#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u96 n THR 2 N 0.00 0.00 -0.10 2.03 -1.04 -1.26 -4.96 114.28 108.95 1u96 n THR 2 Ca 0.00 0.00 -0.17 0.00 -2.04 0.00 0.00 64.05 61.84 1u96 n THR 2 Cb 0.00 0.00 -0.09 0.00 -1.82 0.00 0.00 70.33 68.42 1u96 n THR 2 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1u96 n GLU 3 N -0.90 0.49 -3.60 -2.82 -0.58 -1.26 -4.97 120.64 107.00 1u96 n GLU 3 Ca 0.00 0.14 -0.37 0.00 -0.42 0.00 0.00 57.16 56.51 1u96 n GLU 3 Cb 0.00 -1.36 -0.07 0.00 -0.57 0.00 0.00 31.44 29.45 1u96 n GLU 3 CO 0.00 0.00 0.00 0.95 -0.48 0.00 0.00 177.13 177.60 1u96 s THR 4 N -2.40 5.27 -0.19 2.62 -4.23 -1.26 -4.98 115.64 110.48 1u96 s THR 4 Ca -0.28 0.56 0.21 0.00 -1.18 0.00 0.00 61.69 60.99 1u96 s THR 4 Cb 0.09 -3.60 -0.07 0.00 1.34 0.00 0.00 72.50 70.25 1u96 s THR 4 CO 0.44 0.49 0.92 -0.67 -0.54 0.00 0.00 174.62 175.26 1u96 n ASP 5 N 2.73 0.76 -2.70 3.99 2.03 -1.26 -4.85 116.55 117.26 1u96 n ASP 5 Ca -0.14 0.31 -0.03 0.00 0.52 0.00 0.00 54.79 55.45 1u96 n ASP 5 Cb 0.53 0.52 -0.02 0.00 -0.72 0.00 0.00 41.12 41.42 1u96 n ASP 5 CO 0.00 0.00 0.00 1.17 -1.92 0.00 0.00 177.20 176.45 1u96 n LYS 6 N -2.70 -3.87 -3.76 -0.67 3.00 -1.26 -5.07 118.16 103.84 1u96 n LYS 6 Ca -0.03 3.01 -0.12 0.00 -0.00 0.00 0.00 58.31 61.16 1u96 n LYS 6 Cb 0.64 -4.92 -0.12 0.00 0.00 0.00 0.00 35.03 30.63 1u96 n LYS 6 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.40 175.81 1u96 s LYS 7 N -1.08 0.32 0.00 1.64 -2.85 -1.26 -5.03 119.74 111.48 1u96 s LYS 7 Ca -0.14 0.47 0.00 0.00 -1.00 0.00 0.00 55.97 55.29 1u96 s LYS 7 Cb 0.01 0.09 0.00 0.00 -2.06 0.00 0.00 37.83 35.87 1u96 s LYS 7 CO 0.74 -0.08 0.26 1.04 0.10 0.00 0.00 175.35 177.41 1u96 n GLN 8 N 3.32 2.12 -2.41 1.78 3.00 -1.26 -5.05 117.38 118.87 1u96 n GLN 8 Ca -0.16 -0.26 -0.36 0.00 -0.01 0.00 0.00 57.00 56.20 1u96 n GLN 8 Cb 0.57 -0.74 -0.02 0.00 0.00 0.00 0.00 30.24 30.04 1u96 n GLN 8 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.06 175.85 1u96 s GLU 9 N -0.38 3.89 0.21 -1.09 0.41 -1.26 -4.74 118.70 115.74 1u96 s GLU 9 Ca 0.00 1.60 0.00 0.00 -0.41 0.00 0.00 54.97 56.16 1u96 s GLU 9 Cb 0.00 -2.38 0.00 0.00 -1.78 0.00 0.00 34.13 29.97 1u96 s GLU 9 CO 0.00 -0.40 0.00 0.94 -0.49 0.00 0.00 175.26 175.31 1u96 n GLN 10 N -0.46 -4.24 -1.68 1.61 -0.06 -1.26 -5.02 117.38 106.27 1u96 n GLN 10 Ca 0.07 3.09 -0.25 0.00 -2.00 