#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 3.32 -0.38 -5.12 0.00 -1.26 -4.38 121.76 113.94 2npb s ALA 2 Ca 0.00 -0.36 -0.23 0.00 0.00 0.00 0.00 51.96 51.38 2npb s ALA 2 Cb 0.00 -2.73 0.01 0.00 0.00 0.00 0.00 23.12 20.40 2npb s ALA 2 CO 0.00 -0.39 0.75 -1.17 0.00 0.00 0.00 175.76 174.95 2npb s LEU 3 N -4.73 4.18 -0.54 0.00 1.98 0.08 -4.83 118.68 114.83 2npb s LEU 3 Ca 0.50 0.23 -0.28 0.00 -2.89 0.00 0.00 54.13 51.69 2npb s LEU 3 Cb -0.10 -2.96 0.01 0.00 0.66 0.00 0.00 46.19 43.79 2npb s LEU 3 CO 0.45 -0.73 1.44 0.00 -1.89 0.00 0.00 176.35 175.62 2npb s ALA 4 N 3.04 2.82 0.10 5.97 0.00 -1.26 -0.75 121.76 131.68 2npb s ALA 4 Ca 0.30 -0.58 0.08 0.00 0.00 0.00 0.00 51.96 51.75 2npb s ALA 4 Cb -0.13 -4.08 -0.04 0.00 0.00 0.00 0.00 23.12 18.86 2npb s ALA 4 CO 0.17 -2.88 -0.14 0.08 0.00 0.00 0.00 175.76 172.99 2npb s VAL 5 N 6.09 3.12 0.07 0.00 1.01 -0.04 -0.55 120.40 130.10 2npb s VAL 5 Ca 0.55 -1.32 0.02 0.00 0.00 0.00 0.00 61.98 61.22 2npb s VAL 5 Cb -0.11 -2.43 -0.03 0.00 0.00 0.00 0.00 36.38 33.80 2npb s VAL 5 CO 0.26 0.15 -0.07 -0.60 0.00 0.00 0.00 175.10 174.84 2npb s ARG 6 N -2.06 0.66 -0.31 2.72 6.06 0.30 -1.09 118.95 125.23 2npb s ARG 6 Ca 0.19 -1.02 0.01 0.00 -2.50 0.00 0.00 55.73 52.41 2npb s ARG 6 Cb -0.11 -0.22 0.15 0.00 0.06 0.00 0.00 34.95 34.83 2npb s ARG 6 CO 0.11 0.01 0.35 0.08 -2.50 0.00 0.00 175.30 173.35 2npb s VAL 7 N -2.46 -0.47 -0.27 7.11 1.01 -1.07 -1.29 120.40 122.96 2npb s VAL 7 Ca -0.00 -0.53 -0.09 0.00 0.00 0.00 0.00 61.98 61.36 2npb s VAL 7 Cb -0.03 -0.91 -0.03 0.00 0.00 0.00 0.00 36.38 35.42 2npb s VAL 7 CO -0.02 -0.43 0.12 0.54 0.00 0.00 0.00 175.10 175.31 2npb s VAL 8 N 2.22 4.65 0.11 2.92 0.11 -0.65 -0.13 120.40 129.63 2npb s VAL 8 Ca 0.11 -0.15 -0.06 0.00 -2.93 0.00 0.00 61.98 58.95 2npb s VAL 8 Cb -0.14 -3.24 -0.02 0.00 -1.53 0.00 0.00 36.38 31.46 2npb s VAL 8 CO -0.26 0.24 0.16 -0.47 -3.33 0.00 0.00 175.10 171.44 2npb s TYR 9 N 1.65 0.42 -1.04 1.54 5.04 -1.24 -0.70 117.35 123.02 2npb s TYR 9 Ca 0.06 -0.84 -0.23 0.00 -2.44 0.00 0.00 57.07 53.62 2npb s TYR 9 Cb -0.16 -0.19 -0.02 0.00 0.35 0.00 0.00 41.96 41.94 2npb s TYR 9 CO 0.06 -0.56 1.82 0.45 -1.34 0.00 0.00 175.55 175.98 2npb s SER 10 N -2.94 5.58 0.00 4.32 0.15 -1.23 -1.39 113.70 118.20 2npb s SER 10 Ca 0.12 -1.28 0.00 0.00 0.70 0.00 0.00 55.95 55.49 2npb s SER 10 Cb 0.05 -2.57 0.00 0.00 -1.71 0.00 0.00 66.02 61.79 2npb s SER 10 CO -0.05 -2.40 0.56 0.61 1.20 0.00 0.00 173.24 173.16 2npb n GLY 11 N 6.43 1.04 0.00 9.45 0.00 0.46 -4.40 105.19 118.18 2npb n GLY 11 Ca 0.41 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.49 2npb n GLY 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2npb n ALA 12 N 1.76 1.63 -3.30 4.61 0.00 -1.26 -4.37 120.51 119.58 2npb n ALA 12 Ca 0.00 -0.05 -0.05 0.00 0.00 0.00 0.00 53.44 53.34 2npb n ALA 12 Cb 0.15 -1.20 -0.02 0.00 0.00 0.00 0.00 19.45 18.38 2npb n ALA 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2npb n GLY 14 N 0.05 1.01 0.38 0.00 0.00 -1.26 -4.76 105.19 100.60 2npb n GLY 14 Ca 0.01 -0.83 0.15 0.00 0.00 0.00 0.00 46.02 45.35 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 9.35 0.51 -0.45 1.61 -0.00 -1.96 -3.36 116.97 122.66 2npb h TYR 15 Ca 0.25 0.01 0.05 0.00 -0.00 0.00 0.00 58.73 59.04 2npb h TYR 15 Cb 0.58 -0.16 -0.09 0.00 -0.00 0.00 0.00 36.73 37.06 2npb h TYR 15 CO 1.21 0.20 -0.56 0.87 -0.00 0.00 0.00 178.16 179.88 2npb h LYS 16 N 0.44 -0.35 -0.41 0.10 1.79 -1.99 0.26 116.57 116.41 2npb h LYS 16 Ca 0.37 0.02 -0.04 0.00 -2.18 0.00 0.00 60.65 58.82 2npb h LYS 16 Cb 0.82 0.08 -0.02 0.00 -1.58 0.00 0.00 32.23 31.53 2npb h LYS 16 CO -0.12 -0.24 0.08 -1.00 -1.08 0.00 0.00 179.45 177.09 2npb h PRO 17 N -0.37 0.66 -0.50 3.15 0.13 -1.99 0.83 132.00 133.92 2npb h PRO 17 Ca 0.08 -0.17 0.06 0.00 -0.87 0.00 0.00 66.00 65.10 2npb h PRO 17 Cb 0.58 -0.08 -0.03 0.00 0.13 0.00 0.00 31.00 31.60 2npb h PRO 17 CO -0.62 0.69 0.33 -0.22 -0.23 0.00 0.00 178.00 177.95 2npb h LYS 18 N 0.52 0.43 0.28 0.86 3.11 -1.36 0.10 116.57 120.51 2npb h LYS 18 Ca 0.13 -0.03 -0.01 0.00 -2.81 0.00 0.00 60.65 57.93 2npb h LYS 18 Cb 0.34 -0.10 0.00 0.00 -1.00 0.00 0.00 32.23 31.48 2npb h LYS 18 CO 0.00 0.28 -0.14 1.88 -2.81 0.00 0.00 179.45 178.67 2npb h TYR 19 N 0.44 -0.35 -0.50 1.91 -1.99 -0.51 -3.35 116.97 112.62 2npb h TYR 19 Ca 0.21 -0.01 0.10 0.00 2.00 0.00 0.00 58.73 61.04 2npb h TYR 19 Cb 0.29 0.12 -0.09 0.00 2.00 0.00 0.00 36.73 39.05 2npb h TYR 19 CO -0.00 -0.22 -0.06 -0.07 -0.00 0.00 0.00 178.16 177.81 2npb h LEU 20 N -1.06 -0.33 -0.26 3.88 3.38 -0.35 0.03 115.31 120.60 2npb h LEU 20 Ca -0.04 0.13 0.00 0.00 0.09 0.00 0.00 57.88 58.07 2npb h LEU 20 Cb 0.29 0.26 0.00 0.00 0.09 0.00 0.00 40.66 41.30 2npb h LEU 20 CO 0.06 -0.12 0.00 0.00 0.09 0.00 0.00 178.44 178.47 2npb n GLN 21 N -5.29 0.06 -0.09 1.13 3.00 0.32 0.51 117.38 117.02 2npb n GLN 21 Ca 0.05 0.33 -0.18 0.00 -0.01 0.00 0.00 57.00 57.19 2npb n GLN 21 Cb 0.27 -1.63 -0.12 0.00 0.00 0.00 0.00 30.24 28.77 2npb n GLN 21 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.06 178.31 2npb h LEU 22 N 0.00 0.00 0.62 1.08 5.85 -1.45 -3.39 115.31 118.02 2npb h LEU 22 Ca 0.00 -0.71 -0.03 0.00 0.84 0.00 0.00 57.88 57.98 2npb h LEU 22 Cb 0.26 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.29 2npb h LEU 22 CO 0.00 1.26 -0.30 0.50 -0.34 0.00 0.00 178.44 179.56 2npb h LYS 23 N -1.00 -0.80 -0.93 1.25 3.11 0.11 -2.98 116.57 115.33 2npb h LYS 23 Ca -0.19 0.05 0.23 0.00 -2.81 0.00 0.00 60.65 57.93 2npb h LYS 23 Cb 1.15 0.18 -0.17 0.00 -1.00 0.00 0.00 32.23 32.38 2npb h LYS 23 CO -0.12 -0.49 -0.08 -1.91 -2.81 0.00 0.00 179.45 174.04 2npb n GLU 24 N -5.35 -0.08 0.02 1.90 2.13 0.18 -0.95 120.64 118.50 2npb n GLU 24 Ca -0.11 1.41 -0.12 0.00 0.66 0.00 0.00 57.16 59.00 2npb n GLU 24 Cb 0.35 -2.19 -0.07 0.00 0.27 0.00 0.00 31.44 29.80 2npb n GLU 24 CO 0.00 0.00 0.00 -0.22 -0.41 0.00 0.00 177.13 176.50 2npb h LYS 25 N 0.00 0.05 0.22 5.31 1.63 -1.68 0.18 116.57 122.27 2npb h LYS 25 Ca 0.52 -0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 60.30 2npb h LYS 25 Cb 0.97 -0.01 0.00 0.00 -0.60 0.00 0.00 32.23 32.59 2npb h LYS 25 CO -0.91 0.07 -0.11 -0.07 -3.45 0.00 0.00 179.45 174.99 2npb h LEU 26 N 0.01 -0.25 -1.57 5.20 4.07 -1.26 -1.61 115.31 119.90 2npb h LEU 26 Ca 0.01 -0.09 0.01 0.00 0.08 0.00 0.00 57.88 57.89 2npb h LEU 26 Cb 0.04 0.07 -0.02 0.00 1.08 0.00 0.00 40.66 41.82 2npb h LEU 26 CO -0.00 -0.06 0.31 -0.33 -1.08 0.00 0.00 178.44 177.27 2npb h GLU 27 N -0.44 0.57 -0.51 1.13 5.08 -1.05 -0.48 114.58 118.88 2npb h GLU 27 Ca -0.03 -0.03 -0.13 0.00 -1.00 0.00 0.00 59.36 58.17 2npb h GLU 27 Cb 0.33 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.44 2npb h GLU 27 CO 0.05 0.38 -0.17 1.25 -1.00 0.00 0.00 179.01 179.51 2npb h HIS 28 N 0.59 1.15 -0.25 4.33 2.76 -0.52 -1.95 115.15 121.25 2npb h HIS 28 Ca 0.17 -0.26 -0.14 0.00 -2.20 0.00 0.00 60.37 57.94 2npb h HIS 28 Cb -0.01 -0.27 -0.01 0.00 1.55 0.00 0.00 27.41 28.66 2npb h HIS 28 CO -0.00 1.09 -0.43 0.93 -1.30 0.00 0.00 177.93 178.22 2npb h GLU 29 N 0.88 0.62 -1.36 5.26 5.08 -0.85 -3.39 114.58 120.83 2npb h GLU 29 Ca 0.12 -0.33 -0.47 0.00 -1.00 0.00 0.00 59.36 57.68 2npb h GLU 29 Cb 0.75 0.01 -0.41 0.00 0.50 0.00 0.00 28.75 29.60 2npb h GLU 29 CO 0.06 0.93 -0.99 1.19 -1.00 0.00 0.00 179.01 179.20 2npb n PHE 30 N -4.02 2.12 -1.82 4.33 3.72 -0.23 -5.10 117.46 116.45 2npb n PHE 30 Ca -0.02 -3.07 -0.42 0.00 -0.05 0.00 0.00 57.45 53.89 2npb n PHE 30 Cb 0.54 -0.28 -0.03 0.00 -0.94 0.00 0.00 39.48 38.77 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 -3.25 4.17 0.00 -1.08 0.04 -0.73 -2.13 135.00 132.02 2npb s PRO 31 Ca 0.37 2.48 0.00 0.00 0.04 0.00 0.00 61.00 63.90 2npb s PRO 31 Cb 0.42 -3.25 0.00 0.00 0.04 0.00 0.00 34.50 31.70 2npb s PRO 31 CO -0.07 -0.71 0.00 0.41 0.04 0.00 0.00 177.00 176.67 2npb n GLY 32 N 3.94 0.00 0.02 0.56 0.00 -1.26 -4.64 105.19 103.82 2npb n GLY 32 Ca 0.15 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.27 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 -3.26 2.36 -0.00 0.00 1.02 -0.91 -0.74 118.68 117.14 2npb s LEU 34 Ca 0.08 -0.77 0.01 0.00 0.02 0.00 0.00 54.13 53.47 2npb s LEU 34 Cb 0.12 -1.01 -0.04 