#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 -0.77 2.45 5.85 -2.02 -3.09 115.31 117.73 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 -0.27 -0.33 -0.34 0.00 0.00 178.44 177.50 1fi8 h GLU 8 N 0.00 0.00 0.00 1.25 4.39 -1.97 -2.59 114.58 115.66 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 0.70 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.35 1fi8 h GLU 8 CO 0.00 0.27 0.00 1.63 -1.16 0.00 0.00 179.01 179.75 1fi8 n LYS 9 N -3.33 0.10 -0.11 2.33 4.01 -1.17 -3.56 118.16 116.43 1fi8 n LYS 9 Ca 0.01 0.26 -0.18 0.00 -0.51 0.00 0.00 58.31 57.89 1fi8 n LYS 9 Cb 0.51 -1.67 -0.07 0.00 -0.51 0.00 0.00 35.03 33.30 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 -1.85 1.50 -3.66 -0.18 5.41 -1.00 -5.09 119.36 114.49 1fi8 n ILE 10 Ca 0.04 -0.06 -0.04 0.00 1.00 0.00 0.00 62.75 63.69 1fi8 n ILE 10 Cb 0.25 -2.14 -0.01 0.00 -0.71 0.00 0.00 39.64 37.03 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 -1.24 -1.39 0.00 -1.04 -5.06 121.76 108.59 1fi8 s ALA 11 Ca -0.30 0.53 -0.09 0.00 0.00 0.00 0.00 51.96 52.10 1fi8 s ALA 11 Cb 0.08 0.50 -0.12 0.00 0.00 0.00 0.00 23.12 23.58 1fi8 s ALA 11 CO 0.44 -0.92 3.10 -0.35 0.00 0.00 0.00 175.76 178.03 1fi8 n PRO 12 N -0.39 3.34 -1.84 0.00 -0.04 -1.26 -4.20 135.00 130.62 1fi8 n PRO 12 Ca -0.07 -1.98 -0.41 0.00 -0.04 0.00 0.00 63.50 61.00 1fi8 n PRO 12 Cb 0.61 -2.60 -0.01 0.00 -0.04 0.00 0.00 33.50 31.45 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 1.73 2.78 0.71 0.54 2.02 -1.26 -4.93 117.35 118.94 1fi8 s TYR 13 Ca 0.69 0.91 -0.16 0.00 -0.37 0.00 0.00 57.07 58.14 1fi8 s TYR 13 Cb 0.21 -4.00 0.03 0.00 -0.40 0.00 0.00 41.96 37.80 1fi8 s TYR 13 CO -0.05 -3.27 1.22 -1.25 -1.57 0.00 0.00 175.55 170.63 1fi8 s PRO 14 N -0.77 2.27 0.48 -1.71 0.04 -1.26 -5.00 135.00 129.05 1fi8 s PRO 14 Ca 0.60 1.81 -0.19 0.00 0.04 0.00 0.00 61.00 63.27 1fi8 s PRO 14 Cb -0.46 -1.84 -0.09 0.00 0.04 0.00 0.00 34.50 32.15 1fi8 s PRO 14 CO 0.50 -1.75 0.98 -0.65 0.04 0.00 0.00 177.00 176.12 1fi8 s GLN 15 N -3.78 3.99 0.38 4.56 -1.52 -1.26 -4.99 119.66 117.04 1fi8 s GLN 15 Ca 0.76 1.09 -0.27 0.00 -1.95 0.00 0.00 55.36 54.98 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 -0.24 1.39 0.00 -0.25 0.00 0.00 175.29 176.62 1fi8 s ALA 16 N -2.35 3.45 0.97 6.09 0.00 -1.26 -4.99 121.76 123.66 1fi8 s ALA 16 Ca 