#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 4.04 0.00 0.00 0.00 -1.26 -4.88 119.30 117.20 1xf6 s MET 2 Ca 0.00 1.97 0.22 0.00 0.00 0.00 0.00 55.69 57.88 1xf6 s MET 2 Cb 0.00 -3.99 0.51 0.00 0.00 0.00 0.00 34.83 31.35 1xf6 s MET 2 CO 0.00 -1.00 1.44 -0.40 0.00 0.00 0.00 175.02 175.06 1xf6 n ASP 3 N 7.59 3.25 0.00 1.11 5.68 -1.26 -4.94 116.55 127.99 1xf6 n ASP 3 Ca 0.18 -1.96 0.00 0.00 -0.50 0.00 0.00 54.79 52.51 1xf6 n ASP 3 Cb 0.44 -0.28 0.00 0.00 -1.14 0.00 0.00 41.12 40.14 1xf6 n ASP 3 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 1xf6 n LYS 4 N 1.33 -0.90 0.07 0.11 5.02 -1.26 -4.87 118.16 117.67 1xf6 n LYS 4 Ca 0.20 0.22 0.12 0.00 -2.02 0.00 0.00 58.31 56.83 1xf6 n LYS 4 Cb 0.56 -4.08 0.47 0.00 -0.02 0.00 0.00 35.03 31.96 1xf6 n LYS 4 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 1xf6 n SER 5 N -0.45 0.47 -0.63 4.39 3.41 -1.26 -4.89 113.62 114.66 1xf6 n SER 5 Ca 0.00 0.56 -0.08 0.00 -0.26 0.00 0.00 58.87 59.09 1xf6 n SER 5 Cb 0.22 -0.68 -0.04 0.00 -0.26 0.00 0.00 64.21 63.46 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 -1.67 -0.12 -2.12 7.33 0.00 -1.26 -4.84 120.51 117.82 1xf6 n ALA 6 Ca 0.05 0.13 -0.32 0.00 0.00 0.00 0.00 53.44 53.31 1xf6 n ALA 6 Cb 0.34 -1.48 -0.05 0.00 0.00 0.00 0.00 19.45 18.26 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 -2.49 3.94 0.13 0.00 1.02 -1.26 -0.76 119.74 120.31 1xf6 s LYS 7 Ca 0.00 0.64 -0.11 0.00 0.02 0.00 0.00 55.97 56.52 1xf6 s LYS 7 Cb 0.00 -2.39 0.01 0.00 -0.52 0.00 0.00 37.83 34.93 1xf6 s LYS 7 CO 0.00 0.06 0.29 0.00 -0.92 0.00 0.00 175.35 174.78 1xf6 s ALA 8 N -2.16 -0.38 -0.30 5.17 0.00 -0.61 -4.90 121.76 118.57 1xf6 s ALA 8 Ca 0.54 -0.53 -0.29 0.00 0.00 0.00 0.00 51.96 51.68 1xf6 s ALA 8 Cb -0.10 0.67 0.00 0.00 0.00 0.00 0.00 23.12 23.69 1xf6 s ALA 8 CO 0.23 -0.60 1.29 -1.25 0.00 0.00 0.00 175.76 175.42 1xf6 s PRO 9 N -3.88 3.92 -0.33 0.00 0.04 -1.26 -2.13 135.00 131.36 1xf6 s PRO 9 Ca 0.08 1.23 -0.18 0.00 0.04 0.00 0.00 61.00 62.17 1xf6 s PRO 9 Cb 0.03 -3.87 -0.01 0.00 0.04 0.00 0.00 34.50 30.69 1xf6 s PRO 9 CO -0.08 -1.11 0.50 0.08 0.04 0.00 0.00 177.00 176.43 1xf6 s VAL 10 N 4.34 5.04 -0.17 -0.36 1.01 0.15 -4.92 120.40 125.50 1xf6 s VAL 10 Ca 0.56 0.45 -0.07 0.00 0.00 0.00 0.00 61.98 62.92 1xf6 s VAL 10 Cb -0.16 -3.91 -0.04 0.00 0.00 0.00 0.00 36.38 32.26 1xf6 s VAL 10 CO 0.23 -0.13 0.07 -0.63 0.00 0.00 0.00 175.10 174.64 1xf6 s ILE 11 N 2.35 