#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 -0.78 0.28 3.04 0.00 -1.26 -4.46 121.76 118.59 2npb s ALA 2 Ca 0.00 -0.58 0.06 0.00 0.00 0.00 0.00 51.96 51.44 2npb s ALA 2 Cb 0.00 -3.05 -0.02 0.00 0.00 0.00 0.00 23.12 20.05 2npb s ALA 2 CO 0.00 -4.43 0.39 -1.17 0.00 0.00 0.00 175.76 170.55 2npb s LEU 3 N -7.70 4.11 -0.04 0.00 1.98 -0.76 -4.95 118.68 111.32 2npb s LEU 3 Ca 0.69 -0.08 0.03 0.00 -2.89 0.00 0.00 54.13 51.87 2npb s LEU 3 Cb -0.18 -2.75 0.00 0.00 0.66 0.00 0.00 46.19 43.93 2npb s LEU 3 CO 0.61 -0.22 -0.13 0.00 -1.89 0.00 0.00 176.35 174.71 2npb s ALA 4 N -2.08 1.25 0.05 5.97 0.00 -1.26 -0.75 121.76 124.93 2npb s ALA 4 Ca 0.38 -0.50 0.06 0.00 0.00 0.00 0.00 51.96 51.91 2npb s ALA 4 Cb -0.09 -0.47 -0.02 0.00 0.00 0.00 0.00 23.12 22.54 2npb s ALA 4 CO 0.29 0.19 -0.17 0.08 0.00 0.00 0.00 175.76 176.15 2npb s VAL 5 N 0.28 1.36 0.12 0.00 1.01 0.89 -0.98 120.40 123.08 2npb s VAL 5 Ca -0.07 -1.14 0.03 0.00 0.00 0.00 0.00 61.98 60.80 2npb s VAL 5 Cb -0.12 -1.22 -0.04 0.00 0.00 0.00 0.00 36.38 35.00 2npb s VAL 5 CO 0.02 0.05 -0.09 -0.13 0.00 0.00 0.00 175.10 174.95 2npb s ARG 6 N -1.27 0.95 -0.16 2.72 1.81 0.32 -1.16 118.95 122.16 2npb s ARG 6 Ca 0.04 -1.37 -0.04 0.00 -1.72 0.00 0.00 55.73 52.63 2npb s ARG 6 Cb -0.09 -0.45 0.08 0.00 -0.45 0.00 0.00 34.95 34.04 2npb s ARG 6 CO 0.02 0.04 0.23 0.08 -0.68 0.00 0.00 175.30 174.99 2npb s VAL 7 N -3.34 -0.36 0.16 3.52 1.01 -0.94 -1.62 120.40 118.84 2npb s VAL 7 Ca 0.13 0.09 -0.20 0.00 0.00 0.00 0.00 61.98 62.00 2npb s VAL 7 Cb 0.03 -0.55 -0.08 0.00 0.00 0.00 0.00 36.38 35.78 2npb s VAL 7 CO -0.02 -0.04 0.68 0.54 0.00 0.00 0.00 175.10 176.26 2npb s VAL 8 N 2.36 4.60 0.33 2.92 0.11 -0.86 -0.27 120.40 129.59 2npb s VAL 8 Ca 0.05 1.31 -0.11 0.00 -2.93 0.00 0.00 61.98 60.30 2npb s VAL 8 Cb -0.14 -3.92 0.02 0.00 -1.53 0.00 0.00 36.38 30.81 2npb s VAL 8 CO -0.10 0.37 0.61 -0.47 -3.33 0.00 0.00 175.10 172.18 2npb s TYR 9 N -1.33 0.46 -0.49 1.54 5.04 -0.94 -2.07 117.35 119.57 2npb s TYR 9 Ca 0.37 -0.90 -0.23 0.00 -2.44 0.00 0.00 57.07 53.87 2npb s TYR 9 Cb -0.19 0.38 0.03 0.00 0.35 0.00 0.00 41.96 42.54 2npb s TYR 9 CO 0.21 -1.27 0.85 0.45 -1.34 0.00 0.00 175.55 174.45 2npb s SER 10 N -3.10 6.38 0.00 4.32 0.15 -1.26 -0.66 113.70 119.53 2npb s SER 10 Ca 0.22 -0.23 0.00 0.00 0.70 0.00 0.00 55.95 56.64 2npb s SER 10 Cb -0.03 -2.40 0.00 0.00 -1.71 0.00 0.00 66.02 61.88 2npb s SER 10 CO 0.14 -1.04 0.31 0.61 1.20 0.00 0.00 173.24 174.46 2npb n GLY 11 N 5.04 0.08 0.08 9.45 0.00 0.04 -4.59 105.19 115.28 2npb n GLY 11 Ca 0.02 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.93 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 1.62 0.13 -2.19 4.61 0.00 -1.90 -3.45 119.26 118.09 