0.62 1.40 -0.14 0.00 0.00 0.00 0.00 51.96 53.83 1fi8 s ALA 16 Cb -0.11 -3.54 0.18 0.00 0.00 0.00 0.00 23.12 19.64 1fi8 s ALA 16 CO 0.23 -0.91 1.18 -1.21 0.00 0.00 0.00 175.76 175.05 1fi8 s GLU 17 N -2.08 0.64 -0.04 0.00 2.02 -1.26 -4.86 118.70 113.11 1fi8 s GLU 17 Ca 0.53 0.06 -0.33 0.00 0.02 0.00 0.00 54.97 55.25 1fi8 s GLU 17 Cb -0.42 -1.80 -0.11 0.00 0.10 0.00 0.00 34.13 31.89 1fi8 s GLU 17 CO 0.56 -2.49 1.88 0.36 0.02 0.00 0.00 175.26 175.59 1fi8 n LYS 18 N -3.92 2.32 -0.63 1.61 2.85 -1.26 -0.87 118.16 118.26 1fi8 n LYS 18 Ca 0.10 0.85 0.00 0.00 -1.05 0.00 0.00 58.31 58.21 1fi8 n LYS 18 Cb 0.59 -2.71 0.00 0.00 -0.65 0.00 0.00 35.03 32.26 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 4.37 0.77 3.73 2.58 0.00 -1.26 -5.04 105.19 110.34 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 -0.37 2.26 0.06 1.61 1.00 -0.05 -5.15 119.30 118.66 1fi8 s MET 20 Ca 0.00 -1.74 0.03 0.00 0.00 0.00 0.00 55.69 53.97 1fi8 s MET 20 Cb 0.00 -2.05 -0.03 0.00 0.00 0.00 0.00 34.83 32.75 1fi8 s MET 20 CO 0.00 -0.04 -0.08 0.21 0.00 0.00 0.00 175.02 175.11 1fi8 s LYS 21 N -3.88 0.64 -0.21 2.03 2.20 -1.26 -4.66 119.74 114.60 1fi8 s LYS 21 Ca 0.40 -0.91 0.02 0.00 -0.36 0.00 0.00 55.97 55.11 1fi8 s LYS 21 Cb 0.01 -0.36 0.04 0.00 -1.51 0.00 0.00 37.83 36.01 1fi8 s LYS 21 CO 0.23 0.06 -0.16 0.50 -0.36 0.00 0.00 175.35 175.61 1fi8 s ARG 22 N -2.09 2.63 0.07 4.03 3.52 -1.26 -4.91 118.95 120.94 1fi8 s ARG 22 Ca -0.04 -1.01 0.05 0.00 -0.13 0.00 0.00 55.73 54.61 1fi8 s ARG 22 Cb -0.07 -2.66 -0.04 0.00 -1.56 0.00 0.00 34.95 30.63 1fi8 s ARG 22 CO -0.00 -0.35 -0.06 -0.65 -0.81 0.00 0.00 175.30 173.42 1fi8 s GLN 23 N 1.24 2.39 -0.02 5.12 1.11 -1.26 -5.07 119.66 123.17 1fi8 s GLN 23 Ca -0.00 -0.87 0.04 0.00 0.01 0.00 0.00 55.36 54.54 1fi8 s GLN 23 Cb -0.16 -2.44 -0.01 0.00 -1.01 0.00 0.00 33.01 29.40 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 -1.17 1.07 -0.21 1.09 1.01 -1.26 -5.09 120.40 115.84 1fi8 s VAL 24 Ca 0.21 -0.56 -0.01 0.00 0.00 0.00 0.00 61.98 61.62 1fi8 s VAL 24 Cb -0.11 -0.90 0.01 0.00 0.00 0.00 0.00 36.38 35.38 1fi8 s VAL 24 CO 0.13 0.31 -0.12 -0.63 0.00 0.00 0.00 175.10 174.79 1fi8 s ILE 25 N -0.20 2.65 -0.41 2.22 1.01 -1.26 -5.08 121.20 120.13 1fi8 s ILE 25 Ca 0.03 -0.86 -0.04 0.00 0.00 0.00 0.00 60.65 59.78 1fi8 s ILE 25 Cb -0.06 -2.22 