4.89 -0.15 2.22 1.01 -1.26 -1.56 121.20 128.70 1xf6 s ILE 11 Ca 0.19 -0.00 0.01 0.00 0.00 0.00 0.00 60.65 60.84 1xf6 s ILE 11 Cb -0.15 -3.18 0.02 0.00 0.01 0.00 0.00 42.46 39.15 1xf6 s ILE 11 CO 0.12 0.49 -0.16 -0.89 0.00 0.00 0.00 174.94 174.51 1xf6 s THR 12 N 0.07 1.68 -0.46 2.92 2.01 -0.18 -5.00 115.64 116.67 1xf6 s THR 12 Ca 0.06 -0.71 -0.16 0.00 0.31 0.00 0.00 61.69 61.19 1xf6 s THR 12 Cb -0.12 -1.55 0.06 0.00 0.01 0.00 0.00 72.50 70.90 1xf6 s THR 12 CO 0.01 0.48 0.41 -0.63 -0.69 0.00 0.00 174.62 174.19 1xf6 s ILE 13 N 1.31 5.18 -0.81 1.82 -1.09 -1.26 -1.07 121.20 125.28 1xf6 s ILE 13 Ca 0.02 -0.87 -0.12 0.00 -2.23 0.00 0.00 60.65 57.45 1xf6 s ILE 13 Cb -0.13 -4.11 0.21 0.00 -1.58 0.00 0.00 42.46 36.85 1xf6 s ILE 13 CO -0.09 -0.55 0.73 -0.36 -1.23 0.00 0.00 174.94 173.44 1xf6 s PHE 14 N 1.81 3.72 -0.78 3.97 0.40 0.15 -4.98 117.98 122.27 1xf6 s PHE 14 Ca 0.06 -2.12 -0.17 0.00 -0.60 0.00 0.00 56.93 54.11 1xf6 s PHE 14 Cb -0.22 -3.73 0.16 0.00 0.51 0.00 0.00 43.02 39.74 1xf6 s PHE 14 CO 0.08 -0.97 0.84 0.34 0.70 0.00 0.00 175.22 176.22 1xf6 s ASP 15 N 1.91 6.55 -0.42 1.36 2.15 -1.26 -0.75 116.67 126.21 1xf6 s ASP 15 Ca 0.18 -2.15 0.04 0.00 0.43 0.00 0.00 52.55 51.06 1xf6 s ASP 15 Cb -0.11 -2.29 0.45 0.00 -0.30 0.00 0.00 42.92 40.67 1xf6 s ASP 15 CO -0.08 -0.86 1.38 1.41 -0.17 0.00 0.00 175.17 176.85 1xf6 n HIS 16 N 5.36 2.97 -1.69 -5.34 8.25 -0.75 -5.02 115.22 119.00 1xf6 n HIS 16 Ca 0.09 -2.53 -0.45 0.00 -0.26 0.00 0.00 57.72 54.58 1xf6 n HIS 16 Cb 0.46 -0.56 -0.03 0.00 1.12 0.00 0.00 29.99 30.98 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 -0.70 2.25 -0.94 -0.41 1.74 -1.18 -1.54 116.66 115.87 1xf6 n ARG 17 Ca 0.47 0.81 0.00 0.00 -0.77 0.00 0.00 57.85 58.36 1xf6 n ARG 17 Cb 0.82 -2.54 0.00 0.00 -1.02 0.00 0.00 32.46 29.72 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 2.81 0.94 3.73 -0.13 0.00 -1.26 -5.01 105.19 106.27 1xf6 n GLY 18 Ca 0.14 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.74 1xf6 n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xf6 h SER 20 N 5.78 0.00 -3.34 0.00 4.64 -1.95 -3.42 113.55 115.26 1xf6 h SER 20 Ca -0.43 0.00 -0.58 0.00 -0.47 0.00 0.00 61.79 60.31 1xf6 h SER 20 Cb 1.21 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 63.23 1xf6 h SER 20 CO 0.74 0.00 0.74 -0.60 -0.87 0.00 0.00 176.83 176.84 1xf6 s ARG 21 N -3.27 4.04 0.32 4.77 3.00 -1.26 -4.99 118.95 121.55 1xf6 s ARG 21 