#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 -3.70 1.12 5.66 -1.26 -4.90 114.28 111.20 1u97 n THR 2 Ca 0.00 -0.33 -0.25 0.00 -3.05 0.00 0.00 64.05 60.41 1u97 n THR 2 Cb 0.00 0.97 -0.17 0.00 -1.55 0.00 0.00 70.33 69.58 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 -1.67 0.41 0.45 1.09 2.56 -1.26 -5.08 118.70 115.20 1u97 s GLU 3 Ca 0.02 -0.13 0.00 0.00 0.00 0.00 0.00 54.97 54.86 1u97 s GLU 3 Cb 0.05 -1.63 0.00 0.00 2.00 0.00 0.00 34.13 34.55 1u97 s GLU 3 CO 0.27 -0.55 0.00 2.41 -0.56 0.00 0.00 175.26 176.84 1u97 n THR 4 N 5.16 -3.73 -1.15 -1.70 -1.04 -1.26 -5.02 114.28 105.54 1u97 n THR 4 Ca -0.07 1.68 0.10 0.00 -2.04 0.00 0.00 64.05 63.72 1u97 n THR 4 Cb 0.49 -2.44 -0.05 0.00 -1.82 0.00 0.00 70.33 66.50 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 -1.47 -6.24 -4.33 8.00 2.03 -1.26 -3.75 116.55 109.53 1u97 n ASP 5 Ca 0.00 1.24 -0.17 0.00 0.52 0.00 0.00 54.79 56.37 1u97 n ASP 5 Cb 0.15 -3.84 -0.10 0.00 -0.72 0.00 0.00 41.12 36.60 1u97 n ASP 5 CO 0.00 0.00 0.00 -1.59 -1.92 0.00 0.00 177.20 173.69 1u97 s LYS 6 N -4.33 1.28 0.00 -0.67 -2.85 -1.26 -4.32 119.74 107.59 1u97 s LYS 6 Ca 0.00 -1.60 0.26 0.00 -1.00 0.00 0.00 55.97 53.63 1u97 s LYS 6 Cb 0.00 -0.86 0.62 0.00 -2.06 0.00 0.00 37.83 35.53 1u97 s LYS 6 CO 0.00 0.07 1.48 0.36 0.10 0.00 0.00 175.35 177.36 1u97 n LYS 7 N -0.36 0.81 -2.19 1.78 2.85 -1.26 -4.93 118.16 114.86 1u97 n LYS 7 Ca -0.08 -0.52 -0.36 0.00 -1.05 0.00 0.00 58.31 56.31 1u97 n LYS 7 Cb 0.62 -1.49 0.01 0.00 -0.65 0.00 0.00 35.03 33.51 1u97 n LYS 7 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 177.40 176.70 1u97 s GLN 8 N -2.54 3.41 -0.31 -1.58 1.11 -1.26 -5.02 119.66 113.46 1u97 s GLN 8 Ca 0.22 1.73 0.02 0.00 0.01 0.00 0.00 55.36 57.34 1u97 s GLN 8 Cb 0.19 -2.13 0.09 0.00 -1.01 0.00 0.00 33.01 30.15 1u97 s GLN 8 CO 0.55 -0.83 0.04 -2.00 0.01 0.00 0.00 175.29 173.05 1u97 s GLU 9 N -3.09 1.29 -0.28 2.91 2.12 -1.26 -5.05 118.70 115.34 1u97 s GLU 9 Ca 0.71 -1.43 -0.18 0.00 0.36 0.00 0.00 54.97 54.43 1u97 s GLU 9 Cb -0.27 -2.69 0.09 0.00 0.26 0.00 0.00 34.13 31.52 1u97 s GLU 9 CO 0.31 -0.88 0.76 -1.14 -0.54 0.00 0.00 175.26 173.78 1u97 s GLN 10 N 1.23 0.66 -1.87 4.30 0.74 -1.26 -4.91 119.66 118.54 1u97 s GLN 10 Ca 0.07 1.06 0.00 0.00 0.05 0.00 0.00 55.36 56.54 1u97 s GLN 