#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 0.51 -0.27 3.17 0.00 -1.26 -4.67 121.76 119.23 2npb s ALA 2 Ca 0.00 -0.61 -0.00 0.00 0.00 0.00 0.00 51.96 51.34 2npb s ALA 2 Cb 0.00 -3.02 0.04 0.00 0.00 0.00 0.00 23.12 20.14 2npb s ALA 2 CO 0.00 -3.39 -0.05 -1.17 0.00 0.00 0.00 175.76 171.15 2npb s LEU 3 N -6.84 3.54 -0.46 0.00 1.98 0.06 -4.96 118.68 112.01 2npb s LEU 3 Ca 0.68 -1.18 -0.29 0.00 -2.89 0.00 0.00 54.13 50.45 2npb s LEU 3 Cb -0.16 -1.65 0.02 0.00 0.66 0.00 0.00 46.19 45.07 2npb s LEU 3 CO 0.58 -0.20 1.23 0.00 -1.89 0.00 0.00 176.35 176.06 2npb s ALA 4 N 1.24 3.12 0.08 5.97 0.00 -1.26 -0.68 121.76 130.23 2npb s ALA 4 Ca -0.04 -0.38 0.06 0.00 0.00 0.00 0.00 51.96 51.60 2npb s ALA 4 Cb -0.19 -3.91 -0.04 0.00 0.00 0.00 0.00 23.12 18.98 2npb s ALA 4 CO -0.03 -2.31 -0.10 0.08 0.00 0.00 0.00 175.76 173.40 2npb s VAL 5 N 4.77 3.39 0.15 0.00 1.01 0.81 -0.52 120.40 130.02 2npb s VAL 5 Ca 0.52 -1.18 0.02 0.00 0.00 0.00 0.00 61.98 61.34 2npb s VAL 5 Cb -0.09 -2.56 -0.05 0.00 0.00 0.00 0.00 36.38 33.69 2npb s VAL 5 CO 0.32 0.17 -0.03 -0.13 0.00 0.00 0.00 175.10 175.43 2npb s ARG 6 N -2.04 1.05 -0.29 2.72 3.00 -0.01 -0.66 118.95 122.73 2npb s ARG 6 Ca 0.20 -1.48 -0.02 0.00 0.00 0.00 0.00 55.73 54.43 2npb s ARG 6 Cb -0.11 -0.33 0.10 0.00 0.00 0.00 0.00 34.95 34.60 2npb s ARG 6 CO 0.12 -0.07 0.10 0.08 0.00 0.00 0.00 175.30 175.54 2npb s VAL 7 N -3.58 0.48 -0.17 3.52 1.01 -1.02 -1.54 120.40 119.10 2npb s VAL 7 Ca 0.20 -1.06 -0.29 0.00 0.00 0.00 0.00 61.98 60.83 2npb s VAL 7 Cb 0.05 -1.34 -0.02 0.00 0.00 0.00 0.00 36.38 35.08 2npb s VAL 7 CO 0.02 -0.64 1.34 -0.69 0.00 0.00 0.00 175.10 175.13 2npb s VAL 8 N 1.82 4.13 -0.07 2.92 1.01 -0.51 -1.59 120.40 128.12 2npb s VAL 8 Ca 0.08 1.36 -0.10 0.00 0.00 0.00 0.00 61.98 63.32 2npb s VAL 8 Cb -0.17 -3.92 0.02 0.00 0.00 0.00 0.00 36.38 32.31 2npb s VAL 8 CO -0.27 -0.17 0.26 -0.47 0.00 0.00 0.00 175.10 174.45 2npb s TYR 9 N 3.76 -0.23 -1.25 5.22 5.04 -0.02 -1.06 117.35 128.82 2npb s TYR 9 Ca 0.58 0.52 -0.19 0.00 -2.44 0.00 0.00 57.07 55.55 2npb s TYR 9 Cb -0.23 0.08 0.00 0.00 0.35 0.00 0.00 41.96 42.17 2npb s TYR 9 CO 0.18 -0.21 1.87 -1.13 -1.34 0.00 0.00 175.55 174.92 2npb n SER 10 N 2.40 4.09 -0.86 4.32 3.41 -1.22 -4.38 113.62 121.39 2npb n SER 10 Ca -0.16 -2.83 0.00 0.00 -0.26 0.00 0.00 58.87 55.62 2npb n SER 10 Cb 0.57 -1.69 0.00 0.00 -0.26 0.00 0.00 64.21 62.84 2npb n SER 10 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2npb n GLY 11 N 5.27 0.00 0.27 5.00 0.00 -1.26 -4.57 105.19 109.90 2npb n GLY 11 Ca 0.48 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.59 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 1.70 1.90 -2.81 4.61 0.00 -1.99 -3.44 119.26 119.24 2npb h ALA 12 