#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 0.06 0.00 2.03 -1.32 -1.26 -5.05 115.64 110.10 1u97 s THR 2 Ca 0.00 -0.87 0.00 0.00 -1.21 0.00 0.00 61.69 59.61 1u97 s THR 2 Cb 0.00 -1.45 0.00 0.00 -1.51 0.00 0.00 72.50 69.54 1u97 s THR 2 CO 0.00 -0.29 0.00 -1.84 -2.21 0.00 0.00 174.62 170.28 1u97 n GLU 3 N -0.24 0.00 0.08 7.08 0.28 -1.26 -4.79 120.64 121.79 1u97 n GLU 3 Ca -0.12 0.00 0.12 0.00 -0.16 0.00 0.00 57.16 57.00 1u97 n GLU 3 Cb 0.63 -0.38 0.09 0.00 1.43 0.00 0.00 31.44 33.21 1u97 n GLU 3 CO 0.00 0.00 0.00 1.79 -0.16 0.00 0.00 177.13 178.76 1u97 h THR 4 N 0.77 0.00 -3.01 3.84 1.35 -1.96 -3.47 112.91 110.44 1u97 h THR 4 Ca 0.00 -0.71 -0.52 0.00 -0.55 0.00 0.00 66.41 64.62 1u97 h THR 4 Cb 0.39 1.25 -0.01 0.00 -1.73 0.00 0.00 68.15 68.05 1u97 h THR 4 CO 0.00 0.00 -0.24 -1.81 -0.25 0.00 0.00 175.52 173.22 1u97 s ASP 5 N -4.74 6.41 0.00 5.36 1.11 -1.26 -4.98 116.67 118.57 1u97 s ASP 5 Ca 0.03 0.55 0.18 0.00 0.18 0.00 0.00 52.55 53.49 1u97 s ASP 5 Cb 0.12 -2.07 0.89 0.00 1.07 0.00 0.00 42.92 42.92 1u97 s ASP 5 CO 0.75 -0.12 1.60 0.29 1.18 0.00 0.00 175.17 178.86 1u97 n LYS 6 N -0.83 1.24 -4.21 8.23 4.01 -1.26 -4.80 118.16 120.54 1u97 n LYS 6 Ca -0.03 -0.37 -0.36 0.00 -0.51 0.00 0.00 58.31 57.04 1u97 n LYS 6 Cb 0.54 -1.30 -0.08 0.00 -0.51 0.00 0.00 35.03 33.68 1u97 n LYS 6 CO 0.00 0.00 0.00 0.21 -1.11 0.00 0.00 177.40 176.50 1u97 s LYS 7 N -1.92 3.13 -0.43 1.97 2.47 -1.26 -5.08 119.74 118.62 1u97 s LYS 7 Ca 0.27 -0.32 -0.22 0.00 -1.56 0.00 0.00 55.97 54.14 1u97 s LYS 7 Cb 0.13 -2.92 0.02 0.00 -1.46 0.00 0.00 37.83 33.60 1u97 s LYS 7 CO 0.21 0.73 0.74 -0.65 0.16 0.00 0.00 175.35 176.54 1u97 s GLN 8 N -0.93 3.42 0.14 4.03 1.11 -1.26 -4.76 119.66 121.42 1u97 s GLN 8 Ca 0.14 -0.12 0.00 0.00 0.01 0.00 0.00 55.36 55.39 1u97 s GLN 8 Cb -0.12 -3.92 0.00 0.00 -1.01 0.00 0.00 33.01 27.96 1u97 s GLN 8 CO 0.03 -1.04 0.00 -1.91 0.01 0.00 0.00 175.29 172.38 1u97 n GLU 9 N 6.53 -4.60 -4.29 2.91 2.13 -1.26 -5.01 120.64 117.06 1u97 n GLU 9 Ca 0.01 3.36 -0.33 0.00 0.66 0.00 0.00 57.16 60.86 1u97 n GLU 9 Cb 0.48 -3.66 -0.16 0.00 0.27 0.00 0.00 31.44 28.37 1u97 n GLU 9 CO 0.00 0.00 0.00 -0.65 -0.41 0.00 0.00 177.13 176.07 1u97 s GLN 10 N -1.00 3.05 0.27 5.31 -0.21 -1.26 -5.00 119.66 120.82 1u97 s GLN 10 Ca 0.00 -0.81 0.04 0.00 0.02 0.00 0.00 