#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hnb s ALA 2 N 0.00 2.08 0.00 -5.12 0.00 -1.26 -4.75 121.76 112.70 2hnb s ALA 2 Ca 0.00 0.38 0.00 0.00 0.00 0.00 0.00 51.96 52.34 2hnb s ALA 2 Cb 0.00 -3.32 0.00 0.00 0.00 0.00 0.00 23.12 19.80 2hnb s ALA 2 CO 0.00 -1.98 0.00 -3.47 0.00 0.00 0.00 175.76 170.31 2hnb n ASP 3 N -3.61 1.01 -3.65 0.00 2.03 -0.38 -4.89 116.55 107.05 2hnb n ASP 3 Ca 0.10 0.00 -0.28 0.00 0.52 0.00 0.00 54.79 55.13 2hnb n ASP 3 Cb 0.53 0.15 -0.12 0.00 -0.72 0.00 0.00 41.12 40.96 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 -0.81 1.51 -0.25 5.18 1.01 -0.18 -4.43 121.20 123.23 2hnb s ILE 4 Ca 0.00 -3.19 -0.29 0.00 0.00 0.00 0.00 60.65 57.17 2hnb s ILE 4 Cb 0.00 -2.02 -0.00 0.00 0.01 0.00 0.00 42.46 40.44 2hnb s ILE 4 CO 0.00 -1.06 1.27 -0.89 0.00 0.00 0.00 174.94 174.26 2hnb s THR 5 N -0.39 4.22 0.54 2.92 2.01 -1.20 -3.61 115.64 120.13 2hnb s THR 5 Ca 0.26 1.42 -0.18 0.00 0.31 0.00 0.00 61.69 63.49 2hnb s THR 5 Cb -0.07 -4.12 -0.06 0.00 0.01 0.00 0.00 72.50 68.26 2hnb s THR 5 CO -0.13 -0.35 1.06 -0.76 -0.69 0.00 0.00 174.62 173.75 2hnb s LEU 6 N 4.02 3.69 -0.33 4.42 1.02 0.94 -2.77 118.68 129.68 2hnb s LEU 6 Ca 0.55 1.92 0.03 0.00 0.02 0.00 0.00 54.13 56.65 2hnb s LEU 6 Cb -0.18 -4.55 0.10 0.00 0.02 0.00 0.00 46.19 41.58 2hnb s LEU 6 CO 0.19 -1.01 0.06 -0.63 0.02 0.00 0.00 176.35 174.99 2hnb s ILE 7 N -2.14 2.01 -0.22 -0.59 1.01 0.23 -1.01 121.20 120.49 2hnb s ILE 7 Ca 0.67 -2.16 -0.17 0.00 0.00 0.00 0.00 60.65 58.99 2hnb s ILE 7 Cb -0.17 -2.49 -0.04 0.00 0.01 0.00 0.00 42.46 39.77 2hnb s ILE 7 CO 0.28 -0.61 0.43 -0.44 0.00 0.00 0.00 174.94 174.60 2hnb s SER 8 N 1.04 6.44 -0.53 3.58 0.01 0.25 -1.25 113.70 123.24 2hnb s SER 8 Ca 0.11 0.52 0.07 0.00 1.31 0.00 0.00 55.95 57.95 2hnb s SER 8 Cb -0.19 -2.25 0.34 0.00 0.21 0.00 0.00 66.02 64.14 2hnb s SER 8 CO -0.11 -0.14 0.89 0.61 0.41 0.00 0.00 173.24 174.90 2hnb n GLY 9 N 4.07 5.13 3.39 3.44 0.00 0.13 -0.97 105.19 120.38 2hnb n GLY 9 Ca -0.07 -2.53 -0.33 0.00 0.00 0.00 0.00 46.02 43.09 2hnb n GLY 9 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2hnb s SER 10 N -3.20 3.86 0.00 1.61 0.01 -1.26 -0.75 113.70 113.96 2hnb s SER 10 Ca 0.47 -0.31 0.00 0.00 1.31 0.00 0.00 55.95 57.42 2hnb s SER 10 Cb 0.29 -1.20 0.00 0.00 0.21 0.00 0.00 66.02 65.33 2hnb s SER 10 CO -0.12 0.25 0.00 0.35 0.41 0.00 0.00 173.24 174.12 2hnb n THR 11 N 2.96 0.00 0.59 1.44 -2.24 -1.26 -4.89 114.28 110.88 2hnb n THR 11 Ca -0.18 0.00 0.06 0.00 -2.27 0.00 0.00 64.05 61.66 2hnb n THR 