0.00 0.00 57.00 57.91 1u96 n GLN 10 Cb 0.50 -3.27 0.17 0.00 -4.06 0.00 0.00 30.24 23.58 1u96 n GLN 10 CO 0.00 0.00 0.00 0.39 -0.20 0.00 0.00 177.06 177.25 1u96 n GLU 11 N 1.07 -1.08 -0.11 3.69 -0.58 -1.26 -5.04 120.64 117.33 1u96 n GLU 11 Ca 0.00 -1.81 -0.17 0.00 -0.42 0.00 0.00 57.16 54.76 1u96 n GLU 11 Cb 0.00 -1.16 -0.13 0.00 -0.57 0.00 0.00 31.44 29.58 1u96 n GLU 11 CO 0.00 0.00 0.00 0.27 -0.48 0.00 0.00 177.13 176.92 1u96 n ASN 12 N -3.71 1.62 -2.22 1.62 6.94 -1.26 -5.10 115.26 113.15 1u96 n ASN 12 Ca 0.14 -0.09 -0.00 0.00 -0.02 0.00 0.00 54.58 54.62 1u96 n ASN 12 Cb 0.50 -0.18 -0.00 0.00 -2.36 0.00 0.00 39.78 37.74 1u96 n ASN 12 CO 0.00 0.00 0.00 1.57 -1.03 0.00 0.00 177.26 177.80 1u96 n HIS 13 N -3.18 -4.34 -3.65 -2.53 -0.00 -1.26 -5.08 115.22 95.17 1u96 n HIS 13 Ca -0.42 2.58 -0.06 0.00 0.46 0.00 0.00 57.72 60.28 1u96 n HIS 13 Cb 1.02 -3.67 -0.07 0.00 -0.12 0.00 0.00 29.99 27.16 1u96 n HIS 13 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1u96 s ALA 14 N -0.54 -1.77 0.30 1.57 0.00 -1.26 -5.17 121.76 114.89 1u96 s ALA 14 Ca -0.01 2.21 0.10 0.00 0.00 0.00 0.00 51.96 54.27 1u96 s ALA 14 Cb 0.00 -1.47 -0.06 0.00 0.00 0.00 0.00 23.12 21.60 1u96 s ALA 14 CO 0.02 -0.57 -0.14 -1.21 0.00 0.00 0.00 175.76 173.86 1u96 s GLU 15 N 2.08 1.69 -0.04 0.00 0.41 -1.26 -5.04 118.70 116.54 1u96 s GLU 15 Ca -0.08 -1.82 0.12 0.00 -0.41 0.00 0.00 54.97 52.78 1u96 s GLU 15 Cb -0.08 -1.64 0.35 0.00 -1.78 0.00 0.00 34.13 30.98 1u96 s GLU 15 CO -0.18 0.22 1.28 0.00 -0.49 0.00 0.00 175.26 176.10 1u96 s GLU 17 N -1.45 4.08 0.46 0.00 0.41 -1.25 -4.55 118.70 116.39 1u96 s GLU 17 Ca 0.27 1.15 0.03 0.00 -0.41 0.00 0.00 54.97 56.01 1u96 s GLU 17 Cb 0.17 -2.15 -0.03 0.00 -1.78 0.00 0.00 34.13 30.34 1u96 s GLU 17 CO 0.13 -0.17 0.05 -0.51 -0.49 0.00 0.00 175.26 174.28 1u96 s ASP 18 N -2.27 3.55 0.24 -0.19 1.01 -1.26 -4.33 116.67 113.42 1u96 s ASP 18 Ca 0.63 -1.62 0.00 0.00 0.71 0.00 0.00 52.55 52.27 1u96 s ASP 18 Cb -0.11 0.40 0.00 0.00 1.01 0.00 0.00 42.92 44.22 1u96 s ASP 18 CO 0.17 -0.83 0.00 0.29 0.21 0.00 0.00 175.17 175.02 1u96 n LYS 19 N -1.08 -4.26 -0.04 8.23 4.76 -1.26 -4.97 118.16 119.54 1u96 n LYS 19 Ca -0.12 3.09 -0.02 0.00 -2.87 0.00 0.00 58.31 58.39 1u96 n LYS 19 Cb 0.66 -3.32 -0.01 0.00 -1.84 0.00 0.00 35.03 30.53 1u96 n LYS 19 CO 0.00 0.00 0.00 -1.00 -1.37 0.00 0.00 177.40 175.03 