#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hnb n ALA 2 N 0.00 -0.59 0.00 3.17 0.00 -1.26 -4.86 120.51 116.98 2hnb n ALA 2 Ca 0.00 -1.21 0.00 0.00 0.00 0.00 0.00 53.44 52.23 2hnb n ALA 2 Cb 0.00 0.97 0.00 0.00 0.00 0.00 0.00 19.45 20.42 2hnb n ALA 2 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2hnb n ASP 3 N -1.64 2.97 -3.66 0.00 2.03 -0.63 -4.85 116.55 110.77 2hnb n ASP 3 Ca -0.02 0.00 -0.29 0.00 0.52 0.00 0.00 54.79 55.01 2hnb n ASP 3 Cb 0.47 0.41 -0.12 0.00 -0.72 0.00 0.00 41.12 41.16 2hnb n ASP 3 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 2hnb s ILE 4 N -1.44 1.37 -0.35 5.18 1.01 -0.50 -4.33 121.20 122.15 2hnb s ILE 4 Ca 0.00 -2.84 -0.27 0.00 0.00 0.00 0.00 60.65 57.53 2hnb s ILE 4 Cb 0.00 -1.94 0.02 0.00 0.01 0.00 0.00 42.46 40.54 2hnb s ILE 4 CO 0.00 -0.99 1.00 -0.89 0.00 0.00 0.00 174.94 174.06 2hnb s THR 5 N -0.00 4.53 0.61 2.92 2.01 -1.12 -3.38 115.64 121.21 2hnb s THR 5 Ca 0.22 1.45 -0.15 0.00 0.31 0.00 0.00 61.69 63.52 2hnb s THR 5 Cb -0.14 -4.38 -0.03 0.00 0.01 0.00 0.00 72.50 67.95 2hnb s THR 5 CO -0.07 -0.53 1.06 -0.76 -0.69 0.00 0.00 174.62 173.63 2hnb s LEU 6 N 3.60 3.45 -0.27 4.42 1.02 0.76 -1.95 118.68 129.71 2hnb s LEU 6 Ca 0.42 1.79 -0.01 0.00 0.02 0.00 0.00 54.13 56.35 2hnb s LEU 6 Cb -0.12 -4.53 0.08 0.00 0.02 0.00 0.00 46.19 41.65 2hnb s LEU 6 CO 0.18 -1.21 0.05 -0.63 0.02 0.00 0.00 176.35 174.77 2hnb s ILE 7 N -2.53 0.98 0.05 -0.59 1.01 0.30 -0.79 121.20 119.63 2hnb s ILE 7 Ca 0.63 -1.22 -0.28 0.00 0.00 0.00 0.00 60.65 59.78 2hnb s ILE 7 Cb -0.16 -1.59 -0.05 0.00 0.01 0.00 0.00 42.46 40.67 2hnb s ILE 7 CO 0.39 -0.46 0.87 -0.44 0.00 0.00 0.00 174.94 175.30 2hnb s SER 8 N 1.60 7.32 -0.53 3.58 0.01 0.05 -1.68 113.70 124.06 2hnb s SER 8 Ca 0.05 1.59 0.04 0.00 1.31 0.00 0.00 55.95 58.93 2hnb s SER 8 Cb -0.18 -2.53 0.14 0.00 0.21 0.00 0.00 66.02 63.67 2hnb s SER 8 CO -0.17 -0.09 0.32 -0.83 0.41 0.00 0.00 173.24 172.88 2hnb s GLY 9 N 0.28 2.17 0.16 3.44 0.00 0.21 -1.73 107.32 111.84 2hnb s GLY 9 Ca 0.44 -3.09 -0.09 0.00 0.00 0.00 0.00 44.72 41.99 2hnb s GLY 9 CO 0.26 1.32 0.27 -0.45 0.00 0.00 0.00 173.10 174.50 2hnb s SER 10 N -0.30 0.06 0.00 1.64 0.15 -1.26 -0.88 113.70 113.10 2hnb s SER 10 Ca 0.20 -0.87 0.00 0.00 0.70 0.00 0.00 55.95 55.99 2hnb s SER 10 Cb -0.18 0.42 0.00 0.00 -1.71 0.00 0.00 66.02 64.56 2hnb s SER 10 CO -0.06 -0.87 0.00 0.35 1.20 0.00 0.00 173.24 173.86 2hnb n THR 11 N -0.20 0.00 -0.02 6.45 -2.24 -1.26 -4.60 114.28 112.42 2hnb n THR 11 Ca -0.08 0.00 -0.02 0.00 -2.27 0.00 0.00 64.05 61.69 2hnb n THR 11 Cb 0.63 -0.32 0.25 0.00 -2.10 0.00 0.00 70.33 68.79 2hnb n THR 11 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 2hnb h LEU 12 N 0.00 0.54 0.00 3.22 3.38 -1.95 -3.47 115.31 117.02 2hnb h LEU 12 Ca 0.00 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.85 2hnb h LEU 12 Cb 0.20 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.81 2hnb h LEU 12 CO 0.00 0.64 0.00 0.61 0.09 0.00 0.00 178.44 179.78 2hnb n GLY 13 N -0.74 1.31 0.12 0.83 0.00 -1.26 -5.04 105.19 100.41 2hnb n GLY 13 Ca 0.01 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.91 2hnb n GLY 13 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2hnb h GLY 14 N 0.00 -0.13 2.00 -0.02 0.00 -1.92 -0.29 103.07 102.71 2hnb h GLY 14 Ca 0.00 0.09 -0.03 0.00 0.00 0.00 0.00 47.33 47.39 2hnb h GLY 14 CO 0.00 -0.09 -0.14 0.00 0.00 0.00 0.00 176.54 176.32 2hnb h ALA 15 N 0.78 1.05 -0.10 3.60 0.00 -1.88 -1.13 119.26 121.58 2hnb h ALA 15 Ca 0.02 -0.12 -0.24 0.00 0.00 0.00 0.00 54.91 54.56 2hnb h ALA 15 Cb 0.17 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 17.96 2hnb h ALA 15 CO -0.05 0.17 -0.87 0.93 0.00 0.00 0.00 179.25 179.44 2hnb h GLU 16 N 0.00 0.77 -0.32 0.00 5.08 -1.54 0.61 114.58 119.17 2hnb h GLU 16 Ca -0.00 -0.68 -0.10 0.00 -1.00 0.00 0.00 59.36 57.58 2hnb h GLU 16 Cb 0.60 0.16 -0.01 0.00 0.50 0.00 0.00 28.75 30.00 2hnb h GLU 16 CO 0.02 1.28 -0.17 1.88 -1.00 0.00 0.00 179.01 181.02 2hnb h TYR 17 N 0.50 0.79 -0.73 4.33 0.05 -0.77 -1.49 116.97 119.66 2hnb h TYR 17 Ca -0.08 -0.20 -0.06 0.00 0.05 0.00 0.00 58.73 58.44 2hnb h TYR 17 Cb 1.50 -0.18 -0.03 0.00 1.01 0.00 0.00 36.73 39.03 2hnb h TYR 17 CO 0.09 0.91 0.21 0.28 -1.05 0.00 0.00 178.16 178.60 2hnb h VAL 18 N 0.45 1.26 -0.61 -2.88 2.07 -1.26 -1.98 116.25 113.30 2hnb h VAL 18 Ca 0.07 -0.92 -0.00 0.00 0.82 0.00 0.00 66.70 66.66 2hnb h VAL 18 Cb 0.70 0.47 -0.03 0.00 -1.52 0.00 0.00 31.29 30.92 2hnb h VAL 18 CO 0.05 0.36 0.37 0.00 0.02 0.00 0.00 177.57 178.37 2hnb h ALA 19 N 1.14 0.78 -0.54 1.67 0.00 -0.64 -0.02 119.26 121.65 2hnb h ALA 19 Ca 0.23 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 2hnb h ALA 19 Cb 0.32 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 2hnb h ALA 19 CO -0.00 0.26 0.32 1.49 0.00 0.00 0.00 179.25 181.32 2hnb h GLU 20 N 0.83 0.74 0.16 0.00 4.81 -1.00 0.53 114.58 120.65 2hnb h GLU 20 Ca 0.22 -0.07 -0.01 0.00 -0.13 0.00 0.00 59.36 59.37 2hnb h GLU 20 Cb -0.02 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 29.21 2hnb h GLU 20 CO -0.04 0.54 -0.08 1.25 -0.73 0.00 0.00 179.01 179.96 2hnb h HIS 21 N 0.73 -0.20 -0.59 0.92 2.76 -1.00 -1.60 115.15 116.16 2hnb h HIS 21 Ca 0.19 -0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 58.35 2hnb h HIS 21 Cb -0.00 0.07 -0.03 0.00 1.55 0.00 0.00 27.41 29.00 2hnb h HIS 21 CO -0.02 -0.09 0.34 -0.07 -1.30 0.00 0.00 177.93 176.79 2hnb h LEU 22 N -0.25 0.73 -0.62 0.26 3.38 -0.79 -1.56 115.31 116.44 2hnb h LEU 22 Ca -0.02 -0.08 -0.01 0.00 0.09 0.00 0.00 57.88 57.86 2hnb h LEU 22 Cb 0.20 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.73 2hnb h LEU 22 CO 0.04 0.59 0.36 0.00 0.09 0.00 0.00 178.44 179.52 2hnb h ALA 23 N 1.16 0.80 -0.41 1.53 0.00 -0.81 -0.54 119.26 120.99 2hnb h ALA 23 Ca 0.21 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 2hnb h ALA 23 Cb 0.01 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 2hnb h ALA 23 CO -0.04 0.29 0.21 1.49 0.00 0.00 0.00 179.25 181.21 2hnb h GLU 24 N 0.85 0.57 -0.66 0.00 4.81 -0.84 0.09 114.58 119.40 2hnb h GLU 24 Ca 0.22 -0.08 -0.00 0.00 -0.13 0.00 0.00 59.36 59.37 2hnb h GLU 24 Cb 0.01 -0.11 -0.03 0.00 0.63 0.00 0.00 28.75 29.25 2hnb h GLU 24 CO -0.04 0.48 0.39 0.87 -0.73 0.00 0.00 179.01 179.99 2hnb h LYS 25 N 0.52 0.90 -0.67 1.92 1.79 -0.98 -1.01 116.57 119.04 2hnb h LYS 25 Ca 0.14 -0.09 -0.06 0.00 -2.18 0.00 0.00 60.65 58.47 2hnb h LYS 25 Cb 0.09 -0.19 -0.03 0.00 -1.58 0.00 0.00 32.23 30.52 2hnb h LYS 25 CO -0.02 0.65 0.19 -0.07 -1.08 0.00 0.00 179.45 179.12 2hnb h LEU 26 N 0.90 0.99 -0.78 2.94 3.38 -0.79 -0.79 115.31 121.17 2hnb h LEU 26 Ca 0.24 -0.22 -0.09 0.00 0.09 0.00 0.00 57.88 57.90 2hnb h LEU 26 Cb -0.02 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.45 2hnb h LEU 26 CO -0.04 0.95 -0.02 -0.33 0.09 0.00 0.00 178.44 179.09 2hnb h GLU 27 N 0.99 0.91 -0.39 1.13 5.08 -0.61 0.55 114.58 122.23 2hnb h GLU 27 Ca 0.21 -0.27 -0.10 0.00 -1.00 0.00 0.00 59.36 58.21 2hnb h GLU 27 Cb 0.32 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.47 2hnb h GLU 27 CO -0.00 0.91 -0.15 0.93 -1.00 0.00 0.00 179.01 179.70 2hnb h GLU 28 N 0.83 0.72 0.00 2.33 4.39 -0.99 -2.23 114.58 119.63 2hnb h GLU 28 Ca 0.15 -0.25 -0.05 0.00 0.34 0.00 0.00 59.36 59.55 2hnb h GLU 28 Cb 0.52 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 29.11 2hnb h GLU 28 CO 0.03 0.83 -0.24 0.00 -1.16 0.00 0.00 179.01 178.47 2hnb h ALA 29 N 1.19 1.15 0.00 3.43 0.00 -0.70 -3.47 119.26 120.86 2hnb h ALA 29 Ca 0.10 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.80 2hnb h ALA 29 Cb 0.62 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.37 2hnb h ALA 29 CO 0.04 0.30 0.00 0.41 0.00 0.00 0.00 179.25 180.00 2hnb n GLY 30 N -0.21 0.98 3.78 0.00 0.00 0.03 -5.08 105.19 104.70 2hnb n GLY 30 Ca -0.01 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.64 2hnb n GLY 30 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2hnb s PHE 31 N -2.00 3.75 0.20 1.61 0.08 -0.30 -4.95 117.98 116.37 2hnb s PHE 31 Ca 0.00 1.73 -0.30 0.00 0.12 0.00 0.00 56.93 58.48 2hnb s PHE 31 Cb 0.00 -2.87 -0.08 0.00 -0.57 0.00 0.00 43.02 39.50 2hnb s PHE 31 CO 0.00 0.29 0.96 0.95 -0.10 0.00 0.00 175.22 177.32 2hnb s THR 32 N -1.50 4.16 0.22 0.64 -4.23 -1.26 -3.77 115.64 109.90 2hnb s THR 32 Ca 0.47 2.03 0.06 0.00 -1.18 0.00 0.00 61.69 63.06 2hnb s THR 32 Cb -0.20 -4.29 -0.05 0.00 1.34 0.00 0.00 72.50 69.30 2hnb s THR 32 CO 0.25 0.43 -0.08 0.42 -0.54 0.00 0.00 174.62 175.09 2hnb s THR 33 N -0.77 1.44 0.18 3.99 -4.23 -1.26 -1.41 115.64 113.57 2hnb s THR 33 Ca 0.43 -2.12 -0.07 0.00 -1.18 0.00 0.00 61.69 58.76 2hnb s THR 33 Cb -0.26 -2.18 -0.02 0.00 1.34 0.00 0.00 72.50 71.39 2hnb s THR 33 CO 0.32 -0.49 0.25 -0.70 -0.54 0.00 0.00 174.62 173.46 2hnb s GLU 34 N -3.74 1.18 -0.27 3.99 2.56 -1.22 -4.77 118.70 116.43 2hnb s GLU 34 Ca 0.24 -1.30 -0.02 0.00 0.00 0.00 0.00 54.97 53.90 2hnb s GLU 34 Cb 0.03 0.35 0.12 0.00 2.00 0.00 0.00 34.13 36.63 2hnb s GLU 34 CO 0.07 -0.42 0.26 0.99 -0.56 0.00 0.00 175.26 175.60 2hnb s THR 35 N -4.02 -0.34 -0.49 -1.70 2.01 -1.26 -0.17 115.64 109.68 2hnb s THR 35 Ca 0.22 -0.46 -0.20 0.00 0.31 0.00 0.00 61.69 61.56 2hnb s THR 35 Cb 0.04 -0.93 0.05 0.00 0.01 0.00 0.00 72.50 71.66 2hnb s THR 35 CO 0.03 -0.46 0.66 -0.76 -0.69 0.00 0.00 174.62 173.40 2hnb s LEU 36 N 2.32 4.74 -0.53 4.42 1.43 0.03 -4.91 118.68 126.18 2hnb s LEU 36 Ca 0.09 -0.69 -0.28 0.00 -1.03 0.00 0.00 54.13 52.22 2hnb s LEU 36 Cb -0.15 -2.56 0.01 0.00 0.03 0.00 0.00 46.19 43.52 2hnb s LEU 36 CO -0.30 -0.88 1.48 -1.00 0.23 0.00 0.00 176.35 175.88 2hnb s HIS 37 N 2.80 2.21 -1.14 0.29 3.76 -1.26 -0.77 115.29 121.18 2hnb s HIS 37 Ca 0.19 0.54 -0.06 0.00 -0.15 0.00 0.00 55.06 55.58 2hnb s HIS 37 Cb -0.17 -4.34 -0.03 0.00 1.11 0.00 0.00 32.58 29.15 2hnb s HIS 37 CO 0.15 -2.08 0.88 0.41 -0.85 0.00 