#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 -3.22 2.03 5.66 -1.26 -5.03 114.28 112.46 1u97 n THR 2 Ca 0.00 0.00 -0.02 0.00 -3.05 0.00 0.00 64.05 60.98 1u97 n THR 2 Cb 0.00 -0.04 -0.03 0.00 -1.55 0.00 0.00 70.33 68.71 1u97 n THR 2 CO 0.00 0.00 0.00 -0.70 -3.05 0.00 0.00 175.07 171.32 1u97 s GLU 3 N -0.81 0.49 1.30 1.09 2.56 -1.26 -5.14 118.70 116.94 1u97 s GLU 3 Ca 0.00 0.42 0.00 0.00 0.00 0.00 0.00 54.97 55.39 1u97 s GLU 3 Cb 0.00 0.01 0.00 0.00 2.00 0.00 0.00 34.13 36.14 1u97 s GLU 3 CO 0.00 -0.98 0.00 0.25 -0.56 0.00 0.00 175.26 173.97 1u97 n THR 4 N 5.39 0.00 -3.22 -1.70 -2.24 -1.26 -4.87 114.28 106.39 1u97 n THR 4 Ca 0.02 0.00 -0.01 0.00 -2.27 0.00 0.00 64.05 61.79 1u97 n THR 4 Cb 0.52 0.00 -0.03 0.00 -2.10 0.00 0.00 70.33 68.72 1u97 n THR 4 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1u97 s ASP 5 N -4.00 -0.83 0.00 3.42 2.15 -1.26 -4.92 116.67 111.24 1u97 s ASP 5 Ca 0.00 0.44 0.00 0.00 0.43 0.00 0.00 52.55 53.42 1u97 s ASP 5 Cb 0.00 1.76 0.00 0.00 -0.30 0.00 0.00 42.92 44.38 1u97 s ASP 5 CO 0.00 -0.29 0.53 0.29 -0.17 0.00 0.00 175.17 175.54 1u97 n LYS 6 N 5.40 0.00 -1.66 4.34 4.76 -1.26 -4.85 118.16 124.89 1u97 n LYS 6 Ca -0.00 0.16 -0.18 0.00 -2.87 0.00 0.00 58.31 55.41 1u97 n LYS 6 Cb 0.51 -1.07 -0.07 0.00 -1.84 0.00 0.00 35.03 32.57 1u97 n LYS 6 CO 0.00 0.00 0.00 1.17 -1.37 0.00 0.00 177.40 177.20 1u97 n LYS 7 N -0.99 -1.47 -0.05 1.97 4.81 -1.26 -4.81 118.16 116.37 1u97 n LYS 7 Ca 0.00 1.06 0.08 0.00 -0.87 0.00 0.00 58.31 58.58 1u97 n LYS 7 Cb 0.00 -5.45 0.36 0.00 0.02 0.00 0.00 35.03 29.96 1u97 n LYS 7 CO 0.00 0.00 0.00 1.04 1.17 0.00 0.00 177.40 179.61 1u97 n GLN 8 N -2.33 1.39 -0.04 1.64 6.02 -1.26 -1.95 117.38 120.86 1u97 n GLN 8 Ca -0.19 -0.59 0.03 0.00 -0.01 0.00 0.00 57.00 56.24 1u97 n GLN 8 Cb 0.62 -1.29 0.05 0.00 1.02 0.00 0.00 30.24 30.64 1u97 n GLN 8 CO 0.00 0.00 0.00 -0.85 -1.01 0.00 0.00 177.06 175.20 1u97 n GLU 9 N -0.15 2.45 0.00 -1.09 0.28 -1.26 -4.70 120.64 116.18 1u97 n GLU 9 Ca 0.13 -1.88 0.00 0.00 -0.16 0.00 0.00 57.16 55.25 1u97 n GLU 9 Cb 0.19 -1.18 0.00 0.00 1.43 0.00 0.00 31.44 31.88 1u97 n GLU 9 CO 0.00 0.00 0.00 0.94 -0.16 0.00 0.00 177.13 177.91 1u97 n GLN 10 N -0.76 0.00 -1.95 3.44 -0.06 -1.21 -5.07 117.38 111.77 1u97 n GLN 10 Ca 0.06 0.00 -0.42 0.00 -2.00 0.00 0.00 57.00 54.63 1u97 n GLN 10 