0.00 0.02 0.00 0.00 46.19 45.28 2npb s LEU 34 CO 0.35 0.08 0.01 -0.62 0.02 0.00 0.00 176.35 176.19 2npb s ASP 35 N -2.24 5.18 -0.25 2.29 2.15 0.07 -4.81 116.67 119.06 2npb s ASP 35 Ca 0.13 0.01 -0.03 0.00 0.43 0.00 0.00 52.55 53.09 2npb s ASP 35 Cb -0.09 -1.37 0.11 0.00 -0.30 0.00 0.00 42.92 41.27 2npb s ASP 35 CO 0.06 0.28 0.24 -0.63 -0.17 0.00 0.00 175.17 174.95 2npb s ILE 36 N -1.09 -0.32 0.63 4.11 1.01 -1.26 -0.86 121.20 123.43 2npb s ILE 36 Ca 0.20 -0.36 -0.03 0.00 0.00 0.00 0.00 60.65 60.45 2npb s ILE 36 Cb -0.12 -0.85 0.05 0.00 0.01 0.00 0.00 42.46 41.55 2npb s ILE 36 CO 0.10 -0.39 0.91 0.00 0.00 0.00 0.00 174.94 175.56 2npb s GLY 38 N -4.46 -0.54 -0.43 0.00 0.00 -1.26 -2.58 107.32 98.04 2npb s GLY 38 Ca 0.58 2.08 0.05 0.00 0.00 0.00 0.00 44.72 47.44 2npb s GLY 38 CO 0.42 1.81 1.15 1.18 0.00 0.00 0.00 173.10 177.67 2npb n GLU 39 N 2.84 3.44 -1.95 2.90 4.71 0.82 -4.88 120.64 128.51 2npb n GLU 39 Ca -0.15 -4.42 -0.29 0.00 -0.01 0.00 0.00 57.16 52.29 2npb n GLU 39 Cb 0.55 -2.26 -0.05 0.00 -1.01 0.00 0.00 31.44 28.68 2npb n GLU 39 CO 0.00 0.00 0.00 0.20 0.09 0.00 0.00 177.13 177.42 2npb s GLY 40 N -3.48 0.01 0.09 0.62 0.00 -1.26 -3.64 107.32 99.67 2npb s GLY 40 Ca 0.49 -1.05 0.06 0.00 0.00 0.00 0.00 44.72 44.21 2npb s GLY 40 CO -0.16 3.61 -0.16 -0.51 0.00 0.00 0.00 173.10 175.89 2npb s THR 41 N 10.55 1.31 0.95 0.90 -4.23 -0.49 -4.43 115.64 120.20 2npb s THR 41 Ca 0.74 -1.46 -0.12 0.00 -1.18 0.00 0.00 61.69 59.67 2npb s THR 41 Cb -0.10 -1.30 0.16 0.00 1.34 0.00 0.00 72.50 72.60 2npb s THR 41 CO 0.09 -0.23 1.09 -2.16 -0.54 0.00 0.00 174.62 172.87 2npb s PRO 42 N -2.00 0.79 7.40 3.99 0.04 -1.26 -0.40 135.00 143.56 2npb s PRO 42 Ca 0.03 0.77 0.00 0.00 0.04 0.00 0.00 61.00 61.83 2npb s PRO 42 Cb -0.09 -1.76 0.00 0.00 0.04 0.00 0.00 34.50 32.69 2npb s PRO 42 CO 0.03 -2.55 0.00 0.94 0.04 0.00 0.00 177.00 175.46 2npb n GLN 43 N -4.09 0.00 0.00 4.56 7.27 -1.26 -4.87 117.38 118.99 2npb n GLN 43 Ca 0.06 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.13 2npb n GLN 43 Cb 0.56 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.21 2npb n GLN 43 CO 0.00 0.00 0.00 1.33 0.07 0.00 0.00 177.06 178.46 2npb n VAL 44 N 0.00 0.00 0.00 1.69 0.24 -1.26 -4.63 118.33 114.37 2npb n VAL 44 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 2npb n VAL 44 Cb 0.00 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.37 2npb n VAL 44 CO 0.00 0.00 0.00 0.41 -2.14 0.00 0.00 176.83 175.10 2npb n THR 45 N 0.00 0.00 0.14 3.34 -1.04 -1.26 -4.87 114.28 110.59 2npb n THR 45 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 2npb n THR 45 Cb 0.00 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 2npb n THR 45 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2npb