Ca 0.06 0.95 -0.29 0.00 -1.00 0.00 0.00 55.73 55.46 1xf6 s ARG 21 Cb 0.10 -3.74 -0.10 0.00 0.00 0.00 0.00 34.95 31.22 1xf6 s ARG 21 CO 0.48 -0.85 1.21 0.00 0.00 0.00 0.00 175.30 176.14 1xf6 s ALA 22 N 3.49 3.44 0.60 6.12 0.00 -1.26 -4.99 121.76 129.15 1xf6 s ALA 22 Ca 0.42 1.09 -0.19 0.00 0.00 0.00 0.00 51.96 53.28 1xf6 s ALA 22 Cb -0.13 -3.41 -0.04 0.00 0.00 0.00 0.00 23.12 19.55 1xf6 s ALA 22 CO 0.15 -0.44 1.18 -2.30 0.00 0.00 0.00 175.76 174.35 1xf6 n PRO 23 N 0.90 1.20 0.00 0.00 -0.02 -1.26 -4.89 135.00 130.92 1xf6 n PRO 23 Ca -0.00 0.46 0.00 0.00 -2.02 0.00 0.00 63.50 61.93 1xf6 n PRO 23 Cb 0.43 -2.39 0.00 0.00 -0.02 0.00 0.00 33.50 31.52 1xf6 n PRO 23 CO 0.00 0.00 0.00 0.36 1.98 0.00 0.00 175.50 177.84 1xf6 n LYS 24 N -1.27 0.70 -0.07 -0.52 2.85 -1.26 -4.98 118.16 113.61 1xf6 n LYS 24 Ca 0.13 0.00 -0.14 0.00 -1.05 0.00 0.00 58.31 57.25 1xf6 n LYS 24 Cb 0.46 -0.12 -0.06 0.00 -0.65 0.00 0.00 35.03 34.67 1xf6 n LYS 24 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 177.40 178.28 1xf6 h GLU 25 N 0.00 0.60 -6.34 -1.58 3.07 -2.03 -3.41 114.58 104.88 1xf6 h GLU 25 Ca 0.00 -0.36 -0.55 0.00 -0.50 0.00 0.00 59.36 57.95 1xf6 h GLU 25 Cb 0.00 0.04 -0.02 0.00 -0.84 0.00 0.00 28.75 27.92 1xf6 h GLU 25 CO 0.00 0.97 0.56 -0.47 -1.40 0.00 0.00 179.01 178.67 1xf6 s TYR 26 N -4.13 3.45 -0.10 4.33 5.04 -1.26 -4.92 117.35 119.76 1xf6 s TYR 26 Ca -0.13 1.48 0.01 0.00 -2.44 0.00 0.00 57.07 55.99 1xf6 s TYR 26 Cb 0.07 -3.27 0.03 0.00 0.35 0.00 0.00 41.96 39.15 1xf6 s TYR 26 CO 0.82 -0.60 0.99 0.25 -1.34 0.00 0.00 175.55 175.67 1xf6 n THR 27 N 4.34 0.94 -1.10 4.34 -2.24 -1.26 -5.03 114.28 114.26 1xf6 n THR 27 Ca 0.09 -0.97 -0.09 0.00 -2.27 0.00 0.00 64.05 60.81 1xf6 n THR 27 Cb 0.48 0.53 0.06 0.00 -2.10 0.00 0.00 70.33 69.31 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 -0.37 -1.62 3.75 3.38 0.00 -1.26 -5.00 105.19 104.08 1xf6 n GLY 28 Ca 0.01 -1.62 -0.36 0.00 0.00 0.00 0.00 46.02 44.05 1xf6 n GLY 28 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xf6 s ALA 29 N -3.71 2.57 0.33 4.61 0.00 -1.26 -5.00 121.76 119.31 1xf6 s ALA 29 Ca 0.22 1.08 -0.13 0.00 0.00 0.00 0.00 51.96 53.13 1xf6 s ALA 29 Cb -0.01 -3.48 -0.08 0.00 0.00 0.00 0.00 23.12 19.55 1xf6 s ALA 29 CO 0.16 -1.23 0.72 0.15 0.00 0.00 0.00 175.76 175.56 1xf6 s LYS 30 N -3.25 3.93 0.07 0.00 1.02 -1.26 -5.01 119.74 115.23 1xf6 s LYS 30 Ca 0.77 0.58 0.15 0.00 0.02 0.00 0.00 55.97 57.48 