11 Cb 0.52 -0.04 0.31 0.00 -2.10 0.00 0.00 70.33 69.01 2hnb n THR 11 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2hnb n LEU 12 N -0.67 0.00 0.00 3.22 4.77 -1.26 -4.88 117.00 118.18 2hnb n LEU 12 Ca 0.00 0.24 0.00 0.00 -0.03 0.00 0.00 56.01 56.22 2hnb n LEU 12 Cb 0.02 -0.24 0.00 0.00 -2.33 0.00 0.00 43.42 40.88 2hnb n LEU 12 CO 0.00 -0.15 0.00 0.61 -1.33 0.00 0.00 177.39 176.52 2hnb n GLY 13 N -0.29 1.52 0.22 -0.72 0.00 -1.26 -4.62 105.19 100.04 2hnb n GLY 13 Ca 0.06 -0.06 -0.06 0.00 0.00 0.00 0.00 46.02 45.96 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 0.75 2.00 -0.02 0.00 -1.98 0.30 103.07 104.12 2hnb h GLY 14 Ca 0.00 -0.25 -0.05 0.00 0.00 0.00 0.00 47.33 47.02 2hnb h GLY 14 CO 0.00 0.23 -0.24 0.00 0.00 0.00 0.00 176.54 176.53 2hnb h ALA 15 N 1.22 1.42 -0.03 3.60 0.00 -1.96 -0.05 119.26 123.46 2hnb h ALA 15 Ca 0.21 -0.22 -0.26 0.00 0.00 0.00 0.00 54.91 54.64 2hnb h ALA 15 Cb -0.02 -0.04 0.02 0.00 0.00 0.00 0.00 17.79 17.75 2hnb h ALA 15 CO -0.08 0.30 -0.99 0.93 0.00 0.00 0.00 179.25 179.41 2hnb h GLU 16 N 0.00 0.73 -0.67 0.00 5.08 -1.55 -1.39 114.58 116.78 2hnb h GLU 16 Ca -0.00 -0.74 -0.08 0.00 -1.00 0.00 0.00 59.36 57.54 2hnb h GLU 16 Cb 0.48 0.20 -0.03 0.00 0.50 0.00 0.00 28.75 29.90 2hnb h GLU 16 CO 0.03 1.32 0.10 1.88 -1.00 0.00 0.00 179.01 181.33 2hnb h TYR 17 N 0.43 1.19 -0.02 4.33 0.05 -0.59 -1.15 116.97 121.21 2hnb h TYR 17 Ca -0.11 -0.17 0.02 0.00 0.05 0.00 0.00 58.73 58.51 2hnb h TYR 17 Cb 1.64 -0.32 -0.02 0.00 1.01 0.00 0.00 36.73 39.03 2hnb h TYR 17 CO 0.10 1.00 -0.09 0.28 -1.05 0.00 0.00 178.16 178.40 2hnb h VAL 18 N 1.04 0.75 -0.59 -2.88 2.07 -1.00 0.34 116.25 115.98 2hnb h VAL 18 Ca 0.20 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.71 2hnb h VAL 18 Cb 0.46 0.75 -0.03 0.00 -1.52 0.00 0.00 31.29 30.96 2hnb h VAL 18 CO 0.02 0.00 0.32 0.00 0.02 0.00 0.00 177.57 177.93 2hnb h ALA 19 N 0.84 0.75 -0.32 1.67 0.00 -0.92 0.33 119.26 121.62 2hnb h ALA 19 Ca 0.04 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 2hnb h ALA 19 Cb 0.21 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 2hnb h ALA 19 CO -0.11 0.27 0.07 1.49 0.00 0.00 0.00 179.25 180.97 2hnb h GLU 20 N 0.79 0.51 -0.18 0.00 4.81 -1.05 -0.90 114.58 118.56 2hnb h GLU 20 Ca 0.21 -0.13 0.00 0.00 -0.13 0.00 0.00 59.36 59.31 2hnb h GLU 20 Cb 0.04 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.34 2hnb h GLU 20 CO -0.03 0.59 0.11 1.25 -0.73 0.00 0.00 179.01 180.20 2hnb h HIS 21 N 0.35 0.21 -0.40 0.92 2.76 -0.69 -1.18 115.15 117.13 