n GLY 46 N 1.78 0.73 3.70 3.41 0.00 -1.26 -3.85 105.19 109.69 2npb n GLY 46 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 2npb n GLY 46 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2npb s PHE 47 N 0.96 2.19 -0.38 1.61 0.08 -1.26 -4.63 117.98 116.55 2npb s PHE 47 Ca 0.00 1.36 0.06 0.00 0.12 0.00 0.00 56.93 58.46 2npb s PHE 47 Cb 0.00 -3.16 0.17 0.00 -0.57 0.00 0.00 43.02 39.46 2npb s PHE 47 CO 0.00 -2.48 0.53 0.12 -0.10 0.00 0.00 175.22 173.28 2npb s PHE 48 N -2.86 -1.21 -0.25 0.36 2.19 -1.24 -3.47 117.98 111.51 2npb s PHE 48 Ca 0.64 -0.05 0.02 0.00 0.33 0.00 0.00 56.93 57.88 2npb s PHE 48 Cb -0.19 0.04 0.05 0.00 -1.31 0.00 0.00 43.02 41.62 2npb s PHE 48 CO 0.58 -1.09 -0.12 -1.21 1.83 0.00 0.00 175.22 175.20 2npb s GLU 49 N 1.82 2.38 -0.23 10.12 0.41 0.12 -2.06 118.70 131.26 2npb s GLU 49 Ca 0.15 -1.25 -0.10 0.00 -0.41 0.00 0.00 54.97 53.36 2npb s GLU 49 Cb -0.09 -2.84 -0.05 0.00 -1.78 0.00 0.00 34.13 29.37 2npb s GLU 49 CO -0.09 -0.51 0.14 0.08 -0.49 0.00 0.00 175.26 174.39 2npb s VAL 50 N 1.14 5.23 0.01 2.63 1.01 -0.54 -1.64 120.40 128.23 2npb s VAL 50 Ca -0.06 0.13 0.06 0.00 0.00 0.00 0.00 61.98 62.11 2npb s VAL 50 Cb -0.19 -3.42 -0.02 0.00 0.00 0.00 0.00 36.38 32.75 2npb s VAL 50 CO -0.06 0.37 -0.18 -0.89 0.00 0.00 0.00 175.10 174.34 2npb s THR 51 N 0.92 1.44 -0.03 3.92 2.01 -0.41 -0.85 115.64 122.63 2npb s THR 51 Ca 0.07 -0.94 0.01 0.00 0.31 0.00 0.00 61.69 61.14 2npb s THR 51 Cb -0.13 -1.23 0.02 0.00 0.01 0.00 0.00 72.50 71.16 2npb s THR 51 CO 0.03 0.27 -0.04 0.54 -0.69 0.00 0.00 174.62 174.73 2npb s VAL 52 N -0.61 0.47 -0.88 3.82 0.11 0.14 -0.53 120.40 122.91 2npb s VAL 52 Ca 0.06 -0.13 -0.06 0.00 -2.93 0.00 0.00 61.98 58.92 2npb s VAL 52 Cb -0.08 -0.49 0.06 0.00 -1.53 0.00 0.00 36.38 34.34 2npb s VAL 52 CO 0.00 0.19 0.24 0.00 -3.33 0.00 0.00 175.10 172.21 2npb n ALA 53 N 3.78 -1.00 -1.04 1.54 0.00 0.29 -0.29 120.51 123.79 2npb n ALA 53 Ca -0.23 0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.23 2npb n ALA 53 Cb 0.52 -1.71 0.00 0.00 0.00 0.00 0.00 19.45 18.26 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 -0.85 0.41 2.90 0.00 0.00 -1.26 -5.06 105.19 101.33 2npb n GLY 54 Ca -0.02 -1.03 -0.29 0.00 0.00 0.00 0.00 46.02 44.69 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 -2.08 1.46 0.35 1.61 -0.14 0.60 -5.13 119.74 116.41 2npb s LYS 55 Ca 0.00 -0.60 -0.29 0.00 -1.36 0.00 0.00 55.97 53.72 2npb s LYS 55 Cb 0.00 -2.13 -0.11 0.00 -1.68 0.00 0.00 37.83 33.92 2npb s LYS 55 CO 0.00 -0.47 1.41 -1.17 -0.76 0.00 0.00 175.35 174.37 2npb s LEU 56 N 1.59 4.37 0.00 3.17 0.20 -1.26 -0.68 118.68 126.07 2npb s LEU 56 Ca -0.00 2.87 0.00 0.00 0.69 0.00 0.00 54.13 57.69 2npb s LEU 