1xf6 s LYS 30 Cb -0.33 -2.44 -0.14 0.00 -0.52 0.00 0.00 37.83 34.40 1xf6 s LYS 30 CO 0.36 0.13 0.91 0.00 -0.92 0.00 0.00 175.35 175.82 1xf6 h ALA 31 N 2.04 0.66 -0.48 5.17 0.00 -1.94 -3.49 119.26 121.22 1xf6 h ALA 31 Ca -0.48 -0.95 -0.02 0.00 0.00 0.00 0.00 54.91 53.47 1xf6 h ALA 31 Cb 1.18 0.25 0.00 0.00 0.00 0.00 0.00 17.79 19.21 1xf6 h ALA 31 CO 0.65 1.07 -0.02 0.41 0.00 0.00 0.00 179.25 181.36 1xf6 n GLY 32 N 1.41 0.53 0.00 0.00 0.00 -1.26 -5.00 105.19 100.86 1xf6 n GLY 32 Ca -0.09 -0.78 0.00 0.00 0.00 0.00 0.00 46.02 45.15 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 -0.85 1.47 0.40 -0.02 0.00 -1.26 -5.03 105.19 99.91 1xf6 n GLY 33 Ca -0.01 -0.69 0.22 0.00 0.00 0.00 0.00 46.02 45.54 1xf6 n GLY 33 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1xf6 h LYS 34 N 0.00 0.00 0.00 1.61 2.10 -2.01 -0.25 116.57 118.03 1xf6 h LYS 34 Ca 0.00 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1xf6 h LYS 34 Cb 0.00 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.33 1xf6 h LYS 34 CO 0.00 0.00 -0.00 -0.44 -2.00 0.00 0.00 179.45 177.01 1xf6 h ASP 35 N 0.00 0.00 0.55 7.07 3.32 -1.95 -0.43 116.42 124.97 1xf6 h ASP 35 Ca 0.27 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.32 1xf6 h ASP 35 Cb 1.15 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.70 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 -3.35 0.00 -0.75 6.45 8.00 -0.10 -2.84 116.55 123.96 1xf6 n ASP 36 Ca -0.03 0.35 0.07 0.00 0.71 0.00 0.00 54.79 55.89 1xf6 n ASP 36 Cb 0.09 -0.44 0.18 0.00 -0.02 0.00 0.00 41.12 40.93 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 -1.44 2.77 -4.09 -1.24 1.02 -0.17 -4.84 120.64 112.66 1xf6 n GLU 37 Ca 0.06 -2.12 -0.12 0.00 -0.02 0.00 0.00 57.16 54.96 1xf6 n GLU 37 Cb 0.20 -1.32 -0.11 0.00 -0.02 0.00 0.00 31.44 30.19 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 -1.00 0.60 -0.04 3.49 -1.94 -1.13 -1.81 119.30 117.47 1xf6 s MET 38 Ca 0.27 -0.94 -0.29 0.00 -1.71 0.00 0.00 55.69 53.02 1xf6 s MET 38 Cb 0.14 -0.20 0.10 0.00 2.01 0.00 0.00 34.83 36.87 1xf6 s MET 38 CO 0.19 0.01 0.83 0.00 -0.01 0.00 0.00 175.02 176.04 1xf6 s MET 39 N -2.37 0.88 -0.22 2.03 0.23 0.07 -4.93 119.30 114.99 1xf6 s MET 39 Ca -0.03 -0.05 -0.08 0.00 -1.03 0.00 0.00 55.69 54.50 1xf6 s MET 39 Cb -0.04 0.41 -0.04 0.00 -1.53 0.00 0.00 34.83 33.62 1xf6 s MET 39 CO -0.02 -0.33 0.09 0.08 -2.03 0.00 0.00 175.02 172.81 1xf6 s VAL 40 N -2.11 4.75 -0.09 5.16 1.01 -1.26 -0.68 120.40 127.19 1xf6 s VAL 40 Ca -0.02 -0.04 -0.02 0.00 0.00 0.00 0.00 61.98 61.91 1xf6 s VAL 40 Cb -0.01 -3.18 -0.03 0.00 0.00 0.00 0.00 36.38 33.16 1xf6 s VAL 40 CO -0.02 0.39 -0.00 -0.75 0.00 0.00 0.00 175.10 174.72 1xf6 s LYS 41 N 0.94 2.98 0.03 2.72 2.20 -0.23 -5.00 119.74 123.38 1xf6 s LYS 41 Ca 0.05 -0.41 0.02 0.00 -0.36 0.00 0.00 55.97 55.26 1xf6 s LYS 41 Cb -0.14 -2.79 -0.02 0.00 -1.51 0.00 0.00 37.83 33.38 1xf6 s LYS 41 CO 0.03 0.69 -0.06 0.00 -0.36 0.00 0.00 175.35 175.65 1xf6 s ALA 42 N -0.86 0.44 -0.22 3.13 0.00 -1.26 -1.02 121.76 121.97 1xf6 s ALA 42 Ca 0.13 -0.60 -0.20 0.00 0.00 0.00 0.00 51.96 51.30 1xf6 s ALA 42 Cb -0.11 0.03 0.06 0.00 0.00 0.00 0.00 23.12 23.10 1xf6 s ALA 42 CO 0.02 -0.02 0.59 -1.14 0.00 0.00 0.00 175.76 175.21 1xf6 s GLN 43 N -1.21 0.67 -0.19 0.00 0.74 -0.60 -4.98 119.66 114.09 1xf6 s GLN 43 Ca -0.08 0.84 -0.29 0.00 0.05 0.00 0.00 55.36 55.88 1xf6 s GLN 43 Cb -0.08 0.31 0.00 0.00 1.10 0.00 0.00 33.01 34.34 1xf6 s GLN 43 CO 0.00 -0.09 1.04 0.45 -0.55 0.00 0.00 175.29 176.14 1xf6 s SER 44 N 0.44 7.13 -0.01 6.67 0.15 -1.26 -0.67 113.70 126.15 1xf6 s SER 44 Ca -0.01 1.44 0.01 0.00 0.70 0.00 0.00 55.95 58.09 1xf6 s SER 44 Cb -0.04 -2.54 0.01 0.00 -1.71 0.00 0.00 66.02 61.73 1xf6 s SER 44 CO -0.01 -0.61 -0.04 -0.69 1.20 0.00 0.00 173.24 173.09 1xf6 s VAL 45 N 2.88 0.35 -0.05 4.45 1.01 -0.91 -4.95 120.40 123.18 1xf6 s VAL 45 Ca 0.46 -0.13 -0.30 0.00 0.00 0.00 0.00 61.98 62.01 1xf6 s VAL 45 Cb -0.16 -0.34 -0.05 0.00 0.00 0.00 0.00 36.38 35.83 1xf6 s VAL 45 CO 0.10 0.13 1.58 -0.75 0.00 0.00 0.00 175.10 176.16 1xf6 s LYS 46 N 0.27 4.20 -0.10 2.72 2.20 -1.26 -1.58 119.74 126.19 1xf6 s LYS 46 Ca -0.03 2.12 -0.27 0.00 -0.36 0.00 0.00 55.97 57.43 1xf6 s LYS 46 Cb -0.06 -3.89 -0.02 0.00 -1.51 0.00 0.00 37.83 32.35 1xf6 s LYS 46 CO -0.00 -0.79 0.91 0.42 -0.36 0.00 0.00 175.35 175.52 1xf6 s ILE 47 N 3.69 4.86 0.03 5.43 -1.09 0.06 -4.96 121.20 129.23 1xf6 s ILE 47 Ca 0.70 1.84 0.05 0.00 -2.23 0.00 0.00 60.65 61.02 1xf6 s ILE 47 Cb -0.32 -4.22 -0.02 0.00 -1.58 0.00 0.00 42.46 36.31 1xf6 s ILE 47 CO 0.28 0.07 -0.15 -1.61 -1.23 0.00 0.00 174.94 172.29 1xf6 s GLU 48 N 1.74 1.08 -0.06 2.79 2.02 -1.26 -4.92 118.70 120.09 1xf6 s GLU 48 Ca 0.44 -0.72 0.03 0.00 0.02 0.00 0.00 54.97 54.74 1xf6 s GLU 48 Cb -0.18 -1.09 0.01 0.00 0.10 0.00 0.00 34.13 32.97 1xf6 s GLU 48 CO 0.18 0.28 -0.14 0.08 0.02 0.00 