#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2npb s ALA 2 N 0.00 2.87 -0.44 3.04 0.00 -1.26 -4.82 121.76 121.15 2npb s ALA 2 Ca 0.00 0.75 -0.27 0.00 0.00 0.00 0.00 51.96 52.44 2npb s ALA 2 Cb 0.00 -3.31 0.03 0.00 0.00 0.00 0.00 23.12 19.83 2npb s ALA 2 CO 0.00 -0.50 1.01 -1.17 0.00 0.00 0.00 175.76 175.10 2npb s LEU 3 N -3.36 3.87 -0.38 0.00 2.96 -0.80 -4.83 118.68 116.14 2npb s LEU 3 Ca 0.67 0.38 -0.24 0.00 -0.22 0.00 0.00 54.13 54.71 2npb s LEU 3 Cb -0.22 -3.35 0.01 0.00 0.50 0.00 0.00 46.19 43.13 2npb s LEU 3 CO 0.26 -1.08 0.86 0.00 -1.32 0.00 0.00 176.35 175.07 2npb s ALA 4 N 3.95 3.40 0.01 5.97 0.00 -1.26 -1.01 121.76 132.82 2npb s ALA 4 Ca 0.42 -0.59 0.09 0.00 0.00 0.00 0.00 51.96 51.87 2npb s ALA 4 Cb -0.09 -3.46 -0.02 0.00 0.00 0.00 0.00 23.12 19.54 2npb s ALA 4 CO 0.26 -1.59 -0.26 0.08 0.00 0.00 0.00 175.76 174.25 2npb s VAL 5 N 3.32 2.07 0.24 0.00 1.01 0.29 -0.79 120.40 126.54 2npb s VAL 5 Ca 0.35 -1.24 0.08 0.00 0.00 0.00 0.00 61.98 61.17 2npb s VAL 5 Cb -0.12 -1.75 -0.05 0.00 0.00 0.00 0.00 36.38 34.46 2npb s VAL 5 CO 0.19 0.46 -0.14 -0.60 0.00 0.00 0.00 175.10 175.01 2npb s ARG 6 N -0.93 1.47 -0.12 2.72 6.06 -0.26 -0.92 118.95 126.97 2npb s ARG 6 Ca 0.11 -1.68 -0.04 0.00 -2.50 0.00 0.00 55.73 51.62 2npb s ARG 6 Cb -0.10 -1.29 0.06 0.00 0.06 0.00 0.00 34.95 33.68 2npb s ARG 6 CO 0.01 0.18 0.13 0.08 -2.50 0.00 0.00 175.30 173.20 2npb s VAL 7 N -2.87 -0.20 -0.15 7.11 1.01 -0.95 -1.63 120.40 122.72 2npb s VAL 7 Ca 0.26 0.13 -0.26 0.00 0.00 0.00 0.00 61.98 62.10 2npb s VAL 7 Cb -0.01 -0.42 -0.01 0.00 0.00 0.00 0.00 36.38 35.94 2npb s VAL 7 CO 0.10 -0.04 0.87 -0.69 0.00 0.00 0.00 175.10 175.34 2npb s VAL 8 N 2.23 4.86 0.06 2.92 1.01 0.05 -0.27 120.40 131.27 2npb s VAL 8 Ca 0.04 1.73 -0.19 0.00 0.00 0.00 0.00 61.98 63.56 2npb s VAL 8 Cb -0.14 -4.18 0.04 0.00 0.00 0.00 0.00 36.38 32.10 2npb s VAL 8 CO -0.07 0.03 0.45 -0.47 0.00 0.00 0.00 175.10 175.04 2npb s TYR 9 N 2.05 -0.31 -0.41 5.22 5.04 -0.68 -0.79 117.35 127.48 2npb s TYR 9 Ca 0.41 0.25 -0.28 0.00 -2.44 0.00 0.00 57.07 55.01 2npb s TYR 9 Cb -0.17 0.27 -0.02 0.00 0.35 0.00 0.00 41.96 42.40 2npb s TYR 9 CO 0.14 -0.62 1.80 -1.54 -1.34 0.00 0.00 175.55 173.98 2npb s SER 10 N -2.15 5.74 0.00 4.32 1.04 -1.26 -4.33 113.70 117.07 2npb s SER 10 Ca -0.04 1.02 0.00 0.00 0.48 0.00 0.00 55.95 57.41 2npb s SER 10 Cb -0.00 -2.53 0.00 0.00 0.10 0.00 0.00 66.02 63.59 2npb s SER 10 CO -0.04 -1.88 0.43 0.61 0.98 0.00 0.00 173.24 173.34 2npb n GLY 11 N 5.48 0.00 0.19 7.32 0.00 -1.26 -4.26 105.19 112.66 2npb n GLY 11 Ca 0.22 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.38 2npb n GLY 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2npb h ALA 12 N 1.75 1.00 -2.45 4.61 0.00 -2.02 -3.33 119.26 118.83 2npb h ALA 12 Ca 