#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xg0 n MET 2 N 0.00 2.58 0.00 0.00 1.56 -1.26 -5.12 117.12 114.88 1xg0 n MET 2 Ca 0.00 0.90 0.00 0.00 -0.27 0.00 0.00 57.70 58.33 1xg0 n MET 2 Cb 0.00 -3.03 0.00 0.00 2.15 0.00 0.00 33.22 32.34 1xg0 n MET 2 CO 0.00 0.00 0.00 -0.40 -0.73 0.00 0.00 175.97 174.84 1xg0 n ASP 3 N 8.47 0.00 0.00 6.12 5.68 -1.26 -5.16 116.55 130.41 1xg0 n ASP 3 Ca 0.23 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.52 1xg0 n ASP 3 Cb 0.41 -0.40 0.00 0.00 -1.14 0.00 0.00 41.12 39.99 1xg0 n ASP 3 CO 0.00 0.00 0.00 -1.54 -1.33 0.00 0.00 177.20 174.33 1xg0 n SER 5 N -2.31 0.00 -0.55 -1.12 3.41 -1.26 -5.10 113.62 106.69 1xg0 n SER 5 Ca 0.00 0.00 -0.07 0.00 -0.26 0.00 0.00 58.87 58.54 1xg0 n SER 5 Cb 0.00 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 63.92 1xg0 n SER 5 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1xg0 n ALA 6 N 0.00 -0.11 -1.93 7.33 0.00 -1.26 -4.82 120.51 119.72 1xg0 n ALA 6 Ca 0.00 0.12 -0.38 0.00 0.00 0.00 0.00 53.44 53.18 1xg0 n ALA 6 Cb 0.00 -1.39 -0.06 0.00 0.00 0.00 0.00 19.45 18.00 1xg0 n ALA 6 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1xg0 s LYS 7 N -2.35 4.50 0.05 0.00 1.02 -1.26 -0.72 119.74 120.98 1xg0 s LYS 7 Ca 0.00 1.16 -0.14 0.00 0.02 0.00 0.00 55.97 57.01 1xg0 s LYS 7 Cb 0.00 -2.98 0.02 0.00 -0.52 0.00 0.00 37.83 34.35 1xg0 s LYS 7 CO 0.00 0.41 0.30 0.00 -0.92 0.00 0.00 175.35 175.14 1xg0 s ALA 8 N -1.44 -0.67 0.39 5.17 0.00 -0.61 -4.94 121.76 119.66 1xg0 s ALA 8 Ca 0.44 -0.03 -0.28 0.00 0.00 0.00 0.00 51.96 52.09 1xg0 s ALA 8 Cb -0.20 0.35 -0.11 0.00 0.00 0.00 0.00 23.12 23.17 1xg0 s ALA 8 CO 0.24 -0.43 1.49 -2.14 0.00 0.00 0.00 175.76 174.92 1xg0 s PRO 9 N -2.70 4.03 -0.21 0.00 0.02 -1.26 -2.59 135.00 132.29 1xg0 s PRO 9 Ca -0.04 2.57 0.01 0.00 0.02 0.00 0.00 61.00 63.57 1xg0 s PRO 9 Cb -0.00 -2.91 0.04 0.00 0.02 0.00 0.00 34.50 31.65 1xg0 s PRO 9 CO -0.04 -0.60 -0.12 -1.14 -0.33 0.00 0.00 177.00 174.77 1xg0 s GLN 10 N -2.17 2.23 -0.12 5.54 0.74 0.77 -4.91 119.66 121.74 1xg0 s GLN 10 Ca 0.54 -0.99 -0.05 0.00 0.05 0.00 0.00 55.36 54.91 1xg0 s GLN 10 Cb -0.47 -2.58 -0.04 0.00 1.10 0.00 0.00 33.01 31.02 1xg0 s GLN 10 CO 0.63 -0.44 0.07 0.42 -0.55 0.00 0.00 175.29 175.42 1xg0 s ILE 11 N 1.29 4.90 -0.10 -2.34 1.01 -1.26 -1.15 121.20 123.55 1xg0 s ILE 11 Ca -0.03 -0.02 0.01 0.00 0.00 0.00 0.00 60.65 60.62 1xg0 s ILE 11 Cb -0.17 -3.12 0.02 0.00 0.01 0.00 