#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u97 h THR 2 N 0.00 1.12 0.00 2.03 2.02 -2.08 -3.42 112.91 112.58 1u97 h THR 2 Ca 0.00 -1.47 -0.03 0.00 0.77 0.00 0.00 66.41 65.68 1u97 h THR 2 Cb 0.00 1.97 -0.01 0.00 -1.74 0.00 0.00 68.15 68.38 1u97 h THR 2 CO 0.00 0.32 -1.11 -1.84 0.37 0.00 0.00 175.52 173.26 1u97 n GLU 3 N -4.81 3.56 -3.91 6.66 0.28 -1.26 -5.04 120.64 116.13 1u97 n GLU 3 Ca -0.08 -0.00 -0.32 0.00 -0.16 0.00 0.00 57.16 56.60 1u97 n GLU 3 Cb 0.30 -1.04 -0.04 0.00 1.43 0.00 0.00 31.44 32.08 1u97 n GLU 3 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 177.13 176.89 1u97 s THR 4 N -2.04 5.42 -0.19 3.84 -1.32 -1.26 -5.00 115.64 115.08 1u97 s THR 4 Ca -0.01 -0.24 0.15 0.00 -1.21 0.00 0.00 61.69 60.38 1u97 s THR 4 Cb 0.00 -3.58 -0.21 0.00 -1.51 0.00 0.00 72.50 67.21 1u97 s THR 4 CO 0.07 0.25 0.40 0.47 -2.21 0.00 0.00 174.62 173.60 1u97 n ASP 5 N 0.69 1.39 -2.34 8.08 8.00 -1.26 -2.46 116.55 128.66 1u97 n ASP 5 Ca -0.09 -0.22 -0.02 0.00 0.71 0.00 0.00 54.79 55.17 1u97 n ASP 5 Cb 0.52 1.49 -0.02 0.00 -0.02 0.00 0.00 41.12 43.10 1u97 n ASP 5 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1u97 n LYS 6 N -1.83 -4.55 0.00 -1.24 5.02 -1.26 -4.97 118.16 109.33 1u97 n LYS 6 Ca -0.01 3.39 0.00 0.00 -2.02 0.00 0.00 58.31 59.66 1u97 n LYS 6 Cb 0.34 -4.51 0.00 0.00 -0.02 0.00 0.00 35.03 30.84 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 1.63 2.47 -2.88 1.97 4.76 -1.26 -5.03 118.16 119.82 1u97 n LYS 7 Ca -0.16 0.00 -0.43 0.00 -2.87 0.00 0.00 58.31 54.85 1u97 n LYS 7 Cb 0.24 -0.56 -0.04 0.00 -1.84 0.00 0.00 35.03 32.83 1u97 n LYS 7 CO 0.00 0.00 0.00 -0.65 -1.37 0.00 0.00 177.40 175.38 1u97 s GLN 8 N -0.76 3.36 0.00 1.97 -0.21 -1.26 -4.74 119.66 118.02 1u97 s GLN 8 Ca 0.00 -0.21 0.00 0.00 0.02 0.00 0.00 55.36 55.17 1u97 s GLN 8 Cb 0.00 -4.02 0.00 0.00 1.00 0.00 0.00 33.01 29.99 1u97 s GLN 8 CO 0.00 -1.37 0.00 -0.85 -2.12 0.00 0.00 175.29 170.95 1u97 n GLU 9 N 7.21 2.84 -4.01 2.91 0.28 -1.26 -5.07 120.64 123.54 1u97 n GLU 9 Ca 0.02 0.00 -0.30 0.00 -0.16 0.00 0.00 57.16 56.72 1u97 n GLU 9 Cb 0.48 -0.27 -0.06 0.00 1.43 0.00 0.00 31.44 33.02 1u97 n GLU 9 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 177.13 175.83 1u97 s GLN 10 N -0.44 3.06 -0.03 3.44 2.00 -1.26 -5.12 119.66 121.31 1u97 s GLN 10 Ca 0.00 -0.64 0.03 0.00 -2.00 