55.36 54.60 1u97 s GLN 10 Cb 0.00 -2.57 -0.06 0.00 1.00 0.00 0.00 33.01 31.38 1u97 s GLN 10 CO 0.00 -0.14 0.02 -1.21 -2.12 0.00 0.00 175.29 171.84 1u97 s GLU 11 N 1.14 1.48 -0.03 2.91 2.02 -1.26 -4.89 118.70 120.07 1u97 s GLU 11 Ca 0.01 -1.78 0.02 0.00 0.02 0.00 0.00 54.97 53.24 1u97 s GLU 11 Cb -0.14 -0.74 0.01 0.00 0.10 0.00 0.00 34.13 33.36 1u97 s GLU 11 CO -0.08 -0.13 -0.09 -0.80 0.02 0.00 0.00 175.26 174.18 1u97 s ASN 12 N -3.39 1.23 0.45 -0.19 0.01 -1.26 -5.09 114.94 106.70 1u97 s ASN 12 Ca 0.32 -0.19 0.00 0.00 -0.71 0.00 0.00 52.86 52.28 1u97 s ASN 12 Cb 0.07 -0.39 0.00 0.00 0.41 0.00 0.00 41.25 41.33 1u97 s ASN 12 CO 0.12 0.05 0.00 1.41 -1.51 0.00 0.00 177.10 177.17 1u97 n HIS 13 N 3.44 -3.23 -0.06 2.20 8.25 -1.26 -4.66 115.22 119.90 1u97 n HIS 13 Ca -0.20 1.36 -0.21 0.00 -0.26 0.00 0.00 57.72 58.41 1u97 n HIS 13 Cb 0.54 -2.45 -0.13 0.00 1.12 0.00 0.00 29.99 29.06 1u97 n HIS 13 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1u97 n ALA 14 N -1.73 1.05 -2.60 -1.41 0.00 -1.26 -5.08 120.51 109.48 1u97 n ALA 14 Ca 0.01 -0.76 -0.05 0.00 0.00 0.00 0.00 53.44 52.63 1u97 n ALA 14 Cb 0.50 -0.43 -0.04 0.00 0.00 0.00 0.00 19.45 19.48 1u97 n ALA 14 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1u97 n GLU 15 N -3.63 -4.52 0.00 0.00 2.13 -1.26 -4.99 120.64 108.37 1u97 n GLU 15 Ca -0.38 3.40 0.00 0.00 0.66 0.00 0.00 57.16 60.84 1u97 n GLU 15 Cb 0.96 -4.82 -0.00 0.00 0.27 0.00 0.00 31.44 27.85 1u97 n GLU 15 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1u97 h GLU 17 N 0.01 0.50 -5.65 0.00 4.39 -2.06 -3.42 114.58 108.34 1u97 h GLU 17 Ca 0.00 -0.49 -0.62 0.00 0.34 0.00 0.00 59.36 58.60 1u97 h GLU 17 Cb 0.00 0.13 -0.12 0.00 -0.10 0.00 0.00 28.75 28.66 1u97 h GLU 17 CO 0.00 1.12 0.28 0.34 -1.16 0.00 0.00 179.01 179.59 1u97 s ASP 18 N -6.81 6.53 -0.20 1.42 -1.08 -1.26 -5.04 116.67 110.22 1u97 s ASP 18 Ca -0.12 0.37 -0.04 0.00 -0.52 0.00 0.00 52.55 52.24 1u97 s ASP 18 Cb 0.05 -2.37 -0.02 0.00 -1.46 0.00 0.00 42.92 39.12 1u97 s ASP 18 CO 0.84 -0.63 -0.03 -0.75 0.52 0.00 0.00 175.17 175.13 1u97 s LYS 19 N 2.88 3.49 -0.11 4.34 2.20 -1.26 -5.06 119.74 126.21 1u97 s LYS 19 Ca 0.29 -0.58 -0.29 0.00 -0.36 0.00 0.00 55.97 55.02 1u97 s LYS 19 Cb -0.14 -3.01 -0.04 0.00 -1.51 0.00 0.00 37.83 33.13 1u97 s LYS 19 CO 0.14 -0.06 1.50 -1.25 -0.36 