10 Cb -0.18 0.17 0.00 0.00 1.10 0.00 0.00 33.01 34.10 1u97 s GLN 10 CO -0.13 -0.13 0.00 0.39 -0.55 0.00 0.00 175.29 174.87 1u97 n GLU 11 N 3.87 -1.49 0.22 1.67 -0.58 -1.26 -4.82 120.64 118.25 1u97 n GLU 11 Ca -0.19 1.05 0.06 0.00 -0.42 0.00 0.00 57.16 57.66 1u97 n GLU 11 Cb 0.58 -5.45 0.49 0.00 -0.57 0.00 0.00 31.44 26.49 1u97 n GLU 11 CO 0.00 0.00 0.00 -0.97 -0.48 0.00 0.00 177.13 175.68 1u97 h ASN 12 N 0.00 0.00 -3.60 1.62 -0.73 -1.97 -3.44 115.58 107.46 1u97 h ASN 12 Ca -0.39 0.00 -0.04 0.00 1.87 0.00 0.00 56.30 57.75 1u97 h ASN 12 Cb 1.22 0.00 0.01 0.00 0.27 0.00 0.00 38.32 39.82 1u97 h ASN 12 CO 0.54 0.24 0.01 0.00 -0.37 0.00 0.00 177.43 177.85 1u97 n HIS 13 N -4.09 -3.26 -1.51 0.67 1.44 -1.26 -4.49 115.22 102.73 1u97 n HIS 13 Ca -0.02 -0.14 -0.18 0.00 -2.01 0.00 0.00 57.72 55.37 1u97 n HIS 13 Cb 0.31 -0.05 -0.08 0.00 0.12 0.00 0.00 29.99 30.29 1u97 n HIS 13 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1u97 n ALA 14 N -2.98 -0.27 -2.25 1.59 0.00 -1.26 -4.90 120.51 110.44 1u97 n ALA 14 Ca -0.01 0.28 -0.43 0.00 0.00 0.00 0.00 53.44 53.28 1u97 n ALA 14 Cb 0.05 -1.94 -0.02 0.00 0.00 0.00 0.00 19.45 17.53 1u97 n ALA 14 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1u97 s GLU 15 N -3.48 3.80 0.18 0.00 2.56 -1.26 -5.00 118.70 115.49 1u97 s GLU 15 Ca 0.00 1.42 0.06 0.00 0.00 0.00 0.00 54.97 56.45 1u97 s GLU 15 Cb 0.00 -3.98 -0.04 0.00 2.00 0.00 0.00 34.13 32.11 1u97 s GLU 15 CO 0.00 -1.28 0.07 0.00 -0.56 0.00 0.00 175.26 173.49 1u97 n GLU 17 N -0.32 -4.73 -3.14 0.00 1.02 -1.26 -5.04 120.64 107.17 1u97 n GLU 17 Ca -0.09 3.52 -0.18 0.00 -0.02 0.00 0.00 57.16 60.40 1u97 n GLU 17 Cb 0.55 -4.92 0.00 0.00 -0.02 0.00 0.00 31.44 27.06 1u97 n GLU 17 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1u97 s ASP 18 N -0.64 5.66 -0.30 1.62 1.01 -1.26 -5.07 116.67 117.70 1u97 s ASP 18 Ca -0.22 -0.41 -0.28 0.00 0.71 0.00 0.00 52.55 52.36 1u97 s ASP 18 Cb 0.01 -0.75 0.01 0.00 1.01 0.00 0.00 42.92 43.20 1u97 s ASP 18 CO 0.58 -0.69 1.01 -0.75 0.21 0.00 0.00 175.17 175.54 1u97 s LYS 19 N -4.30 4.09 1.23 8.23 2.36 -1.26 -5.04 119.74 125.05 1u97 s LYS 19 Ca 0.53 1.04 -0.21 0.00 -2.55 0.00 0.00 55.97 54.78 1u97 s LYS 19 Cb -0.09 -3.72 0.31 0.00 -1.05 0.00 0.00 37.83 33.28 1u97 s LYS 19 CO 0.32 -0.80 0.93 -0.35 1.55 