1u96 h PRO 20 N 2.84 0.00 -0.18 1.97 0.13 -1.96 -3.46 132.00 131.34 1u96 h PRO 20 Ca 0.00 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 65.14 1u96 h PRO 20 Cb 0.00 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 30.98 1u96 h PRO 20 CO 0.00 0.00 -0.12 1.17 -0.23 0.00 0.00 178.00 178.82 1u96 n LYS 21 N -3.59 0.10 -1.50 0.86 3.00 -1.26 -5.10 118.16 110.68 1u96 n LYS 21 Ca -0.03 -0.78 -0.28 0.00 -0.00 0.00 0.00 58.31 57.22 1u96 n LYS 21 Cb 0.12 0.13 -0.21 0.00 0.00 0.00 0.00 35.03 35.07 1u96 n LYS 21 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.40 175.10 1u96 n PRO 22 N 2.55 0.00 -3.83 1.64 -0.02 -1.26 -4.78 135.00 129.30 1u96 n PRO 22 Ca 0.11 -0.00 -0.07 0.00 -2.02 0.00 0.00 63.50 61.52 1u96 n PRO 22 Cb 0.65 -1.15 0.02 0.00 -0.02 0.00 0.00 33.50 33.00 1u96 n PRO 22 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1u96 n VAL 25 N -2.38 0.00 -2.50 0.00 3.14 -1.26 -5.09 118.33 110.24 1u96 n VAL 25 Ca -0.13 0.00 -0.42 0.00 -2.96 0.00 0.00 64.34 60.82 1u96 n VAL 25 Cb 0.56 0.00 -0.03 0.00 -1.06 0.00 0.00 33.84 33.31 1u96 n VAL 25 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1u96 n LYS 27 N 5.38 0.00 0.03 0.00 0.00 -1.26 -4.90 118.16 117.42 1u96 n LYS 27 Ca 0.11 0.00 -0.19 0.00 0.00 0.00 0.00 58.31 58.22 1u96 n LYS 27 Cb 0.46 0.00 -0.11 0.00 0.00 0.00 0.00 35.03 35.38 1u96 n LYS 27 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.40 176.40 1u96 h PRO 28 N 0.00 0.58 0.00 1.64 0.13 -2.01 -3.17 132.00 129.17 1u96 h PRO 28 Ca 0.00 -0.65 -0.00 0.00 -0.87 0.00 0.00 66.00 64.48 1u96 h PRO 28 Cb 0.00 0.19 0.00 0.00 0.13 0.00 0.00 31.00 31.32 1u96 h PRO 28 CO 0.00 1.25 -0.00 1.49 -0.23 0.00 0.00 178.00 180.51 1u96 h GLU 29 N 0.18 -0.00 -0.66 0.86 4.22 -1.93 -1.90 114.58 115.34 1u96 h GLU 29 Ca -0.12 0.00 0.10 0.00 0.08 0.00 0.00 59.36 59.42 1u96 h GLU 29 Cb 1.58 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.79 1u96 h GLU 29 CO 0.18 0.09 0.44 1.57 -2.18 0.00 0.00 179.01 179.11 1u96 h LYS 30 N -0.10 0.49 -0.02 1.92 2.10 -1.93 -0.45 116.57 118.59 1u96 h LYS 30 Ca -0.00 -0.03 -0.00 0.00 -2.00 0.00 0.00 60.65 58.62 1u96 h LYS 30 Cb 0.10 -0.11 -0.00 0.00 -0.90 0.00 0.00 32.23 31.32 1u96 h LYS 30 CO 0.00 0.32 -0.01 1.49 -2.00 0.00 0.00 179.45 179.26 1u96 h GLU 31 N 0.51 0.03 -0.35 0.07 4.57 -1.44 -1.37 114.58 116.61 1u96 h GLU 31 Ca 0.30 