38 122.51 1u97 n GLN 42 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 1u97 n GLN 42 Cb 0.00 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.26 1u97 n GLN 42 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.06 172.58 1u97 n ASP 43 N 1.87 0.74 -4.54 1.08 2.03 -1.26 -5.09 116.55 111.39 1u97 n ASP 43 Ca 0.00 -0.15 -0.34 0.00 0.52 0.00 0.00 54.79 54.82 1u97 n ASP 43 Cb 0.00 0.45 0.11 0.00 -0.72 0.00 0.00 41.12 40.95 1u97 n ASP 43 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04 1u97 n SER 44 N -0.52 -0.60 -0.97 1.67 2.88 -0.38 -4.85 113.62 110.84 1u97 n SER 44 Ca 0.00 0.51 -0.00 0.00 -1.33 0.00 0.00 58.87 58.05 1u97 n SER 44 Cb 0.00 -1.33 0.09 0.00 -0.75 0.00 0.00 64.21 62.22 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 -2.02 1.81 -0.18 -1.46 1.02 -1.26 -3.48 120.64 115.07 1u97 n GLU 45 Ca 0.10 -0.78 0.06 0.00 -0.02 0.00 0.00 57.16 56.52 1u97 n GLU 45 Cb 0.51 -1.59 0.14 0.00 -0.02 0.00 0.00 31.44 30.48 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 0.14 2.69 0.00 3.49 4.76 -1.26 -4.49 118.16 123.48 1u97 n LYS 46 Ca 0.09 -2.17 0.00 0.00 -2.87 0.00 0.00 58.31 53.36 1u97 n LYS 46 Cb 0.57 -1.37 0.00 0.00 -1.84 0.00 0.00 35.03 32.39 1u97 n LYS 46 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1u97 h LYS 48 N 0.00 0.00 -0.24 0.00 2.10 -1.79 -2.29 116.57 114.35 1u97 h LYS 48 Ca 0.00 0.00 -0.07 0.00 -2.00 0.00 0.00 60.65 58.58 1u97 h LYS 48 Cb 0.08 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.41 1u97 h LYS 48 CO 0.00 0.03 -0.14 1.05 -2.00 0.00 0.00 179.45 178.39 1u97 h GLU 49 N 0.00 0.52 -0.33 0.07 4.11 -1.89 -1.56 114.58 115.50 1u97 h GLU 49 Ca -0.00 -0.24 -0.15 0.00 0.07 0.00 0.00 59.36 59.04 1u97 h GLU 49 Cb 0.13 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.36 1u97 h GLU 49 CO 0.00 0.79 -0.41 0.74 0.07 0.00 0.00 179.01 180.20 1u97 h PHE 50 N 0.23 0.97 0.44 2.06 0.04 -1.77 -1.78 116.94 117.12 1u97 h PHE 50 Ca 0.05 -0.30 -0.02 0.00 2.80 0.00 0.00 57.97 60.50 1u97 h PHE 50 Cb 0.65 -0.20 0.00 0.00 2.20 0.00 0.00 35.95 38.60 1u97 h PHE 50 CO 0.07 1.08 -0.21 0.82 -0.60 0.00 0.00 178.31 179.47 1u97 h ILE 51 N 0.66 0.51 -0.44 -0.55 2.04 -1.45 -0.67 117.51 117.61 1u97 h ILE 51 Ca 0.05 -0.40 0.03 0.00 1.00 0.00 0.00 64.86 65.54 1u97 h ILE 51 Cb 0.98 0.69 -0.03 0.00 -0.74 0.00 0.00 36.82 37.72 1u97 h ILE 51 CO 0.09 0.07 0.24 -0.33 0.00 0.00 0.00 178.15 178.22 1u97 h GLU 52 N -0.84 0.46 -0.54 2.37 4.39 -1.35 -1.31 114.58 117.77 1u97 h GLU 52 Ca -0.06 -0.03 -0.01 0.00 0.34 0.00 0.00 59.36 59.61 1u97 h GLU 52 Cb 0.56 -0.10 -0.03 0.00 -0.10 0.00 0.00 28.75 29.08 1u97 h GLU 52 CO 0.10 0.31 0.31 -0.22 -1.16 0.00 0.00 179.01 178.34 1u97 h LYS 53 N 0.48 0.73 -0.37 2.33 1.63 -1.33 -2.01 116.57 118.03 1u97 h LYS 53 Ca 0.18 -0.07 -0.08 0.00 -0.85 0.00 0.00 60.65 59.84 1u97 h LYS 53 Cb 0.06 -0.15 -0.01 0.00 -0.60 0.00 0.00 32.23 31.52 1u97 h LYS 53 CO -0.11 0.53 -0.07 -0.92 -3.45 0.00 0.00 179.45 175.43 1u97 h TYR 54 N 0.74 0.79 0.13 1.91 3.20 -0.34 -1.45 116.97 121.94 1u97 h TYR 54 Ca 0.19 -0.16 -0.01 0.00 3.14 0.00 0.00 58.73 61.89 1u97 h TYR 54 Cb -0.00 -0.19 0.00 0.00 1.54 0.00 0.00 36.73 38.07 1u97 h TYR 54 CO 0.00 0.84 -0.06 0.87 -1.64 0.00 0.00 178.16 178.17 1u97 h LYS 55 N 0.50 -0.17 -0.69 1.82 1.57 -0.80 -2.12 116.57 116.69 1u97 h LYS 55 Ca 0.10 0.01 -0.03 0.00 -1.87 0.00 0.00 60.65 58.86 1u97 h LYS 55 Cb 