0.00 0.00 175.35 177.00 1u97 n PRO 20 N 6.63 -3.66 -3.40 4.03 -0.04 -1.26 -5.05 135.00 132.25 1u97 n PRO 20 Ca 0.10 -1.51 -0.27 0.00 -0.04 0.00 0.00 63.50 61.78 1u97 n PRO 20 Cb 0.47 -1.61 -0.10 0.00 -0.04 0.00 0.00 33.50 32.22 1u97 n PRO 20 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 1u97 s LYS 21 N -5.15 0.79 0.00 0.54 1.02 -1.26 -4.98 119.74 110.69 1u97 s LYS 21 Ca 0.64 -1.83 0.00 0.00 0.02 0.00 0.00 55.97 54.80 1u97 s LYS 21 Cb -0.08 -1.34 0.00 0.00 -0.52 0.00 0.00 37.83 35.89 1u97 s LYS 21 CO 0.51 -1.33 1.01 -2.30 -0.92 0.00 0.00 175.35 172.32 1u97 n PRO 22 N 3.24 0.96 0.15 -1.68 -0.02 -1.26 -4.40 135.00 131.98 1u97 n PRO 22 Ca 0.24 0.00 -0.14 0.00 -2.02 0.00 0.00 63.50 61.58 1u97 n PRO 22 Cb 0.45 -1.02 -0.06 0.00 -0.02 0.00 0.00 33.50 32.84 1u97 n PRO 22 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1u97 n VAL 25 N -0.51 0.00 -3.19 0.00 0.24 -1.26 -4.86 118.33 108.75 1u97 n VAL 25 Ca 0.06 0.00 0.01 0.00 -2.04 0.00 0.00 64.34 62.37 1u97 n VAL 25 Cb 0.48 0.00 -0.02 0.00 -1.47 0.00 0.00 33.84 32.84 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 8.04 0.13 -0.17 0.00 1.63 -2.00 -3.29 116.57 120.92 1u97 h LYS 27 Ca -0.09 -0.10 0.04 0.00 -0.85 0.00 0.00 60.65 59.66 1u97 h LYS 27 Cb 1.17 0.02 -0.01 0.00 -0.60 0.00 0.00 32.23 32.81 1u97 h LYS 27 CO 0.20 0.73 0.12 -1.00 -3.45 0.00 0.00 179.45 176.05 1u97 h PRO 28 N -0.44 0.03 -0.13 1.90 0.13 -2.01 -1.64 132.00 129.83 1u97 h PRO 28 Ca -0.00 -0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.11 1u97 h PRO 28 Cb 0.75 -0.01 -0.01 0.00 0.13 0.00 0.00 31.00 31.86 1u97 h PRO 28 CO 0.02 0.02 0.03 1.49 -0.23 0.00 0.00 178.00 179.33 1u97 h GLU 29 N 0.03 0.18 0.14 0.86 4.57 -1.99 -1.88 114.58 116.49 1u97 h GLU 29 Ca 0.08 -0.02 -0.01 0.00 -1.18 0.00 0.00 59.36 58.23 1u97 h GLU 29 Cb 0.27 -0.04 0.00 0.00 -0.16 0.00 0.00 28.75 28.82 1u97 h GLU 29 CO -0.00 0.18 -0.07 -0.22 -1.18 0.00 0.00 179.01 177.72 1u97 h LYS 30 N 0.18 -0.18 -0.86 1.92 3.64 -1.42 -0.89 116.57 118.95 1u97 h LYS 30 Ca 0.05 0.01 0.04 0.00 -1.27 0.00 0.00 60.65 59.48 1u97 h LYS 30 Cb 0.08 0.04 -0.05 0.00 -0.41 0.00 0.00 32.23 31.89 1u97 h LYS 30 CO -0.00 0.15 0.56 1.49 -2.27 0.00 0.00 179.45 179.37 1u97 h GLU 31 N -0.52 1.04 -0.50 1.90 4.81 -1.54 -1.23 114.58 118.53 1u97 h GLU 31 Ca -0.02 -0.06 -0.05 0.00 -0.13 0.00 0.00 59.36 59.10 1u97 h GLU 31 Cb 0.41 -0.23 -0.02 0.00 0.63 0.00 0.00 28.75 29.54 1u97 h GLU 31 CO 0.03 0.69 0.11 0.93 -0.73 0.00 0.00 179.01 180.04 1u97 h GLU 32 N 1.07 0.81 -0.14 1.92 4.39 -1.32 -1.46 114.58 119.84 1u97 h GLU 32 Ca 0.35 -0.20 0.01 0.00 0.34 0.00 0.00 59.36 59.86 1u97 h GLU 32 Cb 0.02 -0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 28.56 1u97 h GLU 32 CO -0.12 0.78 0.07 -0.09 -1.16 0.00 0.00 179.01 178.49 1u97 h ARG 33 N 0.69 0.15 -0.60 2.33 2.43 -0.55 -1.06 114.38 117.77 1u97 h ARG 33 Ca 0.16 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.32 1u97 h ARG 33 Cb 0.34 -0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 29.83 1u97 h ARG 33 CO 0.00 0.10 0.38 -0.44 -1.51 0.00 0.00 179.97 178.50 1u97 h ASP 34 N 0.15 0.71 -0.26 -3.80 5.19 -1.14 -1.67 116.42 115.60 1u97 h ASP 34 Ca 0.06 -0.04 -0.02 0.00 -0.62 0.00 0.00 57.03 56.41 1u97 h ASP 34 Cb 0.01 -0.18 -0.02 0.00 0.18 0.00 0.00 39.33 39.33 1u97 h ASP 34 CO -0.04 0.54 0.12 0.74 -3.12 0.00 0.00 179.24 177.48 1u97 h THR 35 N 0.81 1.12 -0.15 0.35 2.02 -0.95 -0.86 112.91 115.26 1u97 h THR 35 Ca 0.22 -0.38 -0.08 0.00 0.77 0.00 0.00 66.41 66.93 1u97 h THR 35 Cb -0.05 0.76 -0.00 0.00 -1.74 0.00 0.00 68.15 67.12 1u97 h THR 35 CO -0.04 0.15 -0.21 0.00 0.37 0.00 0.00 175.52 175.78 1u97 h ILE 37 N 0.03 0.98 0.02 0.00 2.04 -0.97 0.21 117.51 119.82 1u97 h ILE 37 Ca 0.02 -1.06 -0.26 0.00 1.00 0.00 0.00 64.86 64.56 1u97 h ILE 37 Cb 0.78 1.61 -0.04 0.00 -0.74 0.00 0.00 36.82 38.43 1u97 h ILE 37 CO 0.05 0.28 -1.40 -0.07 0.00 0.00 0.00 178.15 177.01 1u97 h LEU 38 N 0.00 0.06 0.00 1.44 3.38 -1.10 -2.77 115.31 116.32 1u97 h LEU 38 Ca -0.00 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.88 1u97 h LEU 38 Cb 0.59 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.32 1u97 h LEU 38 CO 0.04 1.08 -0.06 0.15 0.09 0.00 0.00 178.44 179.73 1u97 h PHE 39 N 0.01 0.00 0.00 1.13 3.04 -0.68 -3.38 116.94 117.06 1u97 h PHE 39 Ca -0.17 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.78 1u97 h PHE 39 Cb 1.91 0.00 0.00 0.00 2.56 0.00 0.00 35.95 40.42 1u97 h PHE 39 CO 0.01 0.00 0.00 -0.91 -2.02 0.00 0.00 178.31 175.39 1u97 h ASN 40 N -0.14 0.00 -4.21 0.41 2.35 -0.79 -3.49 115.58 109.71 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 