0.00 0.00 -0.60 0.00 0.00 0.00 0.00 54.91 54.31 2npb h ALA 12 Cb 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 17.79 17.38 2npb h ALA 12 CO 0.00 0.00 -0.76 0.00 0.00 0.00 0.00 179.25 178.49 2npb n GLY 14 N 1.66 -0.43 0.17 0.00 0.00 -1.26 -4.91 105.19 100.41 2npb n GLY 14 Ca 0.25 0.18 -0.08 0.00 0.00 0.00 0.00 46.02 46.37 2npb n GLY 14 CO 0.00 0.00 0.00 0.10 0.00 0.00 0.00 173.32 173.42 2npb h TYR 15 N -2.10 0.50 -0.46 1.61 -0.00 -1.91 -3.33 116.97 111.26 2npb h TYR 15 Ca -0.59 0.00 0.06 0.00 -0.00 0.00 0.00 58.73 58.21 2npb h TYR 15 Cb 1.37 -0.17 -0.09 0.00 -0.00 0.00 0.00 36.73 37.84 2npb h TYR 15 CO 0.52 0.34 -0.52 0.87 -0.00 0.00 0.00 178.16 179.37 2npb h LYS 16 N 0.51 -0.33 0.00 0.10 1.79 -1.91 0.12 116.57 116.86 2npb h LYS 16 Ca 0.14 0.02 -0.07 0.00 -2.18 0.00 0.00 60.65 58.56 2npb h LYS 16 Cb -0.03 0.08 -0.01 0.00 -1.58 0.00 0.00 32.23 30.69 2npb h LYS 16 CO -0.03 -0.22 -0.35 -1.00 -1.08 0.00 0.00 179.45 176.77 2npb h PRO 17 N -0.34 0.00 -0.27 3.15 0.13 -1.99 -0.42 132.00 132.25 2npb h PRO 17 Ca 0.10 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 65.16 2npb h PRO 17 Cb 0.58 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.71 2npb h PRO 17 CO -0.63 0.35 -0.10 0.87 -0.23 0.00 0.00 178.00 178.26 2npb h LYS 18 N 0.00 0.55 0.16 0.86 1.57 -1.36 -0.31 116.57 118.05 2npb h LYS 18 Ca -0.00 -0.23 0.00 0.00 -1.87 0.00 0.00 60.65 58.55 2npb h LYS 18 Cb 0.62 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.90 2npb h LYS 18 CO 0.05 0.78 -0.17 1.88 -0.57 0.00 0.00 179.45 181.42 2npb h TYR 19 N 0.30 -0.44 -0.84 -1.35 -1.99 -0.69 -3.16 116.97 108.81 2npb h TYR 19 Ca 0.06 0.00 0.03 0.00 2.00 0.00 0.00 58.73 60.83 2npb h TYR 19 Cb 0.60 0.17 -0.05 0.00 2.00 0.00 0.00 36.73 39.46 2npb h TYR 19 CO 0.06 -0.25 0.55 -0.07 -0.00 0.00 0.00 178.16 178.44 2npb h LEU 20 N -0.36 0.90 -0.12 3.88 3.38 -0.98 -0.25 115.31 121.76 2npb h LEU 20 Ca 0.00 -0.01 0.04 0.00 0.09 0.00 0.00 57.88 58.00 2npb h LEU 20 Cb 0.35 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 40.84 2npb h LEU 20 CO -0.05 0.63 -0.14 -0.61 0.09 0.00 0.00 178.44 178.36 2npb h GLN 21 N 1.05 -0.17 0.03 1.13 -0.00 -1.01 0.43 115.11 116.57 2npb h GLN 21 Ca 0.33 0.01 -0.00 0.00 -0.00 0.00 0.00 58.65 58.99 2npb h GLN 21 Cb 0.00 0.04 0.00 0.00 0.00 0.00 0.00 27.48 27.52 2npb h GLN 21 CO -0.09 -0.11 -0.01 1.25 0.00 0.00 0.00 178.83 179.86 2npb h LEU 22 N -0.18 -0.04 -0.07 -2.39 5.85 -1.56 -3.23 115.31 113.70 2npb h LEU 22 Ca 0.09 -0.08 -0.01 0.00 0.84 0.00 0.00 57.88 58.72 2npb h LEU 22 Cb 0.31 0.01 -0.00 0.00 0.37 0.00 0.00 40.66 41.34 2npb h LEU 22 CO -0.22 0.06 0.03 0.50 -0.34 0.00 0.00 178.44 178.46 2npb h LYS 23 N -0.13 0.11 -0.90 1.25 3.11 -0.18 -2.26 116.57 117.58 2npb h LYS 23 Ca -0.00 -0.02 0.24 0.00 -2.81 0.00 