0.11 0.00 0.01 0.00 0.00 42.46 40.29 1fi8 s ILE 25 CO -0.00 0.40 0.21 -1.58 0.00 0.00 0.00 174.94 173.97 1fi8 s GLN 26 N 1.35 2.13 0.54 2.79 0.74 -1.26 -5.09 119.66 120.86 1fi8 s GLN 26 Ca 0.03 -1.75 -0.20 0.00 0.05 0.00 0.00 55.36 53.49 1fi8 s GLN 26 Cb -0.15 -3.61 -0.05 0.00 1.10 0.00 0.00 33.01 30.30 1fi8 s GLN 26 CO -0.08 -1.05 1.16 -0.51 -0.55 0.00 0.00 175.29 174.27 1fi8 s LEU 27 N 1.19 3.77 -0.00 3.68 1.43 -1.26 -4.99 118.68 122.50 1fi8 s LEU 27 Ca 0.07 2.27 -0.26 0.00 -1.03 0.00 0.00 54.13 55.18 1fi8 s LEU 27 Cb -0.23 -4.52 -0.04 0.00 0.03 0.00 0.00 46.19 41.42 1fi8 s LEU 27 CO -0.03 -1.28 0.81 0.42 0.23 0.00 0.00 176.35 176.49 1fi8 s THR 28 N -1.67 4.86 0.45 5.49 -4.23 -1.26 -5.00 115.64 114.28 1fi8 s THR 28 Ca 0.73 1.70 -0.24 0.00 -1.18 0.00 0.00 61.69 62.70 1fi8 s THR 28 Cb -0.27 -4.15 -0.09 0.00 1.34 0.00 0.00 72.50 69.33 1fi8 s THR 28 CO 0.30 0.27 1.18 -2.65 -0.54 0.00 0.00 174.62 173.18 1fi8 n PRO 29 N 3.41 1.64 -4.07 3.99 -0.02 -1.26 -5.02 135.00 133.67 1fi8 n PRO 29 Ca 0.00 0.59 -0.11 0.00 -2.02 0.00 0.00 63.50 61.97 1fi8 n PRO 29 Cb 0.51 -2.29 -0.11 0.00 -0.02 0.00 0.00 33.50 31.59 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 -2.28 0.56 0.10 -0.52 -1.52 -1.26 -5.07 119.66 109.67 1fi8 s GLN 30 Ca 0.64 -0.92 -0.27 0.00 -1.95 0.00 0.00 55.36 52.86 1fi8 s GLN 30 Cb -0.50 -0.11 -0.11 0.00 -0.22 0.00 0.00 33.01 32.07 1fi8 s GLN 30 CO 0.56 -0.01 1.65 1.05 -0.25 0.00 0.00 175.29 178.29 1fi8 h GLU 31 N 3.99 -0.45 -4.57 2.91 4.11 -2.07 -3.37 114.58 115.12 1fi8 h GLU 31 Ca -0.35 0.03 -0.67 0.00 0.07 0.00 0.00 59.36 58.44 1fi8 h GLU 31 Cb 1.19 0.10 -0.38 0.00 0.50 0.00 0.00 28.75 30.16 1fi8 h GLU 31 CO 0.50 -0.30 -0.66 0.34 0.07 0.00 0.00 179.01 178.96 1fi8 s ASP 32 N -4.80 4.92 0.00 3.06 2.15 -1.26 -4.94 116.67 115.79 1fi8 s ASP 32 Ca -0.16 -2.15 0.27 0.00 0.43 0.00 0.00 52.55 50.94 1fi8 s ASP 32 Cb 0.07 -1.70 0.89 0.00 -0.30 0.00 0.00 42.92 41.89 1fi8 s ASP 32 CO 0.65 -0.43 1.67 -0.62 -0.17 0.00 0.00 175.17 176.28 1fi8 n GLU 33 N 4.31 0.17 0.24 4.34 1.02 -1.26 -3.47 120.64 125.99 1fi8 n GLU 33 Ca 0.02 -0.07 0.13 0.00 -0.02 0.00 0.00 57.16 57.23 1fi8 n GLU 33 Cb 0.41 -1.50 0.47 0.00 -0.02 0.00 0.00 31.44 30.81 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 0.17 0.00 -0.37 1.62 4.64 -1.96 -2.63 113.55 115.01 