Cb 0.39 -0.43 -0.03 0.00 -4.06 0.00 0.00 30.24 26.11 1u97 n GLN 10 CO 0.00 0.00 0.00 -2.00 -0.20 0.00 0.00 177.06 174.86 1u97 s GLU 11 N -1.00 4.15 0.36 3.69 2.12 -0.82 -4.98 118.70 122.22 1u97 s GLU 11 Ca 0.00 2.24 -0.22 0.00 0.36 0.00 0.00 54.97 57.35 1u97 s GLU 11 Cb 0.00 -4.02 -0.10 0.00 0.26 0.00 0.00 34.13 30.27 1u97 s GLU 11 CO 0.00 -0.89 0.90 0.54 -0.54 0.00 0.00 175.26 175.26 1u97 s ASN 12 N 3.60 7.06 0.11 -1.70 4.22 -1.26 -4.96 114.94 122.01 1u97 s ASN 12 Ca 0.76 1.65 -0.11 0.00 -2.14 0.00 0.00 52.86 53.02 1u97 s ASN 12 Cb -0.34 -2.52 -0.06 0.00 1.28 0.00 0.00 41.25 39.60 1u97 s ASN 12 CO 0.31 -0.21 0.47 -1.00 -2.04 0.00 0.00 177.10 174.63 1u97 s HIS 13 N -1.91 3.58 0.44 1.54 3.76 -1.26 -4.92 115.29 116.52 1u97 s HIS 13 Ca 0.55 0.89 0.00 0.00 -0.15 0.00 0.00 55.06 56.36 1u97 s HIS 13 Cb -0.13 -2.24 0.00 0.00 1.11 0.00 0.00 32.58 31.32 1u97 s HIS 13 CO 0.18 0.47 0.00 0.00 -0.85 0.00 0.00 174.74 174.54 1u97 n ALA 14 N 0.80 0.01 -3.69 -1.40 0.00 -1.26 -5.16 120.51 109.81 1u97 n ALA 14 Ca -0.06 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.18 1u97 n ALA 14 Cb 0.52 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.98 1u97 n ALA 14 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1u97 n GLU 15 N -3.38 0.89 -2.65 0.00 1.02 -1.26 -5.10 120.64 110.15 1u97 n GLU 15 Ca 0.00 -2.43 -0.39 0.00 -0.02 0.00 0.00 57.16 54.32 1u97 n GLU 15 Cb 0.00 0.21 -0.05 0.00 -0.02 0.00 0.00 31.44 31.58 1u97 n GLU 15 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1u97 n GLU 17 N 1.08 0.28 0.13 0.00 -0.00 -1.26 -4.77 120.64 116.09 1u97 n GLU 17 Ca -0.00 -0.47 -0.02 0.00 -0.00 0.00 0.00 57.16 56.67 1u97 n GLU 17 Cb 0.47 -0.66 0.13 0.00 -0.00 0.00 0.00 31.44 31.39 1u97 n GLU 17 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.13 177.51 1u97 h ASP 18 N 0.00 0.00 -2.91 -1.84 2.03 -2.07 -3.36 116.42 108.27 1u97 h ASP 18 Ca 0.00 0.00 -0.62 0.00 -0.73 0.00 0.00 57.03 55.68 1u97 h ASP 18 Cb 0.58 0.00 -0.42 0.00 -0.83 0.00 0.00 39.33 38.66 1u97 h ASP 18 CO 0.00 0.66 -0.57 2.29 -1.03 0.00 0.00 179.24 180.59 1u97 n LYS 19 N -3.73 1.98 -2.51 4.15 2.85 -1.26 -5.07 118.16 114.56 1u97 n LYS 19 Ca -0.01 -4.53 -0.43 0.00 -1.05 0.00 0.00 58.31 52.29 1u97 n LYS 19 Cb 0.66 -2.28 -0.02 0.00 -0.65 0.00 0.00 35.03 32.74 1u97 n LYS 19 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 