0.00 0.00 55.36 52.76 1u97 s GLN 10 Cb 0.00 -2.82 -0.00 0.00 0.80 0.00 0.00 33.01 30.99 1u97 s GLN 10 CO 0.00 0.57 -0.13 -1.21 -0.50 0.00 0.00 175.29 174.02 1u97 s GLU 11 N -2.54 1.24 0.00 1.67 2.02 -1.26 -5.01 118.70 114.82 1u97 s GLU 11 Ca 0.31 -0.44 0.27 0.00 0.02 0.00 0.00 54.97 55.13 1u97 s GLU 11 Cb -0.12 -1.14 0.87 0.00 0.10 0.00 0.00 34.13 33.84 1u97 s GLU 11 CO 0.24 0.20 1.65 0.09 0.02 0.00 0.00 175.26 177.46 1u97 n ASN 12 N 3.10 0.51 -4.58 -0.19 4.13 -1.26 -4.79 115.26 112.18 1u97 n ASN 12 Ca -0.17 -0.34 -0.35 0.00 1.68 0.00 0.00 54.58 55.40 1u97 n ASN 12 Cb 0.54 0.02 -0.11 0.00 -1.54 0.00 0.00 39.78 38.69 1u97 n ASN 12 CO 0.00 0.00 0.00 -1.00 0.28 0.00 0.00 177.26 176.54 1u97 s HIS 13 N -2.76 3.19 0.00 3.10 3.76 -1.26 -4.92 115.29 116.40 1u97 s HIS 13 Ca 0.19 -0.07 0.00 0.00 -0.15 0.00 0.00 55.06 55.03 1u97 s HIS 13 Cb 0.19 -2.13 0.00 0.00 1.11 0.00 0.00 32.58 31.74 1u97 s HIS 13 CO 0.58 -0.01 0.00 0.00 -0.85 0.00 0.00 174.74 174.46 1u97 n ALA 14 N 3.99 1.78 -2.63 -1.40 0.00 -1.26 -5.13 120.51 115.86 1u97 n ALA 14 Ca -0.16 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.23 1u97 n ALA 14 Cb 0.52 0.15 -0.04 0.00 0.00 0.00 0.00 19.45 20.07 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 -1.57 -4.47 -4.33 0.00 -0.58 -1.26 -5.07 120.64 103.36 1u97 n GLU 15 Ca 0.00 3.38 -0.18 0.00 -0.42 0.00 0.00 57.16 59.95 1u97 n GLU 15 Cb 0.18 -5.07 -0.10 0.00 -0.57 0.00 0.00 31.44 25.87 1u97 n GLU 15 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1u97 n GLU 17 N -0.38 0.24 -3.65 0.00 0.28 -1.26 -5.06 120.64 110.81 1u97 n GLU 17 Ca -0.07 0.00 -0.37 0.00 -0.16 0.00 0.00 57.16 56.56 1u97 n GLU 17 Cb 0.62 -0.52 -0.10 0.00 1.43 0.00 0.00 31.44 32.86 1u97 n GLU 17 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 177.13 176.46 1u97 s ASP 18 N -1.09 5.98 0.18 -1.84 1.01 -1.26 -5.09 116.67 114.56 1u97 s ASP 18 Ca 0.00 0.03 -0.11 0.00 0.71 0.00 0.00 52.55 53.18 1u97 s ASP 18 Cb 0.00 -2.09 -0.07 0.00 1.01 0.00 0.00 42.92 41.77 1u97 s ASP 18 CO 0.00 0.01 0.52 -1.59 0.21 0.00 0.00 175.17 174.32 1u97 s LYS 19 N 1.40 3.84 0.00 8.23 -2.85 -1.26 -4.97 119.74 124.13 1u97 s LYS 19 Ca 0.07 0.31 0.00 0.00 -1.00 0.00 0.00 55.97 55.35 1u97 s LYS 19 Cb -0.15 -2.78 0.00 0.00 -2.06 0.00 0.00 37.83 32.84 1u97 s LYS 19 CO 0.07 0.40 0.80 -0.35 0.10 0.00 0.00 175.35 