0.00 42.46 39.20 1xg0 s ILE 11 CO -0.08 0.58 -0.12 -0.89 0.00 0.00 0.00 174.94 174.43 1xg0 s THR 12 N -0.66 1.27 -0.29 2.92 2.01 -0.16 -5.00 115.64 115.72 1xg0 s THR 12 Ca 0.12 -0.50 -0.08 0.00 0.31 0.00 0.00 61.69 61.54 1xg0 s THR 12 Cb -0.12 -1.19 -0.01 0.00 0.01 0.00 0.00 72.50 71.19 1xg0 s THR 12 CO 0.02 0.40 0.12 -0.63 -0.69 0.00 0.00 174.62 173.84 1xg0 s ILE 13 N 1.13 4.39 -0.58 1.82 1.01 -1.26 -0.98 121.20 126.74 1xg0 s ILE 13 Ca -0.05 -0.41 -0.04 0.00 0.00 0.00 0.00 60.65 60.15 1xg0 s ILE 13 Cb -0.14 -3.20 0.15 0.00 0.01 0.00 0.00 42.46 39.28 1xg0 s ILE 13 CO -0.03 0.14 0.40 -0.36 0.00 0.00 0.00 174.94 175.10 1xg0 s PHE 14 N 1.59 3.47 -1.02 3.97 0.40 0.18 -5.00 117.98 121.58 1xg0 s PHE 14 Ca 0.05 -2.52 -0.16 0.00 -0.60 0.00 0.00 56.93 53.69 1xg0 s PHE 14 Cb -0.17 -3.28 0.16 0.00 0.51 0.00 0.00 43.02 40.25 1xg0 s PHE 14 CO 0.05 -0.90 1.19 0.34 0.70 0.00 0.00 175.22 176.61 1xg0 s ASP 15 N 1.23 6.81 -0.41 1.36 2.15 -1.26 -1.20 116.67 125.36 1xg0 s ASP 15 Ca 0.14 -2.47 0.05 0.00 0.43 0.00 0.00 52.55 50.69 1xg0 s ASP 15 Cb -0.21 -2.37 0.48 0.00 -0.30 0.00 0.00 42.92 40.52 1xg0 s ASP 15 CO -0.04 -0.88 1.54 1.41 -0.17 0.00 0.00 175.17 177.03 1xg0 n HIS 16 N 5.87 2.42 -1.68 -5.34 8.25 -0.96 -5.01 115.22 118.76 1xg0 n HIS 16 Ca 0.27 -2.27 -0.45 0.00 -0.26 0.00 0.00 57.72 55.01 1xg0 n HIS 16 Cb 0.46 -0.73 -0.04 0.00 1.12 0.00 0.00 29.99 30.81 1xg0 n HIS 16 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1xg0 n ARG 17 N -0.91 2.41 -0.52 -0.41 1.74 -1.17 -1.25 116.66 116.56 1xg0 n ARG 17 Ca 0.47 0.88 0.00 0.00 -0.77 0.00 0.00 57.85 58.43 1xg0 n ARG 17 Cb 0.93 -2.71 0.00 0.00 -1.02 0.00 0.00 32.46 29.66 1xg0 n ARG 17 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1xg0 n GLY 18 N 3.96 1.28 3.72 -0.13 0.00 -1.26 -5.03 105.19 107.74 1xg0 n GLY 18 Ca 0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.79 1xg0 n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xg0 n SER 20 N 3.39 0.00 -4.62 0.00 3.41 -1.26 -4.60 113.62 109.94 1xg0 n SER 20 Ca 0.08 0.40 -0.43 0.00 -0.26 0.00 0.00 58.87 58.66 1xg0 n SER 20 Cb 0.44 -0.46 -0.02 0.00 -0.26 0.00 0.00 64.21 63.90 1xg0 n SER 20 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 1xg0 s ARG 21 N -2.93 3.85 0.33 4.33 3.00 -1.26 -4.98 118.95 121.29 1xg0 s ARG 21 Ca 0.14 0.85 -0.29 0.00 -1.00 0.00 0.00 55.73 55.44 1xg0 s ARG 21 Cb 0.17 -3.86 -0.10 0.00 0.00 0.00 0.00 34.95 31.15 1xg0 s