56 Cb -0.16 -3.66 0.00 0.00 -0.43 0.00 0.00 46.19 41.94 2npb s LEU 56 CO -0.08 -0.73 0.00 0.52 -0.29 0.00 0.00 176.35 175.78 2npb n VAL 57 N 0.80 0.00 -4.10 1.68 0.31 -0.03 -4.93 118.33 112.06 2npb n VAL 57 Ca 0.01 0.00 -0.13 0.00 -0.01 0.00 0.00 64.34 64.21 2npb n VAL 57 Cb 0.40 -0.05 -0.11 0.00 -0.91 0.00 0.00 33.84 33.17 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 -1.57 0.79 -0.25 3.52 5.65 -1.14 -4.99 115.29 117.30 2npb s HIS 58 Ca 0.00 -0.58 -0.04 0.00 0.25 0.00 0.00 55.06 54.69 2npb s HIS 58 Cb 0.00 -0.46 0.14 0.00 -1.18 0.00 0.00 32.58 31.07 2npb s HIS 58 CO 0.00 -0.07 0.47 0.45 -0.65 0.00 0.00 174.74 174.93 2npb s SER 59 N -1.92 -0.41 0.39 9.88 0.15 -1.25 -1.47 113.70 119.07 2npb s SER 59 Ca -0.04 0.69 0.16 0.00 0.70 0.00 0.00 55.95 57.46 2npb s SER 59 Cb -0.07 1.54 0.81 0.00 -1.71 0.00 0.00 66.02 66.60 2npb s SER 59 CO -0.00 -0.27 1.84 0.11 1.20 0.00 0.00 173.24 176.12 2npb h LYS 60 N 8.12 0.00 -0.14 5.44 1.79 -1.76 -1.24 116.57 128.78 2npb h LYS 60 Ca -0.19 0.00 0.05 0.00 -2.18 0.00 0.00 60.65 58.32 2npb h LYS 60 Cb 1.14 0.00 -0.06 0.00 -1.58 0.00 0.00 32.23 31.73 2npb h LYS 60 CO 0.22 0.34 -0.32 -0.22 -1.08 0.00 0.00 179.45 178.38 2npb h LYS 61 N 0.00 -0.38 0.00 3.15 3.64 -1.84 -1.61 116.57 119.53 2npb h LYS 61 Ca -0.00 0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.40 2npb h LYS 61 Cb 0.66 0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.57 2npb h LYS 61 CO 0.04 -0.25 0.00 2.89 -2.27 0.00 0.00 179.45 179.86 2npb n ARG 62 N -5.41 0.59 -2.38 1.90 -4.01 -1.24 -4.90 116.66 101.22 2npb n ARG 62 Ca -0.03 0.02 -0.05 0.00 -1.04 0.00 0.00 57.85 56.75 2npb n ARG 62 Cb 0.33 -1.50 0.01 0.00 -3.04 0.00 0.00 32.46 28.25 2npb n ARG 62 CO 0.00 0.00 0.00 0.41 -3.04 0.00 0.00 177.63 175.00 2npb n GLY 63 N 0.82 0.34 0.23 2.89 0.00 -0.61 -4.94 105.19 103.93 2npb n GLY 63 Ca 0.16 -0.58 0.06 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.27 0.00 -3.99 1.61 3.58 -1.44 -3.50 116.42 112.40 2npb h ASP 64 Ca -0.13 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.32 2npb h ASP 64 Cb 1.09 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.14 2npb h ASP 64 CO 0.14 0.14 -0.20 0.61 -2.88 0.00 0.00 179.24 177.05 2npb n GLY 65 N -1.15 -3.20 0.00 -0.78 0.00 -1.26 -5.01 105.19 93.80 2npb n GLY 65 Ca -0.03 -1.14 0.00 0.00 0.00 0.00 0.00 46.02 44.86 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 -1.35 -1.27 -1.43 1.61 4.01 -1.26 -4.74 117.16 112.73 2npb n TYR 66 Ca 0.00 0.00 -0.40 0.00 -0.16 0.00 0.00 57.90 57.34 2npb n TYR 66 Cb 0.05 0.00 -0.05 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 -1.55 1.97 0.29 -0.72 0.24 -1.26 -4.60 118.33 112.70 2npb n VAL 67 Ca 0.00 -1.82 0.13 0.00 -2.04 0.00 