#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xf6 s MET 2 N 0.00 3.94 0.00 0.00 1.75 -1.26 -5.12 119.30 118.61 1xf6 s MET 2 Ca 0.00 2.47 0.00 0.00 -1.25 0.00 0.00 55.69 56.91 1xf6 s MET 2 Cb 0.00 -4.20 0.00 0.00 2.84 0.00 0.00 34.83 33.47 1xf6 s MET 2 CO 0.00 -1.18 0.00 -0.40 -0.65 0.00 0.00 175.02 172.79 1xf6 n ASP 3 N 8.34 0.00 0.00 1.11 5.68 -1.26 -5.16 116.55 125.27 1xf6 n ASP 3 Ca 0.22 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.51 1xf6 n ASP 3 Cb 0.42 -0.36 0.00 0.00 -1.14 0.00 0.00 41.12 40.03 1xf6 n ASP 3 CO 0.00 0.00 0.00 -1.54 -1.33 0.00 0.00 177.20 174.33 1xf6 n SER 5 N -2.25 0.00 -0.46 -1.12 3.41 -1.26 -5.10 113.62 106.85 1xf6 n SER 5 Ca 0.00 0.00 -0.06 0.00 -0.26 0.00 0.00 58.87 58.55 1xf6 n SER 5 Cb 0.00 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 63.92 1xf6 n SER 5 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1xf6 n ALA 6 N 0.00 -0.09 -1.95 7.33 0.00 -1.26 -4.82 120.51 119.72 1xf6 n ALA 6 Ca 0.00 0.10 -0.39 0.00 0.00 0.00 0.00 53.44 53.15 1xf6 n ALA 6 Cb 0.00 -1.35 -0.06 0.00 0.00 0.00 0.00 19.45 18.04 1xf6 n ALA 6 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1xf6 s LYS 7 N -2.21 4.56 0.07 0.00 1.02 -1.26 -0.84 119.74 121.07 1xf6 s LYS 7 Ca 0.00 1.17 -0.14 0.00 0.02 0.00 0.00 55.97 57.02 1xf6 s LYS 7 Cb 0.00 -3.14 0.02 0.00 -0.52 0.00 0.00 37.83 34.19 1xf6 s LYS 7 CO 0.00 0.50 0.33 0.00 -0.92 0.00 0.00 175.35 175.25 1xf6 s ALA 8 N -1.27 -0.72 0.28 5.17 0.00 -0.62 -4.94 121.76 119.65 1xf6 s ALA 8 Ca 0.39 -0.06 -0.30 0.00 0.00 0.00 0.00 51.96 52.00 1xf6 s ALA 8 Cb -0.22 0.44 -0.11 0.00 0.00 0.00 0.00 23.12 23.23 1xf6 s ALA 8 CO 0.26 -0.49 1.53 -2.14 0.00 0.00 0.00 175.76 174.92 1xf6 s PRO 9 N -3.03 4.18 -0.26 0.00 0.02 -1.26 -2.63 135.00 132.01 1xf6 s PRO 9 Ca -0.02 2.47 -0.01 0.00 0.02 0.00 0.00 61.00 63.47 1xf6 s PRO 9 Cb 0.01 -3.06 0.04 0.00 0.02 0.00 0.00 34.50 31.51 1xf6 s PRO 9 CO -0.06 -0.55 -0.05 -1.14 -0.33 0.00 0.00 177.00 174.87 1xf6 s GLN 10 N -0.49 2.62 -0.15 5.54 0.74 0.87 -4.93 119.66 123.85 1xf6 s GLN 10 Ca 0.61 -1.12 -0.07 0.00 0.05 0.00 0.00 55.36 54.83 1xf6 s GLN 10 Cb -0.45 -3.02 -0.04 0.00 1.10 0.00 0.00 33.01 30.59 1xf6 s GLN 10 CO 0.46 -0.49 0.11 0.42 -0.55 0.00 0.00 175.29 175.24 1xf6 s ILE 11 N 1.27 5.23 -0.11 -2.34 1.01 -1.26 -1.23 121.20 123.77 1xf6 s ILE 11 Ca -0.03 0.11 0.01 0.00 0.00 0.00 0.00 60.65 60.75 1xf6 s ILE 11 Cb -0.18 -3.31 0.02 0.00 0.01 