0.00 174.74 173.25 2hnb n GLY 38 N 5.28 -0.82 3.54 -2.22 0.00 -0.71 -4.96 105.19 105.31 2hnb n GLY 38 Ca 0.14 0.38 -0.29 0.00 0.00 0.00 0.00 46.02 46.26 2hnb n GLY 38 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2hnb s PRO 39 N -5.10 -0.95 0.33 1.61 0.04 -1.26 -4.81 135.00 124.86 2hnb s PRO 39 Ca 0.29 0.42 0.04 0.00 0.04 0.00 0.00 61.00 61.79 2hnb s PRO 39 Cb -0.05 -1.58 -0.06 0.00 0.04 0.00 0.00 34.50 32.84 2hnb s PRO 39 CO 0.77 -3.63 0.06 -0.51 0.04 0.00 0.00 177.00 173.72 2hnb s LEU 40 N -7.04 2.17 0.42 -3.56 1.43 -1.26 -4.53 118.68 106.30 2hnb s LEU 40 Ca 0.68 -1.39 0.14 0.00 -1.03 0.00 0.00 54.13 52.54 2hnb s LEU 40 Cb -0.18 -0.37 1.01 0.00 0.03 0.00 0.00 46.19 46.67 2hnb s LEU 40 CO 0.60 -0.62 1.92 0.25 0.23 0.00 0.00 176.35 178.73 2hnb h LEU 41 N 2.10 0.43 0.00 1.79 6.46 -1.88 -0.49 115.31 123.73 2hnb h LEU 41 Ca -0.41 0.02 0.00 0.00 -0.12 0.00 0.00 57.88 57.38 2hnb h LEU 41 Cb 1.25 -0.06 0.00 0.00 -0.73 0.00 0.00 40.66 41.11 2hnb h LEU 41 CO 0.69 0.23 0.00 -0.62 -0.62 0.00 0.00 178.44 178.12 2hnb n GLU 42 N -4.49 0.17 -0.30 1.25 1.02 -1.26 -2.29 120.64 114.74 2hnb n GLU 42 Ca 0.14 0.17 0.02 0.00 -0.02 0.00 0.00 57.16 57.47 2hnb n GLU 42 Cb 0.50 -1.50 0.03 0.00 -0.02 0.00 0.00 31.44 30.45 2hnb n GLU 42 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 2hnb n ASP 43 N -1.26 0.54 -3.66 1.62 2.03 -0.21 -5.02 116.55 110.59 2hnb n ASP 43 Ca 0.05 -2.01 -0.30 0.00 0.52 0.00 0.00 54.79 53.05 2hnb n ASP 43 Cb 0.08 -0.19 -0.15 0.00 -0.72 0.00 0.00 41.12 40.14 2hnb n ASP 43 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 2hnb s LEU 44 N -0.58 1.76 0.63 -2.67 1.98 -0.97 -4.85 118.68 113.98 2hnb s LEU 44 Ca 0.06 -1.66 -0.16 0.00 -2.89 0.00 0.00 54.13 49.48 2hnb s LEU 44 Cb 0.05 -0.72 -0.01 0.00 0.66 0.00 0.00 46.19 46.17 2hnb s LEU 44 CO 0.01 -0.40 1.11 -2.16 -1.89 0.00 0.00 176.35 173.01 2hnb s PRO 45 N 1.61 2.95 0.00 0.98 0.04 -1.26 -4.85 135.00 134.47 2hnb s PRO 45 Ca 0.11 1.41 0.06 0.00 0.04 0.00 0.00 61.00 62.62 2hnb s PRO 45 Cb -0.18 -1.97 0.37 0.00 0.04 0.00 0.00 34.50 32.76 2hnb s PRO 45 CO -0.25 -1.13 1.19 0.00 0.04 0.00 0.00 177.00 176.85 2hnb n ALA 46 N -2.18 2.49 -3.69 8.56 0.00 -1.26 -4.72 120.51 119.70 2hnb n ALA 46 Ca 0.10 -0.04 -0.11 0.00 0.00 0.00 0.00 53.44 53.39 2hnb n ALA 46 Cb 0.52 -1.10 -0.12 0.00 0.00 0.00 0.00 19.45 18.75 2hnb n ALA 46 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 2hnb s SER 47 N -1.24 -0.21 0.00 0.00 0.01 -1.26 -2.57 113.70 108.43 2hnb s SER 47 Ca 0.09 0.76 0.00 0.00 1.31 0.00 0.00 55.95 58.11 2hnb s SER 47 Cb 0.04 0.80 0.00 0.00 0.21 0.00 0.00 66.02 67.07 2hnb s SER 47 CO 0.07 -0.21 0.00 0.61 0.41 0.00 0.00 173.24 174.13 2hnb n GLY 48 N 4.74 -0.51 3.09 3.44 0.00 -1.18 -4.91 105.19 109.85 2hnb n GLY 48 Ca -0.17 -1.63 -0.34 0.00 0.00 0.00 0.00 46.02 43.88 2hnb n GLY 48 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2hnb s ILE 49 N -1.89 2.79 0.48 -0.61 1.01 -1.26 -1.22 121.20 120.50 2hnb s ILE 49 Ca 0.00 -2.05 0.05 0.00 0.00 0.00 0.00 60.65 58.65 2hnb s ILE 49 Cb 0.00 -2.90 0.02 0.00 0.01 0.00 0.00 42.46 39.59 2hnb s ILE 49 CO 0.00 -0.53 0.66 0.26 0.00 0.00 0.00 174.94 175.33 2hnb s TRP 50 N 1.06 2.84 -0.27 3.97 0.23 -0.14 -2.78 118.94 123.85 2hnb s TRP 50 Ca 0.06 -0.22 -0.03 0.00 -2.03 0.00 0.00 56.10 53.89 2hnb s TRP 50 Cb -0.21 -2.54 0.11 0.00 0.03 0.00 0.00 33.47 30.86 2hnb s TRP 50 CO -0.05 -0.62 0.20 -1.17 0.96 0.00 0.00 176.95 176.26 2hnb s LEU 51 N -4.54 0.17 0.13 2.99 2.96 -0.82 -2.09 118.68 117.49 2hnb s LEU 51 Ca 0.56 -0.94 -0.25 0.00 -0.22 0.00 0.00 54.13 53.28 2hnb s LEU 51 Cb -0.10 0.05 -0.07 0.00 0.50 0.00 0.00 46.19 46.56 2hnb s LEU 51 CO 0.35 -0.40 0.77 -0.69 -1.32 0.00 0.00 176.35 175.06 2hnb s VAL 52 N 2.22 4.48 -0.04 1.68 1.01 0.27 -0.54 120.40 129.49 2hnb s VAL 52 Ca 0.08 1.68 0.01 0.00 0.00 0.00 0.00 61.98 63.75 2hnb s VAL 52 Cb -0.15 -4.13 0.02 0.00 0.00 0.00 0.00 36.38 32.12 2hnb s VAL 52 CO -0.31 0.48 -0.04 -0.63 0.00 0.00 0.00 175.10 174.60 2hnb s ILE 53 N -0.83 0.47 -0.03 2.22 1.09 -0.67 -1.73 121.20 121.72 2hnb s ILE 53 Ca 0.36 -0.10 0.04 0.00 -1.10 0.00 0.00 60.65 59.85 2hnb s ILE 53 Cb -0.22 -0.50 -0.00 0.00 -1.06 0.00 0.00 42.46 40.68 2hnb s ILE 53 CO 0.25 0.20 -0.13 -0.44 -0.10 0.00 0.00 174.94 174.72 2hnb s SER 54 N 0.84 1.66 -0.67 3.58 0.01 -0.31 -0.62 113.70 118.18 2hnb s SER 54 Ca -0.11 -0.26 0.01 0.00 1.31 0.00 0.00 55.95 56.90 2hnb s SER 54 Cb -0.14 -0.40 0.39 0.00 0.21 0.00 0.00 66.02 66.09 2hnb s SER 54 CO -0.00 0.12 1.72 -1.20 0.41 0.00 0.00 173.24 174.29 2hnb n SER 55 N 3.12 6.59 -2.84 2.44 7.64 -0.06 -0.69 113.62 129.83 2hnb n SER 55 Ca -0.17 -3.79 -0.34 0.00 1.01 0.00 0.00 58.87 55.57 2hnb n SER 55 Cb 0.54 -0.84 -0.09 0.00 -1.01 0.00 0.00 64.21 62.82 2hnb n SER 55 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 2hnb n THR 56 N -0.59 0.00 -1.95 0.44 -1.04 -1.01 -4.40 114.28 105.74 2hnb n THR 56 Ca 0.50 