0.00 64.34 60.61 2npb n VAL 67 Cb 0.00 -2.30 0.27 0.00 -1.47 0.00 0.00 33.84 30.34 2npb n VAL 67 CO 0.00 0.00 0.00 0.44 -2.14 0.00 0.00 176.83 175.13 2npb h ASP 68 N 8.23 0.00 -5.34 -1.34 3.32 -1.92 -3.46 116.42 115.90 2npb h ASP 68 Ca 0.38 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 57.31 2npb h ASP 68 Cb 0.74 0.00 -0.11 0.00 0.22 0.00 0.00 39.33 40.17 2npb h ASP 68 CO 1.77 0.00 -0.30 0.42 -1.72 0.00 0.00 179.24 179.42 2npb s THR 69 N -3.25 0.01 0.21 0.35 -4.23 -1.26 -5.03 115.64 102.44 2npb s THR 69 Ca 0.07 -1.57 -0.10 0.00 -1.18 0.00 0.00 61.69 58.91 2npb s THR 69 Cb 0.07 -2.22 0.13 0.00 1.34 0.00 0.00 72.50 71.82 2npb s THR 69 CO 0.64 -0.06 1.78 -0.33 -0.54 0.00 0.00 174.62 176.11 2npb h GLU 70 N 2.41 0.53 -0.65 3.99 4.39 -1.99 0.02 114.58 123.28 2npb h GLU 70 Ca -0.30 -0.03 -0.02 0.00 0.34 0.00 0.00 59.36 59.35 2npb h GLU 70 Cb 1.25 -0.12 -0.03 0.00 -0.10 0.00 0.00 28.75 29.74 2npb h GLU 70 CO 0.43 0.35 0.31 1.03 -1.16 0.00 0.00 179.01 179.97 2npb h SER 71 N 0.55 0.84 -0.22 1.42 0.87 -1.98 0.99 113.55 116.01 2npb h SER 71 Ca 0.29 -0.09 -0.03 0.00 -1.23 0.00 0.00 61.79 60.74 2npb h SER 71 Cb 0.26 -0.21 -0.01 0.00 -0.44 0.00 0.00 62.40 62.00 2npb h SER 71 CO -0.23 0.71 0.02 0.11 -0.53 0.00 0.00 176.83 176.91 2npb h LYS 72 N 0.92 0.37 0.01 2.24 1.79 -1.80 -2.61 116.57 117.50 2npb h LYS 72 Ca 0.23 -0.11 0.02 0.00 -2.18 0.00 0.00 60.65 58.61 2npb h LYS 72 Cb 0.10 -0.04 -0.03 0.00 -1.58 0.00 0.00 32.23 30.68 2npb h LYS 72 CO -0.03 0.54 -0.16 0.35 -1.08 0.00 0.00 179.45 179.07 2npb h PHE 73 N 0.15 -0.41 -0.05 -1.35 3.57 -0.60 -3.09 116.94 115.16 2npb h PHE 73 Ca 0.06 0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.59 2npb h PHE 73 Cb 0.36 0.18 -0.00 0.00 2.79 0.00 0.00 35.95 39.28 2npb h PHE 73 CO 0.03 -0.23 0.05 0.00 -2.23 0.00 0.00 178.31 175.92 2npb h ARG 74 N -0.27 0.00 -0.89 1.11 -0.00 -0.73 -0.61 114.38 113.00 2npb h ARG 74 Ca 0.05 0.00 -0.02 0.00 -0.50 0.00 0.00 59.98 59.51 2npb h ARG 74 Cb 0.33 0.00 -0.04 0.00 0.00 0.00 0.00 29.97 30.26 2npb h ARG 74 CO -0.14 0.00 0.49 -0.22 0.00 0.00 0.00 179.97 180.10 2npb h LYS 75 N 0.00 1.23 0.01 0.04 1.63 -1.37 0.38 116.57 118.49 2npb h LYS 75 Ca 0.02 -0.14 -0.02 0.00 -0.85 0.00 0.00 60.65 59.66 2npb h LYS 75 Cb 0.12 -0.24 0.00 0.00 -0.60 0.00 0.00 32.23 31.50 2npb h LYS 75 CO -0.00 0.90 -0.09 1.25 -3.45 0.00 0.00 179.45 178.06 2npb h LEU 76 N 1.24 0.07 -0.75 5.20 5.85 -1.24 -3.16 115.31 122.51 2npb h LEU 76 Ca 0.31 -0.85 0.15 0.00 0.84 0.00 0.00 57.88 58.33 2npb h LEU 76 Cb 0.02 -0.02 -0.10 0.00 0.37 0.00 0.00 40.66 40.93 2npb h LEU 76 CO -0.05 0.91 0.27 0.58 -0.34 0.00 0.00 178.44 179.82 2npb h VAL 77 N -0.77 0.62 -0.76 1.05 2.07 -1.12 0.07 116.25 117.40 2npb h