Ca 0.00 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 2npb h ALA 12 Cb 0.00 -0.00 -0.12 0.00 0.00 0.00 0.00 17.79 17.67 2npb h ALA 12 CO 0.00 0.01 -0.03 0.00 0.00 0.00 0.00 179.25 179.23 2npb n GLY 14 N -0.27 0.27 0.17 0.00 0.00 -1.26 -4.82 105.19 99.27 2npb n GLY 14 Ca -0.14 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.75 2npb n GLY 14 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 2npb h TYR 15 N 0.00 -0.32 -0.68 1.61 3.20 -1.96 -3.35 116.97 115.48 2npb h TYR 15 Ca 0.00 -0.00 0.11 0.00 3.14 0.00 0.00 58.73 61.98 2npb h TYR 15 Cb 0.00 0.12 -0.12 0.00 1.54 0.00 0.00 36.73 38.26 2npb h TYR 15 CO 0.00 -0.19 -0.35 0.87 -1.64 0.00 0.00 178.16 176.85 2npb h LYS 16 N -0.31 -0.12 -0.40 1.82 1.57 -1.93 0.18 116.57 117.38 2npb h LYS 16 Ca -0.01 0.01 -0.14 0.00 -1.87 0.00 0.00 60.65 58.63 2npb h LYS 16 Cb 0.26 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.59 2npb h LYS 16 CO 0.01 -0.08 -0.32 -1.00 -0.57 0.00 0.00 179.45 177.49 2npb h PRO 17 N -0.13 0.89 -0.34 3.15 0.13 -1.99 -0.15 132.00 133.56 2npb h PRO 17 Ca 0.26 -0.43 -0.02 0.00 -0.87 0.00 0.00 66.00 64.94 2npb h PRO 17 Cb 0.56 -0.01 -0.02 0.00 0.13 0.00 0.00 31.00 31.67 2npb h PRO 17 CO -0.75 1.08 0.13 0.87 -0.23 0.00 0.00 178.00 179.10 2npb h LYS 18 N 0.75 0.49 0.47 0.86 1.79 -1.14 0.13 116.57 119.91 2npb h LYS 18 Ca 0.08 -0.06 -0.02 0.00 -2.18 0.00 0.00 60.65 58.46 2npb h LYS 18 Cb 0.89 -0.09 0.00 0.00 -1.58 0.00 0.00 32.23 31.45 2npb h LYS 18 CO 0.08 0.41 -0.23 -0.92 -1.08 0.00 0.00 179.45 177.72 2npb h TYR 19 N 0.49 -0.59 -0.95 -1.35 3.20 -0.67 -3.19 116.97 113.91 2npb h TYR 19 Ca 0.12 -0.01 0.07 0.00 3.14 0.00 0.00 58.73 62.04 2npb h TYR 19 Cb 0.12 0.20 -0.06 0.00 1.54 0.00 0.00 36.73 38.52 2npb h TYR 19 CO 0.00 -0.37 0.61 -0.07 -1.64 0.00 0.00 178.16 176.70 2npb h LEU 20 N -0.99 0.96 -0.49 2.82 4.07 -0.91 -0.51 115.31 120.26 2npb h LEU 20 Ca -0.07 0.01 -0.13 0.00 0.08 0.00 0.00 57.88 57.78 2npb h LEU 20 Cb 0.49 -0.20 -0.01 0.00 1.08 0.00 0.00 40.66 42.02 2npb h LEU 20 CO 0.11 0.61 -0.19 -0.61 -1.08 0.00 0.00 178.44 177.28 2npb h GLN 21 N 1.09 0.99 0.27 1.13 -0.00 -0.87 0.57 115.11 118.28 2npb h GLN 21 Ca 0.41 -0.41 -0.01 0.00 -0.00 0.00 0.00 58.65 58.64 2npb h GLN 21 Cb 0.20 -0.04 -0.01 0.00 0.00 0.00 0.00 27.48 27.63 2npb h GLN 21 CO -0.16 1.09 -0.17 1.25 0.00 0.00 0.00 178.83 180.84 2npb h LEU 22 N 0.84 -0.43 0.87 -2.39 5.85 -1.48 -3.05 115.31 115.52 2npb h LEU 22 Ca 0.11 0.03 -0.04 0.00 0.84 0.00 0.00 57.88 58.82 2npb h LEU 22 Cb 0.76 0.13 0.01 0.00 0.37 0.00 0.00 40.66 41.93 2npb h LEU 22 CO 0.06 -0.27 -0.42 0.11 -0.34 0.00 0.00 178.44 177.58 2npb h LYS 23 N -0.43 -1.12 -0.85 1.25 1.57 -0.57 -2.47 116.57 113.95 2npb h LYS 23 Ca -0.03 0.08 0.21 0.00 -1.87 0.00 0.00 60.65 59.04 2npb h LYS 23 Cb 0.36 0.25 -0.15 0.00 0.08 0.00 0.00 32.23 32.77 2npb h LYS 23 CO 0.02 -0.75 0.01 1.49 -0.57 0.00 0.00 179.45 179.65 2npb h GLU 24 N -1.19 0.07 -0.32 3.15 4.22 -0.02 -0.48 114.58 120.00 2npb h GLU 24 Ca -0.12 -0.00 -0.06 0.00 0.08 0.00 0.00 59.36 59.26 2npb h GLU 24 Cb 0.89 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.11 2npb h GLU 24 CO 0.20 0.05 -0.03 -0.22 -2.18 0.00 0.00 179.01 176.82 2npb h LYS 25 N 0.07 0.59 0.12 1.92 1.63 -1.46 0.77 116.57 120.21 2npb h LYS 25 Ca 0.48 -0.21 0.00 0.00 -0.85 0.00 0.00 60.65 60.08 2npb h LYS 25 Cb 0.90 -0.04 -0.01 0.00 -0.60 0.00 0.00 32.23 32.48 2npb h LYS 25 CO -0.77 0.75 -0.11 -0.07 -3.45 0.00 0.00 179.45 175.80 2npb h LEU 26 N 0.38 -0.28 -1.58 5.20 -0.00 -0.87 -0.18 115.31 117.98 2npb h LEU 26 Ca 0.09 0.03 -0.02 0.00 -0.00 0.00 0.00 57.88 57.97 2npb h LEU 26 Cb 0.50 0.10 -0.01 0.00 -0.00 0.00 0.00 40.66 41.25 2npb h LEU 26 CO 0.02 -0.17 0.04 -0.33 -0.00 0.00 0.00 178.44 178.00 2npb h GLU 27 N -0.24 0.30 -0.63 1.13 5.08 -1.13 -2.02 114.58 117.07 2npb h GLU 27 Ca 0.00 -0.04 -0.03 0.00 -1.00 0.00 0.00 59.36 58.29 2npb h GLU 27 Cb 0.23 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.39 2npb h GLU 27 CO -0.03 0.30 0.27 1.25 -1.00 0.00 0.00 179.01 179.80 2npb h HIS 28 N 0.30 0.94 -0.73 4.33 2.76 -0.53 -1.37 115.15 120.87 2npb h HIS 28 Ca 0.07 -0.06 0.00 0.00 -2.20 0.00 0.00 60.37 58.18 2npb h HIS 28 Cb 0.15 -0.29 -0.04 0.00 1.55 0.00 0.00 27.41 28.79 2npb h HIS 28 CO 0.00 0.74 0.45 1.49 -1.30 0.00 0.00 177.93 179.31 2npb h GLU 29 N 0.88 0.98 -0.99 5.26 4.57 -0.33 -3.40 114.58 121.55 2npb h GLU 29 Ca 0.21 -0.08 -0.10 0.00 -1.18 0.00 0.00 59.36 58.22 2npb h GLU 29 Cb 0.18 -0.21 -0.18 0.00 -0.16 0.00 0.00 28.75 28.38 2npb h GLU 29 CO -0.02 0.68 -0.46 -0.59 -1.18 0.00 0.00 179.01 177.43 2npb s PHE 30 N -6.03 -1.67 0.24 0.92 -0.12 -0.93 -5.11 117.98 105.28 2npb s PHE 30 Ca -0.13 -0.12 -0.30 0.00 -0.05 0.00 0.00 56.93 56.34 2npb s PHE 30 Cb 0.15 0.32 -0.09 0.00 -0.63 0.00 0.00 43.02 42.76 2npb s PHE 30 CO 0.78 -1.21 1.16 -1.25 -0.05 0.00 0.00 175.22 174.65 2npb s PRO 31 N 1.41 4.55 0.00 1.99 0.04 -0.52 -3.54 135.00 138.93 2npb s PRO 31 Ca 0.22 1.88 0.00 0.00 0.04 0.00 0.00 61.00 63.14 2npb s PRO 31 Cb -0.02 -3.20 0.00 0.00 0.04 0.00 0.00 34.50 31.32 2npb s PRO 31 CO -0.06 0.04 0.00 0.41 0.04 0.00 0.00 177.00 177.43 2npb n GLY 32 N 1.57 0.43 0.19 0.56 0.00 -1.26 -4.62 105.19 102.05 2npb n GLY 32 Ca 0.01 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.16 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 -5.59 2.37 -0.05 0.00 2.01 -1.23 -0.76 118.68 115.43 2npb s LEU 34 Ca 0.07 -0.79 0.05 0.00 0.01 0.00 0.00 54.13 53.47 2npb s LEU 34 Cb 0.08 -1.02 -0.02 0.00 0.01 0.00 0.00 46.19 45.23 2npb s LEU 34 CO 0.62 0.08 -0.19 -0.62 1.01 0.00 0.00 176.35 177.25 2npb s ASP 35 N -2.31 3.64 -0.15 2.29 2.15 0.15 -4.85 116.67 117.59 2npb s ASP 35 Ca 0.14 -0.32 -0.01 0.00 0.43 0.00 0.00 52.55 52.79 2npb s ASP 35 Cb -0.08 -0.77 0.04 0.00 -0.30 0.00 0.00 42.92 41.81 2npb s ASP 35 CO 0.07 0.31 -0.02 -0.63 -0.17 0.00 0.00 175.17 174.73 2npb s ILE 36 N -0.54 0.80 0.29 4.11 1.09 -1.26 -0.13 121.20 125.57 2npb s ILE 36 Ca 0.07 -0.43 0.03 0.00 -1.10 0.00 0.00 60.65 59.23 2npb s ILE 36 Cb -0.11 -1.04 0.03 0.00 -1.06 0.00 0.00 42.46 40.28 2npb s ILE 36 CO 0.01 0.09 0.27 0.00 -0.10 0.00 0.00 174.94 175.21 2npb n GLY 38 N 1.46 3.54 3.43 0.00 0.00 -1.26 -2.43 105.19 109.93 2npb n GLY 38 Ca 0.02 -2.04 -0.16 0.00 0.00 0.00 0.00 46.02 43.84 2npb n GLY 38 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2npb s GLU 39 N -2.99 0.97 -0.41 1.61 -6.30 -0.62 -4.64 118.70 106.33 2npb s GLU 39 Ca 0.14 0.05 0.09 0.00 -2.50 0.00 0.00 54.97 52.74 2npb s GLU 39 Cb 0.01 0.45 0.30 0.00 0.00 0.00 0.00 34.13 34.89 2npb s GLU 39 CO 0.10 -0.31 0.75 0.41 0.02 0.00 0.00 175.26 176.22 2npb n GLY 40 N 0.86 2.41 3.69 -1.50 0.00 -1.26 -0.84 105.19 108.55 2npb n GLY 40 Ca -0.19 -1.13 -0.44 0.00 0.00 0.00 0.00 46.02 44.25 2npb n GLY 40 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2npb n THR 41 N 0.84 0.66 -2.17 2.61 -1.04 -1.26 -4.99 114.28 108.93 2npb n THR 41 Ca 0.19 -0.17 -0.27 0.00 -2.04 0.00 0.00 64.05 61.76 2npb n THR 41 Cb 0.62 -1.60 0.10 0.00 -1.82 0.00 0.00 70.33 67.64 2npb n THR 41 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 2npb s PRO 42 N 0.01 1.73 0.00 -2.82 0.04 -1.26 -4.55 135.00 128.15 2npb s PRO 42 Ca 0.71 -0.40 0.00 0.00 0.04 0.00 0.00 61.00 61.35 2npb s PRO 42 Cb -0.62 -2.10 0.00 0.00 0.04 0.00 0.00 34.50 31.82 2npb s PRO 42 CO 0.45 -1.58 0.00 0.94 0.04 0.00 0.00 177.00 176.85 2npb n GLN 43 N -3.14 0.00 -2.34 4.56 7.27 -1.26 -4.95 117.38 117.52 2npb n GLN 43 Ca 0.11 0.00 -0.35 0.00 0.07 0.00 0.00 57.00 56.83 2npb n GLN 43 Cb 0.60 -1.74 -0.01 0.00 2.41 0.00 0.00 30.24 31.50 2npb n GLN 43 CO 0.00 0.00 0.00 0.54 0.07 0.00 0.00 177.06 177.67 2npb s VAL 44 N -0.06 3.34 0.18 1.69 0.11 -1.26 -5.00 120.40 119.41 2npb s VAL 44 Ca 0.00 0.84 -0.08 0.00 -2.93 0.00 0.00 61.98 59.82 2npb s VAL 44 Cb 0.00 -3.34 0.03 0.00 -1.53 0.00 0.00 36.38 31.53 2npb s VAL 44 CO 0.00 -0.17 1.60 0.74 -3.33 0.00 0.00 175.10 173.94 2npb h THR 45 N 1.34 1.27 0.00 5.04 2.02 -1.94 -3.49 112.91 117.14 2npb h THR 45 Ca -0.50 -1.32 0.00 0.00 0.77 0.00 0.00 66.41 65.36 2npb h THR 45 Cb 1.25 1.09 0.00 0.00 -1.74 0.00 0.00 68.15 68.75 2npb h THR 45 CO 0.58 0.46 0.00 0.61 0.37 0.00 0.00 175.52 177.53 2npb n GLY 46 N -0.22 2.78 3.60 