0.00 175.26 175.68 1xf6 s VAL 49 N -0.70 1.24 0.65 2.63 1.01 -1.26 -5.14 120.40 118.83 1xf6 s VAL 49 Ca 0.04 -0.56 -0.09 0.00 0.00 0.00 0.00 61.98 61.37 1xf6 s VAL 49 Cb -0.07 -1.11 0.02 0.00 0.00 0.00 0.00 36.38 35.22 1xf6 s VAL 49 CO 0.01 0.37 1.00 -0.94 0.00 0.00 0.00 175.10 175.54 1xf6 s SER 50 N 0.46 5.46 0.20 3.32 1.04 -1.26 -4.94 113.70 117.98 1xf6 s SER 50 Ca -0.12 0.89 -0.11 0.00 0.48 0.00 0.00 55.95 57.10 1xf6 s SER 50 Cb -0.14 -1.77 0.22 0.00 0.10 0.00 0.00 66.02 64.43 1xf6 s SER 50 CO 0.04 -1.24 1.78 0.74 0.98 0.00 0.00 173.24 175.54 1xf6 h THR 51 N -0.44 0.90 -0.64 2.02 2.02 -2.01 -1.48 112.91 113.28 1xf6 h THR 51 Ca -0.45 -0.18 -0.03 0.00 0.77 0.00 0.00 66.41 66.52 1xf6 h THR 51 Cb 1.26 0.32 -0.03 0.00 -1.74 0.00 0.00 68.15 67.96 1xf6 h THR 51 CO 0.62 0.10 0.28 1.23 0.37 0.00 0.00 175.52 178.11 1xf6 h GLY 52 N 0.53 1.02 0.91 2.16 0.00 -1.99 0.76 103.07 106.45 1xf6 h GLY 52 Ca 0.28 -0.54 -0.03 0.00 0.00 0.00 0.00 47.33 47.04 1xf6 h GLY 52 CO -0.22 0.51 0.09 -0.84 0.00 0.00 0.00 176.54 176.09 1xf6 h THR 53 N 0.90 1.21 -0.81 4.70 2.02 -1.88 -1.00 112.91 118.05 1xf6 h THR 53 Ca 0.22 -0.69 0.04 0.00 0.77 0.00 0.00 66.41 66.75 1xf6 h THR 53 Cb 0.18 1.05 -0.05 0.00 -1.74 0.00 0.00 68.15 67.58 1xf6 h THR 53 CO -0.02 0.23 0.51 0.00 0.37 0.00 0.00 175.52 176.61 1xf6 h ALA 54 N 0.93 1.08 -0.79 6.16 0.00 -0.90 -1.11 119.26 124.63 1xf6 h ALA 54 Ca 0.10 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.95 1xf6 h ALA 54 Cb 0.26 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 1xf6 h ALA 54 CO -0.00 0.29 0.31 0.93 0.00 0.00 0.00 179.25 180.78 1xf6 h GLU 55 N 0.96 1.18 -0.62 0.00 5.08 -0.65 -1.57 114.58 118.96 1xf6 h GLU 55 Ca 0.33 -0.22 -0.04 0.00 -1.00 0.00 0.00 59.36 58.44 1xf6 h GLU 55 Cb 0.07 -0.19 -0.03 0.00 0.50 0.00 0.00 28.75 29.10 1xf6 h GLU 55 CO -0.14 0.96 0.23 0.78 -1.00 0.00 0.00 179.01 179.84 1xf6 h GLY 56 N 1.14 1.00 1.20 -3.84 0.00 -0.44 -1.24 103.07 100.90 1xf6 h GLY 56 Ca 0.26 -0.56 -0.13 0.00 0.00 0.00 0.00 47.33 46.90 1xf6 h GLY 56 CO -0.02 0.53 -0.25 -2.08 0.00 0.00 0.00 176.54 174.72 1xf6 h VAL 57 N 0.87 1.27 -0.24 4.60 2.07 -1.09 -1.36 116.25 122.37 1xf6 h VAL 57 Ca 0.20 -1.40 0.04 0.00 0.82 0.00 0.00 66.70 66.36 1xf6 h VAL 57 Cb 0.23 1.20 -0.04 0.00 -1.52 0.00 0.00 31.29 31.16 1xf6 h VAL 57 CO -0.01 0.48 0.02 0.25 0.02 0.00 0.00 177.57 178.32 1xf6 h LEU 58 N 0.78 -0.05 -0.58 2.57 5.85 -1.12 -0.06 115.31 