0.00 0.00 175.35 175.33 1u97 s PRO 20 N 1.15 4.16 -0.38 4.03 0.04 -1.26 -4.98 135.00 137.77 1u97 s PRO 20 Ca 0.02 1.93 0.01 0.00 0.04 0.00 0.00 61.00 63.00 1u97 s PRO 20 Cb -0.15 -3.91 0.14 0.00 0.04 0.00 0.00 34.50 30.63 1u97 s PRO 20 CO 0.00 -0.84 0.23 0.21 0.04 0.00 0.00 177.00 176.64 1u97 s LYS 21 N 3.91 0.74 0.00 4.56 2.36 -1.26 -5.14 119.74 124.91 1u97 s LYS 21 Ca 0.66 -1.55 0.00 0.00 -2.55 0.00 0.00 55.97 52.53 1u97 s LYS 21 Cb -0.28 -1.52 0.00 0.00 -1.05 0.00 0.00 37.83 34.98 1u97 s LYS 21 CO 0.24 -1.22 0.00 -2.30 1.55 0.00 0.00 175.35 173.62 1u97 n PRO 22 N 3.80 0.98 -1.29 4.03 -0.02 -1.26 -4.95 135.00 136.30 1u97 n PRO 22 Ca 0.13 0.00 0.17 0.00 -2.02 0.00 0.00 63.50 61.79 1u97 n PRO 22 Cb 0.38 0.00 -0.05 0.00 -0.02 0.00 0.00 33.50 33.81 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 0.53 -0.26 -0.45 0.00 -7.23 -1.26 -5.03 120.40 106.70 1u97 s VAL 25 Ca 0.52 -0.08 0.06 0.00 -1.81 0.00 0.00 61.98 60.67 1u97 s VAL 25 Cb -0.26 -0.62 0.18 0.00 0.56 0.00 0.00 36.38 36.24 1u97 s VAL 25 CO 0.30 -0.19 0.58 0.00 -0.31 0.00 0.00 175.10 175.48 1u97 h LYS 27 N 6.03 0.00 -0.08 0.00 1.63 -1.99 -3.20 116.57 118.95 1u97 h LYS 27 Ca 0.09 0.00 -0.22 0.00 -0.85 0.00 0.00 60.65 59.67 1u97 h LYS 27 Cb 1.09 0.00 0.01 0.00 -0.60 0.00 0.00 32.23 32.73 1u97 h LYS 27 CO 0.12 0.96 -0.84 -1.00 -3.45 0.00 0.00 179.45 175.24 1u97 h PRO 28 N -1.00 0.60 -0.54 1.90 0.13 -2.00 -3.12 132.00 127.97 1u97 h PRO 28 Ca -0.14 -0.54 -0.05 0.00 -0.87 0.00 0.00 66.00 64.40 1u97 h PRO 28 Cb 1.09 0.13 -0.03 0.00 0.13 0.00 0.00 31.00 32.32 1u97 h PRO 28 CO -0.09 1.16 0.14 0.93 -0.23 0.00 0.00 178.00 179.92 1u97 h GLU 29 N 0.39 0.82 -0.44 0.86 3.07 -1.97 -1.95 114.58 115.36 1u97 h GLU 29 Ca -0.06 -0.16 -0.04 0.00 -0.50 0.00 0.00 59.36 58.59 1u97 h GLU 29 Cb 1.45 -0.13 -0.02 0.00 -0.84 0.00 0.00 28.75 29.22 1u97 h GLU 29 CO 0.16 0.73 0.11 -0.22 -1.40 0.00 0.00 179.01 178.40 1u97 h LYS 30 N 0.80 0.70 -0.67 2.33 3.64 -1.57 -1.81 116.57 119.99 1u97 h LYS 30 Ca 0.18 -0.17 -0.04 0.00 -1.27 0.00 0.00 60.65 59.35 1u97 h LYS 30 Cb 0.27 -0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 31.97 1u97 h LYS 30 CO -0.00 0.70 0.26 0.93 -2.27 0.00 0.00 179.45 179.07 1u97 h GLU 31 N 0.58 1.02 -0.34 1.90 5.08 -1.42 -2.01 114.58 119.38 1u97 h GLU 31 Ca 0.14 -0.19 -0.01 0.00 -1.00 