#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fi8 h LEU 7 N 0.00 0.00 -0.81 2.45 5.85 -2.02 -3.09 115.31 117.69 1fi8 h LEU 7 Ca 0.00 0.00 -0.06 0.00 0.84 0.00 0.00 57.88 58.66 1fi8 h LEU 7 Cb 0.00 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.02 1fi8 h LEU 7 CO 0.00 0.00 -0.26 -0.33 -0.34 0.00 0.00 178.44 177.51 1fi8 h GLU 8 N 0.00 0.00 0.00 1.25 4.39 -1.97 -2.58 114.58 115.67 1fi8 h GLU 8 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1fi8 h GLU 8 Cb 0.71 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.36 1fi8 h GLU 8 CO 0.00 0.26 0.00 1.63 -1.16 0.00 0.00 179.01 179.74 1fi8 n LYS 9 N -3.33 0.08 -0.11 2.33 4.01 -1.17 -3.56 118.16 116.42 1fi8 n LYS 9 Ca 0.01 0.24 -0.19 0.00 -0.51 0.00 0.00 58.31 57.86 1fi8 n LYS 9 Cb 0.50 -1.64 -0.07 0.00 -0.51 0.00 0.00 35.03 33.31 1fi8 n LYS 9 CO 0.00 0.00 0.00 -0.89 -1.11 0.00 0.00 177.40 175.40 1fi8 n ILE 10 N -1.79 1.51 -3.65 -0.18 5.41 -1.00 -5.09 119.36 114.56 1fi8 n ILE 10 Ca 0.04 -0.08 -0.04 0.00 1.00 0.00 0.00 62.75 63.66 1fi8 n ILE 10 Cb 0.25 -2.12 -0.01 0.00 -0.71 0.00 0.00 39.64 37.04 1fi8 n ILE 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1fi8 s ALA 11 N -2.64 -1.80 -1.19 -1.39 0.00 -1.04 -5.06 121.76 108.63 1fi8 s ALA 11 Ca -0.31 0.55 -0.09 0.00 0.00 0.00 0.00 51.96 52.11 1fi8 s ALA 11 Cb 0.08 0.49 -0.13 0.00 0.00 0.00 0.00 23.12 23.57 1fi8 s ALA 11 CO 0.45 -0.91 3.12 -0.35 0.00 0.00 0.00 175.76 178.07 1fi8 n PRO 12 N -0.38 3.28 -1.84 0.00 -0.04 -1.26 -4.19 135.00 130.57 1fi8 n PRO 12 Ca -0.07 -1.93 -0.41 0.00 -0.04 0.00 0.00 63.50 61.05 1fi8 n PRO 12 Cb 0.61 -2.59 -0.01 0.00 -0.04 0.00 0.00 33.50 31.47 1fi8 n PRO 12 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 1fi8 s TYR 13 N 1.75 2.77 0.71 0.54 2.02 -1.26 -4.93 117.35 118.95 1fi8 s TYR 13 Ca 0.69 0.94 -0.16 0.00 -0.37 0.00 0.00 57.07 58.17 1fi8 s TYR 13 Cb 0.22 -4.00 0.03 0.00 -0.40 0.00 0.00 41.96 37.80 1fi8 s TYR 13 CO -0.05 -3.23 1.21 -1.25 -1.57 0.00 0.00 175.55 170.67 1fi8 s PRO 14 N -0.91 2.27 0.48 -1.71 0.04 -1.26 -5.00 135.00 128.92 1fi8 s PRO 14 Ca 0.60 1.78 -0.19 0.00 0.04 0.00 0.00 61.00 63.23 1fi8 s PRO 14 Cb -0.46 -1.85 -0.09 0.00 0.04 0.00 0.00 34.50 32.14 1fi8 s PRO 14 CO 0.51 -1.74 0.98 -0.65 0.04 0.00 0.00 177.00 176.14 1fi8 s GLN 15 N -3.82 4.01 0.38 4.56 -1.52 -1.26 -4.99 119.66 117.02 1fi8 s GLN 15 Ca 0.75 1.10 -0.27 0.00 -1.95 0.00 0.00 55.36 54.99 1fi8 s GLN 15 Cb -0.30 -2.14 -0.10 0.00 -0.22 0.00 0.00 33.01 30.25 1fi8 s GLN 15 CO 0.43 -0.22 1.41 0.00 -0.25 0.00 0.00 175.29 176.66 