0.00 60.65 58.06 2npb h LYS 23 Cb 0.11 -0.02 -0.16 0.00 -1.00 0.00 0.00 32.23 31.17 2npb h LYS 23 CO 0.01 0.26 0.13 1.49 -2.81 0.00 0.00 179.45 178.52 2npb h GLU 24 N -0.05 0.10 0.21 1.90 4.81 -0.31 -0.52 114.58 120.72 2npb h GLU 24 Ca 0.02 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.24 2npb h GLU 24 Cb 0.19 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.55 2npb h GLU 24 CO -0.00 0.07 -0.10 0.87 -0.73 0.00 0.00 179.01 179.12 2npb h LYS 25 N 0.11 -0.27 -0.15 1.92 6.56 -1.43 0.98 116.57 124.29 2npb h LYS 25 Ca 0.55 0.02 0.05 0.00 -1.06 0.00 0.00 60.65 60.21 2npb h LYS 25 Cb 1.13 0.06 -0.05 0.00 -0.57 0.00 0.00 32.23 32.80 2npb h LYS 25 CO -0.76 -0.00 -0.18 -0.07 -2.06 0.00 0.00 179.45 176.37 2npb h LEU 26 N -0.52 -0.58 -1.14 2.94 -0.00 -1.03 0.17 115.31 115.14 2npb h LEU 26 Ca -0.03 0.10 -0.09 0.00 -0.00 0.00 0.00 57.88 57.87 2npb h LEU 26 Cb 0.39 0.27 -0.01 0.00 -0.00 0.00 0.00 40.66 41.31 2npb h LEU 26 CO 0.05 -0.23 -0.42 -0.33 -0.00 0.00 0.00 178.44 177.51 2npb h GLU 27 N -0.22 0.00 -0.47 1.13 5.08 -1.19 -1.46 114.58 117.45 2npb h GLU 27 Ca 0.10 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.42 2npb h GLU 27 Cb 0.38 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.61 2npb h GLU 27 CO -0.28 0.42 0.11 1.25 -1.00 0.00 0.00 179.01 179.51 2npb h HIS 28 N 0.00 0.79 -0.18 4.33 2.76 -0.15 -2.70 115.15 119.99 2npb h HIS 28 Ca -0.00 -0.09 -0.17 0.00 -2.20 0.00 0.00 60.37 57.90 2npb h HIS 28 Cb 0.77 -0.22 -0.00 0.00 1.55 0.00 0.00 27.41 29.50 2npb h HIS 28 CO 0.00 0.72 -0.60 0.93 -1.30 0.00 0.00 177.93 177.68 2npb h GLU 29 N 0.63 0.61 -1.22 5.26 3.07 -0.55 -3.38 114.58 119.00 2npb h GLU 29 Ca 0.15 -0.41 -0.46 0.00 -0.50 0.00 0.00 59.36 58.13 2npb h GLU 29 Cb 0.33 0.06 -0.41 0.00 -0.84 0.00 0.00 28.75 27.88 2npb h GLU 29 CO 0.00 1.03 -0.98 1.19 -1.40 0.00 0.00 179.01 178.85 2npb n PHE 30 N -3.95 2.19 -1.85 4.33 3.72 -0.56 -5.09 117.46 116.25 2npb n PHE 30 Ca -0.04 -2.92 -0.42 0.00 -0.05 0.00 0.00 57.45 54.02 2npb n PHE 30 Cb 0.64 -0.24 -0.03 0.00 -0.94 0.00 0.00 39.48 38.91 2npb n PHE 30 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 2npb s PRO 31 N -3.33 4.18 0.00 -1.08 0.04 -1.02 -1.77 135.00 132.02 2npb s PRO 31 Ca 0.37 2.44 0.00 0.00 0.04 0.00 0.00 61.00 63.84 2npb s PRO 31 Cb 0.43 -3.47 0.00 0.00 0.04 0.00 0.00 34.50 31.50 2npb s PRO 31 CO -0.06 -0.74 0.00 0.41 0.04 0.00 0.00 177.00 176.64 2npb n GLY 32 N 4.02 0.00 0.07 0.56 0.00 -1.26 -4.68 105.19 103.90 2npb n GLY 32 Ca 0.16 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.31 2npb n GLY 32 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2npb s LEU 34 N -4.01 2.44 -0.03 0.00 1.02 -1.05 -1.91 118.68 115.14 2npb s LEU 34 Ca 0.12 -1.06 0.04 0.00 0.02 0.00 0.00 54.13 53.25 2npb s LEU 34 Cb 