2.16 0.00 -1.26 -4.96 105.19 107.29 2npb n GLY 46 Ca 0.01 -1.14 -0.04 0.00 0.00 0.00 0.00 46.02 44.85 2npb n GLY 46 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2npb s PHE 47 N -2.00 -0.15 -0.34 1.61 -0.12 -1.26 -4.93 117.98 110.79 2npb s PHE 47 Ca 0.00 0.05 -0.01 0.00 -0.05 0.00 0.00 56.93 56.92 2npb s PHE 47 Cb 0.00 0.54 0.12 0.00 -0.63 0.00 0.00 43.02 43.05 2npb s PHE 47 CO 0.00 -0.36 0.17 0.12 -0.05 0.00 0.00 175.22 175.10 2npb s PHE 48 N -2.66 1.00 -0.22 3.49 2.19 -1.25 -3.40 117.98 117.13 2npb s PHE 48 Ca 0.10 -1.55 0.00 0.00 0.33 0.00 0.00 56.93 55.81 2npb s PHE 48 Cb 0.00 -1.23 0.05 0.00 -1.31 0.00 0.00 43.02 40.54 2npb s PHE 48 CO -0.05 -0.83 -0.06 -1.21 1.83 0.00 0.00 175.22 174.90 2npb s GLU 49 N 1.37 1.66 -0.23 10.12 0.41 -0.22 -1.53 118.70 130.28 2npb s GLU 49 Ca 0.14 -0.88 -0.07 0.00 -0.41 0.00 0.00 54.97 53.75 2npb s GLU 49 Cb -0.20 -2.46 -0.03 0.00 -1.78 0.00 0.00 34.13 29.66 2npb s GLU 49 CO -0.16 -0.54 0.06 0.08 -0.49 0.00 0.00 175.26 174.22 2npb s VAL 50 N 1.44 4.42 -0.08 2.63 1.01 -0.60 -1.42 120.40 127.80 2npb s VAL 50 Ca -0.04 -0.14 0.01 0.00 0.00 0.00 0.00 61.98 61.81 2npb s VAL 50 Cb -0.18 -3.04 0.02 0.00 0.00 0.00 0.00 36.38 33.18 2npb s VAL 50 CO -0.07 0.37 -0.08 0.42 0.00 0.00 0.00 175.10 175.74 2npb s THR 51 N 1.24 0.92 -0.18 3.92 -4.23 -0.59 -0.78 115.64 115.94 2npb s THR 51 Ca 0.05 -0.30 0.00 0.00 -1.18 0.00 0.00 61.69 60.26 2npb s THR 51 Cb -0.14 -0.91 0.01 0.00 1.34 0.00 0.00 72.50 72.80 2npb s THR 51 CO 0.03 0.33 -0.17 0.54 -0.54 0.00 0.00 174.62 174.81 2npb s VAL 52 N 1.17 2.32 -1.05 2.29 0.11 -0.32 -0.83 120.40 124.10 2npb s VAL 52 Ca -0.06 -0.86 -0.07 0.00 -2.93 0.00 0.00 61.98 58.06 2npb s VAL 52 Cb -0.14 -1.98 0.06 0.00 -1.53 0.00 0.00 36.38 32.79 2npb s VAL 52 CO -0.02 0.52 0.31 0.00 -3.33 0.00 0.00 175.10 172.59 2npb n ALA 53 N 4.50 -1.01 -0.16 1.54 0.00 0.32 -0.56 120.51 125.13 2npb n ALA 53 Ca -0.20 0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.28 2npb n ALA 53 Cb 0.51 -2.07 0.00 0.00 0.00 0.00 0.00 19.45 17.88 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 -0.96 2.42 3.56 0.00 0.00 -1.26 -4.99 105.19 103.96 2npb n GLY 54 Ca -0.02 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.02 2.85 -0.00 1.61 -0.14 0.27 -4.91 119.74 119.40 2npb s LYS 55 Ca 0.00 0.54 -0.31 0.00 -1.36 0.00 0.00 55.97 54.84 2npb s LYS 55 Cb 0.00 -4.31 -0.10 0.00 -1.68 0.00 0.00 37.83 31.74 2npb s LYS 55 CO 0.00 -2.48 1.95 -0.11 -0.76 0.00 0.00 175.35 173.95 2npb n LEU 56 N 11.69 3.95 -0.13 3.17 0.00 -1.26 -1.17 117.00 133.24 2npb n LEU 56 Ca 0.17 0.92 -0.21 0.00 0.00 0.00 0.00 56.01 56.90 2npb n LEU 56 Cb 0.51 -1.48 -0.11 0.00 0.00 0.00 0.00 43.42 42.34 2npb n LEU 56 CO 0.71 0.12 -1.35 0.52 0.00 