0.00 0.00 59.36 58.30 1u97 h GLU 31 Cb 0.31 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.38 1u97 h GLU 31 CO 0.00 0.85 0.18 0.93 -1.00 0.00 0.00 179.01 179.97 1u97 h GLU 32 N 0.96 0.48 0.28 2.33 5.08 -1.19 -0.35 114.58 122.16 1u97 h GLU 32 Ca 0.22 -0.06 -0.00 0.00 -1.00 0.00 0.00 59.36 58.52 1u97 h GLU 32 Cb 0.22 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.37 1u97 h GLU 32 CO -0.02 0.41 -0.22 -0.09 -1.00 0.00 0.00 179.01 178.09 1u97 h ARG 33 N 0.43 -0.49 0.70 2.33 2.43 -1.14 -0.39 114.38 118.25 1u97 h ARG 33 Ca 0.12 0.03 -0.03 0.00 -0.81 0.00 0.00 59.98 59.30 1u97 h ARG 33 Cb 0.07 0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.72 1u97 h ARG 33 CO -0.02 -0.32 -0.48 -0.44 -1.51 0.00 0.00 179.97 177.20 1u97 h ASP 34 N -0.50 -1.24 -0.92 -3.80 3.32 -1.29 -1.50 116.42 110.48 1u97 h ASP 34 Ca -0.02 0.08 0.26 0.00 0.02 0.00 0.00 57.03 57.37 1u97 h ASP 34 Cb 0.45 0.38 -0.04 0.00 0.22 0.00 0.00 39.33 40.33 1u97 h ASP 34 CO -0.01 -0.71 0.65 0.74 -1.72 0.00 0.00 179.24 178.19 1u97 h THR 35 N -1.12 0.56 -0.26 0.35 2.02 -1.04 0.17 112.91 113.59 1u97 h THR 35 Ca -0.09 -0.02 -0.12 0.00 0.77 0.00 0.00 66.41 66.94 1u97 h THR 35 Cb 0.92 0.48 -0.00 0.00 -1.74 0.00 0.00 68.15 67.81 1u97 h THR 35 CO 0.06 0.01 -0.31 0.00 0.37 0.00 0.00 175.52 175.65 1u97 h ILE 37 N 0.39 1.30 0.01 0.00 2.04 0.26 0.04 117.51 121.56 1u97 h ILE 37 Ca 0.04 -1.71 -0.25 0.00 1.00 0.00 0.00 64.86 63.94 1u97 h ILE 37 Cb 0.88 1.94 -0.03 0.00 -0.74 0.00 0.00 36.82 38.86 1u97 h ILE 37 CO 0.07 0.48 -1.28 -0.07 0.00 0.00 0.00 178.15 177.35 1u97 h LEU 38 N 0.00 0.05 0.00 1.44 -0.00 -1.04 -2.50 115.31 113.26 1u97 h LEU 38 Ca -0.00 -0.07 0.00 0.00 -0.00 0.00 0.00 57.88 57.81 1u97 h LEU 38 Cb 0.90 -0.02 0.00 0.00 -0.00 0.00 0.00 40.66 41.54 1u97 h LEU 38 CO 0.06 1.05 -0.10 0.15 -0.00 0.00 0.00 178.44 179.60 1u97 h PHE 39 N 0.01 0.00 0.33 1.13 3.04 -0.81 -3.41 116.94 117.23 1u97 h PHE 39 Ca -0.12 0.00 -0.02 0.00 3.98 0.00 0.00 57.97 61.81 1u97 h PHE 39 Cb 1.88 0.00 0.00 0.00 2.56 0.00 0.00 35.95 40.39 1u97 h PHE 39 CO 0.01 0.00 -0.16 -0.91 -2.02 0.00 0.00 178.31 175.23 1u97 h ASN 40 N -0.70 -0.38 -4.06 0.41 -0.26 -1.19 -3.50 115.58 105.90 1u97 h ASN 40 Ca 0.00 -0.17 0.00 0.00 -0.56 0.00 0.00 56.30 55.57 1u97 h ASN 40 Cb 0.10 0.10 0.00 0.00 -1.06 0.00 0.00 38.32 