177.40 176.10 1u97 s PRO 20 N -1.68 4.09 -0.40 -1.58 0.04 -1.26 -4.90 135.00 129.31 1u97 s PRO 20 Ca 0.28 1.32 0.00 0.00 0.04 0.00 0.00 61.00 62.65 1u97 s PRO 20 Cb -0.00 -3.78 0.25 0.00 0.04 0.00 0.00 34.50 31.01 1u97 s PRO 20 CO -0.14 -0.89 1.07 1.17 0.04 0.00 0.00 177.00 178.25 1u97 n LYS 21 N 6.87 0.36 -2.61 4.56 4.81 -1.26 -5.11 118.16 125.79 1u97 n LYS 21 Ca 0.13 -1.14 -0.41 0.00 -0.87 0.00 0.00 58.31 56.02 1u97 n LYS 21 Cb 0.46 -0.66 -0.03 0.00 0.02 0.00 0.00 35.03 34.82 1u97 n LYS 21 CO 0.00 0.00 0.00 -1.25 1.17 0.00 0.00 177.40 177.32 1u97 s PRO 22 N 0.47 3.40 -0.36 1.64 0.04 -1.26 -4.77 135.00 134.15 1u97 s PRO 22 Ca 0.28 -0.80 0.14 0.00 0.04 0.00 0.00 61.00 60.66 1u97 s PRO 22 Cb 0.19 -4.77 0.42 0.00 0.04 0.00 0.00 34.50 30.37 1u97 s PRO 22 CO -0.13 -2.12 1.06 0.00 0.04 0.00 0.00 177.00 175.84 1u97 s VAL 25 N -0.62 2.33 -0.00 0.00 1.01 -1.26 -5.00 120.40 116.85 1u97 s VAL 25 Ca -0.19 -1.73 0.00 0.00 0.00 0.00 0.00 61.98 60.06 1u97 s VAL 25 Cb 0.01 -2.04 0.00 0.00 0.00 0.00 0.00 36.38 34.36 1u97 s VAL 25 CO 0.51 0.09 0.30 0.00 0.00 0.00 0.00 175.10 176.00 1u97 h LYS 27 N 0.01 0.18 -0.47 0.00 1.57 -1.99 0.24 116.57 116.12 1u97 h LYS 27 Ca -0.16 -0.02 -0.11 0.00 -1.87 0.00 0.00 60.65 58.49 1u97 h LYS 27 Cb 0.77 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 33.02 1u97 h LYS 27 CO -0.08 0.16 -0.16 -1.35 -0.57 0.00 0.00 179.45 177.45 1u97 h PRO 28 N 0.15 0.91 -0.52 3.15 0.11 -1.99 -2.22 132.00 131.58 1u97 h PRO 28 Ca 0.05 -0.35 -0.07 0.00 0.11 0.00 0.00 66.00 65.74 1u97 h PRO 28 Cb 0.03 -0.05 -0.02 0.00 0.11 0.00 0.00 31.00 31.06 1u97 h PRO 28 CO -0.01 1.00 0.03 0.93 -0.21 0.00 0.00 178.00 179.74 1u97 h GLU 29 N 0.80 0.86 -0.02 1.05 3.07 -1.92 -1.90 114.58 116.52 1u97 h GLU 29 Ca 0.12 -0.23 -0.13 0.00 -0.50 0.00 0.00 59.36 58.62 1u97 h GLU 29 Cb 0.70 -0.10 -0.02 0.00 -0.84 0.00 0.00 28.75 28.49 1u97 h GLU 29 CO 0.05 0.84 -0.60 -0.22 -1.40 0.00 0.00 179.01 177.68 1u97 h LYS 30 N 0.80 0.08 -0.05 2.33 1.63 -0.81 -1.89 116.57 118.67 1u97 h LYS 30 Ca 0.16 -0.06 -0.02 0.00 -0.85 0.00 0.00 60.65 59.88 1u97 h LYS 30 Cb 0.44 0.01 -0.00 0.00 -0.60 0.00 0.00 32.23 32.08 1u97 h LYS 30 CO 0.02 0.66 -0.06 1.49 -3.45 0.00 0.00 179.45 178.11 1u97 h GLU 31 N 0.06 0.12 -0.33 1.90 4.81 -1.04 -1.76 114.58 118.35 1u97 h GLU 31 Ca -0.01 -0.07 -0.03 0.00 -0.13 0.00 0.00 59.36 59.12 1u97 h GLU 31 Cb 1.08 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.45 1u97 h GLU 31 CO 0.08 0.59 0.07 0.93 -0.73 0.00 0.00 179.01 179.96 1u97 h GLU 32 N -0.34 0.53 0.45 1.92 5.08 -1.37 -1.96 114.58 118.89 1u97 h GLU 32 Ca 0.01 -0.13 -0.02 0.00 -1.00 0.00 0.00 59.36 58.22 1u97 h GLU 32 Cb 0.58 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.76 1u97 h GLU 32 CO 0.01 0.59 -0.22 -0.09 -1.00 0.00 0.00 179.01 178.31 1u97 h ARG 33 N 0.37 -0.58 0.10 2.33 2.43 -1.40 -1.48 114.38 116.14 1u97 h ARG 33 Ca 0.10 0.04 0.02 0.00 -0.81 0.00 0.00 59.98 59.33 1u97 h ARG 33 Cb 0.31 0.13 -0.05 0.00 -0.42 0.00 0.00 29.97 29.94 1u97 h ARG 33 CO 0.00 -0.38 -0.39 0.22 -1.51 0.00 0.00 179.97 177.92 1u97 h ASP 34 N -0.63 -1.15 -0.83 -3.80 3.58 -1.32 -1.71 116.42 110.56 1u97 h ASP 34 Ca -0.06 0.13 0.16 0.00 0.42 0.00 0.00 57.03 57.68 1u97 h ASP 34 Cb 0.47 0.44 -0.10 0.00 1.72 0.00 0.00 39.33 41.86 1u97 h ASP 34 CO 0.10 -0.46 0.39 0.74 -2.88 0.00 0.00 179.24 177.12 1u97 h THR 35 N -0.61 0.64 0.16 2.25 2.02 -1.34 -1.62 112.91 114.42 1u97 h THR 35 Ca 0.03 -0.18 0.01 0.00 0.77 0.00 0.00 66.41 67.04 1u97 h THR 35 Cb 0.65 0.08 -0.02 0.00 -1.74 0.00 0.00 68.15 67.12 1u97 h THR 35 CO -0.24 0.09 -0.22 0.00 0.37 0.00 0.00 175.52 175.52 1u97 h ILE 37 N -0.43 0.90 -0.09 0.00 5.03 -0.48 0.44 117.51 122.87 1u97 h ILE 37 Ca 0.01 -0.27 -0.05 0.00 -0.12 0.00 0.00 64.86 64.43 1u97 h ILE 37 Cb 0.43 0.03 -0.01 0.00 -3.03 0.00 0.00 36.82 34.24 1u97 h ILE 37 CO -0.09 0.15 -0.19 -0.07 -0.68 0.00 0.00 178.15 177.27 1u97 h LEU 38 N 0.80 0.14 0.00 1.44 -0.00 -0.86 -3.00 115.31 113.83 1u97 h LEU 38 Ca 0.41 -0.03 0.00 0.00 -0.00 0.00 0.00 57.88 58.26 1u97 h LEU 38 Cb 0.40 -0.04 0.00 0.00 -0.00 0.00 0.00 40.66 41.02 1u97 h LEU 38 CO -0.26 0.35 0.00 0.49 -0.00 0.00 0.00 178.44 179.02 1u97 n PHE 39 N -4.25 0.00 -1.54 1.13 3.72 -0.03 -4.86 117.46 111.63 1u97 n PHE 39 Ca -0.01 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.39 1u97 n PHE 39 Cb 0.29 -0.47 0.00 0.00 -0.94 0.00 0.00 39.48 38.37 1u97 n PHE 39 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 176.76 176.98 1u97 n ASN 40 N -1.90 0.00 -0.47 4.37 2.04 -0.51 -4.88 115.26 113.91 1u97 n ASN 40 Ca 0.00 -1.00 0.00 0.00 -0.44 0.00 0.00 54.58 53.14 1u97 n ASN 40 Cb 0.00 0.00 0.00 