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 0.47 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.56 1fi8 h SER 34 CO 0.00 0.09 0.00 0.35 -0.87 0.00 0.00 176.83 176.40 1fi8 n THR 35 N -3.18 1.48 -4.20 2.95 -2.24 -1.23 -4.90 114.28 102.95 1fi8 n THR 35 Ca 0.01 -0.81 -0.14 0.00 -2.27 0.00 0.00 64.05 60.84 1fi8 n THR 35 Cb 0.41 -0.23 -0.10 0.00 -2.10 0.00 0.00 70.33 68.31 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 -1.55 2.46 0.16 3.22 1.43 -0.99 -5.15 118.68 118.25 1fi8 s LEU 36 Ca 0.33 -0.89 -0.07 0.00 -1.03 0.00 0.00 54.13 52.46 1fi8 s LEU 36 Cb 0.24 -0.32 -0.02 0.00 0.03 0.00 0.00 46.19 46.12 1fi8 s LEU 36 CO 0.12 -0.29 0.23 -0.54 0.23 0.00 0.00 176.35 176.09 1fi8 s LYS 37 N -3.19 1.10 -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 -0.01 0.34 0.01 0.00 -0.52 0.00 0.00 37.83 37.66 1fi8 s LYS 37 CO -0.00 -0.39 -0.19 0.08 -0.92 0.00 0.00 175.35 173.94 1fi8 s VAL 38 N -3.99 1.70 -0.22 3.17 1.01 -1.26 -5.11 120.40 115.70 1fi8 s VAL 38 Ca 0.19 -0.79 -0.10 0.00 0.00 0.00 0.00 61.98 61.28 1fi8 s VAL 38 Cb 0.04 -1.51 -0.05 0.00 0.00 0.00 0.00 36.38 34.87 1fi8 s VAL 38 CO 0.01 0.48 0.14 -0.70 0.00 0.00 0.00 175.10 175.02 1fi8 s GLU 39 N 0.64 4.07 -0.02 2.72 2.12 -1.26 -5.07 118.70 121.90 1fi8 s GLU 39 Ca -0.13 -0.28 -0.22 0.00 0.36 0.00 0.00 54.97 54.70 1fi8 s GLU 39 Cb -0.16 -3.46 -0.05 0.00 0.26 0.00 0.00 34.13 30.72 1fi8 s GLU 39 CO 0.04 0.14 0.65 -0.51 -0.54 0.00 0.00 175.26 175.04 1fi8 s LEU 40 N 0.82 4.39 -0.44 2.70 1.43 -1.26 -5.03 118.68 121.30 1fi8 s LEU 40 Ca 0.07 1.21 0.00 0.00 -1.03 0.00 0.00 54.13 54.38 1fi8 s LEU 40 Cb -0.13 -3.02 0.12 0.00 0.03 0.00 0.00 46.19 43.19 1fi8 s LEU 40 CO 0.02 0.02 0.20 -0.76 0.23 0.00 0.00 176.35 176.07 1fi8 s LEU 41 N 0.14 4.98 -0.26 1.79 1.43 -1.26 -5.08 118.68 120.43 1fi8 s LEU 41 Ca 0.34 -2.33 -0.08 0.00 -1.03 0.00 0.00 54.13 51.04 1fi8 s LEU 41 Cb -0.18 -1.75 -0.03 0.00 0.03 0.00 0.00 46.19 44.26 1fi8 s LEU 41 CO 0.18 -0.43 0.08 -0.63 0.23 0.00 0.00 176.35 175.79 1fi8 s ILE 42 N 0.69 4.36 0.00 -0.59 1.01 -1.26 -5.04 121.20 120.37 1fi8 s ILE 42 Ca 0.12 -0.19 0.00 0.00 0.00 0.00 0.00 60.65 60.58 1fi8 s ILE 42 Cb -0.22 -3.06 0.00 0.00 0.01 0.00 0.00 42.46 39.19 1fi8 s ILE 42 CO -0.05 0.31 0.00 0.61 0.00 0.00 0.00 174.94 175.81 1fi8 n GLY 43 N 4.93 1.96 3.25 6.18 0.00 -1.26 -4.98 