ARG 21 CO 0.45 -1.21 1.33 0.00 0.00 0.00 0.00 175.30 175.87 1xg0 s ALA 22 N 4.27 3.51 0.36 6.12 0.00 -1.26 -4.97 121.76 129.80 1xg0 s ALA 22 Ca 0.49 1.30 -0.28 0.00 0.00 0.00 0.00 51.96 53.48 1xg0 s ALA 22 Cb -0.11 -3.50 -0.10 0.00 0.00 0.00 0.00 23.12 19.42 1xg0 s ALA 22 CO 0.25 -0.69 1.36 -1.25 0.00 0.00 0.00 175.76 175.43 1xg0 s PRO 23 N -1.76 4.20 0.00 0.00 0.04 -1.26 -4.91 135.00 131.30 1xg0 s PRO 23 Ca 0.50 2.32 0.00 0.00 0.04 0.00 0.00 61.00 63.86 1xg0 s PRO 23 Cb -0.41 -2.97 0.00 0.00 0.04 0.00 0.00 34.50 31.16 1xg0 s PRO 23 CO 0.54 -0.36 0.38 0.36 0.04 0.00 0.00 177.00 177.95 1xg0 n LYS 24 N 0.55 0.00 -0.00 4.56 2.85 -1.26 -4.93 118.16 119.93 1xg0 n LYS 24 Ca 0.01 -0.35 0.05 0.00 -1.05 0.00 0.00 58.31 56.97 1xg0 n LYS 24 Cb 0.41 -0.31 -0.06 0.00 -0.65 0.00 0.00 35.03 34.42 1xg0 n LYS 24 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 1xg0 n GLU 25 N 0.00 3.25 -1.52 -1.58 4.71 -1.26 -4.99 120.64 119.24 1xg0 n GLU 25 Ca 0.00 -0.01 -0.31 0.00 -0.01 0.00 0.00 57.16 56.84 1xg0 n GLU 25 Cb 0.52 -1.03 0.07 0.00 -1.01 0.00 0.00 31.44 29.99 1xg0 n GLU 25 CO 0.00 0.00 0.00 -1.54 0.09 0.00 0.00 177.13 175.68 1xg0 s SER 26 N -2.09 4.89 0.00 1.62 1.04 -1.26 -5.00 113.70 112.90 1xg0 s SER 26 Ca 0.04 1.51 0.00 0.00 0.48 0.00 0.00 55.95 57.98 1xg0 s SER 26 Cb 0.08 -2.31 0.00 0.00 0.10 0.00 0.00 66.02 63.89 1xg0 s SER 26 CO 0.45 -1.74 0.21 0.35 0.98 0.00 0.00 173.24 173.49 1xg0 n THR 27 N -3.31 0.03 -0.63 2.02 -2.24 -1.26 -4.83 114.28 104.06 1xg0 n THR 27 Ca 0.07 -0.18 0.07 0.00 -2.27 0.00 0.00 64.05 61.74 1xg0 n THR 27 Cb 0.55 1.59 0.15 0.00 -2.10 0.00 0.00 70.33 70.51 1xg0 n THR 27 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1xg0 n GLY 28 N -0.02 3.80 6.69 3.38 0.00 -1.26 -5.10 105.19 112.68 1xg0 n GLY 28 Ca 0.00 -0.71 0.00 0.00 0.00 0.00 0.00 46.02 45.31 1xg0 n GLY 28 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xg0 n GLY 29 N -0.57 -1.83 3.49 -0.02 0.00 -1.26 -4.97 105.19 100.04 1xg0 n GLY 29 Ca 0.13 -1.40 -0.33 0.00 0.00 0.00 0.00 46.02 44.42 1xg0 n GLY 29 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xg0 s LYS 30 N 0.00 2.75 0.45 1.61 -0.14 -1.26 -5.00 119.74 118.15 1xg0 s LYS 30 Ca 0.00 -0.64 0.24 0.00 -1.36 0.00 0.00 55.97 54.21 1xg0 s LYS 30 Cb 0.00 -2.50 0.50 0.00 -1.68 0.00 0.00 37.83 34.15 1xg0 s LYS 30 CO 0.00 0.56 1.66 0.00 -0.76 0.00 0.00 175.35 176.82 1xg0 h ALA 31 N 5.57 0.98 -2.32 5.17 0.00 -1.93 -3.48 119.26 123.25 1xg0 h ALA 31 Ca -0.44 -0.04 -0.15 0.00 0.00 0.00 0.00 54.91 54.29 1xg0 h ALA 31 Cb 1.17 -0.01 0.04 0.00 0.00 0.00 0.00 17.79 18.99 1xg0 h ALA 31 CO 0.52 0.05 -0.23 0.41 0.00 0.00 0.00 179.25 180.00 1xg0 n GLY 32 N 0.91 0.32 0.00 0.00 0.00 -1.26 -4.99 105.19 100.17 1xg0 n GLY 32 Ca 0.03 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.65 1xg0 n GLY 32 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xg0 n GLY 33 N -1.04 0.82 0.24 -0.02 0.00 -1.26 -5.04 105.19 98.89 1xg0 n GLY 33 Ca -0.02 -0.71 0.17 0.00 0.00 0.00 0.00 46.02 45.46 1xg0 n GLY 33 CO 0.00 0.00 0.00 0.06 0.00 0.00 0.00 173.32 173.38 1xg0 h GLN 34 N 0.00 0.00 -0.03 1.61 3.07 -2.01 -0.35 115.11 117.39 1xg0 h GLN 34 Ca 0.00 0.00 0.01 0.00 0.09 0.00 0.00 58.65 58.75 1xg0 h GLN 34 Cb 0.00 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 27.56 1xg0 h GLN 34 CO 0.00 0.00 0.10 -0.44 0.09 0.00 0.00 178.83 178.58 1xg0 h ASP 35 N 0.00 0.00 0.27 0.06 3.32 -1.96 -1.34 116.42 116.77 1xg0 h ASP 35 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1xg0 h ASP 35 Cb 0.25 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.80 1xg0 h ASP 35 CO 0.00 0.00 0.00 0.47 -1.72 0.00 0.00 179.24 177.99 1xg0 n ASP 36 N -3.32 0.00 -0.05 6.45 8.00 -0.14 -2.26 116.55 125.24 1xg0 n ASP 36 Ca -0.02 -0.12 0.05 0.00 0.71 0.00 0.00 54.79 55.41 1xg0 n ASP 36 Cb 0.17 -0.22 0.07 0.00 -0.02 0.00 0.00 41.12 41.13 1xg0 n ASP 36 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1xg0 n GLU 37 N -1.22 2.00 -4.22 -1.24 1.02 -0.51 -4.88 120.64 111.59 1xg0 n GLU 37 Ca 0.10 -2.04 -0.14 0.00 -0.02 0.00 0.00 57.16 55.05 1xg0 n GLU 37 Cb 0.13 -1.25 -0.10 0.00 -0.02 0.00 0.00 31.44 30.20 1xg0 n GLU 37 CO 0.00 0.00 0.00 -1.64 1.18 0.00 0.00 177.13 176.67 1xg0 s MET 38 N -1.96 0.98 -0.14 3.49 -1.94 -0.96 -2.28 119.30 116.49 1xg0 s MET 38 Ca 0.17 -1.33 -0.27 0.00 -1.71 0.00 0.00 55.69 52.55 1xg0 s MET 38 Cb 0.15 -0.60 0.07 0.00 2.01 0.00 0.00 34.83 36.45 1xg0 s MET 38 CO 0.02 0.08 0.66 1.41 -0.01 0.00 0.00 175.02 177.18 1xg0 s MET 39 N -3.36 0.91 -0.18 2.03 0.00 -0.34 -4.95 119.30 113.42 1xg0 s MET 39 Ca 0.12 0.56 -0.03 0.00 0.00 0.00 0.00 55.69 56.33 1xg0 s MET 39 Cb 0.00 0.44 -0.02 0.00 0.00 0.00 0.00 34.83 35.25 1xg0 s MET 39 CO 0.00 -0.21 -0.05 0.08 0.00 0.00 0.00 175.02 174.84 1xg0 s VAL 40 N -0.48 3.60 -0.10 10.11 1.01 -1.26 -0.64 120.40 132.63 1xg0 s VAL 40 Ca -0.06 -0.44 -0.00 0.00 0.00 