176.38 1u97 n PRO 20 N 0.28 0.88 -4.88 1.78 -0.04 -1.26 -4.75 135.00 127.00 1u97 n PRO 20 Ca -0.02 0.00 -0.28 0.00 -0.04 0.00 0.00 63.50 63.16 1u97 n PRO 20 Cb 0.52 -1.13 -0.17 0.00 -0.04 0.00 0.00 33.50 32.69 1u97 n PRO 20 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 1u97 s LYS 21 N -0.07 2.19 -0.34 0.54 2.20 -1.26 -5.10 119.74 117.91 1u97 s LYS 21 Ca 0.00 -0.63 -0.29 0.00 -0.36 0.00 0.00 55.97 54.69 1u97 s LYS 21 Cb 0.00 -1.76 -0.00 0.00 -1.51 0.00 0.00 37.83 34.55 1u97 s LYS 21 CO 0.00 0.15 1.49 -1.25 -0.36 0.00 0.00 175.35 175.38 1u97 s PRO 22 N 0.37 3.65 0.03 4.03 0.04 -1.26 -4.85 135.00 137.00 1u97 s PRO 22 Ca -0.13 1.22 0.22 0.00 0.04 0.00 0.00 61.00 62.35 1u97 s PRO 22 Cb -0.15 -4.03 -0.22 0.00 0.04 0.00 0.00 34.50 30.14 1u97 s PRO 22 CO 0.05 -1.47 0.68 0.00 0.04 0.00 0.00 177.00 176.30 1u97 n VAL 25 N 5.31 0.00 -3.15 0.00 0.24 -1.26 -4.63 118.33 114.84 1u97 n VAL 25 Ca -0.06 0.00 -0.14 0.00 -2.04 0.00 0.00 64.34 62.10 1u97 n VAL 25 Cb 0.49 -1.54 0.05 0.00 -1.47 0.00 0.00 33.84 31.37 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 -1.64 -0.26 0.00 0.00 3.64 -2.01 -3.16 116.57 113.14 1u97 h LYS 27 Ca -0.36 0.02 -0.14 0.00 -1.27 0.00 0.00 60.65 58.91 1u97 h LYS 27 Cb 1.23 0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 33.09 1u97 h LYS 27 CO 0.35 0.10 -0.65 -1.00 -2.27 0.00 0.00 179.45 175.98 1u97 h PRO 28 N -0.71 0.00 -0.01 1.90 0.13 -2.00 -3.25 132.00 128.06 1u97 h PRO 28 Ca -0.03 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.10 1u97 h PRO 28 Cb 0.49 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.62 1u97 h PRO 28 CO 0.05 0.65 0.01 0.93 -0.23 0.00 0.00 178.00 179.40 1u97 h GLU 29 N 0.00 0.00 -0.47 0.86 3.07 -1.97 -1.38 114.58 114.69 1u97 h GLU 29 Ca -0.01 0.00 -0.13 0.00 -0.50 0.00 0.00 59.36 58.73 1u97 h GLU 29 Cb 1.44 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 29.34 1u97 h GLU 29 CO 0.08 0.00 -0.20 0.87 -1.40 0.00 0.00 179.01 178.36 1u97 h LYS 30 N 0.00 0.96 -0.27 2.33 1.57 -1.58 -0.99 116.57 118.59 1u97 h LYS 30 Ca 0.00 -0.40 -0.16 0.00 -1.87 0.00 0.00 60.65 58.23 1u97 h LYS 30 Cb 0.02 -0.04 -0.00 0.00 0.08 0.00 0.00 32.23 32.29 1u97 h LYS 30 CO -0.00 1.07 -0.45 1.49 -0.57 0.00 0.00 179.45 180.99 1u97 h GLU 31 N 0.83 0.78 -0.19 3.15 4.81 -1.45 -1.87 114.58 120.64 1u97 h GLU 31 Ca 0.11 -0.48 -0.03 0.00 -0.13 0.00 0.00 59.36 58.84 1u97 h GLU 31 Cb 0.77 0.05 -0.01 0.00 0.63 0.00 0.00 28.75 30.19 1u97 h GLU 31 CO 0.06 1.11 0.02 0.93 -0.73 0.00 0.00 179.01 180.40 1u97 h GLU 32 N 0.54 0.32 -0.08 1.92 5.08 -1.31 -1.12 114.58 119.93 1u97 h GLU 32 Ca 0.02 -0.09 -0.00 0.00 -1.00 0.00 0.00 59.36 58.29 1u97 h GLU 32 Cb 1.05 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 30.26 1u97 h GLU 32 CO 0.10 0.50 0.04 -0.09 -1.00 0.00 0.00 179.01 178.56 1u97 h ARG 33 N 0.10 0.11 -0.07 2.33 2.43 -1.22 -0.40 114.38 117.66 1u97 h ARG 33 Ca 0.06 -0.02 0.01 0.00 -0.81 0.00 0.00 59.98 59.22 1u97 h ARG 33 Cb 0.34 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.86 1u97 h ARG 33 CO 0.01 0.19 -0.02 0.22 -1.51 0.00 0.00 179.97 178.86 1u97 h ASP 34 N 0.00 -0.07 -0.03 -3.80 3.58 -1.34 -1.08 116.42 113.68 1u97 h ASP 34 Ca 0.03 0.02 -0.01 0.00 0.42 0.00 0.00 57.03 57.48 1u97 h ASP 34 Cb 0.12 0.05 -0.01 0.00 1.72 0.00 0.00 39.33 41.21 1u97 h ASP 34 CO -0.00 -0.02 -0.01 0.74 -2.88 0.00 0.00 179.24 177.07 1u97 h THR 35 N 0.00 1.07 -0.36 2.25 2.02 -1.12 -0.92 112.91 115.85 1u97 h THR 35 Ca 0.04 -0.28 -0.12 0.00 0.77 0.00 0.00 66.41 66.82 1u97 h THR 35 Cb 0.05 1.01 -0.01 0.00 -1.74 0.00 0.00 68.15 67.47 1u97 h THR 35 CO -0.08 0.09 -0.24 0.00 0.37 0.00 0.00 175.52 175.67 1u97 h ILE 37 N 0.59 1.42 0.01 0.00 2.04 -0.61 -1.37 117.51 119.59 1u97 h ILE 37 Ca 0.07 -2.02 -0.23 0.00 1.00 0.00 0.00 64.86 63.68 1u97 h ILE 37 Cb 0.80 2.09 -0.03 0.00 -0.74 0.00 0.00 36.82 38.94 1u97 h ILE 37 CO 0.07 0.58 -1.16 0.25 0.00 0.00 0.00 178.15 177.89 1u97 h LEU 38 N 0.00 0.03 0.01 1.44 5.85 -1.08 -2.36 115.31 119.21 1u97 h LEU 38 Ca -0.01 -0.04 -0.00 0.00 0.84 0.00 0.00 57.88 58.68 1u97 h LEU 38 Cb 1.04 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 42.06 1u97 h LEU 38 CO 0.08 1.03 -0.01 0.15 -0.34 0.00 0.00 178.44 179.35 1u97 h PHE 39 N 0.01 -0.02 0.27 1.25 3.57 -0.73 -3.41 116.94 117.88 1u97 h PHE 39 Ca -0.07 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.41 1u97 h PHE 39 Cb 1.83 0.01 0.00 0.00 2.79 0.00 0.00 35.95 40.58 1u97 h PHE 39 CO 0.00 -0.01 -0.13 -0.91 -2.23 0.00 0.00 178.31 175.03 1u97 h ASN 40 N -0.78 -0.31 -1.30 0.41 2.35 -1.44 -3.51 115.58 111.01 1u97 h ASN 40 Ca -0.00 -0.08 0.00 0.00 -0.55 0.00 0.00 56.30 55.67 1u97 h ASN 40 Cb 0.01 0.08 0.00 0.00 0.05 0.00 