0.00 -0.36 0.00 -2.04 0.00 0.00 64.05 62.15 2hnb n THR 56 Cb 0.46 -0.33 0.04 0.00 -1.82 0.00 0.00 70.33 68.68 2hnb n THR 56 CO 0.00 0.00 0.00 -1.00 -0.64 0.00 0.00 175.07 173.43 2hnb s HIS 57 N 4.72 2.32 0.45 -1.42 3.76 -0.15 -4.17 115.29 120.80 2hnb s HIS 57 Ca 0.82 1.50 0.32 0.00 -0.15 0.00 0.00 55.06 57.56 2hnb s HIS 57 Cb -0.91 -3.54 1.46 0.00 1.11 0.00 0.00 32.58 30.69 2hnb s HIS 57 CO 0.38 -2.40 1.62 0.78 -0.85 0.00 0.00 174.74 174.27 2hnb h GLY 58 N 0.84 1.16 2.00 -2.22 0.00 -1.87 0.78 103.07 103.76 2hnb h GLY 58 Ca -0.51 -0.10 0.00 0.00 0.00 0.00 0.00 47.33 46.72 2hnb h GLY 58 CO 0.55 -0.36 0.00 0.00 0.00 0.00 0.00 176.54 176.73 2hnb n ALA 59 N -2.56 1.66 -1.15 3.60 0.00 -1.26 -3.03 120.51 117.77 2hnb n ALA 59 Ca 0.38 -0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.79 2hnb n ALA 59 Cb 1.48 -1.25 0.00 0.00 0.00 0.00 0.00 19.45 19.68 2hnb n ALA 59 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2hnb n GLY 60 N -0.01 0.65 2.98 0.00 0.00 0.25 -4.80 105.19 104.26 2hnb n GLY 60 Ca 0.03 -0.29 -0.31 0.00 0.00 0.00 0.00 46.02 45.45 2hnb n GLY 60 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2hnb s ASP 61 N -2.22 4.24 0.37 1.61 2.15 -1.10 -4.66 116.67 117.06 2hnb s ASP 61 Ca 0.00 -1.51 -0.28 0.00 0.43 0.00 0.00 52.55 51.20 2hnb s ASP 61 Cb 0.00 -1.36 -0.10 0.00 -0.30 0.00 0.00 42.92 41.17 2hnb s ASP 61 CO 0.00 -0.27 1.34 -0.63 -0.17 0.00 0.00 175.17 175.44 2hnb s ILE 62 N 1.22 2.53 0.40 4.11 1.01 -1.26 -0.98 121.20 128.23 2hnb s ILE 62 Ca -0.01 0.51 -0.27 0.00 0.00 0.00 0.00 60.65 60.88 2hnb s ILE 62 Cb -0.19 -3.32 -0.10 0.00 0.01 0.00 0.00 42.46 38.87 2hnb s ILE 62 CO -0.08 0.10 1.43 -2.16 0.00 0.00 0.00 174.94 174.23 2hnb s PRO 63 N -2.03 3.99 0.32 2.79 0.04 -1.26 -4.75 135.00 134.10 2hnb s PRO 63 Ca 0.53 2.44 0.23 0.00 0.04 0.00 0.00 61.00 64.23 2hnb s PRO 63 Cb -0.41 -2.86 1.17 0.00 0.04 0.00 0.00 34.50 32.44 2hnb s PRO 63 CO 0.54 -0.58 1.70 -3.47 0.04 0.00 0.00 177.00 175.22 2hnb n ASP 64 N 0.25 0.61 0.22 6.66 2.03 -1.26 -1.94 116.55 123.13 2hnb n ASP 64 Ca 0.02 0.75 0.09 0.00 0.52 0.00 0.00 54.79 56.18 2hnb n ASP 64 Cb 0.41 -0.84 0.49 0.00 -0.72 0.00 0.00 41.12 40.46 2hnb n ASP 64 CO 0.00 0.00 0.00 -0.55 -1.92 0.00 0.00 177.20 174.73 2hnb h ASN 65 N 0.00 0.00 0.00 1.67 -1.07 -1.90 -3.39 115.58 110.88 2hnb h ASN 65 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.37 2hnb h ASN 65 Cb 0.09 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.34 2hnb h ASN 65 CO 0.00 0.24 -0.57 -0.11 0.07 0.00 0.00 177.43 177.07 2hnb n LEU 66 N -3.53 0.30 -0.22 6.14 7.94 -0.82 -4.28 117.00 122.53 2hnb n LEU 66 Ca -0.01 0.00 0.20 0.00 -1.11 0.00 0.00 56.01 55.09 2hnb n LEU 66 Cb 0.40 0.00 0.54 0.00 0.53 0.00 0.00 43.42 44.88 2hnb n LEU 66 CO 0.34 0.05 1.22 0.77 -1.11 0.00 0.00 177.39 178.66 2hnb h SER 67 N 0.00 0.35 -0.98 1.96 4.64 -1.60 -2.00 113.55 115.92 2hnb h SER 67 Ca 0.00 0.03 0.21 0.00 -0.47 0.00 0.00 61.79 61.56 2hnb h SER 67 Cb 0.57 -0.03 -0.09 0.00 -0.31 0.00 0.00 62.40 62.53 2hnb h SER 67 CO 0.00 0.15 0.62 -0.65 -0.87 0.00 0.00 176.83 176.07 2hnb h PRO 68 N 0.36 0.57 -0.53 4.77 0.11 -1.86 -1.42 132.00 133.99 2hnb h PRO 68 Ca 0.45 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 66.52 2hnb h PRO 68 Cb 1.18 -0.13 -0.03 0.00 0.11 0.00 0.00 31.00 32.13 2hnb h PRO 68 CO -0.15 0.38 0.31 0.35 -0.21 0.00 0.00 178.00 178.67 2hnb h PHE 69 N 0.59 0.70 -0.00 0.65 3.57 -1.59 -1.49 116.94 119.37 2hnb h PHE 69 Ca 0.54 -0.01 -0.17 0.00 3.53 0.00 0.00 57.97 61.87 2hnb h PHE 69 Cb 1.09 -0.23 -0.02 0.00 2.79 0.00 0.00 35.95 39.58 2hnb h PHE 69 CO -0.00 0.50 -0.80 1.88 -2.23 0.00 0.00 178.31 177.65 2hnb h TYR 70 N 0.71 0.05 -0.58 0.41 -1.99 -1.41 -1.09 116.97 113.07 2hnb h TYR 70 Ca 0.19 -0.03 -0.02 0.00 2.00 0.00 0.00 58.73 60.87 2hnb h TYR 70 Cb 0.01 -0.01 -0.03 0.00 2.00 0.00 0.00 36.73 38.71 2hnb h TYR 70 CO -0.02 0.82 0.27 0.93 -0.00 0.00 0.00 178.16 180.16 2hnb h GLU 71 N 0.02 0.84 0.00 4.88 5.08 -1.21 -2.19 114.58 122.00 2hnb h GLU 71 Ca -0.01 -0.13 -0.00 0.00 -1.00 0.00 0.00 59.36 58.21 2hnb h GLU 71 Cb 1.42 -0.15 -0.00 0.00 0.50 0.00 0.00 28.75 30.52 2hnb h GLU 71 CO 0.11 0.69 -0.02 0.00 -1.00 0.00 0.00 179.01 178.79 2hnb h ALA 72 N 1.11 1.03 0.36 3.43 0.00 -0.63 -1.73 119.26 122.83 2hnb h ALA 72 Ca 0.20 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.07 2hnb h ALA 72 Cb 0.14 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.93 2hnb h ALA 72 CO -0.02 0.03 -0.17 -0.07 0.00 0.00 0.00 179.25 179.01 2hnb h LEU 73 N 0.00 -0.41 -1.66 0.00 3.38 -0.58 -2.98 115.31 113.06 2hnb h LEU 73 Ca -0.00 -0.15 -0.04 0.00 0.09 0.00 0.00 57.88 57.78 2hnb h LEU 73 Cb 0.34 0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.19 2hnb h LEU 73 CO 0.00 -0.01 -0.20 0.06 0.09 0.00 0.00 178.44 178.39 2hnb h GLN 74 N -0.89 0.00 0.00 1.13 3.07 -1.24 0.22 115.11 117.40 2hnb h GLN 74 Ca -0.05 0.00 -0.06 0.00 0.09 0.00 0.00 