0.00 0.00 42.46 39.00 1xf6 s ILE 11 CO -0.04 0.54 -0.13 -0.89 0.00 0.00 0.00 174.94 174.42 1xf6 s THR 12 N -0.41 1.39 -0.28 2.92 2.01 -0.18 -5.00 115.64 116.10 1xf6 s THR 12 Ca 0.11 -0.56 -0.08 0.00 0.31 0.00 0.00 61.69 61.46 1xf6 s THR 12 Cb -0.12 -1.30 -0.02 0.00 0.01 0.00 0.00 72.50 71.08 1xf6 s THR 12 CO 0.02 0.42 0.10 -0.63 -0.69 0.00 0.00 174.62 173.84 1xf6 s ILE 13 N 1.16 4.41 -0.52 1.82 1.01 -1.26 -1.00 121.20 126.81 1xf6 s ILE 13 Ca -0.04 -0.30 -0.04 0.00 0.00 0.00 0.00 60.65 60.27 1xf6 s ILE 13 Cb -0.14 -3.15 0.14 0.00 0.01 0.00 0.00 42.46 39.31 1xf6 s ILE 13 CO -0.04 0.21 0.34 -0.36 0.00 0.00 0.00 174.94 175.10 1xf6 s PHE 14 N 1.61 3.50 -1.04 3.97 0.40 0.15 -5.00 117.98 121.57 1xf6 s PHE 14 Ca 0.05 -2.46 -0.15 0.00 -0.60 0.00 0.00 56.93 53.78 1xf6 s PHE 14 Cb -0.16 -3.27 0.18 0.00 0.51 0.00 0.00 43.02 40.27 1xf6 s PHE 14 CO 0.05 -0.92 1.18 0.34 0.70 0.00 0.00 175.22 176.57 1xf6 s ASP 15 N 1.47 6.89 -0.42 1.36 2.15 -1.26 -1.15 116.67 125.72 1xf6 s ASP 15 Ca 0.12 -2.67 0.04 0.00 0.43 0.00 0.00 52.55 50.48 1xf6 s ASP 15 Cb -0.22 -2.35 0.48 0.00 -0.30 0.00 0.00 42.92 40.54 1xf6 s ASP 15 CO -0.04 -0.79 1.58 1.41 -0.17 0.00 0.00 175.17 177.16 1xf6 n HIS 16 N 5.39 2.45 -1.69 -5.34 8.25 -0.89 -5.01 115.22 118.39 1xf6 n HIS 16 Ca 0.27 -2.28 -0.44 0.00 -0.26 0.00 0.00 57.72 55.01 1xf6 n HIS 16 Cb 0.45 -0.77 -0.04 0.00 1.12 0.00 0.00 29.99 30.76 1xf6 n HIS 16 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1xf6 n ARG 17 N -0.92 2.55 -0.52 -0.41 1.74 -1.14 -1.32 116.66 116.63 1xf6 n ARG 17 Ca 0.48 0.92 0.00 0.00 -0.77 0.00 0.00 57.85 58.48 1xf6 n ARG 17 Cb 0.94 -2.77 0.00 0.00 -1.02 0.00 0.00 32.46 29.61 1xf6 n ARG 17 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1xf6 n GLY 18 N 4.00 1.29 3.73 -0.13 0.00 -1.26 -5.03 105.19 107.79 1xf6 n GLY 18 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 1xf6 n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xf6 n SER 20 N 3.07 0.42 -4.62 0.00 3.41 -1.26 -4.59 113.62 110.04 1xf6 n SER 20 Ca 0.07 0.56 -0.43 0.00 -0.26 0.00 0.00 58.87 58.80 1xf6 n SER 20 Cb 0.45 -0.66 -0.02 0.00 -0.26 0.00 0.00 64.21 63.71 1xf6 n SER 20 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 1xf6 s ARG 21 N -3.09 3.86 0.29 4.33 3.00 -1.26 -4.98 118.95 121.10 1xf6 s ARG 21 Ca 0.10 1.10 -0.29 0.00 -1.00 0.00 0.00 55.73 55.63 1xf6 s ARG 21 Cb 0.13 -3.89 -0.10 0.00 0.00 0.00 0.00 34.95 31.10 1xf6 s ARG 21 