1fi8 s ALA 16 N -2.33 3.45 0.96 6.09 0.00 -1.26 -4.99 121.76 123.68 1fi8 s ALA 16 Ca 0.62 1.43 -0.14 0.00 0.00 0.00 0.00 51.96 53.87 1fi8 s ALA 16 Cb -0.11 -3.56 0.17 0.00 0.00 0.00 0.00 23.12 19.63 1fi8 s ALA 16 CO 0.22 -0.95 1.19 -1.21 0.00 0.00 0.00 175.76 175.01 1fi8 s GLU 17 N -2.10 0.70 -0.05 0.00 2.02 -1.26 -4.86 118.70 113.15 1fi8 s GLU 17 Ca 0.54 0.02 -0.33 0.00 0.02 0.00 0.00 54.97 55.21 1fi8 s GLU 17 Cb -0.43 -1.81 -0.11 0.00 0.10 0.00 0.00 34.13 31.87 1fi8 s GLU 17 CO 0.58 -2.44 1.89 0.36 0.02 0.00 0.00 175.26 175.67 1fi8 n LYS 18 N -3.88 2.34 -0.58 1.61 2.85 -1.26 -0.86 118.16 118.38 1fi8 n LYS 18 Ca 0.10 0.86 0.00 0.00 -1.05 0.00 0.00 58.31 58.22 1fi8 n LYS 18 Cb 0.60 -2.73 0.00 0.00 -0.65 0.00 0.00 35.03 32.25 1fi8 n LYS 18 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1fi8 n GLY 19 N 4.41 0.77 3.74 2.58 0.00 -1.26 -5.04 105.19 110.39 1fi8 n GLY 19 Ca 0.22 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.00 1fi8 n GLY 19 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1fi8 s MET 20 N -0.42 2.30 0.06 1.61 1.00 -0.04 -5.15 119.30 118.67 1fi8 s MET 20 Ca 0.00 -1.69 0.03 0.00 0.00 0.00 0.00 55.69 54.03 1fi8 s MET 20 Cb 0.00 -2.09 -0.03 0.00 0.00 0.00 0.00 34.83 32.71 1fi8 s MET 20 CO 0.00 -0.02 -0.09 0.21 0.00 0.00 0.00 175.02 175.12 1fi8 s LYS 21 N -3.89 0.65 -0.21 2.03 2.20 -1.26 -4.65 119.74 114.60 1fi8 s LYS 21 Ca 0.40 -0.91 0.02 0.00 -0.36 0.00 0.00 55.97 55.12 1fi8 s LYS 21 Cb 0.00 -0.41 0.04 0.00 -1.51 0.00 0.00 37.83 35.95 1fi8 s LYS 21 CO 0.23 0.07 -0.16 0.50 -0.36 0.00 0.00 175.35 175.63 1fi8 s ARG 22 N -2.01 2.65 0.07 4.03 3.52 -1.26 -4.91 118.95 121.04 1fi8 s ARG 22 Ca -0.04 -1.05 0.05 0.00 -0.13 0.00 0.00 55.73 54.56 1fi8 s ARG 22 Cb -0.07 -2.70 -0.04 0.00 -1.56 0.00 0.00 34.95 30.58 1fi8 s ARG 22 CO 0.00 -0.37 -0.05 -0.65 -0.81 0.00 0.00 175.30 173.42 1fi8 s GLN 23 N 1.21 2.42 -0.02 5.12 1.11 -1.26 -5.07 119.66 123.17 1fi8 s GLN 23 Ca -0.01 -0.86 0.04 0.00 0.01 0.00 0.00 55.36 54.54 1fi8 s GLN 23 Cb -0.16 -2.46 -0.01 0.00 -1.01 0.00 0.00 33.01 29.38 1fi8 s GLN 23 CO -0.10 0.55 -0.13 0.08 0.01 0.00 0.00 175.29 175.70 1fi8 s VAL 24 N -1.18 1.06 -0.21 1.09 1.01 -1.26 -5.09 120.40 115.82 1fi8 s VAL 24 Ca 0.22 -0.56 -0.01 0.00 0.00 0.00 0.00 61.98 61.63 1fi8 s VAL 24 Cb -0.11 -0.89 0.01 0.00 0.00 0.00 0.00 36.38 35.39 1fi8 s VAL 24 CO 0.13 0.30 -0.12 -0.63 0.00 0.00 0.00 175.10 174.79 1fi8 s ILE 25 N -0.20 2.64 -0.40 2.22 1.01 -1.26 -5.08 121.20 120.13 1fi8 s ILE 25 Ca 0.03 -0.82 -0.03 0.00 0.00 0.00 0.00 