58.65 58.63 2hnb h GLN 74 Cb 0.54 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.09 2hnb h GLN 74 CO 0.08 0.20 -0.31 1.49 0.09 0.00 0.00 178.83 180.38 2hnb h GLU 75 N 0.00 0.00 0.00 0.06 4.81 -1.36 -3.36 114.58 114.74 2hnb h GLU 75 Ca -0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2hnb h GLU 75 Cb 0.39 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.77 2hnb h GLU 75 CO 0.03 0.31 -0.64 1.04 -0.73 0.00 0.00 179.01 179.01 2hnb n GLN 76 N -3.98 2.13 -4.09 1.92 6.02 -0.81 -5.04 117.38 113.54 2hnb n GLN 76 Ca -0.02 0.00 -0.44 0.00 -0.01 0.00 0.00 57.00 56.53 2hnb n GLN 76 Cb 0.37 -0.80 0.01 0.00 1.02 0.00 0.00 30.24 30.84 2hnb n GLN 76 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 177.06 177.22 2hnb n LYS 77 N -1.16 -0.42 -1.26 -1.09 4.81 0.70 -4.89 118.16 114.85 2hnb n LYS 77 Ca 0.00 0.10 -0.32 0.00 -0.87 0.00 0.00 58.31 57.22 2hnb n LYS 77 Cb 0.00 -2.76 0.10 0.00 0.02 0.00 0.00 35.03 32.39 2hnb n LYS 77 CO 0.00 0.00 0.00 -1.25 1.17 0.00 0.00 177.40 177.32 2hnb s PRO 78 N -7.36 2.10 -1.16 1.64 0.04 -1.26 -4.93 135.00 124.08 2hnb s PRO 78 Ca 0.43 1.35 -0.19 0.00 0.04 0.00 0.00 61.00 62.62 2hnb s PRO 78 Cb -0.23 -1.87 0.08 0.00 0.04 0.00 0.00 34.50 32.52 2hnb s PRO 78 CO 0.97 -1.79 1.55 0.34 0.04 0.00 0.00 177.00 178.11 2hnb s ASP 79 N -2.96 6.73 -0.29 6.66 2.15 -1.26 -4.55 116.67 123.14 2hnb s ASP 79 Ca 0.65 -2.12 0.10 0.00 0.43 0.00 0.00 52.55 51.60 2hnb s ASP 79 Cb -0.20 -2.54 0.57 0.00 -0.30 0.00 0.00 42.92 40.45 2hnb s ASP 79 CO 0.53 -1.23 1.57 0.18 -0.17 0.00 0.00 175.17 176.04 2hnb n LEU 80 N 8.08 4.72 -0.36 -1.34 4.77 -0.11 -4.82 117.00 127.95 2hnb n LEU 80 Ca 0.40 -3.51 0.00 0.00 -0.03 0.00 0.00 56.01 52.87 2hnb n LEU 80 Cb 0.48 -0.66 0.00 0.00 -2.33 0.00 0.00 43.42 40.91 2hnb n LEU 80 CO 0.69 1.04 0.01 -1.20 -1.33 0.00 0.00 177.39 176.60 2hnb n SER 81 N -0.87 0.03 0.00 -1.43 7.64 -1.14 -1.47 113.62 116.38 2hnb n SER 81 Ca 0.36 -0.08 0.00 0.00 1.01 0.00 0.00 58.87 60.16 2hnb n SER 81 Cb 1.15 -0.01 0.00 0.00 -1.01 0.00 0.00 64.21 64.33 2hnb n SER 81 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2hnb n ALA 82 N 0.20 0.54 -1.95 -0.43 0.00 -1.20 -4.79 120.51 112.88 2hnb n ALA 82 Ca 0.00 -0.20 -0.41 0.00 0.00 0.00 0.00 53.44 52.84 2hnb n ALA 82 Cb 0.01 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.41 2hnb n ALA 82 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2hnb s VAL 83 N 0.00 4.00 0.07 0.00 1.01 -0.54 -3.10 120.40 121.84 2hnb s VAL 83 Ca 0.00 1.84 0.08 0.00 0.00 0.00 0.00 61.98 63.90 2hnb s VAL 83 Cb 0.00 -4.17 -0.03 0.00 0.00 0.00 0.00 36.38 32.18 2hnb s VAL 83 CO 0.00 0.37 -0.22 -0.13 0.00 0.00 0.00 175.10 175.12 2hnb s ARG 84 N -0.74 1.34 0.20 2.72 1.81 -0.36 -2.45 118.95 121.47 2hnb s ARG 84 Ca 0.45 -1.06 -0.11 0.00 -1.72 0.00 0.00 55.73 53.29 2hnb s ARG 84 Cb -0.27 -1.54 -0.00 0.00 -0.45 0.00 0.00 34.95 32.69 2hnb s ARG 84 CO 0.34 0.38 0.38 -0.59 -0.68 0.00 0.00 175.30 175.13 2hnb s PHE 85 N -0.94 0.33 0.23 -0.53 -0.71 -1.04 -0.97 117.98 114.35 2hnb s PHE 85 Ca 0.08 -0.68 0.09 0.00 -1.04 0.00 0.00 56.93 55.38 2hnb s PHE 85 Cb -0.09 0.08 -0.04 0.00 -1.21 0.00 0.00 43.02 41.75 2hnb s PHE 85 CO 0.03 -0.84 -0.02 0.20 -1.34 0.00 0.00 175.22 173.25 2hnb s GLY 86 N -2.98 1.68 -0.08 1.99 0.00 -0.89 -1.49 107.32 105.55 2hnb s GLY 86 Ca 0.18 -1.56 -0.04 0.00 0.00 0.00 0.00 44.72 43.30 2hnb s GLY 86 CO 0.03 -1.61 0.18 0.00 0.00 0.00 0.00 173.10 171.71 2hnb s ALA 87 N -2.09 -0.40 -0.00 3.20 0.00 -1.26 -0.56 121.76 120.65 2hnb s ALA 87 Ca 0.29 0.75 0.01 0.00 0.00 0.00 0.00 51.96 53.01 2hnb s ALA 87 Cb -0.07 -0.48 0.00 0.00 0.00 0.00 0.00 23.12 22.57 2hnb s ALA 87 CO 0.19 -0.16 -0.02 0.42 0.00 0.00 0.00 175.76 176.20 2hnb s ILE 88 N 0.98 0.16 0.13 0.00 1.01 -0.70 -1.69 121.20 121.10 2hnb s ILE 88 Ca -0.07 -0.06 0.11 0.00 0.00 0.00 0.00 60.65 60.62 2hnb s ILE 88 Cb -0.09 -0.15 -0.04 0.00 0.01 0.00 0.00 42.46 42.18 2hnb s ILE 88 CO -0.06 0.06 -0.27 -0.83 0.00 0.00 0.00 174.94 173.84 2hnb s GLY 89 N 0.08 1.59 -0.01 6.18 0.00 -0.36 -1.17 107.32 113.65 2hnb s GLY 89 Ca -0.01 -1.48 0.00 0.00 0.00 0.00 0.00 44.72 43.24 2hnb s GLY 89 CO -0.00 -1.46 0.01 -0.42 0.00 0.00 0.00 173.10 171.22 2hnb s ILE 90 N -1.11 0.02 0.00 0.90 1.01 0.13 -1.03 121.20 121.13 2hnb s ILE 90 Ca 0.15 0.06 0.00 0.00 0.00 0.00 0.00 60.65 60.86 2hnb s ILE 90 Cb -0.10 -0.07 0.00 0.00 0.01 0.00 0.00 42.46 42.30 2hnb s ILE 90 CO 0.06 0.05 0.00 0.61 0.00 0.00 0.00 174.94 175.66 2hnb n GLY 91 N 3.51 0.79 3.20 6.18 0.00 -1.03 -2.40 105.19 115.44 2hnb n GLY 91 Ca -0.18 -0.69 -0.38 0.00 0.00 0.00 0.00 46.02 44.76 2hnb n GLY 91 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2hnb s SER 92 N 0.79 5.37 0.16 1.61 0.01 -1.26 -1.39 113.70 118.99 2hnb s SER 92 Ca 0.00 -1.63 0.11 0.00 1.31 0.00 0.00 55.95 55.73 2hnb s SER 92 Cb 0.00 -1.88 0.58 0.00 0.21 0.00 0.00 66.02 64.93 2hnb s SER 92 CO 0.00 -0.49 1.32 -1.14 0.41 