37.46 1u97 h ASN 40 CO 0.00 0.02 0.00 0.61 -1.06 0.00 0.00 177.43 177.00 1u97 n GLY 41 N -0.17 2.61 0.71 2.83 0.00 -0.94 -4.82 105.19 105.42 1u97 n GLY 41 Ca -0.09 -1.81 0.12 0.00 0.00 0.00 0.00 46.02 44.23 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 -1.94 1.74 0.00 1.61 10.64 -1.24 -4.12 117.38 124.07 1u97 n GLN 42 Ca 0.00 -1.44 0.06 0.00 -1.83 0.00 0.00 57.00 53.79 1u97 n GLN 42 Cb 0.00 -1.47 0.01 0.00 -0.86 0.00 0.00 30.24 27.92 1u97 n GLN 42 CO 0.00 0.00 0.00 -0.40 -1.83 0.00 0.00 177.06 174.83 1u97 n ASP 43 N 0.63 1.50 -4.85 2.61 5.68 -1.26 -5.01 116.55 115.84 1u97 n ASP 43 Ca 0.12 -1.25 -0.31 0.00 -0.50 0.00 0.00 54.79 52.85 1u97 n ASP 43 Cb 0.53 0.34 0.02 0.00 -1.14 0.00 0.00 41.12 40.86 1u97 n ASP 43 CO 0.00 0.00 0.00 -0.55 -1.33 0.00 0.00 177.20 175.32 1u97 s SER 44 N -1.34 5.98 -0.11 -1.12 0.15 -1.26 -5.00 113.70 111.01 1u97 s SER 44 Ca 0.11 1.53 0.15 0.00 0.70 0.00 0.00 55.95 58.44 1u97 s SER 44 Cb 0.09 -2.49 -0.22 0.00 -1.71 0.00 0.00 66.02 61.70 1u97 s SER 44 CO 0.25 -1.03 0.17 1.21 1.20 0.00 0.00 173.24 175.03 1u97 n GLU 45 N -2.66 1.10 0.00 5.44 2.13 -1.26 -4.33 120.64 121.06 1u97 n GLU 45 Ca 0.07 -0.06 0.12 0.00 0.66 0.00 0.00 57.16 57.95 1u97 n GLU 45 Cb 0.54 -1.40 0.59 0.00 0.27 0.00 0.00 31.44 31.44 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 -2.40 0.20 -0.10 5.31 4.76 -1.26 -2.55 118.16 122.12 1u97 n LYS 46 Ca -0.17 0.06 0.12 0.00 -2.87 0.00 0.00 58.31 55.44 1u97 n LYS 46 Cb 0.80 -1.50 0.28 0.00 -1.84 0.00 0.00 35.03 32.77 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 3.57 0.00 -0.63 0.00 1.57 -1.74 -3.31 116.57 116.03 1u97 h LYS 48 Ca 0.00 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.72 1u97 h LYS 48 Cb 0.78 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.06 1u97 h LYS 48 CO 0.00 0.00 0.17 0.93 -0.57 0.00 0.00 179.45 179.98 1u97 h GLU 49 N 0.00 1.00 -0.29 3.15 5.08 -1.78 -1.63 114.58 120.11 1u97 h GLU 49 Ca 0.00 -0.23 -0.13 0.00 -1.00 0.00 0.00 59.36 58.00 1u97 h GLU 49 Cb 0.87 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.97 1u97 h GLU 49 CO 0.00 0.90 -0.34 0.74 -1.00 0.00 0.00 179.01 179.31 1u97 h PHE 50 N 0.92 0.74 0.40 4.33 -1.00 -1.84 -1.32 116.94 119.15 1u97 h PHE 50 Ca 0.20 -0.20 -0.02 0.00 2.81 0.00 0.00 57.97 60.76 1u97 h PHE 50 Cb 0.34 -0.17 0.00 0.00 