0.00 38.32 38.46 1u97 h ASN 40 CO 0.00 0.17 0.00 0.61 -1.65 0.00 0.00 177.43 176.56 1u97 n GLY 41 N 0.72 -0.82 3.62 2.83 0.00 -0.89 -5.06 105.19 105.60 1u97 n GLY 41 Ca -0.06 -1.47 -0.43 0.00 0.00 0.00 0.00 46.02 44.07 1u97 n GLY 41 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1u97 s GLN 42 N -1.94 3.55 -0.23 1.61 -1.52 -1.25 -4.02 119.66 115.87 1u97 s GLN 42 Ca 0.00 1.98 -0.06 0.00 -1.95 0.00 0.00 55.36 55.33 1u97 s GLN 42 Cb 0.00 -4.21 0.02 0.00 -0.22 0.00 0.00 33.01 28.60 1u97 s GLN 42 CO 0.00 -1.61 0.12 -0.25 -0.25 0.00 0.00 175.29 173.30 1u97 n ASP 43 N 9.74 -4.35 -4.36 5.90 9.92 -1.26 -4.99 116.55 127.15 1u97 n ASP 43 Ca 0.24 1.35 -0.29 0.00 -0.53 0.00 0.00 54.79 55.56 1u97 n ASP 43 Cb 0.44 -5.05 0.21 0.00 -0.64 0.00 0.00 41.12 36.08 1u97 n ASP 43 CO 0.00 0.00 0.00 -0.94 0.13 0.00 0.00 177.20 176.39 1u97 s SER 44 N -1.10 1.83 0.00 -2.24 1.04 -1.26 -5.00 113.70 106.97 1u97 s SER 44 Ca -0.14 1.00 0.00 0.00 0.48 0.00 0.00 55.95 57.29 1u97 s SER 44 Cb 0.01 -1.53 0.00 0.00 0.10 0.00 0.00 66.02 64.60 1u97 s SER 44 CO 0.74 -3.60 0.03 -0.62 0.98 0.00 0.00 173.24 170.77 1u97 n GLU 45 N -4.46 1.85 0.00 4.02 1.02 -1.26 -4.76 120.64 117.05 1u97 n GLU 45 Ca 0.08 -0.03 0.00 0.00 -0.02 0.00 0.00 57.16 57.18 1u97 n GLU 45 Cb 0.58 -0.26 0.00 0.00 -0.02 0.00 0.00 31.44 31.74 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 -0.27 3.34 -1.72 3.49 4.76 -1.26 -4.72 118.16 121.77 1u97 n LYS 46 Ca 0.00 0.00 -0.19 0.00 -2.87 0.00 0.00 58.31 55.25 1u97 n LYS 46 Cb 0.03 -0.71 0.06 0.00 -1.84 0.00 0.00 35.03 32.57 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 -0.80 0.05 -0.14 0.00 5.02 -1.26 -3.50 118.16 117.52 1u97 n LYS 48 Ca 0.41 0.13 -0.04 0.00 -2.02 0.00 0.00 58.31 56.79 1u97 n LYS 48 Cb 0.91 -1.50 0.05 0.00 -0.02 0.00 0.00 35.03 34.47 1u97 n LYS 48 CO 0.00 0.00 0.00 1.49 -0.52 0.00 0.00 177.40 178.37 1u97 h GLU 49 N 0.00 0.32 -0.72 1.97 4.81 -1.98 -0.04 114.58 118.94 1u97 h GLU 49 Ca 0.00 -0.02 -0.05 0.00 -0.13 0.00 0.00 59.36 59.16 1u97 h GLU 49 Cb 0.34 -0.07 -0.03 0.00 0.63 0.00 0.00 28.75 29.62 1u97 h GLU 49 CO 0.00 0.21 0.24 0.74 -0.73 0.00 0.00 179.01 179.47 1u97 h PHE 50 N 0.33 1.14 0.72 0.92 0.04 -1.97 -1.21 116.94 116.90 1u97 h PHE 50 Ca 0.21 -0.11 -0.04 0.00 2.80 0.00 0.00 57.97 60.84 1u97 h PHE 50 Cb 0.21 -0.33 0.01 0.00 2.20 0.00 