CO 0.49 -1.19 1.32 0.00 0.00 0.00 0.00 175.30 175.91 1xf6 s ALA 22 N 4.45 3.52 0.36 6.12 0.00 -1.26 -4.97 121.76 129.98 1xf6 s ALA 22 Ca 0.55 1.23 -0.28 0.00 0.00 0.00 0.00 51.96 53.45 1xf6 s ALA 22 Cb -0.14 -3.48 -0.11 0.00 0.00 0.00 0.00 23.12 19.38 1xf6 s ALA 22 CO 0.25 -0.61 1.44 -1.25 0.00 0.00 0.00 175.76 175.58 1xf6 s PRO 23 N -1.26 4.19 0.00 0.00 0.04 -1.26 -4.91 135.00 131.80 1xf6 s PRO 23 Ca 0.52 2.46 0.00 0.00 0.04 0.00 0.00 61.00 64.02 1xf6 s PRO 23 Cb -0.39 -3.01 0.00 0.00 0.04 0.00 0.00 34.50 31.14 1xf6 s PRO 23 CO 0.48 -0.43 0.44 0.36 0.04 0.00 0.00 177.00 177.89 1xf6 n LYS 24 N 0.70 0.00 -0.00 4.56 2.85 -1.26 -4.92 118.16 120.09 1xf6 n LYS 24 Ca 0.01 -0.42 0.05 0.00 -1.05 0.00 0.00 58.31 56.90 1xf6 n LYS 24 Cb 0.40 -0.36 -0.06 0.00 -0.65 0.00 0.00 35.03 34.35 1xf6 n LYS 24 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 1xf6 n GLU 25 N 0.00 3.14 -1.58 -1.58 4.71 -1.26 -4.99 120.64 119.07 1xf6 n GLU 25 Ca 0.00 -0.01 -0.31 0.00 -0.01 0.00 0.00 57.16 56.83 1xf6 n GLU 25 Cb 0.52 -1.02 0.06 0.00 -1.01 0.00 0.00 31.44 29.99 1xf6 n GLU 25 CO 0.00 0.00 0.00 -1.54 0.09 0.00 0.00 177.13 175.68 1xf6 s SER 26 N -2.15 5.17 0.00 1.62 1.04 -1.26 -5.00 113.70 113.11 1xf6 s SER 26 Ca 0.03 1.51 0.00 0.00 0.48 0.00 0.00 55.95 57.97 1xf6 s SER 26 Cb 0.08 -2.35 0.00 0.00 0.10 0.00 0.00 66.02 63.84 1xf6 s SER 26 CO 0.43 -1.57 0.16 0.35 0.98 0.00 0.00 173.24 173.59 1xf6 n THR 27 N -3.20 0.00 -0.61 2.02 -2.24 -1.26 -4.83 114.28 104.16 1xf6 n THR 27 Ca 0.07 -0.17 0.07 0.00 -2.27 0.00 0.00 64.05 61.75 1xf6 n THR 27 Cb 0.54 1.65 0.18 0.00 -2.10 0.00 0.00 70.33 70.60 1xf6 n THR 27 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1xf6 n GLY 28 N 0.01 3.57 6.20 3.38 0.00 -1.26 -5.09 105.19 112.00 1xf6 n GLY 28 Ca 0.00 -0.71 0.00 0.00 0.00 0.00 0.00 46.02 45.31 1xf6 n GLY 28 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xf6 n GLY 29 N -0.24 -2.01 3.64 -0.02 0.00 -1.26 -4.96 105.19 100.33 1xf6 n GLY 29 Ca 0.15 -1.49 -0.35 0.00 0.00 0.00 0.00 46.02 44.33 1xf6 n GLY 29 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xf6 s LYS 30 N 0.00 3.04 0.40 1.61 -0.14 -1.26 -5.00 119.74 118.39 1xf6 s LYS 30 Ca 0.00 -0.44 0.23 0.00 -1.36 0.00 0.00 55.97 54.40 1xf6 s LYS 30 Cb 0.00 -2.78 0.29 0.00 -1.68 0.00 0.00 37.83 33.66 1xf6 s LYS 30 CO 0.00 0.63 1.52 0.00 -0.76 0.00 0.00 175.35 176.74 1xf6 h ALA 31 N 5.39 0.92 -2.54 5.17 0.00 -1.93 -3.48 