0.00 -2.53 0.00 0.00 39.78 37.25 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 1.32 0.09 4.83 0.00 -0.19 -3.18 105.19 108.07 1u97 n GLY 41 Ca 0.00 -0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.88 1u97 n GLY 41 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 1u97 h GLN 42 N 0.01 0.18 0.00 1.61 4.15 -1.78 -3.40 115.11 115.89 1u97 h GLN 42 Ca 0.00 -0.10 0.00 0.00 0.77 0.00 0.00 58.65 59.32 1u97 h GLN 42 Cb 0.47 0.01 0.00 0.00 0.21 0.00 0.00 27.48 28.17 1u97 h GLN 42 CO 0.00 0.66 0.00 -0.40 -1.93 0.00 0.00 178.83 177.16 1u97 n ASP 43 N -4.68 0.06 -4.76 -0.69 5.75 -1.25 -5.06 116.55 105.92 1u97 n ASP 43 Ca -0.08 -0.37 -0.40 0.00 -0.01 0.00 0.00 54.79 53.93 1u97 n ASP 43 Cb 0.33 0.53 -0.04 0.00 -1.03 0.00 0.00 41.12 40.91 1u97 n ASP 43 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 1u97 s SER 44 N -0.53 7.13 -0.07 -1.12 0.15 -1.19 -4.94 113.70 113.14 1u97 s SER 44 Ca 0.00 2.37 0.18 0.00 0.70 0.00 0.00 55.95 59.20 1u97 s SER 44 Cb 0.00 -2.63 0.60 0.00 -1.71 0.00 0.00 66.02 62.28 1u97 s SER 44 CO 0.00 -0.26 1.51 -0.62 1.20 0.00 0.00 173.24 175.07 1u97 n GLU 45 N 1.22 3.23 -0.48 5.44 -0.58 -1.26 -4.32 120.64 123.89 1u97 n GLU 45 Ca -0.00 -2.65 0.06 0.00 -0.42 0.00 0.00 57.16 54.15 1u97 n GLU 45 Cb 0.44 -1.67 0.26 0.00 -0.57 0.00 0.00 31.44 29.90 1u97 n GLU 45 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 1u97 n LYS 46 N 0.98 3.09 -0.33 3.49 5.02 -1.26 -3.90 118.16 125.25 1u97 n LYS 46 Ca 0.22 -2.08 0.08 0.00 -2.02 0.00 0.00 58.31 54.51 1u97 n LYS 46 Cb 0.72 -1.77 0.15 0.00 -0.02 0.00 0.00 35.03 34.11 1u97 n LYS 46 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1u97 n LYS 48 N -1.16 0.00 -0.05 0.00 4.76 -1.25 -2.75 118.16 117.72 1u97 n LYS 48 Ca 0.15 0.30 -0.13 0.00 -2.87 0.00 0.00 58.31 55.77 1u97 n LYS 48 Cb 0.68 -1.50 -0.07 0.00 -1.84 0.00 0.00 35.03 32.30 1u97 n LYS 48 CO 0.00 0.00 0.00 0.93 -1.37 0.00 0.00 177.40 176.96 1u97 h GLU 49 N 0.00 0.27 -0.41 1.97 5.08 -1.92 -1.87 114.58 117.70 1u97 h GLU 49 Ca 0.00 -0.12 -0.10 0.00 -1.00 0.00 0.00 59.36 58.14 1u97 h GLU 49 Cb 0.20 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.43 1u97 h GLU 49 CO 0.00 0.61 -0.15 0.74 -1.00 0.00 0.00 179.01 179.21 1u97 h PHE 50 N -0.08 0.85 0.01 4.33 0.04 -1.91 -1.65 116.94 118.53 1u97 h PHE 50 Ca 0.03 -0.17 -0.00 0.00 2.80 