0.00 35.95 38.04 1u97 h PHE 50 CO -0.16 0.90 -0.35 0.82 -0.60 0.00 0.00 178.31 178.93 1u97 h ILE 51 N 1.05 0.22 -0.39 -0.55 2.04 -1.56 -0.77 117.51 117.55 1u97 h ILE 51 Ca 0.23 -0.15 0.05 0.00 1.00 0.00 0.00 64.86 66.00 1u97 h ILE 51 Cb 0.29 0.26 -0.02 0.00 -0.74 0.00 0.00 36.82 36.60 1u97 h ILE 51 CO -0.01 0.01 0.26 1.05 0.00 0.00 0.00 178.15 179.47 1u97 h GLU 52 N -1.08 0.30 -0.18 2.37 -0.00 -1.03 -0.19 114.58 114.77 1u97 h GLU 52 Ca -0.10 -0.02 -0.12 0.00 -0.00 0.00 0.00 59.36 59.12 1u97 h GLU 52 Cb 0.77 -0.07 -0.01 0.00 -0.00 0.00 0.00 28.75 29.44 1u97 h GLU 52 CO 0.16 0.20 -0.42 -0.22 -0.00 0.00 0.00 179.01 178.73 1u97 h LYS 53 N 0.31 0.42 -0.16 1.06 3.64 -1.01 -1.90 116.57 118.92 1u97 h LYS 53 Ca 0.17 -0.21 -0.04 0.00 -1.27 0.00 0.00 60.65 59.29 1u97 h LYS 53 Cb 0.28 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.10 1u97 h LYS 53 CO -0.04 0.77 -0.07 -0.92 -2.27 0.00 0.00 179.45 176.93 1u97 h TYR 54 N 0.35 0.38 0.21 1.91 3.20 0.47 -1.60 116.97 121.90 1u97 h TYR 54 Ca 0.03 -0.09 -0.01 0.00 3.14 0.00 0.00 58.73 61.80 1u97 h TYR 54 Cb 0.88 -0.09 0.00 0.00 1.54 0.00 0.00 36.73 39.06 1u97 h TYR 54 CO 0.03 0.64 -0.10 -0.22 -1.64 0.00 0.00 178.16 176.87 1u97 h LYS 55 N 0.02 -0.27 -0.02 1.82 3.64 -1.32 -1.82 116.57 118.63 1u97 h LYS 55 Ca 0.04 0.02 0.02 0.00 -1.27 0.00 0.00 60.65 59.46 1u97 h LYS 55 Cb 0.53 0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 32.39 1u97 h LYS 55 CO 0.02 -0.07 -0.11 0.93 -2.27 0.00 0.00 179.45 177.96 1u97 h GLU 56 N -0.43 -0.17 -0.65 1.90 4.39 -1.41 -1.20 114.58 117.02 1u97 h GLU 56 Ca -0.03 0.01 0.10 0.00 0.34 0.00 0.00 59.36 59.78 1u97 h GLU 56 Cb 0.33 0.04 -0.07 0.00 -0.10 0.00 0.00 28.75 28.94 1u97 h GLU 56 CO 0.05 -0.11 0.26 0.00 -1.16 0.00 0.00 179.01 178.04 1u97 h MET 58 N 0.45 1.21 0.00 0.00 1.85 -0.89 -0.79 114.93 116.76 1u97 h MET 58 Ca 0.33 -0.11 -0.05 0.00 -0.61 0.00 0.00 59.70 59.27 1u97 h MET 58 Cb 0.41 -0.26 -0.01 0.00 0.43 0.00 0.00 31.60 32.18 1u97 h MET 58 CO -0.31 0.85 -0.21 0.87 -0.40 0.00 0.00 176.91 177.70 1u97 h LYS 59 N 1.23 0.00 -0.60 0.39 1.57 0.16 -2.97 116.57 116.35 1u97 h LYS 59 Ca 0.32 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 59.03 1u97 h LYS 59 Cb -0.06 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.23 1u97 h LYS 59 CO -0.06 0.21 0.08 0.78 -0.57 0.00 0.00 179.45 