119.26 122.79 1xf6 h ALA 31 Ca -0.48 0.00 -0.15 0.00 0.00 0.00 0.00 54.91 54.28 1xf6 h ALA 31 Cb 1.19 0.00 0.04 0.00 0.00 0.00 0.00 17.79 19.02 1xf6 h ALA 31 CO 0.55 0.00 -0.25 0.41 0.00 0.00 0.00 179.25 179.96 1xf6 n GLY 32 N 1.12 0.33 0.00 0.00 0.00 -1.26 -4.99 105.19 100.38 1xf6 n GLY 32 Ca 0.03 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 45.69 1xf6 n GLY 32 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xf6 n GLY 33 N -1.06 0.90 0.31 -0.02 0.00 -1.26 -5.04 105.19 99.02 1xf6 n GLY 33 Ca -0.01 -0.73 0.20 0.00 0.00 0.00 0.00 46.02 45.47 1xf6 n GLY 33 CO 0.00 0.00 0.00 0.06 0.00 0.00 0.00 173.32 173.38 1xf6 h GLN 34 N 0.00 0.00 -0.16 1.61 3.07 -2.01 -0.49 115.11 117.13 1xf6 h GLN 34 Ca 0.00 0.00 0.05 0.00 0.09 0.00 0.00 58.65 58.79 1xf6 h GLN 34 Cb 0.00 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 27.55 1xf6 h GLN 34 CO 0.00 0.00 0.23 -0.44 0.09 0.00 0.00 178.83 178.71 1xf6 h ASP 35 N 0.00 0.00 0.36 0.06 3.32 -1.96 -1.48 116.42 116.72 1xf6 h ASP 35 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1xf6 h ASP 35 Cb 0.25 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.80 1xf6 h ASP 35 CO 0.00 0.00 0.00 0.47 -1.72 0.00 0.00 179.24 177.99 1xf6 n ASP 36 N -3.58 0.00 -0.04 6.45 8.00 -0.19 -2.32 116.55 124.86 1xf6 n ASP 36 Ca 0.01 0.20 0.06 0.00 0.71 0.00 0.00 54.79 55.77 1xf6 n ASP 36 Cb 0.34 -0.35 0.08 0.00 -0.02 0.00 0.00 41.12 41.17 1xf6 n ASP 36 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1xf6 n GLU 37 N -1.35 2.01 -4.23 -1.24 1.02 -0.56 -4.87 120.64 111.42 1xf6 n GLU 37 Ca 0.06 -2.12 -0.15 0.00 -0.02 0.00 0.00 57.16 54.92 1xf6 n GLU 37 Cb 0.14 -1.29 -0.11 0.00 -0.02 0.00 0.00 31.44 30.16 1xf6 n GLU 37 CO 0.00 0.00 0.00 -1.64 1.18 0.00 0.00 177.13 176.67 1xf6 s MET 38 N -2.08 1.00 -0.16 3.49 -1.94 -0.98 -2.10 119.30 116.53 1xf6 s MET 38 Ca 0.19 -1.32 -0.27 0.00 -1.71 0.00 0.00 55.69 52.58 1xf6 s MET 38 Cb 0.16 -0.69 0.07 0.00 2.01 0.00 0.00 34.83 36.38 1xf6 s MET 38 CO 0.02 0.11 0.68 1.41 -0.01 0.00 0.00 175.02 177.22 1xf6 s MET 39 N -3.20 0.91 -0.19 2.03 0.00 -0.30 -4.94 119.30 113.61 1xf6 s MET 39 Ca 0.12 0.63 -0.04 0.00 0.00 0.00 0.00 55.69 56.39 1xf6 s MET 39 Cb -0.01 0.44 -0.02 0.00 0.00 0.00 0.00 34.83 35.24 1xf6 s MET 39 CO 0.01 -0.20 -0.03 0.08 0.00 0.00 0.00 175.02 174.89 1xf6 s VAL 40 N -0.35 3.73 -0.10 10.11 1.01 -1.26 -0.68 120.40 132.86 1xf6 s VAL 40 Ca -0.05 -0.39 -0.00 0.00 0.00 0.00 