0.00 0.00 177.39 177.39 2npb n VAL 57 N 5.43 1.44 -4.47 1.96 0.31 0.04 -4.98 118.33 118.05 2npb n VAL 57 Ca 0.21 -0.50 -0.30 0.00 -0.01 0.00 0.00 64.34 63.75 2npb n VAL 57 Cb 0.37 -1.52 -0.13 0.00 -0.91 0.00 0.00 33.84 31.65 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 -2.50 2.43 -0.22 3.52 5.65 -1.14 -4.99 115.29 118.04 2npb s HIS 58 Ca -0.35 -0.32 -0.08 0.00 0.25 0.00 0.00 55.06 54.56 2npb s HIS 58 Cb 0.10 -1.34 0.10 0.00 -1.18 0.00 0.00 32.58 30.26 2npb s HIS 58 CO 0.55 0.31 0.47 0.45 -0.65 0.00 0.00 174.74 175.87 2npb s SER 59 N -1.88 -0.46 0.30 9.88 0.15 -1.25 -1.55 113.70 118.88 2npb s SER 59 Ca 0.15 1.12 0.11 0.00 0.70 0.00 0.00 55.95 58.03 2npb s SER 59 Cb -0.10 1.54 0.44 0.00 -1.71 0.00 0.00 66.02 66.20 2npb s SER 59 CO 0.07 -0.23 1.66 0.11 1.20 0.00 0.00 173.24 176.05 2npb h LYS 60 N 8.10 0.00 0.00 5.44 1.79 -1.65 -2.40 116.57 127.85 2npb h LYS 60 Ca -0.17 0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 58.28 2npb h LYS 60 Cb 1.11 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.76 2npb h LYS 60 CO 0.12 0.56 -0.09 1.57 -1.08 0.00 0.00 179.45 180.53 2npb h LYS 61 N 0.00 0.00 -0.02 3.15 2.10 -1.92 -2.19 116.57 117.70 2npb h LYS 61 Ca -0.01 0.00 -0.16 0.00 -2.00 0.00 0.00 60.65 58.48 2npb h LYS 61 Cb 0.99 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 32.30 2npb h LYS 61 CO 0.07 0.09 -0.72 -0.09 -2.00 0.00 0.00 179.45 176.81 2npb h ARG 62 N 0.00 0.12 0.00 0.07 2.43 -1.95 -3.48 114.38 111.57 2npb h ARG 62 Ca -0.00 -0.11 0.00 0.00 -0.81 0.00 0.00 59.98 59.06 2npb h ARG 62 Cb 0.62 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.19 2npb h ARG 62 CO 0.01 0.79 0.00 0.41 -1.51 0.00 0.00 179.97 179.67 2npb n GLY 63 N 0.52 1.18 0.27 2.80 0.00 -0.82 -5.02 105.19 104.12 2npb n GLY 63 Ca -0.02 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.10 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 0.00 -3.97 1.61 3.58 -1.66 -3.49 116.42 112.49 2npb h ASP 64 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2npb h ASP 64 Cb 0.00 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.05 2npb h ASP 64 CO 0.00 0.04 -0.46 0.61 -2.88 0.00 0.00 179.24 176.55 2npb n GLY 65 N -1.32 -3.55 3.14 -0.78 0.00 -1.26 -5.02 105.19 96.40 2npb n GLY 65 Ca -0.03 -1.03 -0.29 0.00 0.00 0.00 0.00 46.02 44.67 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 -1.63 -3.78 -1.97 1.61 4.01 -1.26 -4.82 117.16 109.32 2npb n TYR 66 Ca 0.00 -0.83 -0.28 0.00 -0.16 0.00 0.00 57.90 56.63 2npb n TYR 66 Cb 0.15 -1.19 -0.05 0.00 -0.31 0.00 0.00 39.34 37.94 2npb n TYR 66 CO 0.00 0.00 0.00 0.14 -0.46 0.00 0.00 176.86 176.54 2npb s VAL 67 N -2.26 3.36 -0.00 -0.72 -7.23 -1.26 -4.60 120.40 107.68 2npb s VAL 67 Ca 0.66 -0.19 0.00 0.00 -1.81 