60.65 59.83 1fi8 s ILE 25 Cb -0.06 -2.20 0.10 0.00 0.01 0.00 0.00 42.46 40.31 1fi8 s ILE 25 CO -0.00 0.43 0.19 -1.58 0.00 0.00 0.00 174.94 173.98 1fi8 s GLN 26 N 1.36 2.10 0.55 2.79 0.74 -1.26 -5.09 119.66 120.85 1fi8 s GLN 26 Ca 0.04 -1.74 -0.20 0.00 0.05 0.00 0.00 55.36 53.52 1fi8 s GLN 26 Cb -0.14 -3.57 -0.05 0.00 1.10 0.00 0.00 33.01 30.34 1fi8 s GLN 26 CO -0.08 -1.02 1.15 -0.51 -0.55 0.00 0.00 175.29 174.27 1fi8 s LEU 27 N 1.18 3.75 -0.01 3.68 1.43 -1.26 -4.99 118.68 122.46 1fi8 s LEU 27 Ca 0.06 2.23 -0.26 0.00 -1.03 0.00 0.00 54.13 55.14 1fi8 s LEU 27 Cb -0.23 -4.57 -0.04 0.00 0.03 0.00 0.00 46.19 41.39 1fi8 s LEU 27 CO -0.03 -1.28 0.80 0.42 0.23 0.00 0.00 176.35 176.49 1fi8 s THR 28 N -1.72 4.88 0.46 5.49 -4.23 -1.26 -5.00 115.64 114.26 1fi8 s THR 28 Ca 0.73 1.69 -0.24 0.00 -1.18 0.00 0.00 61.69 62.69 1fi8 s THR 28 Cb -0.26 -4.15 -0.09 0.00 1.34 0.00 0.00 72.50 69.35 1fi8 s THR 28 CO 0.29 0.27 1.17 -2.65 -0.54 0.00 0.00 174.62 173.15 1fi8 n PRO 29 N 3.47 1.59 -4.07 3.99 -0.02 -1.26 -5.02 135.00 133.69 1fi8 n PRO 29 Ca 0.00 0.57 -0.10 0.00 -2.02 0.00 0.00 63.50 61.96 1fi8 n PRO 29 Cb 0.51 -2.28 -0.11 0.00 -0.02 0.00 0.00 33.50 31.60 1fi8 n PRO 29 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 1fi8 s GLN 30 N -2.31 0.55 0.10 -0.52 -1.52 -1.26 -5.07 119.66 109.62 1fi8 s GLN 30 Ca 0.65 -0.93 -0.28 0.00 -1.95 0.00 0.00 55.36 52.85 1fi8 s GLN 30 Cb -0.50 -0.06 -0.12 0.00 -0.22 0.00 0.00 33.01 32.11 1fi8 s GLN 30 CO 0.55 -0.02 1.65 1.05 -0.25 0.00 0.00 175.29 178.27 1fi8 h GLU 31 N 3.95 -0.49 -4.49 2.91 4.11 -2.07 -3.37 114.58 115.13 1fi8 h GLU 31 Ca -0.34 0.03 -0.67 0.00 0.07 0.00 0.00 59.36 58.45 1fi8 h GLU 31 Cb 1.18 0.11 -0.38 0.00 0.50 0.00 0.00 28.75 30.17 1fi8 h GLU 31 CO 0.51 -0.32 -0.64 0.34 0.07 0.00 0.00 179.01 178.97 1fi8 s ASP 32 N -4.77 4.93 0.00 3.06 2.15 -1.26 -4.94 116.67 115.84 1fi8 s ASP 32 Ca -0.16 -2.19 0.27 0.00 0.43 0.00 0.00 52.55 50.90 1fi8 s ASP 32 Cb 0.06 -1.71 0.92 0.00 -0.30 0.00 0.00 42.92 41.89 1fi8 s ASP 32 CO 0.65 -0.43 1.69 -0.62 -0.17 0.00 0.00 175.17 176.29 1fi8 n GLU 33 N 4.27 0.13 0.25 4.34 1.02 -1.26 -3.45 120.64 125.94 1fi8 n GLU 33 Ca 0.02 -0.05 0.14 0.00 -0.02 0.00 0.00 57.16 57.25 1fi8 n GLU 33 Cb 0.41 -1.50 0.50 0.00 -0.02 0.00 0.00 31.44 30.83 1fi8 n GLU 33 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 1fi8 h SER 34 N 0.12 0.00 -0.38 1.62 4.64 -1.96 -2.64 113.55 114.95 1fi8 h SER 34 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1fi8 h SER 34 Cb 0.48 