0.00 61.98 61.54 1xf6 s VAL 40 Cb -0.03 -2.67 -0.03 0.00 0.00 0.00 0.00 36.38 33.66 1xf6 s VAL 40 CO 0.05 0.45 -0.08 -0.75 0.00 0.00 0.00 175.10 174.76 1xf6 s LYS 41 N 0.94 3.06 -0.06 2.72 2.20 -0.17 -5.00 119.74 123.43 1xf6 s LYS 41 Ca 0.00 -0.59 0.01 0.00 -0.36 0.00 0.00 55.97 55.04 1xf6 s LYS 41 Cb -0.14 -2.64 0.02 0.00 -1.51 0.00 0.00 37.83 33.55 1xf6 s LYS 41 CO 0.01 0.47 -0.08 0.08 -0.36 0.00 0.00 175.35 175.47 1xf6 s VAL 42 N -0.28 0.85 0.26 4.02 1.01 -1.26 -1.01 120.40 123.99 1xf6 s VAL 42 Ca 0.03 -0.28 0.09 0.00 0.00 0.00 0.00 61.98 61.82 1xf6 s VAL 42 Cb -0.13 -0.83 -0.05 0.00 0.00 0.00 0.00 36.38 35.37 1xf6 s VAL 42 CO 0.03 0.30 -0.13 0.00 0.00 0.00 0.00 175.10 175.30 1xf6 s ALA 43 N 0.97 2.44 -0.30 5.51 0.00 -0.36 -4.96 121.76 125.06 1xf6 s ALA 43 Ca -0.10 -1.85 -0.02 0.00 0.00 0.00 0.00 51.96 49.99 1xf6 s ALA 43 Cb -0.15 -0.06 0.05 0.00 0.00 0.00 0.00 23.12 22.96 1xf6 s ALA 43 CO 0.00 0.09 0.01 0.45 0.00 0.00 0.00 175.76 176.31 1xf6 s SER 44 N -3.44 4.90 0.08 0.00 0.15 -1.26 -0.09 113.70 114.03 1xf6 s SER 44 Ca 0.28 -1.21 0.05 0.00 0.70 0.00 0.00 55.95 55.76 1xf6 s SER 44 Cb -0.00 -1.73 -0.03 0.00 -1.71 0.00 0.00 66.02 62.55 1xf6 s SER 44 CO 0.12 -0.26 -0.13 0.42 1.20 0.00 0.00 173.24 174.59 1xf6 s THR 45 N 1.28 1.06 0.17 6.45 -4.23 -1.08 -4.90 115.64 114.38 1xf6 s THR 45 Ca -0.04 -1.38 -0.30 0.00 -1.18 0.00 0.00 61.69 58.78 1xf6 s THR 45 Cb -0.19 -1.12 -0.08 0.00 1.34 0.00 0.00 72.50 72.44 1xf6 s THR 45 CO -0.01 -0.31 1.26 -0.75 -0.54 0.00 0.00 174.62 174.28 1xf6 s LYS 46 N -1.98 4.42 -0.15 3.99 2.20 -1.26 -1.58 119.74 125.37 1xf6 s LYS 46 Ca -0.00 1.96 -0.18 0.00 -0.36 0.00 0.00 55.97 57.38 1xf6 s LYS 46 Cb -0.08 -3.24 -0.04 0.00 -1.51 0.00 0.00 37.83 32.96 1xf6 s LYS 46 CO 0.02 -0.22 0.50 0.08 -0.36 0.00 0.00 175.35 175.37 1xf6 s VAL 47 N 0.29 5.16 0.01 4.02 1.01 -0.02 -4.94 120.40 125.92 1xf6 s VAL 47 Ca 0.56 0.96 0.00 0.00 0.00 0.00 0.00 61.98 63.50 1xf6 s VAL 47 Cb -0.34 -3.83 -0.01 0.00 0.00 0.00 0.00 36.38 32.20 1xf6 s VAL 47 CO 0.36 0.27 -0.02 0.42 0.00 0.00 0.00 175.10 176.12 1xf6 s THR 48 N 1.02 0.09 -0.08 3.92 -4.23 -1.26 -4.90 115.64 110.20 1xf6 s THR 48 Ca 0.25 -0.55 0.01 0.00 -1.18 0.00 0.00 61.69 60.22 1xf6 s THR 48 Cb -0.15 -0.18 0.02 0.00 1.34 0.00 0.00 72.50 73.53 1xf6 s THR 48 CO 0.10 -0.29 -0.09 -0.69 -0.54 0.00 0.00 174.62 173.11 1xf6 s VAL 49 N -0.87 1.03 0.62 2.29 1.01 -1.26 -5.14 120.40 118.07 1xf6 