0.00 0.00 173.24 173.34 2hnb n ARG 93 N 4.75 0.07 -0.02 12.44 3.00 -1.26 -1.14 116.66 134.50 2hnb n ARG 93 Ca -0.08 0.56 0.12 0.00 -0.00 0.00 0.00 57.85 58.46 2hnb n ARG 93 Cb 0.42 -1.74 0.55 0.00 0.00 0.00 0.00 32.46 31.70 2hnb n ARG 93 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.63 179.12 2hnb h GLU 94 N 0.00 0.28 -6.90 -0.14 4.81 -1.94 -3.42 114.58 107.28 2hnb h GLU 94 Ca 0.00 -0.02 -0.48 0.00 -0.13 0.00 0.00 59.36 58.74 2hnb h GLU 94 Cb 0.02 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.32 2hnb h GLU 94 CO 0.00 0.19 0.20 0.71 -0.73 0.00 0.00 179.01 179.38 2hnb s TYR 95 N -5.29 3.39 0.28 0.92 1.51 -0.29 -5.00 117.35 112.88 2hnb s TYR 95 Ca -0.07 1.31 0.17 0.00 -1.01 0.00 0.00 57.07 57.47 2hnb s TYR 95 Cb 0.19 -2.63 0.74 0.00 -0.11 0.00 0.00 41.96 40.16 2hnb s TYR 95 CO 0.73 -0.07 1.79 0.22 -1.11 0.00 0.00 175.55 177.12 2hnb h ASP 96 N 1.76 0.00 0.00 2.29 3.58 -1.82 -3.26 116.42 118.97 2hnb h ASP 96 Ca -0.48 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 56.97 2hnb h ASP 96 Cb 1.18 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 42.23 2hnb h ASP 96 CO 0.63 0.38 -0.44 0.41 -2.88 0.00 0.00 179.24 177.35 2hnb n THR 97 N -3.76 2.15 -0.26 2.25 -1.04 -1.19 -4.88 114.28 107.55 2hnb n THR 97 Ca -0.01 -3.10 0.24 0.00 -2.04 0.00 0.00 64.05 59.14 2hnb n THR 97 Cb 0.46 -0.23 0.58 0.00 -1.82 0.00 0.00 70.33 69.32 2hnb n THR 97 CO 0.00 0.00 0.00 2.19 -0.64 0.00 0.00 175.07 176.62 2hnb h PHE 98 N 0.86 0.41 0.00 -1.42 -0.00 -1.58 -1.83 116.94 113.37 2hnb h PHE 98 Ca -0.00 0.01 0.00 0.00 -0.00 0.00 0.00 57.97 57.98 2hnb h PHE 98 Cb 1.01 -0.12 0.00 0.00 -0.00 0.00 0.00 35.95 36.84 2hnb h PHE 98 CO 0.65 0.07 0.00 0.00 -0.00 0.00 0.00 178.31 179.03 2hnb h GLY 100 N 0.00 1.26 1.88 0.00 0.00 -1.67 -1.35 103.07 103.18 2hnb h GLY 100 Ca 0.00 -0.41 0.00 0.00 0.00 0.00 0.00 47.33 46.92 2hnb h GLY 100 CO 0.00 0.33 0.00 0.00 0.00 0.00 0.00 176.54 176.87 2hnb n ALA 101 N -2.40 1.60 0.27 3.60 0.00 -1.26 -1.56 120.51 120.76 2hnb n ALA 101 Ca 0.12 -0.05 0.11 0.00 0.00 0.00 0.00 53.44 53.63 2hnb n ALA 101 Cb 0.16 -1.19 0.73 0.00 0.00 0.00 0.00 19.45 19.14 2hnb n ALA 101 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.50 178.47 2hnb h ILE 102 N 0.00 0.78 -0.57 0.00 -0.00 -1.63 -2.49 117.51 113.61 2hnb h ILE 102 Ca 0.00 -0.19 -0.10 0.00 -0.00 0.00 0.00 64.86 64.57 2hnb h ILE 102 Cb 0.18 1.11 -0.02 0.00 -0.00 0.00 0.00 36.82 38.09 2hnb h ILE 102 CO 0.00 0.05 -0.02 -0.78 -0.00 0.00 0.00 178.15 177.40 2hnb h ASP 103 N 0.00 0.98 -0.15 2.19 3.58 -1.48 -0.87 116.42 120.67 2hnb h ASP 103 Ca -0.00 -0.28 0.01 0.00 0.42 0.00 0.00 57.03 57.18 2hnb h ASP 103 Cb 0.11 -0.26 -0.01 0.00 1.72 0.00 0.00 39.33 40.88 2hnb h ASP 103 CO 0.01 1.04 0.05 0.50 -2.88 0.00 0.00 179.24 177.96 2hnb h LYS 104 N 0.91 0.12 0.39 0.28 3.64 -1.63 -0.81 116.57 119.47 2hnb h LYS 104 Ca 0.16 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.52 2hnb h LYS 104 Cb 0.56 -0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 32.35 2hnb h LYS 104 CO 0.03 0.08 -0.23 -0.07 -2.27 0.00 0.00 179.45 176.99 2hnb h LEU 105 N 0.13 -0.58 -0.89 5.20 3.38 -1.22 -1.34 115.31 119.99 2hnb h LEU 105 Ca 0.06 0.03 -0.06 0.00 0.09 0.00 0.00 57.88 58.01 2hnb h LEU 105 Cb 0.03 0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.92 2hnb h LEU 105 CO -0.06 -0.37 0.14 1.05 0.09 0.00 0.00 178.44 179.29 2hnb h GLU 106 N -0.59 0.96 -0.30 1.13 4.11 -1.16 -2.98 114.58 115.74 2hnb h GLU 106 Ca -0.04 -0.21 -0.12 0.00 0.07 0.00 0.00 59.36 59.05 2hnb h GLU 106 Cb 0.48 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.59 2hnb h GLU 106 CO 0.05 0.86 -0.31 0.00 0.07 0.00 0.00 179.01 179.68 2hnb h ALA 107 N 1.24 0.90 -0.03 1.06 0.00 -0.84 -1.67 119.26 119.91 2hnb h ALA 107 Ca 0.19 -0.40 -0.18 0.00 0.00 0.00 0.00 54.91 54.53 2hnb h ALA 107 Cb 0.34 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 2hnb h ALA 107 CO 0.00 0.62 -0.78 0.93 0.00 0.00 0.00 179.25 180.03 2hnb h GLU 108 N 0.54 0.23 -0.37 0.00 5.08 -1.10 0.14 114.58 119.10 2hnb h GLU 108 Ca 0.06 -0.21 -0.15 0.00 -1.00 0.00 0.00 59.36 58.06 2hnb h GLU 108 Cb 0.80 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.09 2hnb h GLU 108 CO 0.07 0.90 -0.34 -0.07 -1.00 0.00 0.00 179.01 178.56 2hnb h LEU 109 N 0.15 0.90 -0.82 1.33 3.38 -1.46 -1.48 115.31 117.31 2hnb h LEU 109 Ca -0.03 -0.39 -0.02 0.00 0.09 0.00 0.00 57.88 57.52 2hnb h LEU 109 Cb 1.36 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 41.82 2hnb h LEU 109 CO 0.12 1.16 0.42 0.50 0.09 0.00 0.00 178.44 180.73 2hnb h LYS 110 N 0.71 1.17 -0.09 1.13 3.64 -0.90 -1.01 116.57 121.23 2hnb h LYS 110 Ca 0.07 -0.16 -0.06 0.00 -1.27 0.00 0.00 60.65 59.23 2hnb h LYS 110 Cb 0.91 -0.22 -0.01 0.00 -0.41 0.00 0.00 32.23 32.50 2hnb h LYS 110 CO 0.08 0.88 -0.21 -0.97 -2.27 0.00 0.00 179.45 176.96 2hnb h ASN 111 N 1.16 0.14 0.00 4.20 -1.24 -0.66 -0.74 115.58 118.44 2hnb h ASN 111 Ca 