3.61 0.00 0.00 35.95 39.73 1u97 h PHE 50 CO 0.02 0.89 -0.19 0.82 -1.61 0.00 0.00 178.31 178.24 1u97 h ILE 51 N 0.53 0.59 -0.61 -0.55 2.04 -1.60 -1.09 117.51 116.82 1u97 h ILE 51 Ca 0.06 -0.33 -0.00 0.00 1.00 0.00 0.00 64.86 65.58 1u97 h ILE 51 Cb 0.84 0.76 -0.03 0.00 -0.74 0.00 0.00 36.82 37.65 1u97 h ILE 51 CO 0.07 0.06 0.37 1.05 0.00 0.00 0.00 178.15 179.70 1u97 h GLU 52 N -0.73 0.83 -0.79 2.37 4.11 -1.32 -1.09 114.58 117.96 1u97 h GLU 52 Ca -0.05 -0.07 -0.04 0.00 0.07 0.00 0.00 59.36 59.27 1u97 h GLU 52 Cb 0.51 -0.18 -0.04 0.00 0.50 0.00 0.00 28.75 29.55 1u97 h GLU 52 CO 0.09 0.58 0.33 -0.22 0.07 0.00 0.00 179.01 179.86 1u97 h LYS 53 N 0.84 1.17 -0.07 1.06 3.64 -1.10 -1.92 116.57 120.19 1u97 h LYS 53 Ca 0.22 -0.20 -0.13 0.00 -1.27 0.00 0.00 60.65 59.27 1u97 h LYS 53 Cb -0.04 -0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 31.58 1u97 h LYS 53 CO -0.04 0.93 -0.55 -0.92 -2.27 0.00 0.00 179.45 176.60 1u97 h TYR 54 N 1.14 0.27 0.10 1.91 3.20 -0.36 -0.85 116.97 122.38 1u97 h TYR 54 Ca 0.27 -0.09 -0.00 0.00 3.14 0.00 0.00 58.73 62.04 1u97 h TYR 54 Cb 0.19 -0.05 0.00 0.00 1.54 0.00 0.00 36.73 38.41 1u97 h TYR 54 CO 0.02 0.72 -0.05 -0.22 -1.64 0.00 0.00 178.16 176.99 1u97 h LYS 55 N 0.16 -0.13 -0.23 1.82 3.64 -0.68 -1.33 116.57 119.83 1u97 h LYS 55 Ca 0.00 0.01 -0.20 0.00 -1.27 0.00 0.00 60.65 59.19 1u97 h LYS 55 Cb 1.02 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.88 1u97 h LYS 55 CO 0.08 0.12 -0.62 1.05 -2.27 0.00 0.00 179.45 177.82 1u97 h GLU 56 N -0.38 0.82 -0.85 1.90 4.11 -1.39 -1.12 114.58 117.67 1u97 h GLU 56 Ca -0.01 -0.58 -0.02 0.00 0.07 0.00 0.00 59.36 58.82 1u97 h GLU 56 Cb 0.31 0.09 -0.04 0.00 0.50 0.00 0.00 28.75 29.62 1u97 h GLU 56 CO 0.02 1.20 0.47 0.00 0.07 0.00 0.00 179.01 180.77 1u97 h MET 58 N 1.18 0.55 0.00 0.00 1.85 -1.26 -3.18 114.93 114.08 1u97 h MET 58 Ca 0.30 -0.66 0.00 0.00 -0.61 0.00 0.00 59.70 58.73 1u97 h MET 58 Cb 0.03 0.20 0.00 0.00 0.43 0.00 0.00 31.60 32.26 1u97 h MET 58 CO -0.05 1.27 0.00 -0.22 -0.40 0.00 0.00 176.91 177.51 1u97 h LYS 59 N 0.13 0.00 0.00 0.39 3.64 -1.04 -2.14 116.57 117.55 1u97 h LYS 59 Ca -0.13 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.22 1u97 h LYS 59 Cb 1.64 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 33.46 1u97 h LYS 59 CO 0.18 0.00 -0.12 0.78 -2.27 