0.06 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.43 1u97 h ASN 40 CO 0.00 0.00 0.00 0.61 -1.65 0.00 0.00 177.43 176.39 1u97 n GLY 41 N -0.21 -1.31 3.77 2.83 0.00 -1.05 -4.84 105.19 104.38 1u97 n GLY 41 Ca 0.01 -1.60 -0.39 0.00 0.00 0.00 0.00 46.02 44.05 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 4.71 -0.23 1.61 -2.07 -1.22 -4.52 119.66 115.78 1u97 s GLN 42 Ca 0.00 1.38 -0.01 0.00 -1.82 0.00 0.00 55.36 54.92 1u97 s GLN 42 Cb 0.00 -3.06 0.00 0.00 -1.09 0.00 0.00 33.01 28.86 1u97 s GLN 42 CO 0.00 0.42 0.01 -3.47 -1.32 0.00 0.00 175.29 170.93 1u97 n ASP 43 N 1.07 -7.38 0.00 12.60 2.03 -1.26 -4.99 116.55 118.62 1u97 n ASP 43 Ca -0.01 1.21 0.00 0.00 0.52 0.00 0.00 54.79 56.52 1u97 n ASP 43 Cb 0.49 -4.49 0.00 0.00 -0.72 0.00 0.00 41.12 36.39 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 0.91 0.00 0.00 1.67 2.88 -1.26 -4.99 113.62 112.83 1u97 n SER 44 Ca -0.02 -1.00 0.00 0.00 -1.33 0.00 0.00 58.87 56.52 1u97 n SER 44 Cb 0.14 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.60 1u97 n SER 44 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02 1u97 n GLU 45 N 0.00 -0.79 0.00 -1.46 2.13 -1.26 -4.60 120.64 114.66 1u97 n GLU 45 Ca 0.00 0.20 0.00 0.00 0.66 0.00 0.00 57.16 58.02 1u97 n GLU 45 Cb 0.43 -4.25 0.00 0.00 0.27 0.00 0.00 31.44 27.89 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 -0.95 -0.08 0.00 5.31 5.02 -1.26 -4.76 118.16 121.44 1u97 n LYS 46 Ca 0.00 -0.14 0.10 0.00 -2.02 0.00 0.00 58.31 56.25 1u97 n LYS 46 Cb 0.20 -0.57 0.06 0.00 -0.02 0.00 0.00 35.03 34.70 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 0.80 0.06 0.01 0.00 5.02 -1.26 -4.06 118.16 118.74 1u97 n LYS 48 Ca 0.10 -0.03 -0.13 0.00 -2.02 0.00 0.00 58.31 56.24 1u97 n LYS 48 Cb 0.46 -1.50 -0.09 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 0.07 0.01 -0.71 1.97 4.39 -1.92 -1.34 114.58 117.05 1u97 h GLU 49 Ca 0.00 -0.00 -0.06 0.00 0.34 0.00 0.00 59.36 59.64 1u97 h GLU 49 Cb 0.50 -0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.11 1u97 h GLU 49 CO 0.00 0.27 0.23 0.74 -1.16 0.00 0.00 179.01 179.09 1u97 h PHE 50 N -0.26 1.14 0.79 4.33 -1.00 -1.86 -0.23 116.94 119.85 1u97 h PHE 50 Ca 0.00 -0.11 -0.04 0.00 2.81 0.00 0.00 57.97 60.63 1u97 h PHE 50 Cb 0.27 -0.33 0.01 0.00 3.61 0.00 0.00 