0.00 0.00 61.98 61.47 1xg0 s VAL 40 Cb -0.02 -2.59 -0.03 0.00 0.00 0.00 0.00 36.38 33.73 1xg0 s VAL 40 CO 0.05 0.46 -0.08 -0.75 0.00 0.00 0.00 175.10 174.79 1xg0 s LYS 41 N 0.83 3.11 -0.08 2.72 2.20 -0.15 -4.99 119.74 123.38 1xg0 s LYS 41 Ca -0.01 -0.57 0.01 0.00 -0.36 0.00 0.00 55.97 55.04 1xg0 s LYS 41 Cb -0.15 -2.68 0.02 0.00 -1.51 0.00 0.00 37.83 33.52 1xg0 s LYS 41 CO 0.01 0.46 -0.09 0.08 -0.36 0.00 0.00 175.35 175.46 1xg0 s VAL 42 N -0.27 0.98 0.33 4.02 1.01 -1.26 -0.99 120.40 124.21 1xg0 s VAL 42 Ca 0.04 -0.34 0.09 0.00 0.00 0.00 0.00 61.98 61.76 1xg0 s VAL 42 Cb -0.13 -0.95 -0.06 0.00 0.00 0.00 0.00 36.38 35.24 1xg0 s VAL 42 CO 0.03 0.34 -0.08 0.00 0.00 0.00 0.00 175.10 175.38 1xg0 s ALA 43 N 1.09 2.79 -0.27 5.51 0.00 -0.30 -4.96 121.76 125.61 1xg0 s ALA 43 Ca -0.07 -2.04 0.02 0.00 0.00 0.00 0.00 51.96 49.86 1xg0 s ALA 43 Cb -0.14 0.03 0.06 0.00 0.00 0.00 0.00 23.12 23.06 1xg0 s ALA 43 CO -0.01 0.03 -0.08 0.45 0.00 0.00 0.00 175.76 176.15 1xg0 s SER 44 N -3.56 4.56 0.08 0.00 0.15 -1.26 -0.16 113.70 113.50 1xg0 s SER 44 Ca 0.32 -1.40 0.04 0.00 0.70 0.00 0.00 55.95 55.61 1xg0 s SER 44 Cb 0.03 -1.59 -0.03 0.00 -1.71 0.00 0.00 66.02 62.72 1xg0 s SER 44 CO 0.15 -0.21 -0.12 0.42 1.20 0.00 0.00 173.24 174.68 1xg0 s THR 45 N 1.13 0.99 0.20 6.45 -4.23 -1.07 -4.90 115.64 114.20 1xg0 s THR 45 Ca -0.07 -1.40 -0.30 0.00 -1.18 0.00 0.00 61.69 58.74 1xg0 s THR 45 Cb -0.20 -1.11 -0.09 0.00 1.34 0.00 0.00 72.50 72.44 1xg0 s THR 45 CO -0.04 -0.36 1.32 -0.75 -0.54 0.00 0.00 174.62 174.25 1xg0 s LYS 46 N -2.09 4.38 -0.15 3.99 2.20 -1.26 -1.58 119.74 125.23 1xg0 s LYS 46 Ca -0.00 2.07 -0.17 0.00 -0.36 0.00 0.00 55.97 57.50 1xg0 s LYS 46 Cb -0.08 -3.19 -0.04 0.00 -1.51 0.00 0.00 37.83 33.01 1xg0 s LYS 46 CO 0.01 -0.27 0.45 0.08 -0.36 0.00 0.00 175.35 175.26 1xg0 s VAL 47 N 0.16 5.19 0.01 4.02 1.01 0.10 -4.94 120.40 125.94 1xg0 s VAL 47 Ca 0.57 0.86 0.01 0.00 0.00 0.00 0.00 61.98 63.42 1xg0 s VAL 47 Cb -0.37 -3.78 -0.01 0.00 0.00 0.00 0.00 36.38 32.22 1xg0 s VAL 47 CO 0.38 0.29 -0.03 0.42 0.00 0.00 0.00 175.10 176.17 1xg0 s THR 48 N 0.92 0.17 -0.09 3.92 -4.23 -1.26 -4.90 115.64 110.18 1xg0 s THR 48 Ca 0.23 -0.40 0.01 0.00 -1.18 0.00 0.00 61.69 60.35 1xg0 s THR 48 Cb -0.15 -0.21 0.02 0.00 1.34 0.00 0.00 72.50 73.50 1xg0 s THR 48 CO 0.09 -0.15 -0.10 -0.69 -0.54 0.00 0.00 174.62 173.23 1xg0 s VAL 49 N -0.56 1.10 0.63 2.29 1.01 -1.26 -5.14 120.40 118.47 