2npb h ALA 12 Ca 0.00 -0.05 -0.08 0.00 0.00 0.00 0.00 54.91 54.78 2npb h ALA 12 Cb 0.10 -0.04 -0.20 0.00 0.00 0.00 0.00 17.79 17.65 2npb h ALA 12 CO 0.00 -0.34 0.03 0.00 0.00 0.00 0.00 179.25 178.94 2npb n GLY 14 N 1.16 0.00 0.28 0.00 0.00 -1.26 -4.84 105.19 100.53 2npb n GLY 14 Ca -0.19 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.76 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 0.00 0.92 -0.21 1.61 -0.00 -1.92 -3.31 116.97 114.06 2npb h TYR 15 Ca 0.00 -0.16 0.03 0.00 0.00 0.00 0.00 58.73 58.60 2npb h TYR 15 Cb 0.00 -0.24 -0.07 0.00 0.00 0.00 0.00 36.73 36.42 2npb h TYR 15 CO 0.00 0.88 -0.53 0.87 -0.00 0.00 0.00 178.16 179.37 2npb h LYS 16 N 0.76 -0.50 -0.18 0.10 1.79 -1.95 0.23 116.57 116.83 2npb h LYS 16 Ca 0.13 0.03 -0.07 0.00 -2.18 0.00 0.00 60.65 58.56 2npb h LYS 16 Cb 0.57 0.11 -0.01 0.00 -1.58 0.00 0.00 32.23 31.32 2npb h LYS 16 CO 0.03 -0.33 -0.22 -1.00 -1.08 0.00 0.00 179.45 176.86 2npb h PRO 17 N -0.52 0.32 -0.82 3.15 0.13 -1.99 -0.75 132.00 131.52 2npb h PRO 17 Ca 0.04 -0.10 -0.03 0.00 -0.87 0.00 0.00 66.00 65.04 2npb h PRO 17 Cb 0.64 -0.03 -0.04 0.00 0.13 0.00 0.00 31.00 31.70 2npb h PRO 17 CO -0.47 0.53 0.39 -0.22 -0.23 0.00 0.00 178.00 177.99 2npb h LYS 18 N 0.29 1.18 0.89 0.86 3.11 -1.43 0.71 116.57 122.18 2npb h LYS 18 Ca 0.05 -0.18 -0.04 0.00 -2.81 0.00 0.00 60.65 57.67 2npb h LYS 18 Cb 0.55 -0.21 0.01 0.00 -1.00 0.00 0.00 32.23 31.57 2npb h LYS 18 CO 0.04 0.92 -0.46 1.88 -2.81 0.00 0.00 179.45 179.01 2npb h TYR 19 N 1.17 -1.21 -0.55 1.91 -1.99 -0.36 -3.21 116.97 112.73 2npb h TYR 19 Ca 0.28 -0.02 0.08 0.00 2.00 0.00 0.00 58.73 61.07 2npb h TYR 19 Cb 0.13 0.41 -0.06 0.00 2.00 0.00 0.00 36.73 39.20 2npb h TYR 19 CO 0.01 -0.72 0.21 -0.07 -0.00 0.00 0.00 178.16 177.59 2npb h LEU 20 N -1.24 0.22 -1.16 3.88 3.38 -0.96 -0.54 115.31 118.89 2npb h LEU 20 Ca -0.12 0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.92 2npb h LEU 20 Cb 0.96 0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.75 2npb h LEU 20 CO 0.18 0.14 0.00 1.56 0.09 0.00 0.00 178.44 180.41 2npb h GLN 21 N 0.39 0.00 0.01 1.13 1.08 -0.94 0.58 115.11 117.37 2npb h GLN 21 Ca 0.27 0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 57.45 2npb h GLN 21 Cb 0.30 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.73 2npb h GLN 21 CO -0.27 0.00 -0.08 1.25 -0.95 0.00 0.00 178.83 178.79 2npb h LEU 22 N 0.00 0.04 0.77 1.46 5.85 -1.43 -3.38 115.31 118.62 2npb h LEU 22 Ca 0.00 -0.99 -0.04 0.00 0.84 0.00 0.00 57.88 57.69 2npb h LEU 22 Cb 0.36 -0.01 0.01 0.00 0.37 0.00 0.00 40.66 41.38 2npb h LEU 22 CO 0.00 1.03 -0.37 0.11 -0.34 0.00 0.00 178.44 178.87 2npb h LYS 23 N -0.93 -0.99 -0.96 1.25 1.57 0.71 -3.01 116.57 114.20 2npb