35.95 39.51 1u97 h PHE 50 CO 0.02 0.90 -0.38 0.82 -1.61 0.00 0.00 178.31 178.06 1u97 h ILE 51 N 1.05 0.19 -0.16 -0.55 2.04 -1.69 -1.15 117.51 117.23 1u97 h ILE 51 Ca 0.23 -0.06 0.01 0.00 1.00 0.00 0.00 64.86 66.03 1u97 h ILE 51 Cb 0.29 0.20 -0.01 0.00 -0.74 0.00 0.00 36.82 36.57 1u97 h ILE 51 CO -0.01 0.01 0.11 -0.33 0.00 0.00 0.00 178.15 177.92 1u97 h GLU 52 N -1.12 0.19 -0.57 2.37 5.08 -1.23 -1.62 114.58 117.69 1u97 h GLU 52 Ca -0.11 -0.01 -0.11 0.00 -1.00 0.00 0.00 59.36 58.13 1u97 h GLU 52 Cb 0.82 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 30.01 1u97 h GLU 52 CO 0.18 0.12 -0.07 -0.22 -1.00 0.00 0.00 179.01 178.02 1u97 h LYS 53 N 0.19 1.05 -0.26 2.33 3.64 -0.78 -1.83 116.57 120.91 1u97 h LYS 53 Ca 0.06 -0.37 -0.16 0.00 -1.27 0.00 0.00 60.65 58.91 1u97 h LYS 53 Cb 0.01 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 31.75 1u97 h LYS 53 CO -0.01 1.07 -0.47 -0.92 -2.27 0.00 0.00 179.45 176.84 1u97 h TYR 54 N 0.94 0.86 0.16 1.91 3.20 -0.35 -1.43 116.97 122.27 1u97 h TYR 54 Ca 0.15 -0.28 -0.01 0.00 3.14 0.00 0.00 58.73 61.74 1u97 h TYR 54 Cb 0.64 -0.17 0.00 0.00 1.54 0.00 0.00 36.73 38.74 1u97 h TYR 54 CO 0.04 1.04 -0.08 0.87 -1.64 0.00 0.00 178.16 178.40 1u97 h LYS 55 N 0.56 -0.21 -0.69 1.82 1.57 -1.18 -0.87 116.57 117.57 1u97 h LYS 55 Ca 0.03 0.01 -0.06 0.00 -1.87 0.00 0.00 60.65 58.76 1u97 h LYS 55 Cb 1.03 0.05 -0.03 0.00 0.08 0.00 0.00 32.23 33.36 1u97 h LYS 55 CO 0.10 -0.01 0.19 1.05 -0.57 0.00 0.00 179.45 180.21 1u97 h GLU 56 N -0.38 1.09 -0.44 3.15 4.11 -1.37 -1.42 114.58 119.31 1u97 h GLU 56 Ca -0.02 -0.25 0.01 0.00 0.07 0.00 0.00 59.36 59.17 1u97 h GLU 56 Cb 0.30 -0.15 -0.03 0.00 0.50 0.00 0.00 28.75 29.37 1u97 h GLU 56 CO 0.04 0.95 0.28 0.00 0.07 0.00 0.00 179.01 180.35 1u97 h MET 58 N 0.57 1.05 -0.02 0.00 2.86 -0.95 -2.33 114.93 116.11 1u97 h MET 58 Ca 0.17 -0.24 -0.05 0.00 -2.06 0.00 0.00 59.70 57.52 1u97 h MET 58 Cb -0.03 -0.14 -0.01 0.00 0.06 0.00 0.00 31.60 31.48 1u97 h MET 58 CO -0.06 0.93 -0.24 -0.22 1.06 0.00 0.00 176.91 178.38 1u97 h LYS 59 N 1.00 0.03 0.00 1.72 3.64 -0.67 0.34 116.57 122.63 1u97 h LYS 59 Ca 0.21 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.58 1u97 h LYS 59 Cb 0.35 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.17 1u97 h LYS 59 CO 0.00 0.27 0.00 