105.19 115.27 1fi8 n GLY 43 Ca -0.16 -0.63 -0.12 0.00 0.00 0.00 0.00 46.02 45.11 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 1.14 0.40 -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 0.09 -0.01 0.00 -1.09 0.00 0.00 33.01 32.00 1fi8 s GLN 44 CO 0.00 -0.10 1.58 0.99 -1.32 0.00 0.00 175.29 176.44 1fi8 s THR 45 N 0.76 3.73 0.26 3.63 2.01 -1.26 -4.98 115.64 119.79 1fi8 s THR 45 Ca -0.05 0.78 0.11 0.00 0.31 0.00 0.00 61.69 62.85 1fi8 s THR 45 Cb -0.06 -3.86 -0.05 0.00 0.01 0.00 0.00 72.50 68.55 1fi8 s THR 45 CO -0.05 -0.46 -0.19 -0.76 -0.69 0.00 0.00 174.62 172.47 1fi8 s LEU 46 N 5.64 2.58 -0.30 4.42 1.02 -1.26 -5.13 118.68 125.66 1fi8 s LEU 46 Ca 0.70 -1.02 -0.09 0.00 0.02 0.00 0.00 54.13 53.73 1fi8 s LEU 46 Cb -0.21 -1.00 -0.01 0.00 0.02 0.00 0.00 46.19 44.99 1fi8 s LEU 46 CO 0.31 -0.01 0.14 -1.83 0.02 0.00 0.00 176.35 174.98 1fi8 s GLU 47 N -3.51 3.44 0.28 1.70 1.03 -1.26 -5.06 118.70 115.32 1fi8 s GLU 47 Ca 0.28 -0.64 -0.15 0.00 0.03 0.00 0.00 54.97 54.49 1fi8 s GLU 47 Cb -0.04 -3.53 0.01 0.00 -0.80 0.00 0.00 34.13 29.77 1fi8 s GLU 47 CO 0.13 -0.36 0.58 0.54 -1.33 0.00 0.00 175.26 174.83 1fi8 s VAL 48 N 1.63 0.00 0.00 1.83 0.11 -1.26 -5.16 120.40 117.54 1fi8 s VAL 48 Ca 0.05 -1.26 0.00 0.00 -2.93 0.00 0.00 61.98 57.84 1fi8 s VAL 48 Cb -0.17 -2.25 0.00 0.00 -1.53 0.00 0.00 36.38 32.44 1fi8 s VAL 48 CO 0.06 0.00 0.00 -0.90 -3.33 0.00 0.00 175.10 170.93 1fi8 n ASP 49 N -0.60 0.00 -3.67 3.54 5.68 -1.26 -5.19 116.55 115.05 1fi8 n ASP 49 Ca -0.03 0.00 -0.19 0.00 -0.50 0.00 0.00 54.79 54.07 1fi8 n ASP 49 Cb 0.61 0.00 -0.17 0.00 -1.14 0.00 0.00 41.12 40.42 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 5.26 0.00 -3.90 0.00 4.77 -1.26 -5.19 117.00 116.69 1fi8 n LEU 52 Ca -0.04 0.00 -0.27 0.00 -0.03 0.00 0.00 56.01 55.66 1fi8 n LEU 52 Cb 0.50 0.00 -0.17 0.00 -2.33 0.00 0.00 43.42 41.42 1fi8 n LEU 52 CO 0.06 0.00 -0.43 -1.00 -1.33 0.00 0.00 177.39 174.69 1fi8 s HIS 53 N -2.00 1.57 -0.10 -1.77 3.76 -1.26 -4.26 115.29 111.21 1fi8 s HIS 53 Ca 0.00 -0.88 0.03 0.00 -0.15 0.00 0.00 55.06 54.06 1fi8 s HIS 53 Cb 0.00 -1.26 0.00 0.00 1.11 0.00 0.00 32.58 32.43 1fi8 s HIS 53 CO 0.00 -0.56 -0.21 1.03 -0.85 0.00 0.00 174.74 174.15 1fi8 s ARG 54 N 1.68 2.81 0.46 1.40 1.81 -1.03 -5.03 118.95 121.06 1fi8 s ARG 54 Ca 0.03 -0.79 -0.22 0.00 -1.72 0.00 0.00 55.73 53.03 1fi8 s ARG 54 Cb -0.14 -2.19 -0.08 0.00 -0.45 0.00 0.00 34.95 32.10 1fi8 s ARG 54 CO -0.08 0.10 1.10 -1.17 -0.68 0.00 0.00 175.30 174.57 1fi8 s LEU 55 N 0.53 3.98 0.65 2.53 2.96 -1.26 -0.94 118.68 127.12 1fi8 s LEU 55 Ca -0.15 2.12 0.03 0.00 -0.22 0.00 0.00 54.13 55.92 1fi8 s LEU 55 Cb -0.17 -4.34 0.10 0.00 0.50 0.00 0.00 46.19 42.28 1fi8 s LEU 55 CO 0.05 -0.80 0.89 -0.83 -1.32 0.00 0.00 176.35 174.34 1fi8 s GLY 56 N -1.62 1.76 0.00 7.98 0.00 -1.26 -4.80 107.32 109.39 1fi8 s GLY 56 Ca 0.64 -1.85 0.00 0.00 0.00 0.00 0.00 44.72 43.51 1fi8 s GLY 56 CO 0.28 -1.35 0.00 0.61 0.00 0.00 0.00 173.10 172.64 1fi8 n GLY 57 N -2.56 2.90 3.18 0.20 0.00 -1.26 -5.00 105.19 102.66 1fi8 n GLY 57 Ca 0.15 -1.97 -0.25 0.00 0.00 0.00 0.00 46.02 43.94 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 -2.90 1.41 -0.26 1.61 1.02 -1.03 -5.01 119.74 114.59 1fi8 s LYS 58 Ca 0.00 -0.68 -0.16 0.00 0.02 0.00 0.00 55.97 55.15 1fi8 s LYS 58 Cb 0.00 -1.39 -0.03 0.00 -0.52 0.00 0.00 37.83 35.89 1fi8 s LYS 58 CO 0.00 0.38 0.43 -1.17 -0.92 0.00 0.00 175.35 174.07 1fi8 s LEU 59 N -0.54 4.06 -0.10 3.17 2.96 -1.26 -3.02 118.68 123.95 1fi8 s LEU 59 Ca 0.07 0.42 -0.03 0.00 -0.22 0.00 0.00 54.13 54.37 1fi8 s LEU 59 Cb -0.07 -2.53 -0.03 0.00 0.50 0.00 0.00 46.19 44.05 1fi8 s LEU 59 CO -0.00 -0.21 0.02 -1.83 -1.32 0.00 0.00 176.35 173.01 1fi8 s GLU 60 N 2.05 3.10 -0.18 1.98 -1.05 0.00 -4.96 118.70 119.65 1fi8 s GLU 60 Ca 0.18 -0.38 -0.09 0.00 -0.15 0.00 0.00 54.97 54.54 1fi8 s GLU 60 Cb -0.16 -2.86 -0.05 0.00 -0.44 0.00 0.00 34.13 30.63 1fi8 s GLU 60 CO 0.09 0.68 0.12 1.21 0.95 0.00 0.00 175.26 178.31 1fi8 s ASN 61 N -0.80 6.13 0.19 0.83 2.47 -1.26 -0.88 114.94 121.62 1fi8 s ASN 61 Ca 0.12 0.26 0.05 0.00 0.42 0.00 0.00 52.86 53.71 1fi8 s ASN 61 Cb -0.12 -2.05 -0.05 0.00 -1.45 0.00 0.00 41.25 37.59 1fi8 s ASN 61 CO 0.02 0.24 -0.08 -0.54 -3.72 0.00 0.00 177.10 173.02 1fi8 s LYS 62 N 0.02 1.21 -0.06 0.43 1.02 0.17 -5.00 119.74 117.53 1fi8 s LYS 62 Ca 0.09 -1.55 0.06 0.00 0.02 0.00 0.00 55.97 54.58 1fi8 s LYS 62 Cb -0.11 -0.75 -0.01 0.00 -0.52 0.00 0.00 37.83 36.43 1fi8 s LYS 62 CO -0.00 0.05 -0.24 0.99 -0.92 0.00 0.00 175.35 175.23 1fi8 s THR 63 N -3.26 2.15 -0.55 2.17 2.01 -1.26 -1.03 115.64 115.87 1fi8 s THR 63 Ca 0.21 -1.04 -0.27 0.00 0.31 0.00 0.00 