h LYS 23 Ca -0.01 0.07 0.30 0.00 -1.87 0.00 0.00 60.65 59.14 2npb h LYS 23 Cb 1.06 0.23 -0.15 0.00 0.08 0.00 0.00 32.23 33.44 2npb h LYS 23 CO 0.01 -0.66 0.40 1.49 -0.57 0.00 0.00 179.45 180.12 2npb h GLU 24 N -1.18 0.20 0.35 3.15 4.81 -0.22 -0.32 114.58 121.37 2npb h GLU 24 Ca -0.11 -0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.10 2npb h GLU 24 Cb 0.79 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 30.13 2npb h GLU 24 CO 0.17 0.13 -0.17 -0.22 -0.73 0.00 0.00 179.01 178.20 2npb h LYS 25 N 0.21 -0.46 -0.44 1.92 1.63 -1.72 0.17 116.57 117.88 2npb h LYS 25 Ca 0.68 0.03 0.05 0.00 -0.85 0.00 0.00 60.65 60.57 2npb h LYS 25 Cb 1.54 0.10 -0.05 0.00 -0.60 0.00 0.00 32.23 33.22 2npb h LYS 25 CO -0.68 -0.20 0.16 1.25 -3.45 0.00 0.00 179.45 176.53 2npb h LEU 26 N -0.67 0.17 -1.30 5.20 5.85 -1.16 0.17 115.31 123.56 2npb h LEU 26 Ca -0.05 0.05 -0.04 0.00 0.84 0.00 0.00 57.88 58.68 2npb h LEU 26 Cb 0.47 0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.52 2npb h LEU 26 CO 0.08 0.13 0.05 -0.33 -0.34 0.00 0.00 178.44 178.02 2npb h GLU 27 N 0.33 0.52 -0.50 1.25 5.08 -1.12 -1.34 114.58 118.79 2npb h GLU 27 Ca 0.21 -0.09 -0.09 0.00 -1.00 0.00 0.00 59.36 58.38 2npb h GLU 27 Cb 0.20 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.34 2npb h GLU 27 CO -0.21 0.51 -0.04 1.25 -1.00 0.00 0.00 179.01 179.53 2npb h HIS 28 N 0.50 0.99 -0.18 4.33 2.76 0.29 -2.40 115.15 121.45 2npb h HIS 28 Ca 0.11 -0.19 -0.10 0.00 -2.20 0.00 0.00 60.37 58.00 2npb h HIS 28 Cb 0.26 -0.25 -0.01 0.00 1.55 0.00 0.00 27.41 28.95 2npb h HIS 28 CO 0.01 0.94 -0.33 0.93 -1.30 0.00 0.00 177.93 178.18 2npb h GLU 29 N 0.76 0.36 -1.02 5.26 3.07 -0.46 -3.37 114.58 119.18 2npb h GLU 29 Ca 0.14 -0.15 -0.38 0.00 -0.50 0.00 0.00 59.36 58.46 2npb h GLU 29 Cb 0.57 -0.01 -0.40 0.00 -0.84 0.00 0.00 28.75 28.06 2npb h GLU 29 CO 0.03 0.65 -1.12 1.19 -1.40 0.00 0.00 179.01 178.36 2npb n PHE 30 N -4.08 1.49 -1.84 4.33 3.72 -0.53 -5.09 117.46 115.46 2npb n PHE 30 Ca -0.01 -2.77 -0.42 0.00 -0.05 0.00 0.00 57.45 54.20 2npb n PHE 30 Cb 0.44 -0.33 -0.03 0.00 -0.94 0.00 0.00 39.48 38.62 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 -3.24 4.17 0.00 -1.08 0.04 -0.90 -1.90 135.00 132.09 2npb s PRO 31 Ca 0.30 2.43 0.00 0.00 0.04 0.00 0.00 61.00 63.78 2npb s PRO 31 Cb 0.44 -3.62 0.00 0.00 0.04 0.00 0.00 34.50 31.36 2npb s PRO 31 CO 0.00 -0.78 0.00 0.41 0.04 0.00 0.00 177.00 176.67 2npb n GLY 32 N 4.10 0.06 0.00 0.56 0.00 -1.26 -4.70 105.19 103.96 2npb n GLY 32 Ca 0.17 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.30 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 -2.81 1.18 -0.02 0.00 1.43 -1.12 -1.82 118.68 115.52 2npb s LEU 34 Ca 0.16 -0.67 0.05 0.00 -1.03 0.00 0.00 54.13 52.63 2npb s LEU 34 Cb 0.15 1.17 -0.01 0.00 0.03 0.00 0.00 46.19 47.53 2npb s LEU 34 CO 0.38 -0.79 -0.16 -0.62 0.23 0.00 0.00 176.35 175.39 2npb s ASP 35 N -2.88 1.88 -0.05 2.29 2.15 0.07 -4.90 116.67 115.22 2npb s ASP 35 Ca 0.08 -0.29 0.01 0.00 0.43 0.00 0.00 52.55 52.77 2npb s ASP 35 Cb 0.04 -0.29 0.02 0.00 -0.30 0.00 0.00 42.92 42.40 2npb s ASP 35 CO -0.08 0.18 -0.05 -0.63 -0.17 0.00 0.00 175.17 174.42 2npb s ILE 36 N -0.26 0.62 0.42 4.11 1.09 -1.26 -0.07 121.20 125.85 2npb s ILE 36 Ca 0.04 -0.14 0.04 0.00 -1.10 0.00 0.00 60.65 59.48 2npb s ILE 36 Cb -0.07 -0.65 -0.04 0.00 -1.06 0.00 0.00 42.46 40.64 2npb s ILE 36 CO -0.00 0.25 0.05 0.00 -0.10 0.00 0.00 174.94 175.14 2npb s GLY 38 N -3.68 -0.39 -0.38 0.00 0.00 -1.26 -2.22 107.32 99.39 2npb s GLY 38 Ca 0.24 0.92 0.11 0.00 0.00 0.00 0.00 44.72 45.99 2npb s GLY 38 CO 0.12 0.22 0.69 1.18 0.00 0.00 0.00 173.10 175.31 2npb n GLU 39 N -0.40 0.95 -2.03 2.90 1.02 0.62 -4.94 120.64 118.76 2npb n GLU 39 Ca -0.06 -3.37 -0.28 0.00 -0.02 0.00 0.00 57.16 53.42 2npb n GLU 39 Cb 0.62 -1.62 -0.06 0.00 -0.02 0.00 0.00 31.44 30.35 2npb n GLU 39 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2npb n GLY 40 N 0.49 1.04 3.95 0.62 0.00 -1.26 -2.20 105.19 107.83 2npb n GLY 40 Ca 0.24 -0.69 -0.20 0.00 0.00 0.00 0.00 46.02 45.38 2npb n GLY 40 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2npb s THR 41 N 10.96 4.10 1.05 2.61 -4.23 0.16 -3.78 115.64 126.52 2npb s THR 41 Ca 0.68 -1.09 -0.17 0.00 -1.18 0.00 0.00 61.69 59.93 2npb s THR 41 Cb -0.00 -3.41 0.23 0.00 1.34 0.00 0.00 72.50 70.65 2npb s THR 41 CO 0.14 -0.19 1.21 -2.16 -0.54 0.00 0.00 174.62 173.08 2npb s PRO 42 N -4.10 -0.06 0.00 3.99 0.04 -1.26 -0.78 135.00 132.83 2npb s PRO 42 Ca 0.42 -0.17 0.00 0.00 0.04 0.00 0.00 61.00 61.30 2npb s PRO 42 Cb -0.09 -1.74 0.00 0.00 0.04 0.00 0.00 34.50 32.71 2npb s PRO 42 CO 0.30 -2.92 0.00 1.04 0.04 0.00 0.00 177.00 175.46 2npb n GLN 43 N -4.18 0.00 -2.42 4.56 1.13 -1.26 -4.93 117.38 110.28 2npb n GLN 43 Ca 0.13 0.00 -0.37 0.00 -1.94 0.00 0.00 57.00 54.82 2npb n GLN 43 Cb 0.59 -0.77 -0.03 0.00 0.11 0.00 0.00 30.24 30.14 2npb n GLN 43 CO 0.00 0.00 0.00 0.14 -1.44 0.00 0.00 177.06 175.76 2npb s VAL 44 N 0.00 3.43 -0.57 5.09 -7.23 -1.26 -5.03 120.40 114.84 2npb s VAL 44 Ca 0.00 1.13 0.04 0.00 -1.81 0.00 0.00 61.98 61.35 2npb s VAL 44 Cb 0.00 -3.60 0.14 0.00 0.56 0.00 0.00 36.38 33.48 2npb s VAL 44 CO 0.00 0.04 0.33 0.42 -0.31 0.00 0.00 175.10 175.58 2npb s THR 45 N -1.55 2.56 0.00 5.32 -4.23 -1.26 -4.45 115.64 112.02 2npb s THR 45 Ca 0.58 -3.54 0.00 0.00 -1.18 0.00 0.00 61.69 57.55 2npb s THR 45 Cb -0.26 -2.75 0.00 0.00 1.34 0.00 0.00 72.50 70.83 2npb s THR 45 CO 0.32 -0.87 0.00 0.61 -0.54 0.00 0.00 174.62 174.14 2npb n GLY 46 N 2.80 0.92 3.58 3.99 0.00 -1.26 -4.97 105.19 110.25 2npb n GLY 46 Ca 0.10 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.83 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 -3.72 1.97 -0.85 1.61 0.40 -1.26 -4.68 117.98 111.45 2npb s PHE 47 Ca 0.00 0.39 -0.22 0.00 -0.60 0.00 0.00 56.93 56.50 2npb s PHE 47 Cb 0.00 -4.05 0.08 0.00 0.51 0.00 0.00 43.02 39.56 2npb s PHE 47 CO 0.00 -1.35 1.17 0.12 0.70 0.00 0.00 175.22 175.86 2npb s PHE 48 N 10.44 2.76 -0.17 0.36 2.19 -1.26 -3.63 117.98 128.66 2npb s PHE 48 Ca 0.68 -0.86 0.00 0.00 0.33 0.00 0.00 56.93 57.08 2npb s PHE 48 Cb -0.02 -4.42 0.01 0.00 -1.31 0.00 0.00 43.02 37.28 2npb s PHE 48 CO 0.10 -1.71 -0.16 -1.21 1.83 0.00 0.00 175.22 174.07 2npb s GLU 49 N 3.97 3.13 -0.13 10.12 0.41 -0.88 -1.30 118.70 134.02 2npb s GLU 49 Ca 0.33 -0.77 0.00 0.00 -0.41 0.00 0.00 54.97 54.12 2npb s GLU 49 Cb -0.08 -2.64 -0.01 0.00 -1.78 0.00 0.00 34.13 29.62 2npb s GLU 49 CO -0.01 -0.11 -0.15 0.08 -0.49 0.00 0.00 175.26 174.58 2npb s VAL 50 N 1.11 2.88 -0.01 2.63 1.01 -0.14 -2.03 120.40 125.84 2npb s VAL 50 Ca 0.00 -0.72 0.04 0.00 0.00 0.00 0.00 61.98 61.30 2npb s VAL 50 Cb -0.14 -2.20 -0.01 0.00 0.00 0.00 0.00 36.38 34.03 2npb s VAL 50 CO -0.06 0.53 -0.12 -0.89 0.00 0.00 0.00 175.10 174.56 2npb s THR 51 N 0.43 0.97 -0.07 3.92 2.01 -0.64 -1.13 115.64 121.12 2npb s THR 51 Ca -0.11 -0.51 0.02 0.00 0.31 0.00 0.00 61.69 61.40 2npb s THR 51 Cb -0.16 -0.82 0.01 0.00 0.01 0.00 0.00 72.50 71.55 2npb s THR 51 CO 0.05 0.28 -0.13 0.54 -0.69 0.00 0.00 174.62 174.67 2npb s VAL 52 N -0.19 1.20 -1.43 3.82 0.11 -0.02 -0.53 120.40 123.37 2npb s VAL 52 Ca 0.03 -0.51 -0.16 0.00 -2.93 0.00 0.00 61.98 58.41 2npb s VAL 52 Cb -0.06 -1.10 0.15 0.00 -1.53 0.00 0.00 36.38 33.84 2npb s VAL 52 CO -0.00 0.37 0.52 0.00 -3.33 0.00 0.00 175.10 172.66 2npb n ALA 53 N 3.90 -1.16 -2.28 1.54 0.00 -0.15 -0.31 120.51 122.06 2npb n ALA 53 Ca -0.22 -0.08 -0.10 0.00 0.00 0.00 0.00 53.44 53.04 2npb n ALA 53 Cb 0.52 -2.45 -0.00 0.00 0.00 0.00 0.00 19.45 17.52 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 -1.06 -0.02 2.97 0.00 0.00 -1.26 -5.03 105.19 100.80 2npb n GLY 54 Ca 0.07 -0.44 -0.31 0.00 0.00 0.00 0.00 46.02 45.34 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 -4.62 1.77 0.16 1.61 -0.14 0.58 -5.12 119.74 113.98 2npb s LYS 55 Ca 0.03 -1.11 -0.32 0.00 -1.36 0.00 0.00 55.97 53.21 2npb s LYS 55 Cb -0.01 -2.68 -0.12 0.00 -1.68 0.00 0.00 37.83 33.34 2npb s LYS 55 CO 0.04 -0.60 1.72 -0.11 -0.76 0.00 0.00 175.35 175.64 2npb n LEU 56 N 4.60 3.76 0.00 3.17 -0.00 -1.26 -0.84 117.00 126.44 2npb n LEU 56 Ca -0.12 1.04 0.00 0.00 -0.00 0.00 0.00 56.01 