0.29 -0.03 0.00 0.00 0.71 0.00 0.00 56.30 57.26 2hnb h ASN 111 Cb 0.08 -0.04 0.00 0.00 0.73 0.00 0.00 38.32 39.09 2hnb h ASN 111 CO -0.04 0.36 0.00 -1.20 -1.29 0.00 0.00 177.43 175.26 2hnb n SER 112 N -4.23 0.00 0.00 1.15 7.64 -0.48 -4.89 113.62 112.81 2hnb n SER 112 Ca -0.01 -1.28 0.00 0.00 1.01 0.00 0.00 58.87 58.58 2hnb n SER 112 Cb 0.31 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.51 2hnb n SER 112 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2hnb n GLY 113 N 0.57 0.76 2.80 0.23 0.00 -0.28 -0.93 105.19 108.34 2hnb n GLY 113 Ca 0.11 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.88 2hnb n GLY 113 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2hnb n ALA 114 N -1.82 -3.57 -3.43 4.61 0.00 -0.62 -4.26 120.51 111.42 2hnb n ALA 114 Ca 0.00 -1.33 -0.13 0.00 0.00 0.00 0.00 53.44 51.99 2hnb n ALA 114 Cb 0.00 -0.10 -0.10 0.00 0.00 0.00 0.00 19.45 19.25 2hnb n ALA 114 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2hnb s LYS 115 N -4.92 0.53 1.14 0.00 -0.14 -1.02 -4.18 119.74 111.15 2hnb s LYS 115 Ca 0.58 0.70 -0.13 0.00 -1.36 0.00 0.00 55.97 55.76 2hnb s LYS 115 Cb -0.08 0.22 0.24 0.00 -1.68 0.00 0.00 37.83 36.54 2hnb s LYS 115 CO 0.46 -0.08 0.86 0.94 -0.76 0.00 0.00 175.35 176.77 2hnb n GLN 116 N 3.10 -2.11 -4.10 1.68 0.00 -1.26 -2.51 117.38 112.18 2hnb n GLN 116 Ca -0.15 -0.58 -0.13 0.00 -0.00 0.00 0.00 57.00 56.13 2hnb n GLN 116 Cb 0.57 -2.11 -0.11 0.00 0.00 0.00 0.00 30.24 28.58 2hnb n GLN 116 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.06 178.05 2hnb s THR 117 N -2.40 0.65 0.00 1.69 2.01 -0.56 -4.75 115.64 112.29 2hnb s THR 117 Ca 0.66 -1.25 0.00 0.00 0.31 0.00 0.00 61.69 61.41 2hnb s THR 117 Cb -0.23 -0.85 0.00 0.00 0.01 0.00 0.00 72.50 71.43 2hnb s THR 117 CO 0.65 -0.44 0.00 0.61 -0.69 0.00 0.00 174.62 174.75 2hnb n GLY 118 N 1.19 4.27 3.15 4.40 0.00 -1.26 -4.63 105.19 112.31 2hnb n GLY 118 Ca -0.21 0.12 -0.09 0.00 0.00 0.00 0.00 46.02 45.84 2hnb n GLY 118 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2hnb s GLU 119 N 0.00 0.88 0.16 1.61 0.41 -1.26 -5.15 118.70 115.35 2hnb s GLU 119 Ca 0.00 -1.37 -0.26 0.00 -0.41 0.00 0.00 54.97 52.93 2hnb s GLU 119 Cb 0.00 0.25 -0.08 0.00 -1.78 0.00 0.00 34.13 32.52 2hnb s GLU 119 CO 0.00 -0.24 0.80 0.99 -0.49 0.00 0.00 175.26 176.32 2hnb s THR 120 N -4.01 4.37 0.09 3.63 2.01 -1.26 -4.74 115.64 115.72 2hnb s THR 120 Ca 0.20 1.76 -0.03 0.00 0.31 0.00 0.00 61.69 63.93 2hnb s THR 120 Cb 0.07 -4.17 -0.05 0.00 0.01 0.00 0.00 72.50 68.37 2hnb s THR 120 CO -0.01 0.50 0.28 -0.22 -0.69 0.00 0.00 174.62 174.48 2hnb s LEU 121 N -0.99 4.32 0.07 4.42 2.96 -0.68 -5.01 118.68 123.78 2hnb s LEU 121 Ca 0.37 0.43 0.10 0.00 -0.22 0.00 0.00 54.13 54.81 2hnb s LEU 121 Cb -0.23 -3.07 -0.03 0.00 0.50 0.00 0.00 46.19 43.36 2hnb s LEU 121 CO 0.27 0.13 -0.25 -0.54 -1.32 0.00 0.00 176.35 174.64 2hnb s LYS 122 N -2.48 1.72 -0.31 1.98 3.01 -1.26 -1.22 119.74 121.19 2hnb s LYS 122 Ca 0.36 -1.17 -0.01 0.00 -1.01 0.00 0.00 55.97 54.14 2hnb s LYS 122 Cb -0.13 -1.99 0.10 0.00 -1.01 0.00 0.00 37.83 34.81 2hnb s LYS 122 CO 0.25 0.50 0.10 0.42 0.51 0.00 0.00 175.35 177.13 2hnb s ILE 123 N -0.91 0.73 0.31 2.17 1.01 -0.20 -4.94 121.20 119.37 2hnb s ILE 123 Ca 0.13 -1.30 -0.29 0.00 0.00 0.00 0.00 60.65 59.19 2hnb s ILE 123 Cb -0.10 -1.56 -0.10 0.00 0.01 0.00 0.00 42.46 40.71 2hnb s ILE 123 CO 0.04 -0.68 1.28 0.21 0.00 0.00 0.00 174.94 175.79 2hnb s ASN 124 N 1.69 6.85 -0.04 3.58 2.47 -1.26 -2.45 114.94 125.79 2hnb s ASN 124 Ca 0.10 2.60 0.05 0.00 0.42 0.00 0.00 52.86 56.03 2hnb s ASN 124 Cb -0.17 -2.64 0.08 0.00 -1.45 0.00 0.00 41.25 37.07 2hnb s ASN 124 CO -0.27 -0.48 0.94 2.30 -3.72 0.00 0.00 177.10 175.86 2hnb n ILE 125 N 1.13 0.77 -4.65 -5.21 -6.64 -0.49 -4.18 119.36 100.11 2hnb n ILE 125 Ca 0.01 -0.88 -0.25 0.00 -1.77 0.00 0.00 62.75 59.86 2hnb n ILE 125 Cb 0.42 0.39 -0.16 0.00 -1.44 0.00 0.00 39.64 38.85 2hnb n ILE 125 CO 0.00 0.00 0.00 -0.22 -1.77 0.00 0.00 176.55 174.56 2hnb s LEU 126 N -1.06 1.74 0.00 7.28 2.96 -1.26 -4.84 118.68 123.50 2hnb s LEU 126 Ca 0.09 -0.31 0.00 0.00 -0.22 0.00 0.00 54.13 53.69 2hnb s LEU 126 Cb 0.08 -0.85 0.00 0.00 0.50 0.00 0.00 46.19 45.92 2hnb s LEU 126 CO 0.01 0.07 0.00 -0.67 -1.32 0.00 0.00 176.35 174.44 2hnb n ASP 127 N 3.59 0.00 -3.81 3.68 2.03 -1.26 -4.71 116.55 116.07 2hnb n ASP 127 Ca -0.21 0.00 -0.14 0.00 0.52 0.00 0.00 54.79 54.96 2hnb n ASP 127 Cb 0.52 0.00 -0.08 0.00 -0.72 0.00 0.00 41.12 40.84 2hnb n ASP 127 CO 0.00 0.00 0.00 -1.00 -1.92 0.00 0.00 177.20 174.28 2hnb s HIS 128 N 0.00 1.20 0.00 -0.67 3.76 -1.26 -5.18 115.29 113.14 2hnb s HIS 128 Ca 0.00 -1.36 0.00 0.00 -0.15 0.00 0.00 55.06 53.55 2hnb s HIS 128 Cb 0.00 -0.43 0.00 0.00 1.11 0.00 0.00 32.58 33.26 2hnb s HIS 128 CO 0.00 -0.82 0.00 -3.47 -0.85 0.00 0.00 174.74 169.60 2hnb n ASP 129 N -0.79 0.00 -2.55 1.40 2.03 -1.26 -3.88 116.55 111.50 2hnb n ASP 129 Ca 0.03 