0.15 -0.29 -0.00 0.00 0.02 0.00 0.00 46.19 46.07 2npb s LEU 34 CO 0.57 -0.39 -0.14 -0.62 0.02 0.00 0.00 176.35 175.79 2npb s ASP 35 N -3.18 1.75 -0.09 2.29 2.15 -0.18 -4.83 116.67 114.58 2npb s ASP 35 Ca 0.19 -0.28 -0.02 0.00 0.43 0.00 0.00 52.55 52.87 2npb s ASP 35 Cb 0.04 -0.37 0.04 0.00 -0.30 0.00 0.00 42.92 42.32 2npb s ASP 35 CO 0.02 0.14 0.04 -0.63 -0.17 0.00 0.00 175.17 174.57 2npb s ILE 36 N -0.06 0.15 0.51 4.11 1.09 -1.26 -0.55 121.20 125.18 2npb s ILE 36 Ca -0.00 0.12 0.05 0.00 -1.10 0.00 0.00 60.65 59.71 2npb s ILE 36 Cb -0.09 -0.46 0.01 0.00 -1.06 0.00 0.00 42.46 40.87 2npb s ILE 36 CO 0.01 0.10 0.25 0.00 -0.10 0.00 0.00 174.94 175.19 2npb s GLY 38 N -4.09 2.26 -0.20 0.00 0.00 -1.26 -2.25 107.32 101.77 2npb s GLY 38 Ca 0.28 -1.64 -0.19 0.00 0.00 0.00 0.00 44.72 43.17 2npb s GLY 38 CO 0.16 -1.67 0.54 1.85 0.00 0.00 0.00 173.10 173.98 2npb s GLU 39 N -3.76 0.63 -0.44 2.90 2.56 0.63 -4.79 118.70 116.43 2npb s GLU 39 Ca 0.32 0.75 0.08 0.00 0.00 0.00 0.00 54.97 56.12 2npb s GLU 39 Cb 0.04 0.30 0.32 0.00 2.00 0.00 0.00 34.13 36.79 2npb s GLU 39 CO 0.17 -0.08 0.98 0.41 -0.56 0.00 0.00 175.26 176.18 2npb n GLY 40 N 2.81 1.43 3.69 -1.50 0.00 -1.26 -1.68 105.19 108.68 2npb n GLY 40 Ca -0.14 -0.48 -0.51 0.00 0.00 0.00 0.00 46.02 44.89 2npb n GLY 40 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2npb n THR 41 N 0.49 0.45 -1.00 2.61 5.66 -1.26 -4.85 114.28 116.38 2npb n THR 41 Ca 0.12 -0.08 -0.22 0.00 -3.05 0.00 0.00 64.05 60.81 2npb n THR 41 Cb 0.68 -1.61 -0.08 0.00 -1.55 0.00 0.00 70.33 67.76 2npb n THR 41 CO 0.00 0.00 0.00 -0.81 -3.05 0.00 0.00 175.07 171.21 2npb n PRO 42 N 5.97 2.48 0.07 1.09 -0.04 -1.26 -3.51 135.00 139.80 2npb n PRO 42 Ca 0.24 -1.43 0.00 0.00 -0.04 0.00 0.00 63.50 62.27 2npb n PRO 42 Cb 0.24 -2.32 0.00 0.00 -0.04 0.00 0.00 33.50 31.37 2npb n PRO 42 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 2npb n GLN 43 N 3.20 0.00 0.00 0.54 1.13 -1.26 -5.09 117.38 115.90 2npb n GLN 43 Ca 0.53 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.59 2npb n GLN 43 Cb 0.48 -0.08 0.00 0.00 0.11 0.00 0.00 30.24 30.75 2npb n GLN 43 CO 0.00 0.00 0.00 0.28 -1.44 0.00 0.00 177.06 175.90 2npb n VAL 44 N -3.08 0.00 0.00 5.09 0.31 -1.23 -5.11 118.33 114.31 2npb n VAL 44 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 2npb n VAL 44 Cb 0.04 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.97 2npb n VAL 44 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 2npb n THR 45 N -2.06 0.00 0.00 2.52 -2.24 -1.26 -4.86 114.28 106.38 2npb n THR 45 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 2npb n THR 45 Cb 0.00 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 2npb n THR 45 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2npb n GLY 46 N 0.00 0.73 