0.41 -2.27 0.00 0.00 179.45 177.86 1u97 n GLY 60 N -0.81 -1.43 0.73 5.01 0.00 -0.24 -3.51 105.19 104.92 1u97 n GLY 60 Ca -0.02 -0.08 0.03 0.00 0.00 0.00 0.00 46.02 45.94 1u97 n GLY 60 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1u97 n TYR 61 N -1.57 0.00 -0.87 1.61 4.01 -0.74 -5.06 117.16 114.54 1u97 n TYR 61 Ca 0.06 -0.33 0.00 0.00 -0.16 0.00 0.00 57.90 57.47 1u97 n TYR 61 Cb 0.32 -0.10 0.00 0.00 -0.31 0.00 0.00 39.34 39.25 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 -0.09 -1.66 3.53 2.72 0.00 0.96 -4.26 105.19 106.39 1u97 n GLY 62 Ca 0.05 -0.53 -0.29 0.00 0.00 0.00 0.00 46.02 45.25 1u97 n GLY 62 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1u97 s PHE 63 N 0.00 1.37 0.00 1.61 -0.71 0.20 -4.73 117.98 115.72 1u97 s PHE 63 Ca 0.00 1.38 0.00 0.00 -1.04 0.00 0.00 56.93 57.27 1u97 s PHE 63 Cb 0.00 -3.17 0.00 0.00 -1.21 0.00 0.00 43.02 38.64 1u97 s PHE 63 CO 0.00 -3.64 0.00 -1.91 -1.34 0.00 0.00 175.22 168.33 1u97 n GLU 64 N -4.78 0.00 -2.09 1.99 2.13 -1.26 -4.99 120.64 111.64 1u97 n GLU 64 Ca 0.06 0.00 -0.36 0.00 0.66 0.00 0.00 57.16 57.52 1u97 n GLU 64 Cb 0.53 -0.17 0.02 0.00 0.27 0.00 0.00 31.44 32.10 1u97 n GLU 64 CO 0.00 0.00 0.00 0.14 -0.41 0.00 0.00 177.13 176.86 1u97 s VAL 65 N -1.27 2.77 -0.12 6.31 -7.23 -1.26 -4.93 120.40 114.67 1u97 s VAL 65 Ca 0.00 0.50 -0.29 0.00 -1.81 0.00 0.00 61.98 60.38 1u97 s VAL 65 Cb 0.00 -3.21 -0.05 0.00 0.56 0.00 0.00 36.38 33.68 1u97 s VAL 65 CO 0.00 -0.09 1.76 -2.16 -0.31 0.00 0.00 175.10 174.30 1u97 s PRO 66 N -3.22 3.91 0.00 4.82 0.04 -1.26 -4.85 135.00 134.44 1u97 s PRO 66 Ca 0.74 2.05 0.07 0.00 0.04 0.00 0.00 61.00 63.90 1u97 s PRO 66 Cb -0.29 -4.08 0.10 0.00 0.04 0.00 0.00 34.50 30.27 1u97 s PRO 66 CO 0.33 -1.18 0.87 -1.13 0.04 0.00 0.00 177.00 175.92 1u97 n SER 67 N 8.23 1.91 -0.02 6.66 3.41 -1.26 -4.60 113.62 127.95 1u97 n SER 67 Ca 0.20 -1.52 -0.02 0.00 -0.26 0.00 0.00 58.87 57.27 1u97 n SER 67 Cb 0.44 -0.05 -0.04 0.00 -0.26 0.00 0.00 64.21 64.30 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 0.32 1.89 1.32 7.33 0.00 -1.26 -5.27 120.51 124.85 1u97 n ALA 68 Ca 0.05 -0.30 0.11 0.00 0.00 0.00 0.00 53.44 53.30 1u97 n ALA 68 Cb 0.24 0.14 0.63 0.00 0.00 0.00 0.00 19.45 20.46 1u97 n ALA 68 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59