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.47 1u96 h GLU 31 Cb 0.52 -0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.09 1u96 h GLU 31 CO -0.10 0.46 0.23 0.93 -1.18 0.00 0.00 179.01 179.35 1u96 h GLU 32 N -0.39 0.46 -0.90 1.92 5.08 -0.73 -1.71 114.58 118.31 1u96 h GLU 32 Ca 0.00 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.33 1u96 h GLU 32 Cb 0.45 -0.10 -0.04 0.00 0.50 0.00 0.00 28.75 29.55 1u96 h GLU 32 CO 0.00 0.30 0.53 -0.09 -1.00 0.00 0.00 179.01 178.76 1u96 h ARG 33 N 0.47 1.22 -0.43 2.33 2.43 -1.13 -1.75 114.38 117.52 1u96 h ARG 33 Ca 0.13 -0.11 0.01 0.00 -0.81 0.00 0.00 59.98 59.19 1u96 h ARG 33 Cb -0.05 -0.25 -0.02 0.00 -0.42 0.00 0.00 29.97 29.22 1u96 h ARG 33 CO -0.03 0.86 0.27 0.22 -1.51 0.00 0.00 179.97 179.79 1u96 h ASP 34 N 1.24 0.47 -0.73 -3.80 3.58 -0.75 -0.59 116.42 115.84 1u96 h ASP 34 Ca 0.32 -0.01 0.01 0.00 0.42 0.00 0.00 57.03 57.77 1u96 h ASP 34 Cb -0.04 -0.11 -0.04 0.00 1.72 0.00 0.00 39.33 40.86 1u96 h ASP 34 CO -0.06 0.34 0.48 0.74 -2.88 0.00 0.00 179.24 177.86 1u96 h THR 35 N 0.56 1.19 -0.37 2.25 2.02 -0.82 0.26 112.91 117.99 1u96 h THR 35 Ca 0.16 -0.34 -0.04 0.00 0.77 0.00 0.00 66.41 66.97 1u96 h THR 35 Cb -0.04 0.11 -0.02 0.00 -1.74 0.00 0.00 68.15 66.46 1u96 h THR 35 CO -0.05 0.18 0.08 0.00 0.37 0.00 0.00 175.52 176.10 1u96 h ILE 37 N 0.54 1.22 -0.11 0.00 2.04 -0.19 -1.74 117.51 119.27 1u96 h ILE 37 Ca 0.13 -2.05 -0.06 0.00 1.00 0.00 0.00 64.86 63.88 1u96 h ILE 37 Cb 0.23 2.17 -0.00 0.00 -0.74 0.00 0.00 36.82 38.47 1u96 h ILE 37 CO -0.00 0.55 -0.16 0.25 0.00 0.00 0.00 178.15 178.78 1u96 h LEU 38 N 0.00 0.33 0.04 1.44 7.12 0.02 -0.32 115.31 123.95 1u96 h LEU 38 Ca -0.01 -0.53 -0.00 0.00 0.13 0.00 0.00 57.88 57.47 1u96 h LEU 38 Cb 1.12 -0.09 0.00 0.00 -0.53 0.00 0.00 40.66 41.16 1u96 h LEU 38 CO 0.07 0.80 -0.02 -0.26 -0.13 0.00 0.00 178.44 178.90 1u96 h PHE 39 N -0.13 -0.05 0.16 1.25 0.04 -1.37 -3.39 116.94 113.45 1u96 h PHE 39 Ca 0.01 -0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.77 1u96 h PHE 39 Cb 0.73 0.02 0.00 0.00 2.20 0.00 0.00 35.95 38.89 1u96 h PHE 39 CO 0.10 0.55 -0.08 -0.91 -0.60 0.00 0.00 178.31 177.38 1u96 h ASN 40 N -0.72 -0.18 -0.18 2.17 2.35 -1.44 -3.51 115.58 114.08 1u96 h ASN 40 Ca -0.01 0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1u96 h ASN 40 Cb 0.63 0.05 0.00 0.00 0.05 0.00 0.00 38.32 