179.89 1u97 h GLY 60 N 1.45 1.09 0.91 3.86 0.00 0.56 -2.88 103.07 108.06 1u97 h GLY 60 Ca -0.00 -0.74 0.07 0.00 0.00 0.00 0.00 47.33 46.66 1u97 h GLY 60 CO 0.03 0.69 0.53 -1.82 0.00 0.00 0.00 176.54 175.96 1u97 h TYR 61 N 0.91 0.87 0.00 5.60 3.20 -1.37 -3.45 116.97 122.73 1u97 h TYR 61 Ca 0.18 0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.07 1u97 h TYR 61 Cb 0.45 -0.28 0.00 0.00 1.54 0.00 0.00 36.73 38.44 1u97 h TYR 61 CO 0.03 0.44 0.00 0.41 -1.64 0.00 0.00 178.16 177.41 1u97 n GLY 62 N -1.43 0.63 3.28 1.82 0.00 -1.09 -5.10 105.19 103.31 1u97 n GLY 62 Ca 0.12 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.04 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 -0.58 0.93 1.61 5.36 -1.24 -5.02 117.98 119.04 1u97 s PHE 63 Ca 0.00 1.26 -0.16 0.00 -0.96 0.00 0.00 56.93 57.08 1u97 s PHE 63 Cb 0.00 0.25 0.24 0.00 -0.34 0.00 0.00 43.02 43.17 1u97 s PHE 63 CO 0.00 -0.32 0.65 -0.85 -1.46 0.00 0.00 175.22 173.24 1u97 n GLU 64 N 3.97 -3.37 -1.38 10.12 0.00 -1.26 -4.22 120.64 124.51 1u97 n GLU 64 Ca -0.21 -1.06 -0.36 0.00 0.00 0.00 0.00 57.16 55.53 1u97 n GLU 64 Cb 0.56 -1.21 0.09 0.00 0.00 0.00 0.00 31.44 30.87 1u97 n GLU 64 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.13 178.46 1u97 n VAL 65 N -4.60 2.93 -1.68 3.84 0.24 -1.26 -4.83 118.33 112.98 1u97 n VAL 65 Ca 0.10 -0.38 -0.52 0.00 -2.04 0.00 0.00 64.34 61.50 1u97 n VAL 65 Cb 0.40 -1.13 -0.06 0.00 -1.47 0.00 0.00 33.84 31.59 1u97 n VAL 65 CO 0.00 0.00 0.00 -2.65 -2.14 0.00 0.00 176.83 172.04 1u97 n PRO 66 N -1.89 1.63 -0.02 7.34 -0.02 -1.26 -4.87 135.00 135.90 1u97 n PRO 66 Ca 0.13 0.60 -0.12 0.00 -2.02 0.00 0.00 63.50 62.09 1u97 n PRO 66 Cb 0.49 -2.35 -0.14 0.00 -0.02 0.00 0.00 33.50 31.49 1u97 n PRO 66 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 1u97 n SER 67 N 5.41 1.12 -3.60 2.55 7.64 -1.26 -4.87 113.62 120.61 1u97 n SER 67 Ca 0.23 0.32 -0.16 0.00 1.01 0.00 0.00 58.87 60.27 1u97 n SER 67 Cb 0.21 -0.17 -0.14 0.00 -1.01 0.00 0.00 64.21 63.11 1u97 n SER 67 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1u97 s ALA 68 N -2.58 -0.32 -2.11 -0.43 0.00 -1.26 -5.30 121.76 109.76 1u97 s ALA 68 Ca -0.10 0.54 0.31 0.00 0.00 0.00 0.00 51.96 52.72 1u97 s ALA 68 Cb 0.08 -1.08 1.73 0.00 0.00 0.00 0.00 23.12 23.85 1u97 s ALA 68 CO 0.81 -0.84 2.13 0.09 0.00 0.00 0.00 175.76 177.94