s VAL 49 Ca -0.09 -0.36 -0.15 0.00 0.00 0.00 0.00 61.98 61.38 1xf6 s VAL 49 Cb -0.06 -0.99 -0.02 0.00 0.00 0.00 0.00 36.38 35.30 1xf6 s VAL 49 CO -0.01 0.35 1.07 -0.94 0.00 0.00 0.00 175.10 175.57 1xf6 s SER 50 N 1.14 5.61 0.29 3.32 1.04 -1.26 -4.91 113.70 118.94 1xf6 s SER 50 Ca -0.06 1.84 -0.02 0.00 0.48 0.00 0.00 55.95 58.19 1xf6 s SER 50 Cb -0.14 -2.53 0.44 0.00 0.10 0.00 0.00 66.02 63.88 1xf6 s SER 50 CO -0.02 -1.29 1.92 -0.33 0.98 0.00 0.00 173.24 174.50 1xf6 h GLU 51 N 0.26 0.98 -0.38 4.02 5.08 -2.00 -1.06 114.58 121.48 1xf6 h GLU 51 Ca -0.47 -0.11 0.04 0.00 -1.00 0.00 0.00 59.36 57.83 1xf6 h GLU 51 Cb 1.22 -0.20 -0.04 0.00 0.50 0.00 0.00 28.75 30.24 1xf6 h GLU 51 CO 0.57 0.72 0.15 1.03 -1.00 0.00 0.00 179.01 180.48 1xf6 h SER 52 N 0.99 0.19 -0.59 1.42 0.87 -2.00 -0.58 113.55 113.84 1xf6 h SER 52 Ca 0.25 0.03 -0.10 0.00 -1.23 0.00 0.00 61.79 60.75 1xf6 h SER 52 Cb 0.03 0.01 -0.02 0.00 -0.44 0.00 0.00 62.40 61.98 1xf6 h SER 52 CO -0.04 0.14 -0.00 0.44 -0.53 0.00 0.00 176.83 176.84 1xf6 h ASP 53 N 0.32 1.04 -0.56 6.23 3.32 -1.83 -2.26 116.42 122.68 1xf6 h ASP 53 Ca 0.17 -0.29 -0.02 0.00 0.02 0.00 0.00 57.03 56.91 1xf6 h ASP 53 Cb 0.13 -0.28 -0.03 0.00 0.22 0.00 0.00 39.33 39.37 1xf6 h ASP 53 CO -0.16 1.09 0.29 0.00 -1.72 0.00 0.00 179.24 178.74 1xf6 h ALA 54 N 1.02 1.41 -0.79 3.45 0.00 -0.72 -1.40 119.26 122.23 1xf6 h ALA 54 Ca 0.17 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 1xf6 h ALA 54 Cb 0.56 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 18.07 1xf6 h ALA 54 CO 0.03 0.47 0.33 0.00 0.00 0.00 0.00 179.25 180.09 1xf6 h ALA 55 N 1.50 1.02 -0.62 0.00 0.00 -0.77 -0.67 119.26 119.72 1xf6 h ALA 55 Ca 0.21 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 1xf6 h ALA 55 Cb 0.07 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.52 1xf6 h ALA 55 CO -0.03 0.63 0.32 0.87 0.00 0.00 0.00 179.25 181.04 1xf6 h LYS 56 N 1.13 0.89 -0.64 0.00 1.57 -0.83 -2.17 116.57 116.53 1xf6 h LYS 56 Ca 0.27 -0.12 -0.07 0.00 -1.87 0.00 0.00 60.65 58.86 1xf6 h LYS 56 Cb 0.19 -0.17 -0.03 0.00 0.08 0.00 0.00 32.23 32.31 1xf6 h LYS 56 CO -0.03 0.70 0.14 0.87 -0.57 0.00 0.00 179.45 180.56 1xf6 h LYS 57 N 0.85 1.03 -0.89 3.15 1.79 -1.02 -2.85 116.57 118.63 1xf6 h LYS 57 Ca 0.22 -0.26 0.04 0.00 -2.18 0.00 0.00 60.65 58.47 1xf6 h LYS 57 Cb 0.09 -0.13 -0.06 0.00 -1.58 0.00 0.00 32.23 30.55 1xf6 h LYS 57 CO -0.03 0.94 0.57 1.25 -1.08 0.00 0.00 