39.04 1u96 h ASN 40 CO 0.01 0.07 0.00 0.61 -1.65 0.00 0.00 177.43 176.47 1u96 n GLY 41 N 0.95 1.27 0.05 2.83 0.00 -0.13 -4.94 105.19 105.23 1u96 n GLY 41 Ca -0.03 -1.19 0.09 0.00 0.00 0.00 0.00 46.02 44.89 1u96 n GLY 41 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1u96 n GLN 42 N -1.04 0.08 -3.42 1.61 3.00 -1.25 -4.51 117.38 111.84 1u96 n GLN 42 Ca 0.00 0.29 0.01 0.00 -0.01 0.00 0.00 57.00 57.29 1u96 n GLN 42 Cb 0.00 -1.64 -0.04 0.00 0.00 0.00 0.00 30.24 28.56 1u96 n GLN 42 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.06 177.40 1u96 s ASP 43 N -3.49 -0.71 0.00 1.08 -1.08 -1.26 -5.01 116.67 106.20 1u96 s ASP 43 Ca 0.07 0.91 0.00 0.00 -0.52 0.00 0.00 52.55 53.01 1u96 s ASP 43 Cb 0.10 1.78 0.00 0.00 -1.46 0.00 0.00 42.92 43.35 1u96 s ASP 43 CO 0.34 -0.14 0.03 -0.24 0.52 0.00 0.00 175.17 175.68 1u96 n SER 44 N 5.11 0.00 -2.15 -0.34 2.88 -1.26 -4.98 113.62 112.87 1u96 n SER 44 Ca -0.09 -0.53 -0.18 0.00 -1.33 0.00 0.00 58.87 56.74 1u96 n SER 44 Cb 0.52 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.95 1u96 n SER 44 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1u96 n GLU 45 N 0.00 -1.73 -0.04 -1.46 -0.58 -1.26 -4.84 120.64 110.73 1u96 n GLU 45 Ca 0.00 0.93 -0.14 0.00 -0.42 0.00 0.00 57.16 57.53 1u96 n GLU 45 Cb 0.26 -5.48 -0.14 0.00 -0.57 0.00 0.00 31.44 25.52 1u96 n GLU 45 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 1u96 n LYS 46 N -2.72 0.68 -0.40 3.49 4.76 -1.26 -4.10 118.16 118.61 1u96 n LYS 46 Ca -0.20 0.22 0.08 0.00 -2.87 0.00 0.00 58.31 55.53 1u96 n LYS 46 Cb 0.64 -1.69 0.27 0.00 -1.84 0.00 0.00 35.03 32.41 1u96 n LYS 46 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1u96 h LYS 48 N 3.22 0.38 -0.94 0.00 2.10 -1.96 -2.50 116.57 116.87 1u96 h LYS 48 Ca 0.00 -0.07 0.04 0.00 -2.00 0.00 0.00 60.65 58.62 1u96 h LYS 48 Cb 1.01 -0.06 -0.06 0.00 -0.90 0.00 0.00 32.23 32.22 1u96 h LYS 48 CO 0.11 0.41 0.61 0.93 -2.00 0.00 0.00 179.45 179.51 1u96 h GLU 49 N 0.37 1.15 -0.23 0.07 5.08 -1.87 -1.46 114.58 117.69 1u96 h GLU 49 Ca 0.09 -0.07 -0.06 0.00 -1.00 0.00 0.00 59.36 58.31 1u96 h GLU 49 Cb 0.24 -0.26 -0.01 0.00 0.50 0.00 0.00 28.75 29.22 1u96 h GLU 49 CO 0.01 0.76 -0.13 0.74 -1.00 0.00 0.00 179.01 179.38 1u96 h PHE 50 N 1.18 0.40 0.18 4.33 0.04 -1.77 -1.07 116.94 120.23 1u96 h PHE 50 Ca 0.38 -0.05 -0.01 0.00 2.80 0.00 0.00 57.97 