0.00 -0.09 0.00 0.52 0.00 0.00 54.79 55.25 2hnb n ASP 129 Cb 0.64 0.00 0.04 0.00 -0.72 0.00 0.00 41.12 41.08 2hnb n ASP 129 CO 0.00 0.00 0.00 2.30 -1.92 0.00 0.00 177.20 177.58 2hnb n ILE 130 N 0.00 1.72 0.25 5.18 -5.35 -1.26 -4.66 119.36 115.23 2hnb n ILE 130 Ca 0.00 -3.38 0.11 0.00 -0.27 0.00 0.00 62.75 59.21 2hnb n ILE 130 Cb 0.00 0.44 0.67 0.00 -1.74 0.00 0.00 39.64 39.00 2hnb n ILE 130 CO 0.00 0.00 0.00 1.55 -1.76 0.00 0.00 176.55 176.34 2hnb h PRO 131 N 2.46 0.00 0.00 6.28 0.13 -1.99 -1.44 132.00 137.44 2hnb h PRO 131 Ca 0.04 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.17 2hnb h PRO 131 Cb 1.36 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.49 2hnb h PRO 131 CO 0.39 0.15 -0.06 -0.85 -0.23 0.00 0.00 178.00 177.39 2hnb n GLU 132 N -3.70 0.05 -2.89 0.86 0.28 -1.26 -4.36 120.64 109.62 2hnb n GLU 132 Ca -0.02 0.03 -0.13 0.00 -0.16 0.00 0.00 57.16 56.89 2hnb n GLU 132 Cb 0.26 -1.55 0.03 0.00 1.43 0.00 0.00 31.44 31.62 2hnb n GLU 132 CO 0.00 0.00 0.00 -3.47 -0.16 0.00 0.00 177.13 173.50 2hnb n ASP 133 N -1.63 -1.50 -4.75 -1.84 2.03 -0.58 -5.15 116.55 103.13 2hnb n ASP 133 Ca 0.07 -3.33 -0.32 0.00 0.52 0.00 0.00 54.79 51.72 2hnb n ASP 133 Cb 0.36 1.05 0.09 0.00 -0.72 0.00 0.00 41.12 41.89 2hnb n ASP 133 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 2hnb s PRO 134 N -0.38 2.17 0.44 -0.67 0.04 -0.97 -4.87 135.00 130.76 2hnb s PRO 134 Ca 0.30 1.37 0.15 0.00 0.04 0.00 0.00 61.00 62.86 2hnb s PRO 134 Cb 0.27 -1.87 1.06 0.00 0.04 0.00 0.00 34.50 34.00 2hnb s PRO 134 CO -0.11 -1.74 1.97 0.00 0.04 0.00 0.00 177.00 177.16 2hnb h ALA 135 N -0.84 2.06 -0.99 8.56 0.00 -1.99 -1.43 119.26 124.65 2hnb h ALA 135 Ca -0.45 -0.01 0.08 0.00 0.00 0.00 0.00 54.91 54.54 2hnb h ALA 135 Cb 1.25 -0.07 -0.07 0.00 0.00 0.00 0.00 17.79 18.90 2hnb h ALA 135 CO 0.50 -0.21 0.63 1.49 0.00 0.00 0.00 179.25 181.66 2hnb h GLU 136 N 0.38 1.06 -0.10 0.00 4.81 -1.98 0.84 114.58 119.59 2hnb h GLU 136 Ca 0.29 -0.06 -0.18 0.00 -0.13 0.00 0.00 59.36 59.28 2hnb h GLU 136 Cb 0.63 -0.24 0.01 0.00 0.63 0.00 0.00 28.75 29.78 2hnb h GLU 136 CO -0.08 0.70 -0.64 1.49 -0.73 0.00 0.00 179.01 179.76 2hnb h GLU 137 N 1.09 0.61 -0.30 1.92 4.81 -1.62 -0.66 114.58 120.43 2hnb h GLU 137 Ca 0.45 -0.52 -0.12 0.00 -0.13 0.00 0.00 59.36 59.04 2hnb h GLU 137 Cb 0.28 0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.76 2hnb h GLU 137 CO -0.21 1.14 -0.31 2.35 -0.73 0.00 0.00 179.01 181.25 2hnb h TRP 138 N 0.24 0.75 -0.89 0.92 2.91 -1.44 -1.83 115.95 116.61 2hnb h TRP 138 Ca -0.05 -0.19 -0.01 0.00 1.13 0.00 0.00 58.89 59.77 2hnb h TRP 138 Cb 1.28 -0.17 -0.04 0.00 -0.51 0.00 0.00 29.16 29.72 2hnb h TRP 138 CO 0.11 0.88 0.51 1.25 -1.03 0.00 0.00 178.44 180.16 2hnb h LEU 139 N 0.55 1.09 -0.53 0.65 5.85 -0.81 -1.48 115.31 120.63 2hnb h LEU 139 Ca 0.06 -0.08 0.10 0.00 0.84 0.00 0.00 57.88 58.81 2hnb h LEU 139 Cb 0.81 -0.28 -0.09 0.00 0.37 0.00 0.00 40.66 41.48 2hnb h LEU 139 CO 0.07 0.85 0.01 1.23 -0.34 0.00 0.00 178.44 180.26 2hnb h GLY 140 N 1.24 0.56 1.02 3.75 0.00 -0.34 -0.21 103.07 109.09 2hnb h GLY 140 Ca 0.32 0.06 -0.02 0.00 0.00 0.00 0.00 47.33 47.68 2hnb h GLY 140 CO -0.06 -0.15 0.39 1.76 0.00 0.00 0.00 176.54 178.49 2hnb h SER 141 N 0.13 0.96 0.07 0.19 0.02 -0.63 -1.10 113.55 113.20 2hnb h SER 141 Ca 0.27 -0.12 -0.00 0.00 -0.84 0.00 0.00 61.79 61.10 2hnb h SER 141 Cb 0.41 -0.25 0.00 0.00 0.14 0.00 0.00 62.40 62.70 2hnb h SER 141 CO -0.43 0.81 -0.03 -0.50 -1.14 0.00 0.00 176.83 175.53 2hnb h TRP 142 N 1.05 -0.09 -0.32 3.45 6.55 -0.47 -2.51 115.95 123.61 2hnb h TRP 142 Ca 0.26 -0.00 -0.05 0.00 0.95 0.00 0.00 58.89 60.05 2hnb h TRP 142 Cb 0.08 0.03 -0.02 0.00 -0.86 0.00 0.00 29.16 28.39 2hnb h TRP 142 CO 0.00 0.08 -0.01 -0.39 -1.05 0.00 0.00 178.44 177.07 2hnb h VAL 143 N -0.24 1.19 0.00 1.49 -1.51 -0.92 0.25 116.25 116.51 2hnb h VAL 143 Ca -0.01 -0.78 -0.01 0.00 -1.23 0.00 0.00 66.70 64.68 2hnb h VAL 143 Cb 0.21 0.97 -0.00 0.00 -2.13 0.00 0.00 31.29 30.33 2hnb h VAL 143 CO 0.02 0.26 -0.03 -1.13 -1.23 0.00 0.00 177.57 175.46 2hnb h ASN 144 N 0.48 0.00 0.00 4.19 -0.73 -1.04 -1.51 115.58 116.97 2hnb h ASN 144 Ca 0.10 0.00 -0.43 0.00 1.87 0.00 0.00 56.30 57.84 2hnb h ASN 144 Cb 0.33 0.00 -0.06 0.00 0.27 0.00 0.00 38.32 38.86 2hnb h ASN 144 CO 0.01 0.03 -2.35 0.18 -0.37 0.00 0.00 177.43 174.94 2hnb n LEU 145 N -3.24 1.97 0.20 0.34 4.77 -0.61 -4.61 117.00 115.81 2hnb n LEU 145 Ca -0.01 0.34 0.05 0.00 -0.03 0.00 0.00 56.01 56.36 2hnb n LEU 145 Cb 0.20 -0.85 0.39 0.00 -2.33 0.00 0.00 43.42 40.84 2hnb n LEU 145 CO 0.25 0.54 0.72 0.17 -1.33 0.00 0.00 177.39 177.75 2hnb h LEU 146 N -0.98 0.00 0.00 2.23 8.10 -1.00 -3.52 115.31 120.15 2hnb h LEU 146 Ca -0.65 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.34 2hnb h LEU 146 Cb 1.58 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 41.80 2hnb h LEU 146 CO -0.39 0.35 0.00 0.29 -4.11 0.00 0.00 178.44 174.59