0.00 0.00 179.45 178.02 1u97 h GLY 60 N 1.91 0.00 -0.30 5.01 0.00 -0.62 -2.74 103.07 106.33 1u97 h GLY 60 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1u97 h GLY 60 CO 0.00 0.00 -0.05 -1.72 0.00 0.00 0.00 176.54 174.77 1u97 n TYR 61 N -4.05 0.00 -0.16 5.60 4.02 -1.04 -5.08 117.16 116.46 1u97 n TYR 61 Ca -0.02 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.87 1u97 n TYR 61 Cb 0.20 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.52 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 0.47 2.04 3.65 2.72 0.00 -0.83 -3.54 105.19 109.68 1u97 n GLY 62 Ca 0.02 -0.04 -0.04 0.00 0.00 0.00 0.00 46.02 45.96 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 0.44 -0.21 0.00 1.61 5.36 -1.26 -4.20 117.98 119.71 1u97 s PHE 63 Ca 0.00 0.50 0.00 0.00 -0.96 0.00 0.00 56.93 56.47 1u97 s PHE 63 Cb 0.00 0.40 0.00 0.00 -0.34 0.00 0.00 43.02 43.08 1u97 s PHE 63 CO 0.00 -0.10 0.00 -1.91 -1.46 0.00 0.00 175.22 171.75 1u97 n GLU 64 N 2.04 0.00 -1.73 10.12 4.07 -1.26 -4.91 120.64 128.98 1u97 n GLU 64 Ca -0.12 0.00 -0.37 0.00 -0.06 0.00 0.00 57.16 56.61 1u97 n GLU 64 Cb 0.57 0.00 0.07 0.00 -0.06 0.00 0.00 31.44 32.02 1u97 n GLU 64 CO 0.00 0.00 0.00 0.14 -0.06 0.00 0.00 177.13 177.21 1u97 s VAL 65 N -0.43 2.01 0.59 6.31 -7.23 -1.26 -4.98 120.40 115.41 1u97 s VAL 65 Ca 0.00 0.00 -0.17 0.00 -1.81 0.00 0.00 61.98 60.01 1u97 s VAL 65 Cb 0.00 -2.99 -0.03 0.00 0.56 0.00 0.00 36.38 33.91 1u97 s VAL 65 CO 0.00 -0.00 1.09 -2.16 -0.31 0.00 0.00 175.10 173.72 1u97 s PRO 66 N -3.39 3.19 -0.10 4.82 0.04 -1.26 -5.06 135.00 133.24 1u97 s PRO 66 Ca 0.83 1.37 -0.02 0.00 0.04 0.00 0.00 61.00 63.22 1u97 s PRO 66 Cb -0.38 -2.00 0.04 0.00 0.04 0.00 0.00 34.50 32.20 1u97 s PRO 66 CO 0.40 -0.94 0.02 -1.54 0.04 0.00 0.00 177.00 174.99 1u97 s SER 67 N -2.41 1.90 0.22 6.66 1.04 -1.26 -5.14 113.70 114.70 1u97 s SER 67 Ca 0.67 -0.28 0.09 0.00 0.48 0.00 0.00 55.95 56.91 1u97 s SER 67 Cb -0.19 -0.42 -0.05 0.00 0.10 0.00 0.00 66.02 65.46 1u97 s SER 67 CO 0.35 -0.24 -0.16 0.00 0.98 0.00 0.00 173.24 174.17 1u97 s ALA 68 N 1.98 2.15 -2.21 5.32 0.00 -1.26 -5.30 121.76 122.44 1u97 s ALA 68 Ca 0.03 -1.69 0.30 0.00 0.00 0.00 0.00 51.96 50.60 1u97 s ALA 68 Cb -0.14 -0.12 1.55 0.00 0.00 0.00 0.00 23.12 24.41 1u97 s ALA 68 CO -0.06 0.11 2.03 0.09 0.00 0.00 0.00 175.76 177.93