1xg0 s VAL 49 Ca -0.05 -0.40 -0.15 0.00 0.00 0.00 0.00 61.98 61.39 1xg0 s VAL 49 Cb -0.04 -1.05 -0.02 0.00 0.00 0.00 0.00 36.38 35.27 1xg0 s VAL 49 CO -0.00 0.36 1.07 -0.94 0.00 0.00 0.00 175.10 175.59 1xg0 s SER 50 N 1.15 5.53 0.28 3.32 1.04 -1.26 -4.91 113.70 118.85 1xg0 s SER 50 Ca -0.05 1.82 -0.03 0.00 0.48 0.00 0.00 55.95 58.16 1xg0 s SER 50 Cb -0.14 -2.53 0.37 0.00 0.10 0.00 0.00 66.02 63.82 1xg0 s SER 50 CO -0.02 -1.34 1.91 -0.33 0.98 0.00 0.00 173.24 174.44 1xg0 h GLU 51 N 0.10 1.09 -0.70 4.02 5.08 -2.00 -0.93 114.58 121.23 1xg0 h GLU 51 Ca -0.46 -0.11 -0.04 0.00 -1.00 0.00 0.00 59.36 57.75 1xg0 h GLU 51 Cb 1.22 -0.22 -0.03 0.00 0.50 0.00 0.00 28.75 30.22 1xg0 h GLU 51 CO 0.56 0.78 0.29 0.66 -1.00 0.00 0.00 179.01 180.31 1xg0 h SER 52 N 1.10 0.96 -0.67 1.42 4.64 -2.00 -0.54 113.55 118.46 1xg0 h SER 52 Ca 0.28 -0.16 -0.08 0.00 -0.47 0.00 0.00 61.79 61.36 1xg0 h SER 52 Cb -0.01 -0.25 -0.03 0.00 -0.31 0.00 0.00 62.40 61.80 1xg0 h SER 52 CO -0.05 0.86 0.12 0.44 -0.87 0.00 0.00 176.83 177.33 1xg0 h ASP 53 N 1.00 1.07 -0.55 4.97 3.32 -1.81 -2.21 116.42 122.21 1xg0 h ASP 53 Ca 0.24 -0.26 -0.02 0.00 0.02 0.00 0.00 57.03 57.01 1xg0 h ASP 53 Cb 0.19 -0.28 -0.03 0.00 0.22 0.00 0.00 39.33 39.43 1xg0 h ASP 53 CO -0.02 1.05 0.27 0.00 -1.72 0.00 0.00 179.24 178.82 1xg0 h ALA 54 N 1.05 1.38 -0.71 3.45 0.00 -0.72 -1.55 119.26 122.16 1xg0 h ALA 54 Ca 0.21 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 1xg0 h ALA 54 Cb 0.44 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 1xg0 h ALA 54 CO 0.01 0.48 0.31 0.00 0.00 0.00 0.00 179.25 180.05 1xg0 h ALA 55 N 1.48 0.92 -0.62 0.00 0.00 -0.75 -0.60 119.26 119.69 1xg0 h ALA 55 Ca 0.20 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 1xg0 h ALA 55 Cb 0.10 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.58 1xg0 h ALA 55 CO -0.03 0.52 0.29 0.87 0.00 0.00 0.00 179.25 180.91 1xg0 h LYS 56 N 1.01 0.90 -0.50 0.00 1.57 -0.80 -2.22 116.57 116.53 1xg0 h LYS 56 Ca 0.24 -0.14 -0.04 0.00 -1.87 0.00 0.00 60.65 58.84 1xg0 h LYS 56 Cb 0.18 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.31 1xg0 h LYS 56 CO -0.02 0.73 0.15 0.87 -0.57 0.00 0.00 179.45 180.61 1xg0 h LYS 57 N 0.85 0.79 -0.83 3.15 1.79 -1.05 -2.86 116.57 118.40 1xg0 h LYS 57 Ca 0.21 -0.17 0.07 0.00 -2.18 0.00 0.00 60.65 58.58 1xg0 h LYS 57 Cb 0.13 -0.11 -0.07 0.00 -1.58 0.00 0.00 32.23 30.61 1xg0 h LYS 57 CO -0.02 0.74 0.50 1.25 -1.08 