0.00 0.00 57.97 60.63 1u97 h PHE 50 Cb 0.54 -0.21 0.00 0.00 2.20 0.00 0.00 35.95 38.47 1u97 h PHE 50 CO 0.07 0.86 -0.00 0.82 -0.60 0.00 0.00 178.31 179.46 1u97 h ILE 51 N 0.68 1.21 -0.50 -0.55 2.04 -1.60 -1.17 117.51 117.62 1u97 h ILE 51 Ca 0.11 -0.65 -0.02 0.00 1.00 0.00 0.00 64.86 65.29 1u97 h ILE 51 Cb 0.64 1.65 -0.02 0.00 -0.74 0.00 0.00 36.82 38.35 1u97 h ILE 51 CO 0.04 0.17 0.22 -0.33 0.00 0.00 0.00 178.15 178.25 1u97 h GLU 52 N -0.29 0.74 -0.79 2.37 4.39 -1.32 -0.36 114.58 119.32 1u97 h GLU 52 Ca -0.00 -0.12 -0.02 0.00 0.34 0.00 0.00 59.36 59.56 1u97 h GLU 52 Cb 0.28 -0.13 -0.04 0.00 -0.10 0.00 0.00 28.75 28.77 1u97 h GLU 52 CO 0.00 0.64 0.41 -0.22 -1.16 0.00 0.00 179.01 178.68 1u97 h LYS 53 N 0.67 1.11 -0.31 2.33 3.64 -1.28 -0.68 116.57 122.05 1u97 h LYS 53 Ca 0.17 -0.14 -0.14 0.00 -1.27 0.00 0.00 60.65 59.27 1u97 h LYS 53 Cb 0.16 -0.21 -0.00 0.00 -0.41 0.00 0.00 32.23 31.76 1u97 h LYS 53 CO -0.02 0.83 -0.37 -0.92 -2.27 0.00 0.00 179.45 176.71 1u97 h TYR 54 N 1.11 0.97 -0.46 1.91 3.20 -0.91 -1.05 116.97 121.75 1u97 h TYR 54 Ca 0.28 -0.30 -0.03 0.00 3.14 0.00 0.00 58.73 61.81 1u97 h TYR 54 Cb 0.06 -0.20 -0.02 0.00 1.54 0.00 0.00 36.73 38.11 1u97 h TYR 54 CO 0.01 1.09 0.17 -0.22 -1.64 0.00 0.00 178.16 177.57 1u97 h LYS 55 N 0.57 0.70 -0.22 1.82 3.64 -0.73 -2.09 116.57 120.25 1u97 h LYS 55 Ca 0.04 -0.14 -0.13 0.00 -1.27 0.00 0.00 60.65 59.15 1u97 h LYS 55 Cb 0.95 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.66 1u97 h LYS 55 CO 0.09 0.65 -0.43 0.93 -2.27 0.00 0.00 179.45 178.42 1u97 h GLU 56 N 0.60 0.53 0.51 1.90 5.08 -1.13 -1.43 114.58 120.63 1u97 h GLU 56 Ca 0.15 -0.28 -0.03 0.00 -1.00 0.00 0.00 59.36 58.21 1u97 h GLU 56 Cb 0.23 0.01 0.01 0.00 0.50 0.00 0.00 28.75 29.49 1u97 h GLU 56 CO -0.01 0.86 -0.25 0.00 -1.00 0.00 0.00 179.01 178.62 1u97 h MET 58 N -0.69 1.02 0.00 0.00 1.85 -1.41 -2.33 114.93 113.37 1u97 h MET 58 Ca -0.07 -0.31 -0.02 0.00 -0.61 0.00 0.00 59.70 58.70 1u97 h MET 58 Cb 0.53 -0.10 -0.00 0.00 0.43 0.00 0.00 31.60 32.45 1u97 h MET 58 CO 0.12 0.99 -0.09 -0.22 -0.40 0.00 0.00 176.91 177.31 1u97 h LYS 59 N 0.94 0.00 0.19 0.39 1.63 -1.12 -3.09 116.57 115.50 1u97 h LYS 59 Ca 0.17 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.97 1u97 h LYS 59 Cb 0.52 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 32.14 1u97 