0.00 0.00 61.98 60.64 2npb s VAL 67 Cb -0.10 -3.83 0.00 0.00 0.56 0.00 0.00 36.38 33.00 2npb s VAL 67 CO 0.54 -0.79 0.64 0.47 -0.31 0.00 0.00 175.10 175.65 2npb n ASP 68 N 14.37 1.27 -3.76 4.85 8.00 -1.26 -4.93 116.55 135.10 2npb n ASP 68 Ca 0.37 -1.27 -0.10 0.00 0.71 0.00 0.00 54.79 54.50 2npb n ASP 68 Cb 0.48 -0.00 -0.06 0.00 -0.02 0.00 0.00 41.12 41.52 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 -0.27 0.09 0.15 -3.53 2.01 -1.26 -5.02 115.64 107.80 2npb s THR 69 Ca 0.00 -0.90 -0.23 0.00 0.31 0.00 0.00 61.69 60.88 2npb s THR 69 Cb 0.00 -1.34 0.02 0.00 0.01 0.00 0.00 72.50 71.19 2npb s THR 69 CO 0.00 -0.41 1.63 -0.08 -0.69 0.00 0.00 174.62 175.07 2npb h GLU 70 N 2.50 -0.26 -0.76 4.92 4.22 -1.99 -0.93 114.58 122.29 2npb h GLU 70 Ca -0.33 0.02 0.05 0.00 0.08 0.00 0.00 59.36 59.18 2npb h GLU 70 Cb 1.23 0.06 -0.05 0.00 0.50 0.00 0.00 28.75 30.50 2npb h GLU 70 CO 0.49 -0.17 0.50 1.03 -2.18 0.00 0.00 179.01 178.68 2npb h SER 71 N -0.27 0.75 0.29 1.04 0.87 -1.97 0.23 113.55 114.50 2npb h SER 71 Ca 0.13 -0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.67 2npb h SER 71 Cb 0.47 -0.17 0.00 0.00 -0.44 0.00 0.00 62.40 62.26 2npb h SER 71 CO -0.37 0.50 -0.14 0.50 -0.53 0.00 0.00 176.83 176.79 2npb h LYS 72 N 0.87 -0.38 0.13 2.24 1.63 -1.65 -0.84 116.57 118.56 2npb h LYS 72 Ca 0.32 0.03 0.02 0.00 -0.85 0.00 0.00 60.65 60.16 2npb h LYS 72 Cb 0.15 0.09 -0.04 0.00 -0.60 0.00 0.00 32.23 31.84 2npb h LYS 72 CO -0.10 -0.14 -0.28 0.35 -3.45 0.00 0.00 179.45 175.83 2npb h PHE 73 N -0.58 -0.76 0.00 1.91 3.57 -0.36 -3.04 116.94 117.69 2npb h PHE 73 Ca -0.04 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.45 2npb h PHE 73 Cb 0.42 0.32 -0.00 0.00 2.79 0.00 0.00 35.95 39.48 2npb h PHE 73 CO -0.01 -0.39 -0.11 -0.09 -2.23 0.00 0.00 178.31 175.48 2npb h ARG 74 N -0.50 0.00 -0.60 1.11 2.43 -0.56 0.14 114.38 116.40 2npb h ARG 74 Ca 0.03 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.19 2npb h ARG 74 Cb 0.53 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.05 2npb h ARG 74 CO -0.16 0.11 0.35 0.87 -1.51 0.00 0.00 179.97 179.63 2npb h LYS 75 N 0.00 0.82 -0.02 0.20 6.56 -1.04 -0.10 116.57 122.99 2npb h LYS 75 Ca -0.00 -0.08 -0.07 0.00 -1.06 0.00 0.00 60.65 59.43 2npb h LYS 75 Cb 0.20 -0.17 0.01 0.00 -0.57 0.00 0.00 32.23 31.70 2npb h LYS 75 CO 0.01 0.60 -0.27 1.25 -2.06 0.00 0.00 179.45 178.98 2npb h LEU 76 N 0.81 0.27 -0.75 2.94 7.12 -1.00 -1.71 115.31 122.99 2npb h LEU 76 Ca 0.21 -0.74 0.01 0.00 0.13 0.00 0.00 57.88 57.50 2npb h LEU 76 Cb 0.00 -0.08 -0.04 0.00 -0.53 0.00 0.00 40.66 40.01 2npb h LEU 76 CO -0.04 0.97 0.49 0.58 -0.13 0.00 0.00 178.44 180.31 2npb h VAL 77 N -0.41 1.17 -0.34 1.05 2.07 -0.85 -0.08 116.25 118.86 2npb h VAL 