56.93 2npb n LEU 56 Cb 0.43 -1.52 0.00 0.00 -0.00 0.00 0.00 43.42 42.33 2npb n LEU 56 CO 0.19 0.06 -0.38 0.52 -0.00 0.00 0.00 177.39 177.77 2npb n VAL 57 N 4.07 0.00 -3.84 1.96 0.31 -0.29 -4.96 118.33 115.59 2npb n VAL 57 Ca 0.17 0.00 -0.12 0.00 -0.01 0.00 0.00 64.34 64.38 2npb n VAL 57 Cb 0.34 0.30 -0.12 0.00 -0.91 0.00 0.00 33.84 33.45 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 -1.54 -0.10 -0.28 3.52 5.65 -1.15 -5.01 115.29 116.38 2npb s HIS 58 Ca 0.00 0.23 -0.01 0.00 0.25 0.00 0.00 55.06 55.52 2npb s HIS 58 Cb 0.00 0.02 0.17 0.00 -1.18 0.00 0.00 32.58 31.59 2npb s HIS 58 CO 0.00 -0.14 0.50 0.45 -0.65 0.00 0.00 174.74 174.90 2npb s SER 59 N -0.38 -0.68 0.65 9.88 0.15 -1.26 -0.97 113.70 121.10 2npb s SER 59 Ca -0.05 0.56 0.41 0.00 0.70 0.00 0.00 55.95 57.57 2npb s SER 59 Cb -0.03 1.71 2.26 0.00 -1.71 0.00 0.00 66.02 68.25 2npb s SER 59 CO 0.01 -0.28 2.34 0.11 1.20 0.00 0.00 173.24 176.62 2npb h LYS 60 N 8.08 0.00 0.08 5.44 1.79 -1.20 0.75 116.57 131.51 2npb h LYS 60 Ca -0.21 0.00 -0.21 0.00 -2.18 0.00 0.00 60.65 58.06 2npb h LYS 60 Cb 1.16 0.00 0.02 0.00 -1.58 0.00 0.00 32.23 31.83 2npb h LYS 60 CO 0.26 0.00 -0.86 -0.22 -1.08 0.00 0.00 179.45 177.56 2npb h LYS 61 N 0.00 0.43 0.00 3.15 1.63 -1.83 -3.30 116.57 116.65 2npb h LYS 61 Ca -0.00 -0.58 0.00 0.00 -0.85 0.00 0.00 60.65 59.22 2npb h LYS 61 Cb 0.01 0.19 0.00 0.00 -0.60 0.00 0.00 32.23 31.83 2npb h LYS 61 CO 0.00 1.23 0.00 2.89 -3.45 0.00 0.00 179.45 180.12 2npb n ARG 62 N -4.07 0.09 -1.31 1.90 -4.01 -1.21 -4.88 116.66 103.17 2npb n ARG 62 Ca -0.13 0.17 0.00 0.00 -1.04 0.00 0.00 57.85 56.85 2npb n ARG 62 Cb 0.81 -1.50 0.00 0.00 -3.04 0.00 0.00 32.46 28.73 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 0.31 0.94 0.13 2.89 0.00 -1.19 -4.99 105.19 103.27 2npb n GLY 63 Ca 0.06 -0.58 0.13 0.00 0.00 0.00 0.00 46.02 45.63 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 -3.75 1.61 3.58 -1.09 -3.50 116.42 113.27 2npb h ASP 64 Ca 0.00 -0.00 0.02 0.00 0.42 0.00 0.00 57.03 57.47 2npb h ASP 64 Cb 0.65 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.70 2npb h ASP 64 CO 0.00 0.00 -0.03 0.61 -2.88 0.00 0.00 179.24 176.95 2npb n GLY 65 N 1.27 -2.07 1.61 -0.78 0.00 -1.24 -4.85 105.19 99.12 2npb n GLY 65 Ca 0.05 -1.43 -0.13 0.00 0.00 0.00 0.00 46.02 44.52 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 -0.72 -3.82 -2.18 1.61 4.01 -1.26 -3.38 117.16 111.43 2npb n TYR 66 Ca 0.00 -0.48 -0.38 0.00 -0.16 0.00 0.00 57.90 56.88 2npb n TYR 66 Cb 0.03 -0.46 -0.03 0.00 -0.31 0.00 0.00 39.34 38.58 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 -2.13 3.47 -0.78 -0.72 -7.23 -1.26 -4.75 120.40 107.00 2npb s VAL 67 Ca 0.32 0.14 0.18 0.00 -1.81 0.00 0.00 