0.00 0.00 179.45 180.83 1xg0 h LEU 58 N 0.68 0.75 -1.73 2.94 5.85 -0.90 0.68 115.31 123.59 1xg0 h LEU 58 Ca 0.16 0.03 -0.04 0.00 0.84 0.00 0.00 57.88 58.88 1xg0 h LEU 58 Cb 0.28 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.18 1xg0 h LEU 58 CO -0.00 0.46 -0.17 -0.61 -0.34 0.00 0.00 178.44 177.78 1xg0 h GLN 59 N 0.88 0.00 0.00 1.25 -0.00 -1.19 -0.69 115.11 115.37 1xg0 h GLN 59 Ca 0.38 0.00 -0.09 0.00 -0.00 0.00 0.00 58.65 58.94 1xg0 h GLN 59 Cb 0.25 0.00 0.01 0.00 0.00 0.00 0.00 27.48 27.74 1xg0 h GLN 59 CO -0.20 0.17 -0.35 0.93 0.00 0.00 0.00 178.83 179.38 1xg0 h GLU 60 N 0.00 0.23 -0.17 1.69 5.08 -1.11 -3.38 114.58 116.92 1xg0 h GLU 60 Ca -0.00 -0.25 -0.10 0.00 -1.00 0.00 0.00 59.36 58.01 1xg0 h GLU 60 Cb 0.35 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.66 1xg0 h GLU 60 CO 0.02 0.98 -0.33 0.74 -1.00 0.00 0.00 179.01 179.42 1xg0 h PHE 61 N -0.42 0.39 0.00 4.33 0.05 -0.25 -3.25 116.94 117.79 1xg0 h PHE 61 Ca -0.04 -0.09 0.00 0.00 3.82 0.00 0.00 57.97 61.65 1xg0 h PHE 61 Cb 1.10 -0.09 0.00 0.00 2.00 0.00 0.00 35.95 38.96 1xg0 h PHE 61 CO 0.18 0.64 0.00 1.51 -0.18 0.00 0.00 178.31 180.45 1xg0 n ILE 62 N -4.08 1.21 1.02 -0.55 3.06 -0.32 -2.06 119.36 117.64 1xg0 n ILE 62 Ca -0.01 0.30 0.11 0.00 -2.50 0.00 0.00 62.75 60.65 1xg0 n ILE 62 Cb 0.44 -1.11 0.06 0.00 0.54 0.00 0.00 39.64 39.57 1xg0 n ILE 62 CO 0.00 0.00 0.00 0.35 -2.50 0.00 0.00 176.55 174.40 1xg0 n THR 63 N -1.50 0.00 -3.32 9.51 -2.24 -1.23 -4.99 114.28 110.51 1xg0 n THR 63 Ca 0.03 -0.04 -0.18 0.00 -2.27 0.00 0.00 64.05 61.59 1xg0 n THR 63 Cb 0.13 0.73 0.07 0.00 -2.10 0.00 0.00 70.33 69.16 1xg0 n THR 63 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 1xg0 n PHE 64 N -1.25 -2.17 -2.92 4.78 0.99 -0.87 -5.04 117.46 110.98 1xg0 n PHE 64 Ca 0.06 0.80 -0.21 0.00 -0.00 0.00 0.00 57.45 58.10 1xg0 n PHE 64 Cb 0.35 -4.28 0.08 0.00 -1.00 0.00 0.00 39.48 34.63 1xg0 n PHE 64 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.76 175.55 1xg0 s GLU 65 N -5.82 2.11 0.29 -1.08 0.41 -1.26 -5.00 118.70 108.35 1xg0 s GLU 65 Ca 0.36 -1.52 -0.05 0.00 -0.41 0.00 0.00 54.97 53.35 1xg0 s GLU 65 Cb -0.16 -2.56 -0.01 0.00 -1.78 0.00 0.00 34.13 29.63 1xg0 s GLU 65 CO 0.58 -1.04 0.41 -1.59 -0.49 0.00 0.00 175.26 173.13 1xg0 s LYS 66 N -4.81 1.68 0.38 1.61 -2.85 -1.26 -5.05 119.74 109.44 1xg0 s LYS 66 Ca 0.63 -1.58 -0.05 0.00 -1.00 0.00 0.00 55.97 53.97 1xg0 s LYS 66 Cb -0.05 0.42 