61.08 1u96 h PHE 50 Cb 0.01 -0.11 0.00 0.00 2.20 0.00 0.00 35.95 38.05 1u96 h PHE 50 CO -0.01 0.50 -0.09 0.82 -0.60 0.00 0.00 178.31 178.93 1u96 h ILE 51 N 0.35 0.92 -0.41 -0.55 2.04 -1.24 -1.00 117.51 117.62 1u96 h ILE 51 Ca 0.07 -0.75 -0.00 0.00 1.00 0.00 0.00 64.86 65.18 1u96 h ILE 51 Cb 0.45 1.36 -0.02 0.00 -0.74 0.00 0.00 36.82 37.87 1u96 h ILE 51 CO 0.03 0.17 0.25 -0.33 0.00 0.00 0.00 178.15 178.26 1u96 h GLU 52 N -0.63 0.55 -0.74 2.37 5.08 -1.31 -2.00 114.58 117.89 1u96 h GLU 52 Ca -0.03 -0.05 0.02 0.00 -1.00 0.00 0.00 59.36 58.31 1u96 h GLU 52 Cb 0.46 -0.12 -0.04 0.00 0.50 0.00 0.00 28.75 29.55 1u96 h GLU 52 CO 0.04 0.40 0.49 0.87 -1.00 0.00 0.00 179.01 179.81 1u96 h LYS 53 N 0.54 0.93 0.79 2.33 1.57 -1.22 -2.09 116.57 119.43 1u96 h LYS 53 Ca 0.15 -0.06 -0.04 0.00 -1.87 0.00 0.00 60.65 58.83 1u96 h LYS 53 Cb -0.02 -0.21 0.01 0.00 0.08 0.00 0.00 32.23 32.09 1u96 h LYS 53 CO -0.03 0.62 -0.38 -0.92 -0.57 0.00 0.00 179.45 178.17 1u96 h TYR 54 N 0.96 -0.98 -0.22 -1.35 3.20 -0.57 -0.18 116.97 117.83 1u96 h TYR 54 Ca 0.28 -0.02 0.05 0.00 3.14 0.00 0.00 58.73 62.18 1u96 h TYR 54 Cb -0.05 0.33 -0.07 0.00 1.54 0.00 0.00 36.73 38.47 1u96 h TYR 54 CO -0.00 -0.60 -0.38 0.87 -1.64 0.00 0.00 178.16 176.41 1u96 h LYS 55 N -1.11 -0.39 0.00 1.82 1.57 -1.15 0.19 116.57 117.51 1u96 h LYS 55 Ca -0.11 0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.69 1u96 h LYS 55 Cb 0.82 0.09 -0.00 0.00 0.08 0.00 0.00 32.23 33.22 1u96 h LYS 55 CO 0.18 -0.26 -0.03 1.05 -0.57 0.00 0.00 179.45 179.82 1u96 h GLU 56 N -0.40 0.00 0.00 3.15 4.11 -1.39 0.25 114.58 120.30 1u96 h GLU 56 Ca 0.11 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.54 1u96 h GLU 56 Cb 0.58 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.83 1u96 h GLU 56 CO -0.44 0.03 0.00 0.00 0.07 0.00 0.00 179.01 178.67 1u96 h MET 58 N 0.00 0.00 0.00 0.00 2.86 0.13 -3.37 114.93 114.55 1u96 h MET 58 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1u96 h MET 58 Cb 0.84 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.50 1u96 h MET 58 CO 0.00 0.00 0.03 1.57 1.06 0.00 0.00 176.91 179.57 1u96 h LYS 59 N -0.38 0.00 -2.36 1.72 5.09 -1.45 -2.50 116.57 116.68 1u96 h LYS 59 Ca 0.00 0.00 -0.43 0.00 0.09 0.00 0.00 60.65 60.31 1u96 h LYS 59 Cb 0.15 0.00 -0.06 0.00 0.10 0.00 0.00 32.23 32.42 1u96 h LYS 59 CO 0.00 0.00 1.28 0.41 -2.09 