h LYS 59 CO 0.03 0.09 -0.16 0.78 -3.45 0.00 0.00 179.45 176.73 1u97 h GLY 60 N 1.46 -0.36 2.00 5.01 0.00 -0.02 -1.63 103.07 109.53 1u97 h GLY 60 Ca -0.00 0.19 0.00 0.00 0.00 0.00 0.00 47.33 47.51 1u97 h GLY 60 CO 0.01 -0.16 0.00 -1.72 0.00 0.00 0.00 176.54 174.67 1u97 n TYR 61 N -5.29 0.87 -0.40 5.60 4.02 -1.18 -4.91 117.16 115.87 1u97 n TYR 61 Ca -0.08 0.34 0.00 0.00 -0.01 0.00 0.00 57.90 58.15 1u97 n TYR 61 Cb 0.20 -1.04 0.00 0.00 -0.02 0.00 0.00 39.34 38.48 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 0.08 0.45 2.89 2.72 0.00 -0.61 -4.88 105.19 105.84 1u97 n GLY 62 Ca 0.02 -0.56 -0.10 0.00 0.00 0.00 0.00 46.02 45.38 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 -1.50 -0.83 0.60 1.61 2.19 -1.18 -5.01 117.98 113.86 1u97 s PHE 63 Ca 0.00 0.50 -0.19 0.00 0.33 0.00 0.00 56.93 57.58 1u97 s PHE 63 Cb 0.00 -0.12 -0.04 0.00 -1.31 0.00 0.00 43.02 41.55 1u97 s PHE 63 CO 0.00 -0.84 1.08 -1.91 1.83 0.00 0.00 175.22 175.38 1u97 n GLU 64 N 5.35 1.04 -3.74 10.12 4.07 -1.26 -4.24 120.64 131.99 1u97 n GLU 64 Ca -0.02 0.40 -0.34 0.00 -0.06 0.00 0.00 57.16 57.14 1u97 n GLU 64 Cb 0.49 -2.28 -0.09 0.00 -0.06 0.00 0.00 31.44 29.50 1u97 n GLU 64 CO 0.00 0.00 0.00 0.54 -0.06 0.00 0.00 177.13 177.61 1u97 s VAL 65 N -1.45 3.77 -2.14 6.31 0.11 -1.26 -4.85 120.40 120.88 1u97 s VAL 65 Ca 0.76 -3.73 0.28 0.00 -2.93 0.00 0.00 61.98 56.37 1u97 s VAL 65 Cb -0.41 -3.40 0.50 0.00 -1.53 0.00 0.00 36.38 31.54 1u97 s VAL 65 CO 0.46 -1.00 1.77 -0.81 -3.33 0.00 0.00 175.10 172.19 1u97 n PRO 66 N 2.55 1.25 0.16 1.54 -0.04 -1.26 -3.86 135.00 135.35 1u97 n PRO 66 Ca 0.17 -0.64 0.03 0.00 -0.04 0.00 0.00 63.50 63.01 1u97 n PRO 66 Cb 0.36 -1.49 0.25 0.00 -0.04 0.00 0.00 33.50 32.59 1u97 n PRO 66 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1u97 h SER 67 N 1.56 0.00 -3.15 3.54 0.87 -2.02 -3.40 113.55 110.95 1u97 h SER 67 Ca 0.00 0.00 -0.64 0.00 -1.23 0.00 0.00 61.79 59.92 1u97 h SER 67 Cb 0.43 0.00 -0.15 0.00 -0.44 0.00 0.00 62.40 62.24 1u97 h SER 67 CO 0.00 0.49 0.37 0.00 -0.53 0.00 0.00 176.83 177.16 1u97 s ALA 68 N -3.57 3.24 -2.74 6.23 0.00 -1.25 -5.34 121.76 118.32 1u97 s ALA 68 Ca -0.00 -1.50 0.26 0.00 0.00 0.00 0.00 51.96 50.71 1u97 s ALA 68 Cb 0.11 -3.61 0.63 0.00 0.00 0.00 0.00 23.12 20.26 1u97 s ALA 68 CO 0.72 -2.29 1.51 -1.71 0.00 0.00 0.00 175.76 173.98