0.08 0.00 -2.06 0.00 0.00 37.83 36.22 1xg0 s LYS 66 CO 0.41 -0.67 0.51 0.41 0.10 0.00 0.00 175.35 176.10 1xg0 n GLY 67 N -0.46 -0.67 0.14 0.59 0.00 -1.26 -5.01 105.19 98.52 1xg0 n GLY 67 Ca 0.00 -1.78 -0.11 0.00 0.00 0.00 0.00 46.02 44.13 1xg0 n GLY 67 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1xg0 h ILE 68 N -1.06 1.25 -4.17 -0.61 1.08 -2.03 -3.45 117.51 108.52 1xg0 h ILE 68 Ca -0.17 -0.88 -0.51 0.00 -0.39 0.00 0.00 64.86 62.91 1xg0 h ILE 68 Cb 0.50 1.41 0.11 0.00 -3.07 0.00 0.00 36.82 35.77 1xg0 h ILE 68 CO 0.13 0.27 0.39 -1.81 -0.69 0.00 0.00 178.15 176.44 1xg0 s ASP 69 N -5.89 5.02 0.00 1.72 1.01 -1.26 -4.93 116.67 112.34 1xg0 s ASP 69 Ca -0.14 2.11 0.00 0.00 0.71 0.00 0.00 52.55 55.23 1xg0 s ASP 69 Cb 0.07 -2.56 0.00 0.00 1.01 0.00 0.00 42.92 41.43 1xg0 s ASP 69 CO 0.74 -1.70 0.00 0.61 0.21 0.00 0.00 175.17 175.03 1xg0 n GLY 70 N -0.20 -0.80 3.76 0.21 0.00 -1.26 -4.95 105.19 101.95 1xg0 n GLY 70 Ca 0.11 -1.59 -0.33 0.00 0.00 0.00 0.00 46.02 44.22 1xg0 n GLY 70 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1xg0 s PRO 71 N -3.19 2.58 -0.45 1.61 0.04 -1.26 -5.01 135.00 129.31 1xg0 s PRO 71 Ca 0.00 1.36 -0.25 0.00 0.04 0.00 0.00 61.00 62.15 1xg0 s PRO 71 Cb 0.00 -1.92 0.03 0.00 0.04 0.00 0.00 34.50 32.64 1xg0 s PRO 71 CO 0.00 -1.42 0.88 0.12 0.04 0.00 0.00 177.00 176.62 1xg0 s PHE 72 N -2.47 2.95 -0.76 0.56 5.36 -1.26 -4.90 117.98 117.46 1xg0 s PHE 72 Ca 0.66 0.34 0.08 0.00 -0.96 0.00 0.00 56.93 57.04 1xg0 s PHE 72 Cb -0.20 -3.85 0.01 0.00 -0.34 0.00 0.00 43.02 38.64 1xg0 s PHE 72 CO 0.46 -1.05 0.58 0.25 -1.46 0.00 0.00 175.22 174.01 1xg0 n THR 73 N 6.30 0.00 -2.02 0.12 -2.24 -1.26 -5.02 114.28 110.16 1xg0 n THR 73 Ca 0.05 -0.43 -0.35 0.00 -2.27 0.00 0.00 64.05 61.04 1xg0 n THR 73 Cb 0.48 1.10 0.03 0.00 -2.10 0.00 0.00 70.33 69.85 1xg0 n THR 73 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1xg0 s SER 74 N -1.08 5.29 0.00 3.42 0.15 -1.26 -4.93 113.70 115.29 1xg0 s SER 74 Ca 0.07 2.27 0.15 0.00 0.70 0.00 0.00 55.95 59.14 1xg0 s SER 74 Cb 0.06 -2.59 0.35 0.00 -1.71 0.00 0.00 66.02 62.14 1xg0 s SER 74 CO 0.18 -1.52 1.26 0.29 1.20 0.00 0.00 173.24 174.65 1xg0 n LYS 75 N -1.67 2.40 0.00 5.44 5.02 -1.26 -5.22 118.16 122.86 1xg0 n LYS 75 Ca 0.13 -2.06 0.00 0.00 -2.02 0.00 0.00 58.31 54.36 1xg0 n LYS 75 Cb 0.50 -1.36 0.00 0.00 -0.02 0.00 0.00 35.03 34.16 1xg0 n LYS 75 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97