0.00 0.00 179.45 179.05 1u96 n GLY 60 N -1.28 3.78 2.80 0.07 0.00 -1.08 -4.73 105.19 104.76 1u96 n GLY 60 Ca -0.02 -1.47 -0.04 0.00 0.00 0.00 0.00 46.02 44.49 1u96 n GLY 60 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1u96 n TYR 61 N 2.53 -3.68 0.00 1.61 9.36 -1.19 -4.94 117.16 120.84 1u96 n TYR 61 Ca 0.57 1.58 0.00 0.00 3.32 0.00 0.00 57.90 63.36 1u96 n TYR 61 Cb 0.60 -3.93 0.00 0.00 -0.63 0.00 0.00 39.34 35.38 1u96 n TYR 61 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1u96 n GLY 62 N 0.31 0.01 3.39 2.98 0.00 -1.11 -4.99 105.19 105.79 1u96 n GLY 62 Ca 0.05 -0.01 -0.14 0.00 0.00 0.00 0.00 46.02 45.92 1u96 n GLY 62 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1u96 s PHE 63 N -0.69 -0.42 0.17 1.61 5.36 -0.96 -5.01 117.98 118.04 1u96 s PHE 63 Ca 0.00 0.45 -0.31 0.00 -0.96 0.00 0.00 56.93 56.11 1u96 s PHE 63 Cb 0.00 0.35 -0.09 0.00 -0.34 0.00 0.00 43.02 42.94 1u96 s PHE 63 CO 0.00 -0.65 1.39 -1.83 -1.46 0.00 0.00 175.22 172.67 1u96 s GLU 64 N -2.52 4.32 -0.16 10.12 -1.05 -1.26 -4.11 118.70 124.04 1u96 s GLU 64 Ca -0.05 2.14 -0.04 0.00 -0.15 0.00 0.00 54.97 56.87 1u96 s GLU 64 Cb -0.01 -3.19 0.08 0.00 -0.44 0.00 0.00 34.13 30.57 1u96 s GLU 64 CO -0.02 -0.39 0.22 0.08 0.95 0.00 0.00 175.26 176.10 1u96 s VAL 65 N 0.56 -0.34 0.11 1.83 1.01 -1.26 -4.62 120.40 117.69 1u96 s VAL 65 Ca 0.62 0.10 -0.32 0.00 0.00 0.00 0.00 61.98 62.38 1u96 s VAL 65 Cb -0.38 -0.53 -0.12 0.00 0.00 0.00 0.00 36.38 35.35 1u96 s VAL 65 CO 0.35 -0.04 1.59 -0.65 0.00 0.00 0.00 175.10 176.35 1u96 h PRO 66 N 8.32 -0.68 -1.58 2.72 0.11 -1.93 -3.46 132.00 135.49 1u96 h PRO 66 Ca -0.15 0.05 -0.37 0.00 0.11 0.00 0.00 66.00 65.63 1u96 h PRO 66 Cb 1.13 0.16 -0.12 0.00 0.11 0.00 0.00 31.00 32.28 1u96 h PRO 66 CO 0.21 -0.46 -0.37 0.43 -0.21 0.00 0.00 178.00 177.60 1u96 n SER 67 N -5.48 -4.95 -4.48 -2.05 7.64 -1.26 -4.90 113.62 98.13 1u96 n SER 67 Ca -0.08 0.37 -0.43 0.00 1.01 0.00 0.00 58.87 59.74 1u96 n SER 67 Cb 0.39 -4.37 -0.04 0.00 -1.01 0.00 0.00 64.21 59.18 1u96 n SER 67 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1u96 s ALA 68 N -2.64 3.10 -2.93 -0.43 0.00 -1.26 -5.07 121.76 112.52 1u96 s ALA 68 Ca 0.00 -1.63 0.25 0.00 0.00 0.00 0.00 51.96 50.57 1u96 s ALA 68 Cb 0.00 -3.85 0.30 0.00 0.00 0.00 0.00 23.12 19.57 1u96 s ALA 68 CO 0.00 -2.70 1.32 -1.71 0.00 0.00 0.00 175.76 172.67