122.70 1xf6 h LEU 58 Ca 0.10 0.05 -0.02 0.00 0.84 0.00 0.00 57.88 58.85 1xf6 h LEU 58 Cb 0.81 0.08 -0.03 0.00 0.37 0.00 0.00 40.66 41.89 1xf6 h LEU 58 CO 0.07 0.01 0.29 0.00 -0.34 0.00 0.00 178.44 178.47 1xf6 h ALA 59 N 1.20 0.74 -0.50 1.25 0.00 -1.02 -0.75 119.26 120.18 1xf6 h ALA 59 Ca 0.11 -0.12 0.03 0.00 0.00 0.00 0.00 54.91 54.93 1xf6 h ALA 59 Cb 0.13 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 1xf6 h ALA 59 CO -0.18 0.29 0.30 1.15 0.00 0.00 0.00 179.25 180.81 1xf6 h THR 60 N 0.78 1.04 -0.39 0.00 2.02 -1.04 -1.77 112.91 113.56 1xf6 h THR 60 Ca 0.20 -0.20 -0.03 0.00 0.77 0.00 0.00 66.41 67.14 1xf6 h THR 60 Cb 0.09 0.40 -0.02 0.00 -1.74 0.00 0.00 68.15 66.89 1xf6 h THR 60 CO -0.03 0.11 0.11 0.28 0.37 0.00 0.00 175.52 176.36 1xf6 h SER 61 N 0.59 0.58 -0.92 4.18 0.02 -0.61 -0.52 113.55 116.87 1xf6 h SER 61 Ca 0.20 -0.22 -0.01 0.00 -0.84 0.00 0.00 61.79 60.93 1xf6 h SER 61 Cb 0.03 -0.15 -0.04 0.00 0.14 0.00 0.00 62.40 62.37 1xf6 h SER 61 CO -0.10 0.65 0.54 -0.07 -1.14 0.00 0.00 176.83 176.72 1xf6 h LEU 62 N 0.49 1.11 -0.65 5.07 3.38 -1.04 -0.61 115.31 123.05 1xf6 h LEU 62 Ca 0.13 -0.07 -0.14 0.00 0.09 0.00 0.00 57.88 57.88 1xf6 h LEU 62 Cb 0.28 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 1xf6 h LEU 62 CO -0.00 0.85 -0.67 0.00 0.09 0.00 0.00 178.44 178.71 1xf6 h ALA 63 N 1.30 0.88 0.00 1.53 0.00 -0.99 -3.28 119.26 118.69 1xf6 h ALA 63 Ca 0.33 -0.60 -0.20 0.00 0.00 0.00 0.00 54.91 54.44 1xf6 h ALA 63 Cb -0.04 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 1xf6 h ALA 63 CO -0.06 0.82 -1.36 0.87 0.00 0.00 0.00 179.25 179.52 1xf6 h LYS 64 N 0.03 0.00 -7.25 0.00 1.57 -0.88 -3.47 116.57 106.56 1xf6 h LYS 64 Ca -0.01 0.00 -0.51 0.00 -1.87 0.00 0.00 60.65 58.26 1xf6 h LYS 64 Cb 1.19 0.00 0.11 0.00 0.08 0.00 0.00 32.23 33.61 1xf6 h LYS 64 CO 0.09 0.42 0.35 0.00 -0.57 0.00 0.00 179.45 179.74 1xf6 s MET 65 N -2.82 2.57 0.14 3.15 0.23 -0.26 -4.99 119.30 117.31 1xf6 s MET 65 Ca -0.02 1.28 0.00 0.00 -1.03 0.00 0.00 55.69 55.91 1xf6 s MET 65 Cb 0.08 -1.93 0.00 0.00 -1.53 0.00 0.00 34.83 31.46 1xf6 s MET 65 CO 0.81 -1.42 0.00 0.25 -2.03 0.00 0.00 175.02 172.63 1xf6 n THR 66 N -2.92 0.67 -1.65 3.16 -2.24 -1.26 -4.97 114.28 105.07 1xf6 n THR 66 Ca 0.10 0.22 0.00 0.00 -2.27 0.00 0.00 64.05 62.10 1xf6 n THR 66 Cb 0.52 -1.12 0.00 0.00 -2.10 0.00 0.00 70.33 67.64 1xf6 n THR 66 CO 0.00 0.00 0.00 2.29 -0.57 0.00 0.00 175.07 176.79