61.69 60.91 1fi8 s THR 63 Cb 0.03 -1.78 -0.01 0.00 0.01 0.00 0.00 72.50 70.75 1fi8 s THR 63 CO 0.04 0.57 1.68 -0.22 -0.69 0.00 0.00 174.62 176.01 1fi8 s LEU 64 N -0.20 3.36 0.13 4.42 2.96 0.17 -4.92 118.68 124.59 1fi8 s LEU 64 Ca -0.02 0.45 -0.33 0.00 -0.22 0.00 0.00 54.13 54.01 1fi8 s LEU 64 Cb -0.13 -2.86 -0.17 0.00 0.50 0.00 0.00 46.19 43.52 1fi8 s LEU 64 CO 0.03 -2.03 0.90 -1.84 -1.32 0.00 0.00 176.35 172.10 1fi8 n GLU 65 N 8.90 0.39 0.00 1.98 0.28 -1.26 -0.78 120.64 130.15 1fi8 n GLU 65 Ca 0.17 0.14 0.00 0.00 -0.16 0.00 0.00 57.16 57.31 1fi8 n GLU 65 Cb 0.50 -1.46 0.00 0.00 1.43 0.00 0.00 31.44 31.91 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 1.81 2.98 0.06 -1.84 0.00 -1.26 -4.78 105.19 102.16 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 0.04 -5.01 117.44 117.46 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 -0.52 -0.00 0.00 -2.42 0.00 0.00 31.31 28.37 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 2.47 0.39 3.50 6.99 0.00 -1.14 -5.02 105.19 112.37 1fi8 n GLY 68 Ca -0.19 -0.88 -0.34 0.00 0.00 0.00 0.00 46.02 44.61 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 -2.09 3.04 0.47 1.61 1.51 -1.26 -4.95 117.35 115.67 1fi8 s TYR 69 Ca 0.00 -0.31 -0.05 0.00 -1.01 0.00 0.00 57.07 55.69 1fi8 s TYR 69 Cb 0.00 -1.99 -0.04 0.00 -0.11 0.00 0.00 41.96 39.82 1fi8 s TYR 69 CO 0.00 -0.06 0.77 -0.51 -1.11 0.00 0.00 175.55 174.64 1fi8 s ASP 70 N 0.48 6.29 0.02 2.29 1.01 -1.26 0.41 116.67 125.91 1fi8 s ASP 70 Ca -0.03 0.92 -0.28 0.00 0.71 0.00 0.00 52.55 53.88 1fi8 s ASP 70 Cb -0.14 -2.24 0.08 0.00 1.01 0.00 0.00 42.92 41.62 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 -2.68 -0.55 0.16 4.23 -0.85 -0.19 -4.87 117.35 112.59 1fi8 s TYR 71 Ca 0.47 0.70 0.11 0.00 -0.52 0.00 0.00 57.07 57.83 1fi8 s TYR 71 Cb -0.10 0.48 -0.04 0.00 0.38 0.00 0.00 41.96 42.68 1fi8 s TYR 71 CO 0.43 -0.66 -0.23 0.71 -1.52 0.00 0.00 175.55 174.29 1fi8 s TYR 72 N -2.28 2.38 -0.10 -3.49 1.51 -1.26 -0.66 117.35 113.45 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 -0.01 -1.23 0.02 0.00 -0.11 0.00 0.00 41.96 40.64 1fi8 s TYR 72 CO -0.01 0.43 -0.12 0.08 -1.11 0.00 0.00 175.55 174.82 1fi8 s VAL 73 N -1.38 1.26 -0.24 0.71 1.01 -0.06 -4.98 120.40 116.72 1fi8 s VAL 73 Ca 0.18 -0.48 -0.06 0.00 0.00 0.00 0.00 61.98 61.62 1fi8 s VAL 73 Cb -0.09 -1.19 -0.02 0.00 0.00 0.00 0.00 36.38 35.08 1fi8 s VAL 73 CO 0.09 0.40 0.04 0.12 0.00 0.00 0.00 175.10 175.74 1fi8 s PHE 74 N 1.21 3.05 -0.14 5.22 5.36 -1.26 -0.82 117.98 130.60 1fi8 s PHE 74 Ca -0.03 -0.62 -0.07 0.00 -0.96 0.00 0.00 56.93 55.25 1fi8 s PHE 74 Cb -0.14 -2.20 0.06 0.00 -0.34 0.00 0.00 43.02 40.40 1fi8 s PHE 74 CO -0.04 -0.43 0.33 0.16 -1.46 0.00 0.00 175.22 173.78 1fi8 s ASP 75 N 1.57 -0.33 0.00 6.13 -4.77 -1.17 -5.01 116.67 113.09 1fi8 s ASP 75 Ca 0.06 0.72 0.00 0.00 -3.30 0.00 0.00 52.55 50.03 1fi8 s ASP 75 Cb -0.15 0.65 0.00 0.00 -1.09 0.00 0.00 42.92 42.33 1fi8 s ASP 75 CO 0.01 -0.19 0.00 -1.54 0.70 0.00 0.00 175.17 174.16 1fi8 n SER 78 N 4.40 0.00 -4.69 2.11 3.41 -1.26 -2.47 113.62 115.13 1fi8 n SER 78 Ca -0.22 0.00 -0.43 0.00 -0.26 0.00 0.00 58.87 57.95 1fi8 n SER 78 Cb 0.53 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.47 1fi8 n SER 78 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1fi8 n SER 79 N 0.00 2.76 -4.75 4.04 7.64 -1.26 -4.52 113.62 117.53 1fi8 n SER 79 Ca 0.00 1.18 -0.41 0.00 1.01 0.00 0.00 58.87 60.65 1fi8 n SER 79 Cb 0.00 -1.46 0.01 0.00 -1.01 0.00 0.00 64.21 61.75 1fi8 n SER 79 CO 0.00 0.00 0.00 -2.65 -3.01 0.00 0.00 175.04 169.38 1fi8 n PRO 80 N 1.27 2.32 -2.82 1.43 -0.02 -1.26 -4.59 135.00 131.32 1fi8 n PRO 80 Ca 0.08 0.82 -0.40 0.00 -2.02 0.00 0.00 63.50 61.98 1fi8 n PRO 80 Cb 0.34 -2.60 -0.06 0.00 -0.02 0.00 0.00 33.50 31.16 1fi8 n PRO 80 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1fi8 s ILE 81 N -1.17 4.18 -0.10 4.25 1.09 -0.12 -4.94 121.20 124.40 1fi8 s ILE 81 Ca 0.59 1.97 -0.07 0.00 -1.10 0.00 0.00 60.65 62.03 1fi8 s ILE 81 Cb -0.47 -4.27 0.04 0.00 -1.06 0.00 0.00 42.46 36.70 1fi8 s ILE 81 CO 0.60 0.50 0.25 -0.70 -0.10 0.00 0.00 174.94 175.49 1fi8 s GLU 82 N -1.13 0.25 0.46 2.79 2.12 -1.26 -2.46 118.70 119.48 1fi8 s GLU 82 Ca 0.39 0.46 -0.23 0.00 0.36 0.00 0.00 54.97 55.95 1fi8 s GLU 82 Cb -0.25 0.00 -0.07 0.00 0.26 0.00 0.00 34.13 34.07 1fi8 s GLU 82 CO 0.30 -0.10 1.23 -1.25 -0.54 0.00 0.00 175.26 174.90 1fi8 s PRO 83 N 0.75 3.68 0.00 4.30 0.04 -1.26 -5.12 135.00 137.40 1fi8 s PRO 83 Ca -0.05 1.94 0.29 0.00 0.04 0.00 0.00 61.00 63.22 1fi8 s PRO 83 Cb -0.06 -2.45 1.28 0.00 0.04 0.00 0.00 34.50 33.30 1fi8 s PRO 83 CO -0.05 -0.66 1.87 -0.25 0.04 0.00 0.00 177.00 177.96