77 Ca -0.03 -0.34 -0.09 0.00 0.82 0.00 0.00 66.70 67.06 2npb h VAL 77 Cb 0.99 0.10 -0.02 0.00 -1.52 0.00 0.00 31.29 30.85 2npb h VAL 77 CO 0.05 0.18 -0.17 0.74 0.02 0.00 0.00 177.57 178.39 2npb h THR 78 N 0.98 1.26 -0.08 2.57 2.02 -1.02 0.13 112.91 118.77 2npb h THR 78 Ca 0.28 -1.19 -0.18 0.00 0.77 0.00 0.00 66.41 66.09 2npb h THR 78 Cb -0.08 1.19 -0.00 0.00 -1.74 0.00 0.00 68.15 67.51 2npb h THR 78 CO -0.07 0.39 -0.73 0.00 0.37 0.00 0.00 175.52 175.47 2npb h ALA 79 N 1.26 0.59 0.02 6.16 0.00 -0.63 -0.58 119.26 126.08 2npb h ALA 79 Ca 0.09 -0.61 -0.21 0.00 0.00 0.00 0.00 54.91 54.18 2npb h ALA 79 Cb 0.61 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 2npb h ALA 79 CO 0.04 0.76 -0.94 0.82 0.00 0.00 0.00 179.25 179.94 2npb h ILE 80 N 0.27 1.48 -0.28 0.00 1.08 -0.90 -1.00 117.51 118.17 2npb h ILE 80 Ca -0.03 -2.65 -0.08 0.00 -0.39 0.00 0.00 64.86 61.70 2npb h ILE 80 Cb 1.31 2.52 -0.01 0.00 -3.07 0.00 0.00 36.82 37.57 2npb h ILE 80 CO 0.13 0.78 -0.15 0.50 -0.69 0.00 0.00 178.15 178.71 2npb h LYS 81 N 0.13 0.59 0.62 2.37 3.64 -0.61 0.76 116.57 124.08 2npb h LYS 81 Ca -0.06 -0.27 -0.03 0.00 -1.27 0.00 0.00 60.65 59.02 2npb h LYS 81 Cb 1.58 -0.01 0.01 0.00 -0.41 0.00 0.00 32.23 33.40 2npb h LYS 81 CO 0.15 0.84 -0.30 0.00 -2.27 0.00 0.00 179.45 177.87 2npb h ALA 82 N 0.74 -0.84 -0.46 5.00 0.00 -1.15 -1.09 119.26 121.46 2npb h ALA 82 Ca 0.06 -0.19 0.02 0.00 0.00 0.00 0.00 54.91 54.80 2npb h ALA 82 Cb 0.67 0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.76 2npb h ALA 82 CO 0.04 -0.95 0.30 0.00 0.00 0.00 0.00 179.25 178.65 2npb h ALA 83 N -0.52 1.75 0.42 0.00 0.00 -1.13 -1.34 119.26 118.43 2npb h ALA 83 Ca -0.09 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 2npb h ALA 83 Cb 0.66 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.29 2npb h ALA 83 CO 0.14 0.21 -0.20 1.25 0.00 0.00 0.00 179.25 180.65 2npb h LEU 84 N 0.55 -0.48 -2.57 0.00 7.12 -0.76 -0.46 115.31 118.71 2npb h LEU 84 Ca 0.18 -0.10 -0.00 0.00 0.13 0.00 0.00 57.88 58.09 2npb h LEU 84 Cb 0.04 0.12 -0.00 0.00 -0.53 0.00 0.00 40.66 40.29 2npb h LEU 84 CO -0.04 -0.15 -0.01 0.00 -0.13 0.00 0.00 178.44 178.11 2npb h ALA 85 N -0.40 1.03 0.02 1.25 0.00 -0.77 0.17 119.26 120.57 2npb h ALA 85 Ca -0.06 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 2npb h ALA 85 Cb 0.55 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.34 2npb h ALA 85 CO 0.10 0.01 -0.01 1.96 0.00 0.00 0.00 179.25 181.30 2npb h GLN 86 N 0.00 -0.02 0.00 0.00 4.20 -1.19 -3.34 115.11 114.75 2npb h GLN 86 Ca -0.00 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.70 2npb h GLN 86 Cb 0.13 0.01 -0.00 0.00 0.30 0.00 0.00 27.48 27.92 2npb h GLN 86 CO 0.00 0.64 -0.04 0.00 -0.67 0.00 0.00 178.83 178.76