61.98 60.80 2npb s VAL 67 Cb -0.01 -4.21 -0.20 0.00 0.56 0.00 0.00 36.38 32.51 2npb s VAL 67 CO 0.23 -1.17 0.74 0.47 -0.31 0.00 0.00 175.10 175.06 2npb n ASP 68 N 11.99 0.84 -3.91 4.85 8.00 -1.26 -4.94 116.55 132.12 2npb n ASP 68 Ca 0.19 -0.84 -0.09 0.00 0.71 0.00 0.00 54.79 54.77 2npb n ASP 68 Cb 0.51 1.08 -0.08 0.00 -0.02 0.00 0.00 41.12 42.61 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 -2.76 0.15 0.16 -3.53 2.01 -1.26 -5.03 115.64 105.37 2npb s THR 69 Ca 0.06 -1.32 -0.28 0.00 0.31 0.00 0.00 61.69 60.45 2npb s THR 69 Cb 0.14 -1.44 -0.01 0.00 0.01 0.00 0.00 72.50 71.20 2npb s THR 69 CO 0.75 -0.67 1.56 -0.08 -0.69 0.00 0.00 174.62 175.49 2npb h GLU 70 N 2.80 -0.23 0.00 4.92 4.22 -1.98 0.26 114.58 124.56 2npb h GLU 70 Ca -0.34 0.02 -0.00 0.00 0.08 0.00 0.00 59.36 59.12 2npb h GLU 70 Cb 1.19 0.05 -0.00 0.00 0.50 0.00 0.00 28.75 30.50 2npb h GLU 70 CO 0.57 -0.15 -0.00 1.03 -2.18 0.00 0.00 179.01 178.28 2npb h SER 71 N -0.24 0.00 0.09 1.04 0.87 -1.99 0.24 113.55 113.56 2npb h SER 71 Ca 0.15 0.00 -0.21 0.00 -1.23 0.00 0.00 61.79 60.50 2npb h SER 71 Cb 0.56 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.51 2npb h SER 71 CO -0.71 0.00 -1.07 0.50 -0.53 0.00 0.00 176.83 175.02 2npb h LYS 72 N 0.00 0.19 -0.69 2.24 3.64 -1.62 -3.36 116.57 116.97 2npb h LYS 72 Ca -0.00 -0.33 0.00 0.00 -1.27 0.00 0.00 60.65 59.05 2npb h LYS 72 Cb 0.00 0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 31.91 2npb h LYS 72 CO 0.00 1.16 0.45 0.35 -2.27 0.00 0.00 179.45 179.14 2npb h PHE 73 N -0.50 0.88 -0.49 1.91 3.57 0.99 -3.02 116.94 120.28 2npb h PHE 73 Ca -0.23 0.01 0.13 0.00 3.53 0.00 0.00 57.97 61.41 2npb h PHE 73 Cb 1.58 -0.30 -0.02 0.00 2.79 0.00 0.00 35.95 40.00 2npb h PHE 73 CO 0.16 0.57 0.35 -0.09 -2.23 0.00 0.00 178.31 177.07 2npb h ARG 74 N 0.94 0.08 -0.94 1.11 2.43 -0.82 0.11 114.38 117.29 2npb h ARG 74 Ca 0.25 -0.00 0.01 0.00 -0.81 0.00 0.00 59.98 59.43 2npb h ARG 74 Cb -0.09 -0.02 -0.05 0.00 -0.42 0.00 0.00 29.97 29.40 2npb h ARG 74 CO -0.05 0.05 0.63 1.57 -1.51 0.00 0.00 179.97 180.65 2npb h LYS 75 N 0.08 1.24 0.04 0.20 2.10 -1.67 0.11 116.57 118.67 2npb h LYS 75 Ca 0.23 -0.07 -0.16 0.00 -2.00 0.00 0.00 60.65 58.65 2npb h LYS 75 Cb 0.83 -0.28 0.01 0.00 -0.90 0.00 0.00 32.23 31.90 2npb h LYS 75 CO -0.02 0.82 -0.64 1.25 -2.00 0.00 0.00 179.45 178.86 2npb h LEU 76 N 1.28 0.49 -0.75 7.07 5.85 -0.95 -2.21 115.31 126.09 2npb h LEU 76 Ca 0.35 -0.82 0.07 0.00 0.84 0.00 0.00 57.88 58.31 2npb h LEU 76 Cb -0.14 -0.15 -0.06 0.00 0.37 0.00 0.00 40.66 40.67 2npb h LEU 76 CO -0.08 1.26 0.43 0.58 -0.34 0.00 0.00 178.44 180.29 2npb h VAL 77 N -0.22 0.97 -0.33 1.05 2.07 -1.15 0.23 116.25 118.86 2npb h VAL 77 Ca -0.09 -0.26 -0.05 