179.45 181.10 1xf6 h LEU 58 N 0.95 0.93 -1.70 2.94 5.85 -0.89 0.40 115.31 123.79 1xf6 h LEU 58 Ca 0.20 -0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.88 1xf6 h LEU 58 Cb 0.38 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.20 1xf6 h LEU 58 CO 0.01 0.63 -0.18 -0.61 -0.34 0.00 0.00 178.44 177.95 1xf6 h GLN 59 N 1.09 0.00 -0.02 1.25 -0.00 -1.17 -0.98 115.11 115.27 1xf6 h GLN 59 Ca 0.36 0.00 -0.06 0.00 -0.00 0.00 0.00 58.65 58.96 1xf6 h GLN 59 Cb 0.05 0.00 0.00 0.00 0.00 0.00 0.00 27.48 27.54 1xf6 h GLN 59 CO -0.13 0.18 -0.21 0.93 0.00 0.00 0.00 178.83 179.59 1xf6 h GLU 60 N 0.00 0.17 -0.34 1.69 5.08 -1.12 -3.38 114.58 116.68 1xf6 h GLU 60 Ca -0.00 -0.16 -0.08 0.00 -1.00 0.00 0.00 59.36 58.11 1xf6 h GLU 60 Cb 0.34 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.62 1xf6 h GLU 60 CO 0.02 0.86 -0.13 0.74 -1.00 0.00 0.00 179.01 179.50 1xf6 h PHE 61 N -0.46 0.64 0.00 4.33 0.05 -0.35 -3.22 116.94 117.93 1xf6 h PHE 61 Ca -0.02 -0.11 0.00 0.00 3.82 0.00 0.00 57.97 61.66 1xf6 h PHE 61 Cb 0.92 -0.17 0.00 0.00 2.00 0.00 0.00 35.95 38.71 1xf6 h PHE 61 CO 0.17 0.70 0.00 1.51 -0.18 0.00 0.00 178.31 180.51 1xf6 n ILE 62 N -4.18 1.20 1.06 -0.55 3.06 -0.43 -1.97 119.36 117.56 1xf6 n ILE 62 Ca 0.01 0.35 0.11 0.00 -2.50 0.00 0.00 62.75 60.73 1xf6 n ILE 62 Cb 0.35 -1.23 0.10 0.00 0.54 0.00 0.00 39.64 39.40 1xf6 n ILE 62 CO 0.00 0.00 0.00 0.35 -2.50 0.00 0.00 176.55 174.40 1xf6 n THR 63 N -1.74 0.00 -3.42 9.51 -2.24 -1.22 -4.99 114.28 110.18 1xf6 n THR 63 Ca 0.02 -0.13 -0.20 0.00 -2.27 0.00 0.00 64.05 61.47 1xf6 n THR 63 Cb 0.13 0.83 0.07 0.00 -2.10 0.00 0.00 70.33 69.27 1xf6 n THR 63 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 1xf6 n PHE 64 N -0.73 -2.40 -2.90 4.78 0.99 -0.83 -5.03 117.46 111.34 1xf6 n PHE 64 Ca 0.08 0.89 -0.21 0.00 -0.00 0.00 0.00 57.45 58.22 1xf6 n PHE 64 Cb 0.39 -4.67 0.07 0.00 -1.00 0.00 0.00 39.48 34.27 1xf6 n PHE 64 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.76 175.55 1xf6 s GLU 65 N -5.89 2.15 0.28 -1.08 0.41 -1.26 -4.99 118.70 108.32 1xf6 s GLU 65 Ca 0.37 -1.46 -0.01 0.00 -0.41 0.00 0.00 54.97 53.46 1xf6 s GLU 65 Cb -0.16 -2.56 -0.02 0.00 -1.78 0.00 0.00 34.13 29.61 1xf6 s GLU 65 CO 0.65 -1.01 0.32 -1.59 -0.49 0.00 0.00 175.26 173.15 1xf6 s LYS 66 N -4.79 1.61 0.40 1.61 -2.85 -1.26 -5.05 119.74 109.41 1xf6 s LYS 66 Ca 0.63 -1.72 -0.05 0.00 -1.00 0.00 0.00 55.97 53.83 1xf6 s LYS 66 Cb -0.06 0.37 