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.57 1fi8 h SER 34 CO 0.00 0.07 0.00 0.35 -0.87 0.00 0.00 176.83 176.38 1fi8 n THR 35 N -3.17 1.55 -4.21 2.95 -2.24 -1.22 -4.90 114.28 103.04 1fi8 n THR 35 Ca 0.01 -0.84 -0.14 0.00 -2.27 0.00 0.00 64.05 60.81 1fi8 n THR 35 Cb 0.40 -0.24 -0.10 0.00 -2.10 0.00 0.00 70.33 68.29 1fi8 n THR 35 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1fi8 s LEU 36 N -1.61 2.46 0.16 3.22 1.43 -0.99 -5.15 118.68 118.19 1fi8 s LEU 36 Ca 0.34 -0.90 -0.07 0.00 -1.03 0.00 0.00 54.13 52.47 1fi8 s LEU 36 Cb 0.25 -0.32 -0.02 0.00 0.03 0.00 0.00 46.19 46.13 1fi8 s LEU 36 CO 0.12 -0.30 0.24 -0.54 0.23 0.00 0.00 176.35 176.11 1fi8 s LYS 37 N -3.20 1.12 -0.10 1.70 1.02 -1.26 -5.02 119.74 114.00 1fi8 s LYS 37 Ca 0.10 -1.24 0.03 0.00 0.02 0.00 0.00 55.97 54.88 1fi8 s LYS 37 Cb -0.00 0.35 0.01 0.00 -0.52 0.00 0.00 37.83 37.67 1fi8 s LYS 37 CO -0.00 -0.40 -0.18 0.08 -0.92 0.00 0.00 175.35 173.93 1fi8 s VAL 38 N -3.99 1.66 -0.22 3.17 1.01 -1.26 -5.11 120.40 115.67 1fi8 s VAL 38 Ca 0.19 -0.77 -0.11 0.00 0.00 0.00 0.00 61.98 61.30 1fi8 s VAL 38 Cb 0.04 -1.48 -0.05 0.00 0.00 0.00 0.00 36.38 34.89 1fi8 s VAL 38 CO 0.01 0.47 0.17 -0.70 0.00 0.00 0.00 175.10 175.05 1fi8 s GLU 39 N 0.70 4.13 -0.03 2.72 2.12 -1.26 -5.07 118.70 122.02 1fi8 s GLU 39 Ca -0.12 -0.20 -0.21 0.00 0.36 0.00 0.00 54.97 54.80 1fi8 s GLU 39 Cb -0.16 -3.49 -0.05 0.00 0.26 0.00 0.00 34.13 30.69 1fi8 s GLU 39 CO 0.03 0.16 0.61 -0.51 -0.54 0.00 0.00 175.26 175.01 1fi8 s LEU 40 N 0.77 4.38 -0.45 2.70 1.43 -1.26 -5.03 118.68 121.22 1fi8 s LEU 40 Ca 0.09 1.14 -0.00 0.00 -1.03 0.00 0.00 54.13 54.33 1fi8 s LEU 40 Cb -0.13 -2.95 0.12 0.00 0.03 0.00 0.00 46.19 43.27 1fi8 s LEU 40 CO 0.02 0.04 0.22 -0.76 0.23 0.00 0.00 176.35 176.10 1fi8 s LEU 41 N 0.14 5.00 -0.26 1.79 1.43 -1.26 -5.08 118.68 120.44 1fi8 s LEU 41 Ca 0.32 -2.37 -0.08 0.00 -1.03 0.00 0.00 54.13 50.98 1fi8 s LEU 41 Cb -0.18 -1.76 -0.03 0.00 0.03 0.00 0.00 46.19 44.25 1fi8 s LEU 41 CO 0.17 -0.42 0.09 -0.63 0.23 0.00 0.00 176.35 175.78 1fi8 s ILE 42 N 0.64 4.44 0.00 -0.59 1.01 -1.26 -5.04 121.20 120.40 1fi8 s ILE 42 Ca 0.12 -0.15 0.00 0.00 0.00 0.00 0.00 60.65 60.62 1fi8 s ILE 42 Cb -0.22 -3.10 0.00 0.00 0.01 0.00 0.00 42.46 39.16 1fi8 s ILE 42 CO -0.04 0.31 0.00 0.61 0.00 0.00 0.00 174.94 175.82 1fi8 n GLY 43 N 4.94 1.98 3.26 6.18 0.00 -1.26 -4.98 105.19 115.32 1fi8 n GLY 43 Ca -0.16 -0.64 -0.12 0.00 0.00 0.00 0.00 46.02 45.10 1fi8 n GLY 43 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1fi8 s GLN 44 N 1.13 0.41 -0.31 1.61 -2.07 -1.26 -5.11 119.66 114.07 1fi8 s GLN 44 Ca 0.00 0.63 -0.29 0.00 -1.82 0.00 0.00 55.36 53.88 1fi8 s GLN 44 Cb 0.00 0.11 -0.01 0.00 -1.09 0.00 0.00 33.01 32.02 1fi8 s GLN 44 CO 0.00 -0.10 1.55 0.99 -1.32 0.00 0.00 175.29 176.41 1fi8 s THR 45 N 0.72 3.77 0.25 3.63 2.01 -1.26 -4.98 115.64 119.79 1fi8 s THR 45 Ca -0.04 0.83 0.11 0.00 0.31 0.00 0.00 61.69 62.90 1fi8 s THR 45 Cb -0.05 -3.90 -0.05 0.00 0.01 0.00 0.00 72.50 68.51 1fi8 s THR 45 CO -0.05 -0.48 -0.19 -0.76 -0.69 0.00 0.00 174.62 172.45 1fi8 s LEU 46 N 5.52 2.57 -0.49 4.42 1.02 -1.26 -5.10 118.68 125.35 1fi8 s LEU 46 Ca 0.68 -1.01 -0.13 0.00 0.02 0.00 0.00 54.13 53.69 1fi8 s LEU 46 Cb -0.20 -1.01 0.11 0.00 0.02 0.00 0.00 46.19 45.11 1fi8 s LEU 46 CO 0.30 -0.00 0.41 -1.83 0.02 0.00 0.00 176.35 175.25 1fi8 s GLU 47 N -3.45 2.82 0.43 1.70 1.03 -1.26 -5.05 118.70 114.92 1fi8 s GLU 47 Ca 0.27 -1.60 0.06 0.00 0.03 0.00 0.00 54.97 53.73 1fi8 s GLU 47 Cb -0.04 -4.10 -0.06 0.00 -0.80 0.00 0.00 34.13 29.13 1fi8 s GLU 47 CO 0.13 -1.18 0.08 0.14 -1.33 0.00 0.00 175.26 173.10 1fi8 s VAL 48 N 1.53 1.97 -1.08 1.83 -7.23 -1.26 -5.07 120.40 111.10 1fi8 s VAL 48 Ca 0.04 -1.88 -0.02 0.00 -1.81 0.00 0.00 61.98 58.31 1fi8 s VAL 48 Cb -0.27 -2.85 0.28 0.00 0.56 0.00 0.00 36.38 34.10 1fi8 s VAL 48 CO 0.03 0.00 1.95 -0.90 -0.31 0.00 0.00 175.10 175.87 1fi8 n ASP 49 N -1.13 7.50 -1.84 4.85 5.68 -1.26 -5.19 116.55 125.16 1fi8 n ASP 49 Ca -0.05 -3.59 0.00 0.00 -0.50 0.00 0.00 54.79 50.65 1fi8 n ASP 49 Cb 0.66 -1.20 0.00 0.00 -1.14 0.00 0.00 41.12 39.44 1fi8 n ASP 49 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1fi8 n LEU 52 N 1.76 0.00 -3.89 0.00 4.77 -1.26 -5.21 117.00 113.17 1fi8 n LEU 52 Ca 0.00 0.00 -0.27 0.00 -0.03 0.00 0.00 56.01 55.71 1fi8 n LEU 52 Cb 0.00 0.00 -0.17 0.00 -2.33 0.00 0.00 43.42 40.92 1fi8 n LEU 52 CO 0.00 0.00 -0.43 -1.00 -1.33 0.00 0.00 177.39 174.63 1fi8 s HIS 53 N -2.00 1.54 -0.10 -1.77 3.76 -1.26 -4.28 115.29 111.18 1fi8 s HIS 53 Ca 0.00 -0.86 0.03 0.00 -0.15 0.00 0.00 55.06 54.08 1fi8 s HIS 53 Cb 0.00 -1.25 0.00 0.00 1.11 0.00 0.00 32.58 32.44 1fi8 s HIS 53 CO 0.00 -0.55 -0.22 1.03 -0.85 0.00 0.00 174.74 174.15 1fi8 s ARG 54 N 1.69 2.84 0.47 1.40 1.81 -0.99 -5.03 118.95 121.15 1fi8 s ARG 54 Ca 0.03 -0.80 -0.21 0.00 -1.72 0.00 0.00 55.73 53.02 1fi8 s ARG 54 Cb -0.14 -2.20 -0.08 0.00 -0.45 0.00 0.00 34.95 32.09 1fi8 s ARG 54 CO -0.08 0.12 1.08 -1.17 -0.68 0.00 0.00 175.30 174.57 1fi8 s LEU 55 N 0.49 3.92 0.64 2.53 2.96 -1.26 -0.90 118.68 127.06 1fi8 s LEU 55 Ca -0.16 2.08 0.04 0.00 -0.22 0.00 0.00 54.13 55.87 1fi8 s LEU 55 Cb -0.17 -4.42 0.10 0.00 0.50 0.00 0.00 46.19 42.20 1fi8 s LEU 55 CO 0.06 -0.84 0.89 -0.83 -1.32 0.00 0.00 176.35 174.31 1fi8 s GLY 56 N -1.73 1.76 0.00 7.98 0.00 -1.26 -4.78 107.32 109.29 1fi8 s GLY 56 Ca 0.66 -1.90 0.00 0.00 0.00 0.00 0.00 44.72 43.48 1fi8 s GLY 56 CO 0.26 -1.40 0.00 0.61 0.00 0.00 0.00 173.10 172.57 1fi8 n GLY 57 N -2.54 2.84 3.16 0.20 0.00 -1.25 -4.66 105.19 102.95 1fi8 n GLY 57 Ca 0.15 -1.98 -0.24 0.00 0.00 0.00 0.00 46.02 43.95 1fi8 n GLY 57 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1fi8 s LYS 58 N -2.86 1.37 -0.27 1.61 1.02 -1.04 -4.99 119.74 114.58 1fi8 s LYS 58 Ca 0.00 -0.63 -0.17 0.00 0.02 0.00 0.00 55.97 55.19 1fi8 s LYS 58 Cb 0.00 -1.33 -0.03 0.00 -0.52 0.00 0.00 37.83 35.95 1fi8 s LYS 58 CO 0.00 0.36 0.47 -1.17 -0.92 0.00 0.00 175.35 174.09 1fi8 s LEU 59 N -0.47 4.05 -0.10 3.17 2.96 -1.26 -3.04 118.68 123.99 1fi8 s LEU 59 Ca 0.06 0.43 -0.03 0.00 -0.22 0.00 0.00 54.13 54.37 1fi8 s LEU 59 Cb -0.07 -2.58 -0.04 0.00 0.50 0.00 0.00 46.19 44.01 1fi8 s LEU 59 CO -0.00 -0.26 0.04 -1.83 -1.32 0.00 0.00 176.35 172.98 1fi8 s GLU 60 N 2.23 3.12 -0.18 1.98 -1.05 0.03 -4.96 118.70 119.87 1fi8 s GLU 60 Ca 0.19 -0.33 -0.09 0.00 -0.15 0.00 0.00 54.97 54.59 1fi8 s GLU 60 Cb -0.16 -2.91 -0.05 0.00 -0.44 0.00 0.00 34.13 30.58 1fi8 s GLU 60 CO 0.09 0.71 0.11 1.21 0.95 0.00 0.00 175.26 178.34 1fi8 s ASN 61 N -0.89 6.04 0.20 0.83 2.47 -1.26 -0.94 114.94 121.39 1fi8 s ASN 61 Ca 0.13 0.22 0.05 0.00 0.42 0.00 0.00 52.86 53.69 1fi8 s ASN 61 Cb -0.12 -2.03 -0.05 0.00 -1.45 0.00 0.00 41.25 37.61 1fi8 s ASN 61 CO 0.03 0.22 -0.08 -0.54 -3.72 0.00 0.00 177.10 173.01 1fi8 s LYS 62 N 0.10 1.26 -0.05 0.43 1.02 0.16 -5.00 119.74 117.65 1fi8 s LYS 62 Ca 0.08 -1.59 0.06 0.00 0.02 0.00 0.00 55.97 54.54 1fi8 s LYS 62 Cb -0.12 -0.79 -0.01 0.00 -0.52 0.00 0.00 37.83 36.39 1fi8 s LYS 62 CO -0.00 0.04 -0.25 0.99 -0.92 0.00 0.00 175.35 175.21 1fi8 s THR 63 N -3.24 2.04 -0.55 2.17 2.01 -1.26 -1.06 115.64 115.76 1fi8 s THR 63 Ca 0.23 -1.06 -0.27 0.00 0.31 0.00 0.00 61.69 60.89 1fi8 s THR 63 Cb 0.03 -1.73 -0.01 0.00 0.01 0.00 0.00 72.50 70.80 1fi8 s THR 63 CO 0.06 0.57 1.69 -0.22 -0.69 0.00 0.00 174.62 176.03 1fi8 s LEU 64 N -0.19 3.36 0.14 4.42 2.96 0.17 -4.92 118.68 124.62 1fi8 s LEU 64 Ca -0.03 0.48 -0.33 0.00 -0.22 0.00 0.00 54.13 54.04 1fi8 s LEU 64 Cb -0.13 -2.88 -0.17 0.00 0.50 0.00 0.00 46.19 43.50 1fi8 s LEU 64 CO 0.03 -2.03 0.91 -1.84 -1.32 0.00 0.00 176.35 172.11 1fi8 n GLU 65 N 8.89 0.46 0.00 1.98 