3.65 3.38 0.00 -1.26 -4.87 105.19 106.82 2npb n GLY 46 Ca 0.00 -0.01 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 2npb n GLY 46 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2npb n PHE 47 N 0.00 1.02 -3.97 1.61 3.72 -1.26 -4.55 117.46 114.02 2npb n PHE 47 Ca 0.00 0.40 -0.31 0.00 -0.05 0.00 0.00 57.45 57.49 2npb n PHE 47 Cb 0.00 -2.13 -0.15 0.00 -0.94 0.00 0.00 39.48 36.26 2npb n PHE 47 CO 0.00 0.00 0.00 0.12 -0.05 0.00 0.00 176.76 176.83 2npb s PHE 48 N -1.76 3.21 -0.05 1.38 2.19 -1.26 -4.00 117.98 117.70 2npb s PHE 48 Ca 0.75 -2.56 0.03 0.00 0.33 0.00 0.00 56.93 55.48 2npb s PHE 48 Cb -0.35 -2.43 0.01 0.00 -1.31 0.00 0.00 43.02 38.94 2npb s PHE 48 CO 0.48 -0.91 -0.12 -1.21 1.83 0.00 0.00 175.22 175.29 2npb s GLU 49 N 1.10 1.49 -0.11 10.12 0.41 0.03 -0.98 118.70 130.77 2npb s GLU 49 Ca 0.06 -0.41 0.03 0.00 -0.41 0.00 0.00 54.97 54.24 2npb s GLU 49 Cb -0.19 -1.28 0.01 0.00 -1.78 0.00 0.00 34.13 30.89 2npb s GLU 49 CO -0.10 0.08 -0.20 0.08 -0.49 0.00 0.00 175.26 174.63 2npb s VAL 50 N 0.46 1.86 -0.11 2.63 1.01 -0.14 -0.77 120.40 125.33 2npb s VAL 50 Ca -0.10 -0.88 0.02 0.00 0.00 0.00 0.00 61.98 61.03 2npb s VAL 50 Cb -0.13 -1.64 0.01 0.00 0.00 0.00 0.00 36.38 34.62 2npb s VAL 50 CO 0.02 0.51 -0.18 -0.89 0.00 0.00 0.00 175.10 174.57 2npb s THR 51 N 0.69 1.70 -0.15 3.92 2.01 -0.65 -0.95 115.64 122.21 2npb s THR 51 Ca -0.11 -0.77 -0.00 0.00 0.31 0.00 0.00 61.69 61.11 2npb s THR 51 Cb -0.16 -1.52 -0.01 0.00 0.01 0.00 0.00 72.50 70.82 2npb s THR 51 CO 0.02 0.48 -0.13 0.54 -0.69 0.00 0.00 174.62 174.84 2npb s VAL 52 N 0.83 2.95 -0.80 3.82 0.11 0.11 -1.10 120.40 126.33 2npb s VAL 52 Ca -0.09 -0.68 -0.06 0.00 -2.93 0.00 0.00 61.98 58.22 2npb s VAL 52 Cb -0.16 -2.26 0.06 0.00 -1.53 0.00 0.00 36.38 32.50 2npb s VAL 52 CO 0.00 0.51 0.22 0.00 -3.33 0.00 0.00 175.10 172.50 2npb n ALA 53 N 3.86 -1.01 -1.15 1.54 0.00 0.03 -0.21 120.51 123.57 2npb n ALA 53 Ca -0.18 -0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.26 2npb n ALA 53 Cb 0.52 -1.54 0.00 0.00 0.00 0.00 0.00 19.45 18.43 2npb n ALA 53 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2npb n GLY 54 N -0.80 0.44 2.97 0.00 0.00 -1.26 -5.06 105.19 101.47 2npb n GLY 54 Ca -0.01 -0.98 -0.30 0.00 0.00 0.00 0.00 46.02 44.74 2npb n GLY 54 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2npb s LYS 55 N -2.32 1.87 0.07 1.61 -0.14 0.71 -5.12 119.74 116.43 2npb s LYS 55 Ca 0.00 -0.77 -0.31 0.00 -1.36 0.00 0.00 55.97 53.53 2npb s LYS 55 Cb 0.00 -2.32 -0.07 0.00 -1.68 0.00 0.00 37.83 33.76 2npb s LYS 55 CO 0.00 -0.44 1.35 -1.17 -0.76 0.00 0.00 175.35 174.33 2npb s LEU 56 N 1.45 4.36 0.00 3.17 0.20 -1.26 -0.71 118.68 125.89 2npb s LEU 56 Ca -0.01 2.20 0.00 0.00 0.69 0.00 0.00 54.13 57.01 2npb s LEU 56 Cb -0.16 -3.58 0.00 