0.00 0.82 0.00 0.00 66.70 67.12 2npb h VAL 77 Cb 1.40 0.13 -0.01 0.00 -1.52 0.00 0.00 31.29 31.28 2npb h VAL 77 CO 0.12 0.14 0.03 0.74 0.02 0.00 0.00 177.57 178.63 2npb h THR 78 N 0.77 1.25 0.00 2.57 2.02 -1.01 -1.86 112.91 116.65 2npb h THR 78 Ca 0.34 -0.88 -0.13 0.00 0.77 0.00 0.00 66.41 66.50 2npb h THR 78 Cb 0.22 1.18 -0.02 0.00 -1.74 0.00 0.00 68.15 67.79 2npb h THR 78 CO -0.20 0.29 -0.63 0.00 0.37 0.00 0.00 175.52 175.35 2npb h ALA 79 N 0.87 0.81 0.00 6.16 0.00 -0.73 -1.45 119.26 124.92 2npb h ALA 79 Ca 0.10 -0.58 -0.23 0.00 0.00 0.00 0.00 54.91 54.20 2npb h ALA 79 Cb 0.39 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.05 2npb h ALA 79 CO 0.01 0.79 -1.24 0.82 0.00 0.00 0.00 179.25 179.63 2npb h ILE 80 N 0.00 1.25 -0.38 0.00 1.08 -1.01 -0.73 117.51 117.72 2npb h ILE 80 Ca -0.01 -2.97 -0.13 0.00 -0.39 0.00 0.00 64.86 61.36 2npb h ILE 80 Cb 1.23 2.60 -0.01 0.00 -3.07 0.00 0.00 36.82 37.57 2npb h ILE 80 CO 0.08 0.71 -0.28 0.50 -0.69 0.00 0.00 178.15 178.47 2npb h LYS 81 N 0.00 0.86 0.27 2.37 3.64 -1.12 -0.21 116.57 122.37 2npb h LYS 81 Ca -0.12 -0.42 -0.01 0.00 -1.27 0.00 0.00 60.65 58.83 2npb h LYS 81 Cb 1.81 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.63 2npb h LYS 81 CO 0.10 1.06 -0.13 0.00 -2.27 0.00 0.00 179.45 178.21 2npb h ALA 82 N 0.78 -0.36 -0.17 5.00 0.00 -1.32 -2.46 119.26 120.72 2npb h ALA 82 Ca 0.07 -0.12 0.01 0.00 0.00 0.00 0.00 54.91 54.87 2npb h ALA 82 Cb 0.86 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.78 2npb h ALA 82 CO 0.08 -0.64 0.12 0.00 0.00 0.00 0.00 179.25 178.80 2npb h ALA 83 N 0.21 1.91 0.43 0.00 0.00 -1.03 -1.29 119.26 119.49 2npb h ALA 83 Ca -0.04 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 2npb h ALA 83 Cb 0.36 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.10 2npb h ALA 83 CO 0.06 0.08 -0.21 1.25 0.00 0.00 0.00 179.25 180.43 2npb h LEU 84 N 0.21 -0.49 -2.73 0.00 7.12 -0.99 -0.85 115.31 117.58 2npb h LEU 84 Ca 0.07 -0.11 -0.00 0.00 0.13 0.00 0.00 57.88 57.97 2npb h LEU 84 Cb 0.01 0.13 -0.00 0.00 -0.53 0.00 0.00 40.66 40.27 2npb h LEU 84 CO -0.01 -0.11 -0.00 0.00 -0.13 0.00 0.00 178.44 178.19 2npb h ALA 85 N -0.59 1.26 0.05 1.25 0.00 -1.18 -0.27 119.26 119.78 2npb h ALA 85 Ca -0.06 -0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.74 2npb h ALA 85 Cb 0.57 -0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.37 2npb h ALA 85 CO 0.10 0.00 -0.47 0.37 0.00 0.00 0.00 179.25 179.25 2npb h GLN 86 N 0.00 0.23 0.00 0.00 4.15 -1.15 -3.30 115.11 115.04 2npb h GLN 86 Ca -0.00 -0.31 0.00 0.00 0.77 0.00 0.00 58.65 59.11 2npb h GLN 86 Cb 0.00 0.11 0.00 0.00 0.21 0.00 0.00 27.48 27.80 2npb h GLN 86 CO 0.00 1.09 0.00 0.00 -1.93 0.00 0.00 178.83 177.99