VAL 77 Ca -0.01 -0.14 -0.04 0.00 0.82 0.00 0.00 66.70 67.33 2npb h VAL 77 Cb 0.93 0.18 -0.03 0.00 -1.52 0.00 0.00 31.29 30.85 2npb h VAL 77 CO 0.02 0.07 0.32 0.74 0.02 0.00 0.00 177.57 178.74 2npb h THR 78 N 0.40 1.25 0.01 2.57 2.02 -1.02 0.12 112.91 118.26 2npb h THR 78 Ca 0.42 -0.77 -0.21 0.00 0.77 0.00 0.00 66.41 66.62 2npb h THR 78 Cb 0.66 0.33 -0.01 0.00 -1.74 0.00 0.00 68.15 67.40 2npb h THR 78 CO -0.43 0.32 -0.93 0.00 0.37 0.00 0.00 175.52 174.85 2npb h ALA 79 N 1.17 0.45 -0.04 6.16 0.00 -1.07 -1.96 119.26 123.96 2npb h ALA 79 Ca 0.26 -0.75 -0.22 0.00 0.00 0.00 0.00 54.91 54.20 2npb h ALA 79 Cb 0.18 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 17.92 2npb h ALA 79 CO -0.02 0.92 -0.89 0.82 0.00 0.00 0.00 179.25 180.08 2npb h ILE 80 N 0.12 1.36 -0.21 0.00 1.08 -0.95 -0.75 117.51 118.15 2npb h ILE 80 Ca -0.06 -2.27 -0.03 0.00 -0.39 0.00 0.00 64.86 62.11 2npb h ILE 80 Cb 1.57 2.28 -0.01 0.00 -3.07 0.00 0.00 36.82 37.59 2npb h ILE 80 CO 0.14 0.69 0.01 0.50 -0.69 0.00 0.00 178.15 178.80 2npb h LYS 81 N 0.32 0.36 -0.12 2.37 1.63 -0.94 0.88 116.57 121.08 2npb h LYS 81 Ca -0.07 -0.11 -0.01 0.00 -0.85 0.00 0.00 60.65 59.61 2npb h LYS 81 Cb 1.51 -0.03 -0.01 0.00 -0.60 0.00 0.00 32.23 33.10 2npb h LYS 81 CO 0.16 0.55 0.04 0.00 -3.45 0.00 0.00 179.45 176.76 2npb h ALA 82 N 0.80 0.15 -0.46 5.00 0.00 -1.39 -2.44 119.26 120.92 2npb h ALA 82 Ca 0.06 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 2npb h ALA 82 Cb 0.38 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 2npb h ALA 82 CO 0.01 -0.25 0.19 0.00 0.00 0.00 0.00 179.25 179.20 2npb h ALA 83 N 0.87 1.48 0.31 0.00 0.00 -1.03 -2.27 119.26 118.62 2npb h ALA 83 Ca 0.04 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 2npb h ALA 83 Cb 0.19 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2npb h ALA 83 CO -0.00 0.40 -0.15 1.25 0.00 0.00 0.00 179.25 180.75 2npb h LEU 84 N 0.64 -0.35 -2.59 0.00 7.12 -0.66 0.26 115.31 119.72 2npb h LEU 84 Ca 0.16 -0.03 -0.00 0.00 0.13 0.00 0.00 57.88 58.14 2npb h LEU 84 Cb 0.12 0.09 -0.00 0.00 -0.53 0.00 0.00 40.66 40.34 2npb h LEU 84 CO -0.02 -0.20 -0.01 0.00 -0.13 0.00 0.00 178.44 178.09 2npb h ALA 85 N 0.19 1.04 0.12 1.25 0.00 -1.23 0.07 119.26 120.71 2npb h ALA 85 Ca -0.04 -0.01 -0.21 0.00 0.00 0.00 0.00 54.91 54.65 2npb h ALA 85 Cb 0.36 -0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.16 2npb h ALA 85 CO 0.07 0.01 -0.98 0.37 0.00 0.00 0.00 179.25 178.72 2npb h GLN 86 N 0.00 0.26 0.00 0.00 -0.00 -0.98 -3.34 115.11 111.06 2npb h GLN 86 Ca -0.00 -0.45 -0.08 0.00 -0.00 0.00 0.00 58.65 58.12 2npb h GLN 86 Cb 0.13 0.17 -0.01 0.00 0.00 0.00 0.00 27.48 27.76 2npb h GLN 86 CO 0.00 1.21 -0.37 0.00 0.00 0.00 0.00 178.83 179.68