0.00 -0.43 0.00 0.00 46.19 42.02 2npb s LEU 56 CO -0.08 -0.63 0.00 0.52 -0.29 0.00 0.00 176.35 175.87 2npb n VAL 57 N 4.13 0.00 -4.12 1.68 0.31 -0.12 -4.98 118.33 115.23 2npb n VAL 57 Ca 0.11 -0.02 -0.15 0.00 -0.01 0.00 0.00 64.34 64.27 2npb n VAL 57 Cb 0.44 0.51 -0.12 0.00 -0.91 0.00 0.00 33.84 33.75 2npb n VAL 57 CO 0.00 0.00 0.00 -2.28 -1.32 0.00 0.00 176.83 173.23 2npb s HIS 58 N -1.89 0.73 -0.29 3.52 5.65 -1.14 -4.97 115.29 116.90 2npb s HIS 58 Ca 0.00 -0.40 -0.02 0.00 0.25 0.00 0.00 55.06 54.89 2npb s HIS 58 Cb 0.00 -0.44 0.17 0.00 -1.18 0.00 0.00 32.58 31.13 2npb s HIS 58 CO 0.00 -0.05 0.55 0.45 -0.65 0.00 0.00 174.74 175.05 2npb s SER 59 N -1.25 -1.01 0.52 9.88 0.15 -1.25 -0.97 113.70 119.77 2npb s SER 59 Ca -0.06 0.82 0.23 0.00 0.70 0.00 0.00 55.95 57.64 2npb s SER 59 Cb -0.08 1.95 1.42 0.00 -1.71 0.00 0.00 66.02 67.60 2npb s SER 59 CO 0.01 -0.26 2.12 0.11 1.20 0.00 0.00 173.24 176.41 2npb h LYS 60 N 8.04 0.00 -0.66 5.44 1.79 -1.40 -1.48 116.57 128.30 2npb h LYS 60 Ca -0.22 0.00 -0.08 0.00 -2.18 0.00 0.00 60.65 58.18 2npb h LYS 60 Cb 1.15 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 31.78 2npb h LYS 60 CO 0.24 0.09 0.11 -0.22 -1.08 0.00 0.00 179.45 178.59 2npb h LYS 61 N 0.00 1.09 0.00 3.15 3.11 -1.95 -2.86 116.57 119.12 2npb h LYS 61 Ca -0.00 -0.29 -0.04 0.00 -2.81 0.00 0.00 60.65 57.51 2npb h LYS 61 Cb 0.19 -0.13 -0.01 0.00 -1.00 0.00 0.00 32.23 31.28 2npb h LYS 61 CO 0.01 1.00 -0.17 0.07 -2.81 0.00 0.00 179.45 177.55 2npb h ARG 62 N 1.01 0.00 -0.07 1.90 0.11 -1.93 -3.47 114.38 111.93 2npb h ARG 62 Ca 0.20 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.28 2npb h ARG 62 Cb 0.43 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.51 2npb h ARG 62 CO 0.01 0.17 0.00 0.41 0.10 0.00 0.00 179.97 180.67 2npb n GLY 63 N 0.14 1.22 0.16 0.08 0.00 -1.08 -5.02 105.19 100.69 2npb n GLY 63 Ca 0.00 -0.38 -0.09 0.00 0.00 0.00 0.00 46.02 45.55 2npb n GLY 63 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 2npb h ASP 64 N 0.00 0.40 -4.00 1.61 3.58 -1.51 -3.50 116.42 113.01 2npb h ASP 64 Ca 0.00 -0.06 0.00 0.00 0.42 0.00 0.00 57.03 57.39 2npb h ASP 64 Cb 0.45 -0.10 0.00 0.00 1.72 0.00 0.00 39.33 41.40 2npb h ASP 64 CO 0.00 0.35 -0.00 0.61 -2.88 0.00 0.00 179.24 177.31 2npb n GLY 65 N -1.05 -2.85 0.00 -0.78 0.00 -1.26 -5.03 105.19 94.22 2npb n GLY 65 Ca -0.01 -1.26 0.00 0.00 0.00 0.00 0.00 46.02 44.75 2npb n GLY 65 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2npb n TYR 66 N -1.37 -0.30 -0.09 1.61 4.01 -1.26 -4.73 117.16 115.03 2npb n TYR 66 Ca 0.00 0.00 -0.01 0.00 -0.16 0.00 0.00 57.90 57.73 2npb n TYR 66 Cb 0.00 0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 39.02 2npb n TYR 66 CO 0.00 0.00 0.00 1.33 -0.46 0.00 0.00 176.86 177.73 2npb n VAL 67 N -0.30 