0.09 0.00 -2.06 0.00 0.00 37.83 36.17 1xf6 s LYS 66 CO 0.40 -0.62 0.54 0.41 0.10 0.00 0.00 175.35 176.19 1xf6 n GLY 67 N -0.47 -0.71 0.12 0.59 0.00 -1.26 -5.01 105.19 98.45 1xf6 n GLY 67 Ca 0.03 -1.77 -0.12 0.00 0.00 0.00 0.00 46.02 44.15 1xf6 n GLY 67 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1xf6 h ILE 68 N -1.09 1.26 -4.17 -0.61 1.08 -2.03 -3.45 117.51 108.50 1xf6 h ILE 68 Ca -0.18 -0.86 -0.51 0.00 -0.39 0.00 0.00 64.86 62.92 1xf6 h ILE 68 Cb 0.52 1.49 0.11 0.00 -3.07 0.00 0.00 36.82 35.88 1xf6 h ILE 68 CO 0.14 0.26 0.39 -1.81 -0.69 0.00 0.00 178.15 176.44 1xf6 s ASP 69 N -5.81 4.98 0.00 1.72 1.01 -1.26 -4.92 116.67 112.39 1xf6 s ASP 69 Ca -0.14 2.12 0.00 0.00 0.71 0.00 0.00 52.55 55.24 1xf6 s ASP 69 Cb 0.06 -2.57 0.00 0.00 1.01 0.00 0.00 42.92 41.42 1xf6 s ASP 69 CO 0.72 -1.72 0.00 0.61 0.21 0.00 0.00 175.17 174.99 1xf6 n GLY 70 N -0.17 -0.95 3.78 0.21 0.00 -1.26 -4.95 105.19 101.85 1xf6 n GLY 70 Ca 0.11 -1.61 -0.33 0.00 0.00 0.00 0.00 46.02 44.20 1xf6 n GLY 70 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1xf6 s PRO 71 N -2.97 2.89 -0.40 1.61 0.04 -1.26 -5.02 135.00 129.88 1xf6 s PRO 71 Ca 0.00 1.30 -0.25 0.00 0.04 0.00 0.00 61.00 62.09 1xf6 s PRO 71 Cb 0.00 -1.97 0.02 0.00 0.04 0.00 0.00 34.50 32.59 1xf6 s PRO 71 CO 0.00 -1.17 0.86 0.12 0.04 0.00 0.00 177.00 176.85 1xf6 s PHE 72 N -2.46 3.04 -0.54 0.56 5.36 -1.26 -4.90 117.98 117.77 1xf6 s PHE 72 Ca 0.65 0.53 0.05 0.00 -0.96 0.00 0.00 56.93 57.20 1xf6 s PHE 72 Cb -0.19 -3.65 0.02 0.00 -0.34 0.00 0.00 43.02 38.86 1xf6 s PHE 72 CO 0.43 -0.89 0.56 0.25 -1.46 0.00 0.00 175.22 174.11 1xf6 n THR 73 N 6.05 0.00 -2.03 0.12 -2.24 -1.26 -5.02 114.28 109.90 1xf6 n THR 73 Ca 0.05 -0.48 -0.34 0.00 -2.27 0.00 0.00 64.05 61.01 1xf6 n THR 73 Cb 0.48 1.08 0.02 0.00 -2.10 0.00 0.00 70.33 69.82 1xf6 n THR 73 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1xf6 s SER 74 N -0.63 5.41 0.00 3.42 0.15 -1.26 -4.93 113.70 115.86 1xf6 s SER 74 Ca 0.05 2.13 0.17 0.00 0.70 0.00 0.00 55.95 59.01 1xf6 s SER 74 Cb 0.04 -2.57 0.36 0.00 -1.71 0.00 0.00 66.02 62.14 1xf6 s SER 74 CO 0.09 -1.43 1.28 1.17 1.20 0.00 0.00 173.24 175.55 1xf6 n LYS 75 N -1.78 2.31 0.00 5.44 4.81 -1.26 -5.22 118.16 122.46 1xf6 n LYS 75 Ca 0.11 -2.08 0.00 0.00 -0.87 0.00 0.00 58.31 55.47 1xf6 n LYS 75 Cb 0.51 -1.40 0.00 0.00 0.02 0.00 0.00 35.03 34.16 1xf6 n LYS 75 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66