0.28 -1.26 -0.82 120.64 130.17 1fi8 n GLU 65 Ca 0.18 0.17 0.00 0.00 -0.16 0.00 0.00 57.16 57.34 1fi8 n GLU 65 Cb 0.50 -1.49 0.00 0.00 1.43 0.00 0.00 31.44 31.88 1fi8 n GLU 65 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1fi8 n GLY 66 N 1.82 2.99 0.06 -1.84 0.00 -1.26 -4.79 105.19 102.17 1fi8 n GLY 66 Ca 0.17 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.13 1fi8 n GLY 66 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1fi8 n TRP 67 N -2.00 0.00 -1.64 1.61 7.02 -0.00 -5.01 117.44 117.41 1fi8 n TRP 67 Ca 0.00 0.00 -0.02 0.00 -1.02 0.00 0.00 57.50 56.46 1fi8 n TRP 67 Cb 0.00 -0.51 -0.00 0.00 -2.42 0.00 0.00 31.31 28.38 1fi8 n TRP 67 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1fi8 n GLY 68 N 2.51 0.38 3.48 6.99 0.00 -1.14 -5.02 105.19 112.39 1fi8 n GLY 68 Ca -0.19 -0.90 -0.34 0.00 0.00 0.00 0.00 46.02 44.59 1fi8 n GLY 68 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1fi8 s TYR 69 N -2.07 3.02 0.46 1.61 1.51 -1.26 -4.95 117.35 115.67 1fi8 s TYR 69 Ca 0.00 -0.35 -0.06 0.00 -1.01 0.00 0.00 57.07 55.65 1fi8 s TYR 69 Cb 0.00 -1.98 -0.04 0.00 -0.11 0.00 0.00 41.96 39.83 1fi8 s TYR 69 CO 0.00 -0.08 0.78 -0.51 -1.11 0.00 0.00 175.55 174.62 1fi8 s ASP 70 N 0.49 6.31 0.01 2.29 1.01 -1.26 0.44 116.67 125.96 1fi8 s ASP 70 Ca -0.03 0.96 -0.28 0.00 0.71 0.00 0.00 52.55 53.91 1fi8 s ASP 70 Cb -0.14 -2.26 0.08 0.00 1.01 0.00 0.00 42.92 41.61 1fi8 s ASP 70 CO 0.03 -0.54 0.71 -0.72 0.21 0.00 0.00 175.17 174.85 1fi8 s TYR 71 N -2.67 -0.56 0.15 4.23 -0.85 -0.22 -4.87 117.35 112.56 1fi8 s TYR 71 Ca 0.48 0.71 0.10 0.00 -0.52 0.00 0.00 57.07 57.85 1fi8 s TYR 71 Cb -0.10 0.48 -0.04 0.00 0.38 0.00 0.00 41.96 42.67 1fi8 s TYR 71 CO 0.42 -0.66 -0.23 0.71 -1.52 0.00 0.00 175.55 174.28 1fi8 s TYR 72 N -2.25 2.38 -0.11 -3.49 1.51 -1.26 -0.67 117.35 113.47 1fi8 s TYR 72 Ca -0.04 -0.34 0.01 0.00 -1.01 0.00 0.00 57.07 55.69 1fi8 s TYR 72 Cb -0.00 -1.25 0.02 0.00 -0.11 0.00 0.00 41.96 40.62 1fi8 s TYR 72 CO -0.01 0.41 -0.13 0.08 -1.11 0.00 0.00 175.55 174.79 1fi8 s VAL 73 N -1.29 1.32 -0.25 0.71 1.01 -0.12 -4.98 120.40 116.81 1fi8 s VAL 73 Ca 0.17 -0.52 -0.06 0.00 0.00 0.00 0.00 61.98 61.57 1fi8 s VAL 73 Cb -0.09 -1.24 -0.02 0.00 0.00 0.00 0.00 36.38 35.03 1fi8 s VAL 73 CO 0.09 0.41 0.04 0.12 0.00 0.00 0.00 175.10 175.75 1fi8 s PHE 74 N 1.19 3.06 0.00 5.22 5.36 -1.26 -0.79 117.98 130.75 1fi8 s PHE 74 Ca -0.03 -0.67 0.00 0.00 -0.96 0.00 0.00 56.93 55.27 1fi8 s PHE 74 Cb -0.14 -2.20 0.00 0.00 -0.34 0.00 0.00 43.02 40.34 1fi8 s PHE 74 CO -0.04 -0.45 0.00 -0.40 -1.46 0.00 0.00 175.22 172.87 1fi8 n ASP 75 N 4.88 0.00 -3.65 6.13 5.75 -1.17 -4.96 116.55 123.53 1fi8 n ASP 75 Ca -0.17 0.00 -0.27 0.00 -0.01 0.00 0.00 54.79 54.34 1fi8 n ASP 75 Cb 0.51 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.60 1fi8 n ASP 75 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1fi8 n LYS 76 N 0.00 -4.10 -3.04 0.11 5.02 -1.26 -2.50 118.16 112.39 1fi8 n LYS 76 Ca 0.00 0.53 -0.39 0.00 -2.02 0.00 0.00 58.31 56.43 1fi8 n LYS 76 Cb 0.00 -5.31 -0.06 0.00 -0.02 0.00 0.00 35.03 29.64 1fi8 n LYS 76 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1fi8 s VAL 77 N -3.11 4.44 0.00 -0.18 1.01 -1.26 -3.87 120.40 117.43 1fi8 s VAL 77 Ca 0.53 1.60 0.00 0.00 0.00 0.00 0.00 61.98 64.11 1fi8 s VAL 77 Cb -0.28 -4.08 0.00 0.00 0.00 0.00 0.00 36.38 32.02 1fi8 s VAL 77 CO 0.66 0.51 0.00 -0.24 0.00 0.00 0.00 175.10 176.02 1fi8 n SER 78 N 1.55 0.00 -4.64 3.32 2.88 -1.26 -4.96 113.62 110.50 1fi8 n SER 78 Ca -0.06 -0.51 -0.44 0.00 -1.33 0.00 0.00 58.87 56.53 1fi8 n SER 78 Cb 0.49 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 63.94 1fi8 n SER 78 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1fi8 n SER 79 N -1.43 2.01 -4.77 -3.46 7.64 -1.26 -4.47 113.62 107.89 1fi8 n SER 79 Ca 0.00 1.19 -0.40 0.00 1.01 0.00 0.00 58.87 60.67 1fi8 n SER 79 Cb 0.00 -1.38 -0.00 0.00 -1.01 0.00 0.00 64.21 61.82 1fi8 n SER 79 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 1fi8 s PRO 80 N -1.67 3.99 0.20 1.43 0.04 -1.26 -4.60 135.00 133.13 1fi8 s PRO 80 Ca 0.57 2.29 -0.30 0.00 0.04 0.00 0.00 61.00 63.61 1fi8 s PRO 80 Cb -0.64 -2.82 -0.08 0.00 0.04 0.00 0.00 34.50 31.00 1fi8 s PRO 80 CO 0.61 -0.52 1.10 0.42 0.04 0.00 0.00 177.00 178.65 1fi8 s ILE 81 N -1.21 3.78 -0.06 0.56 1.09 -0.08 -4.91 121.20 120.38 1fi8 s ILE 81 Ca 0.56 1.59 -0.02 0.00 -1.10 0.00 0.00 60.65 61.68 1fi8 s ILE 81 Cb -0.41 -4.01 0.04 0.00 -1.06 0.00 0.00 42.46 37.01 1fi8 s ILE 81 CO 0.53 0.30 0.12 -0.70 -0.10 0.00 0.00 174.94 175.09 1fi8 s GLU 82 N -0.61 0.05 0.28 2.79 2.12 -1.26 -2.35 118.70 119.72 1fi8 s GLU 82 Ca 0.48 0.35 -0.30 0.00 0.36 0.00 0.00 54.97 55.87 1fi8 s GLU 82 Cb -0.30 -0.22 -0.10 0.00 0.26 0.00 0.00 34.13 33.77 1fi8 s GLU 82 CO 0.36 -0.19 1.46 -1.25 -0.54 0.00 0.00 175.26 175.10 1fi8 s PRO 83 N 1.29 4.24 0.00 4.30 0.04 -1.26 -5.12 135.00 138.49 1fi8 s PRO 83 Ca -0.08 2.37 0.29 0.00 0.04 0.00 0.00 61.00 63.62 1fi8 s PRO 83 Cb -0.12 -3.08 1.74 0.00 0.04 0.00 0.00 34.50 33.08 1fi8 s PRO 83 CO -0.05 -0.45 2.08 -0.25 0.04 0.00 0.00 177.00 178.37