0.31 0.46 -0.72 0.24 -1.26 -4.47 118.33 112.58 2npb n VAL 67 Ca 0.00 -0.11 0.04 0.00 -2.04 0.00 0.00 64.34 62.23 2npb n VAL 67 Cb 0.00 -1.23 0.22 0.00 -1.47 0.00 0.00 33.84 31.36 2npb n VAL 67 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 2npb n ASP 68 N 2.25 0.00 -3.82 -1.34 8.00 -1.26 -4.64 116.55 115.74 2npb n ASP 68 Ca 0.02 -0.21 -0.08 0.00 0.71 0.00 0.00 54.79 55.23 2npb n ASP 68 Cb 0.08 -0.02 -0.03 0.00 -0.02 0.00 0.00 41.12 41.14 2npb n ASP 68 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 2npb s THR 69 N -2.04 0.00 0.10 -3.53 2.01 -1.26 -4.98 115.64 105.95 2npb s THR 69 Ca 0.11 -0.94 -0.26 0.00 0.31 0.00 0.00 61.69 60.91 2npb s THR 69 Cb 0.05 -1.88 -0.10 0.00 0.01 0.00 0.00 72.50 70.58 2npb s THR 69 CO 0.09 -0.01 1.66 -0.08 -0.69 0.00 0.00 174.62 175.59 2npb h GLU 70 N 2.06 -0.38 -0.91 4.92 4.22 -1.98 -1.97 114.58 120.53 2npb h GLU 70 Ca -0.23 0.03 0.13 0.00 0.08 0.00 0.00 59.36 59.37 2npb h GLU 70 Cb 1.26 0.09 -0.07 0.00 0.50 0.00 0.00 28.75 30.52 2npb h GLU 70 CO 0.28 -0.26 0.59 1.03 -2.18 0.00 0.00 179.01 178.47 2npb h SER 71 N -0.40 0.73 0.70 1.04 0.87 -1.96 0.19 113.55 114.72 2npb h SER 71 Ca 0.01 0.04 -0.12 0.00 -1.23 0.00 0.00 61.79 60.49 2npb h SER 71 Cb 0.40 -0.11 -0.02 0.00 -0.44 0.00 0.00 62.40 62.24 2npb h SER 71 CO -0.08 0.38 -0.58 0.11 -0.53 0.00 0.00 176.83 176.13 2npb h LYS 72 N 0.78 0.00 0.41 2.24 1.79 -1.78 0.53 116.57 120.54 2npb h LYS 72 Ca 0.45 0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 58.90 2npb h LYS 72 Cb 0.63 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.29 2npb h LYS 72 CO -0.22 0.58 -0.20 0.35 -1.08 0.00 0.00 179.45 178.89 2npb h PHE 73 N 0.00 -0.51 -0.69 -1.35 3.57 -0.57 -3.40 116.94 113.99 2npb h PHE 73 Ca -0.01 -0.01 0.20 0.00 3.53 0.00 0.00 57.97 61.68 2npb h PHE 73 Cb 1.09 0.17 -0.03 0.00 2.79 0.00 0.00 35.95 39.97 2npb h PHE 73 CO 0.00 -0.32 0.50 -0.09 -2.23 0.00 0.00 178.31 176.17 2npb h ARG 74 N -1.06 0.00 -0.57 1.11 2.43 -0.39 0.16 114.38 116.08 2npb h ARG 74 Ca -0.06 0.00 0.01 0.00 -0.81 0.00 0.00 59.98 59.13 2npb h ARG 74 Cb 0.42 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 29.94 2npb h ARG 74 CO 0.09 0.00 0.37 1.57 -1.51 0.00 0.00 179.97 180.50 2npb h LYS 75 N 0.00 0.71 0.01 0.20 5.09 -1.11 0.46 116.57 121.93 2npb h LYS 75 Ca 0.33 -0.04 -0.01 0.00 0.09 0.00 0.00 60.65 61.01 2npb h LYS 75 Cb 1.32 -0.16 0.00 0.00 0.10 0.00 0.00 32.23 33.49 2npb h LYS 75 CO -0.00 0.47 -0.04 1.25 -2.09 0.00 0.00 179.45 179.04 2npb h LEU 76 N 0.73 0.02 -0.65 7.07 6.46 -0.91 -2.98 115.31 125.06 2npb h LEU 76 Ca 0.21 -1.00 0.10 0.00 -0.12 0.00 0.00 57.88 57.07 2npb h LEU 76 Cb -0.04 -0.01 -0.07 0.00 -0.73 0.00 0.00 40.66 39.81 2npb h LEU 76 CO -0.05 1.02 0.27 0.58 -0.62 0.00 0.00 178.44 179.64 2npb h VAL 77 N -0.97 0.78 -0.53 1.05 2.07 -1.24 0.13 116.25 117.54 2npb h VAL 77 Ca -0.01 -0.16 -0.11 0.00 0.82 0.00 0.00 66.70 67.24 2npb h VAL 77 Cb 1.03 0.28 -0.02 0.00 -1.52 0.00 0.00 31.29 31.06 2npb h VAL 77 CO 0.01 0.09 -0.12 0.74 0.02 0.00 0.00 177.57 178.30 2npb h THR 78 N 0.47 1.27 0.02 2.57 2.02 -1.05 -1.74 112.91 116.46 2npb h THR 78 Ca 0.33 -1.27 -0.21 0.00 0.77 0.00 0.00 66.41 66.03 2npb h THR 78 Cb 0.40 0.98 -0.02 0.00 -1.74 0.00 0.00 68.15 67.76 2npb h THR 78 CO -0.30 0.45 -0.96 0.00 0.37 0.00 0.00 175.52 175.08 2npb h ALA 79 N 0.96 0.43 -0.05 6.16 0.00 -1.07 -2.08 119.26 123.61 2npb h ALA 79 Ca 0.14 -0.82 -0.19 0.00 0.00 0.00 0.00 54.91 54.04 2npb h ALA 79 Cb 0.68 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 2npb h ALA 79 CO 0.05 1.07 -0.77 0.82 0.00 0.00 0.00 179.25 180.41 2npb h ILE 80 N 0.04 1.40 -0.34 0.00 1.08 -0.78 -1.23 117.51 117.69 2npb h ILE 80 Ca -0.04 -2.25 -0.07 0.00 -0.39 0.00 0.00 64.86 62.12 2npb h ILE 80 Cb 1.65 2.20 -0.01 0.00 -3.07 0.00 0.00 36.82 37.59 2npb h ILE 80 CO 0.14 0.67 -0.06 0.50 -0.69 0.00 0.00 178.15 178.70 2npb h LYS 81 N 0.23 0.63 0.03 2.37 3.11 -1.24 -0.35 116.57 121.35 2npb h LYS 81 Ca -0.04 -0.24 -0.00 0.00 -2.81 0.00 0.00 60.65 57.57 2npb h LYS 81 Cb 1.36 -0.04 0.00 0.00 -1.00 0.00 0.00 32.23 32.55 2npb h LYS 81 CO 0.13 0.80 -0.01 0.00 -2.81 0.00 0.00 179.45 177.55 2npb h ALA 82 N 0.82 -0.04 -0.87 5.00 0.00 -1.34 -0.10 119.26 122.73 2npb h ALA 82 Ca 0.09 -0.06 0.01 0.00 0.00 0.00 0.00 54.91 54.95 2npb h ALA 82 Cb 0.55 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.31 2npb h ALA 82 CO 0.03 -0.47 0.58 0.00 0.00 0.00 0.00 179.25 179.39 2npb h ALA 83 N 0.83 1.11 0.05 0.00 0.00 -1.20 -2.92 119.26 117.13 2npb h ALA 83 Ca -0.00 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 2npb h ALA 83 Cb 0.13 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 17.57 2npb h ALA 83 CO 0.01 0.50 -0.02 1.25 0.00 0.00 0.00 179.25 180.98 2npb h LEU 84 N 1.17 -0.06 -2.63 0.00 7.12 -0.89 -1.90 115.31 118.13 2npb h LEU 84 Ca 0.32 -0.13 0.00 0.00 0.13 0.00 0.00 57.88 58.20 2npb h LEU 84 Cb -0.12 0.01 0.00 0.00 -0.53 0.00 0.00 40.66 40.02 2npb h LEU 84 CO -0.07 0.09 0.00 0.00 -0.13 0.00 0.00 178.44 178.33 2npb h ALA 85 N 0.74 1.00 0.00 1.25 0.00 -0.87 0.18 119.26 121.55 2npb h ALA 85 Ca -0.01 0.00 -0.30 0.00 0.00 0.00 0.00 54.91 54.60 2npb h ALA 85 Cb 0.18 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 17.92 2npb h ALA 85 CO 0.01 0.00 -2.00 0.00 0.00 0.00 0.00 179.25 177.27 2npb n GLN 86 N -2.99 0.66 0.22 0.00 -0.00 -1.11 -4.00 117.38 110.16 2npb n GLN 86 Ca -0.02 0.13 0.09 0.00 -0.00 0.00 0.00 57.00 57.20 2npb n GLN 86 Cb 0.10 -1.66 0.51 0.00 -0.00 0.00 0.00 30.24 29.19 2npb n GLN 86 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06