0.58 0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.89 1u97 h LYS 55 CO 0.03 -0.05 0.31 1.05 -0.57 0.00 0.00 179.45 180.23 1u97 h GLU 56 N -0.24 0.99 0.40 3.15 4.11 -1.40 -1.35 114.58 120.24 1u97 h GLU 56 Ca -0.02 -0.15 -0.01 0.00 0.07 0.00 0.00 59.36 59.26 1u97 h GLU 56 Cb 0.19 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.25 1u97 h GLU 56 CO 0.03 0.78 -0.33 0.00 0.07 0.00 0.00 179.01 179.57 1u97 h MET 58 N -0.73 0.45 -0.65 0.00 2.86 -1.26 -2.22 114.93 113.38 1u97 h MET 58 Ca -0.04 -0.06 0.00 0.00 -2.06 0.00 0.00 59.70 57.55 1u97 h MET 58 Cb 0.63 -0.08 -0.03 0.00 0.06 0.00 0.00 31.60 32.18 1u97 h MET 58 CO -0.01 0.40 0.42 -0.22 1.06 0.00 0.00 176.91 178.56 1u97 h LYS 59 N 0.45 0.87 0.00 1.72 3.64 -0.76 -1.88 116.57 120.62 1u97 h LYS 59 Ca 0.11 -0.06 -0.06 0.00 -1.27 0.00 0.00 60.65 59.36 1u97 h LYS 59 Cb 0.14 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 31.76 1u97 h LYS 59 CO -0.01 0.59 -0.30 0.78 -2.27 0.00 0.00 179.45 178.24 1u97 h GLY 60 N 0.89 0.00 0.76 5.01 0.00 -0.82 -3.26 103.07 105.66 1u97 h GLY 60 Ca 0.24 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.55 1u97 h GLY 60 CO -0.05 0.00 -0.17 -1.82 0.00 0.00 0.00 176.54 174.50 1u97 h TYR 61 N 0.00 -0.45 0.00 5.60 3.20 -0.77 -3.48 116.97 121.08 1u97 h TYR 61 Ca -0.00 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.86 1u97 h TYR 61 Cb 0.88 0.15 0.00 0.00 1.54 0.00 0.00 36.73 39.30 1u97 h TYR 61 CO 0.00 -0.15 0.00 0.41 -1.64 0.00 0.00 178.16 176.78 1u97 n GLY 62 N -0.61 -0.01 2.98 1.82 0.00 -0.93 -5.02 105.19 103.41 1u97 n GLY 62 Ca -0.10 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.79 1u97 n GLY 62 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1u97 s PHE 63 N 0.00 -0.23 -0.64 1.61 0.08 -1.07 -5.04 117.98 112.69 1u97 s PHE 63 Ca 0.00 0.61 -0.21 0.00 0.12 0.00 0.00 56.93 57.45 1u97 s PHE 63 Cb 0.00 -0.03 0.09 0.00 -0.57 0.00 0.00 43.02 42.51 1u97 s PHE 63 CO 0.00 -0.19 0.86 -2.00 -0.10 0.00 0.00 175.22 173.79 1u97 s GLU 64 N 1.20 3.10 0.33 0.44 2.12 -1.26 -3.79 118.70 120.84 1u97 s GLU 64 Ca -0.09 -1.06 0.00 0.00 0.36 0.00 0.00 54.97 54.18 1u97 s GLU 64 Cb -0.11 -4.26 0.00 0.00 0.26 0.00 0.00 34.13 30.02 1u97 s GLU 64 CO -0.07 -1.71 0.00 0.28 -0.54 0.00 0.00 175.26 173.22 1u97 n VAL 65 N 5.75 -6.05 -1.86 3.70 0.31 -1.26 -4.83 118.33 114.09 1u97 n VAL 65 Ca -0.05 2.49 -0.42 0.00 -0.01 0.00 0.00 64.34 66.35 1u97 n VAL 65 Cb 0.44 -3.44 -0.03 0.00 -0.91 0.00 0.00 33.84 29.90 1u97 n VAL 65 CO 0.00 0.00 0.00 -2.84 -1.32 0.00 0.00 176.83 172.67 1u97 s PRO 66 N -2.16 4.18 0.30 5.55 0.02 -1.26 -4.96 135.00 136.67 1u97 s PRO 66 Ca 0.00 2.42 -0.29 0.00 0.02 0.00 0.00 61.00 63.15 1u97 s PRO 66 Cb 0.00 -3.50 -0.10 0.00 0.02 0.00 0.00 34.50 30.92 1u97 s PRO 66 CO 0.00 -0.75 1.22 -1.54 -0.33 0.00 0.00 177.00 175.61 1u97 s SER 67 N 2.24 6.98 -0.06 2.53 1.04 -1.26 -4.96 113.70 120.21 1u97 s SER 67 Ca 0.75 2.50 -0.08 0.00 0.48 0.00 0.00 55.95 59.60 1u97 s SER 67 Cb -0.43 -2.64 -0.04 0.00 0.10 0.00 0.00 66.02 63.02 1u97 s SER 67 CO 0.33 -0.37 -0.17 0.00 0.98 0.00 0.00 173.24 174.01 1u97 n ALA 68 N 1.07 2.04 -0.48 5.32 0.00 -1.26 -5.28 120.51 121.93 1u97 n ALA 68 Ca -0.00 -0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.02 1u97 n ALA 68 Cb 0.43 0.19 0.00 0.00 0.00 0.00 0.00 19.45 20.07 1u97 n ALA 68 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79