2hnb h HIS 21 Ca 0.10 0.01 0.01 0.00 -2.20 0.00 0.00 60.37 58.28 2hnb h HIS 21 Cb 0.31 -0.07 -0.02 0.00 1.55 0.00 0.00 27.41 29.18 2hnb h HIS 21 CO 0.02 0.13 0.26 -0.07 -1.30 0.00 0.00 177.93 176.97 2hnb h LEU 22 N 0.23 0.45 0.01 0.26 3.38 -0.82 -0.34 115.31 118.48 2hnb h LEU 22 Ca 0.07 -0.01 0.01 0.00 0.09 0.00 0.00 57.88 58.04 2hnb h LEU 22 Cb -0.02 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 2hnb h LEU 22 CO -0.02 0.33 -0.05 0.00 0.09 0.00 0.00 178.44 178.79 2hnb h ALA 23 N 1.15 -0.05 -0.28 1.53 0.00 -0.92 -0.09 119.26 120.61 2hnb h ALA 23 Ca 0.15 0.00 0.02 0.00 0.00 0.00 0.00 54.91 55.08 2hnb h ALA 23 Cb -0.05 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 2hnb h ALA 23 CO -0.04 -0.54 0.15 1.49 0.00 0.00 0.00 179.25 180.31 2hnb h GLU 24 N -0.08 0.30 -0.52 0.00 4.57 -0.97 -1.28 114.58 116.59 2hnb h GLU 24 Ca 0.02 -0.02 -0.09 0.00 -1.18 0.00 0.00 59.36 58.09 2hnb h GLU 24 Cb 0.10 -0.07 -0.02 0.00 -0.16 0.00 0.00 28.75 28.61 2hnb h GLU 24 CO -0.04 0.20 -0.03 0.87 -1.18 0.00 0.00 179.01 178.82 2hnb h LYS 25 N 0.31 0.91 -0.64 1.92 1.79 -0.86 -1.24 116.57 118.76 2hnb h LYS 25 Ca 0.11 -0.28 -0.09 0.00 -2.18 0.00 0.00 60.65 58.21 2hnb h LYS 25 Cb 0.03 -0.09 -0.02 0.00 -1.58 0.00 0.00 32.23 30.56 2hnb h LYS 25 CO -0.07 0.93 0.04 -0.07 -1.08 0.00 0.00 179.45 179.20 2hnb h LEU 26 N 0.84 1.07 -0.75 2.94 3.38 -0.73 0.31 115.31 122.35 2hnb h LEU 26 Ca 0.15 -0.29 -0.06 0.00 0.09 0.00 0.00 57.88 57.78 2hnb h LEU 26 Cb 0.54 -0.29 -0.03 0.00 0.09 0.00 0.00 40.66 40.97 2hnb h LEU 26 CO 0.03 1.09 0.24 -0.33 0.09 0.00 0.00 178.44 179.56 2hnb h GLU 27 N 1.01 1.16 -0.50 1.13 5.08 -0.85 0.13 114.58 121.74 2hnb h GLU 27 Ca 0.19 -0.25 -0.08 0.00 -1.00 0.00 0.00 59.36 58.22 2hnb h GLU 27 Cb 0.52 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.58 2hnb h GLU 27 CO 0.02 0.98 -0.02 0.93 -1.00 0.00 0.00 179.01 179.93 2hnb h GLU 28 N 1.12 0.86 0.00 2.33 4.39 -1.03 -2.56 114.58 119.68 2hnb h GLU 28 Ca 0.24 -0.25 -0.02 0.00 0.34 0.00 0.00 59.36 59.67 2hnb h GLU 28 Cb 0.30 -0.09 -0.00 0.00 -0.10 0.00 0.00 28.75 28.86 2hnb h GLU 28 CO -0.01 0.87 -0.11 0.00 -1.16 0.00 0.00 179.01 178.60 2hnb h ALA 29 N 1.18 1.06 0.00 3.43 0.00 -0.35 -3.47 119.26 121.12 2hnb h ALA 29 Ca 0.15 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.96 2hnb h ALA 29 Cb 0.50 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.27 2hnb h ALA 29 CO 0.03 0.13 0.00 0.41 0.00 0.00 0.00 179.25 179.82 2hnb n GLY 30 N -0.14 1.92 3.02 0.00 0.00 -0.13 -5.07 105.19 104.78 2hnb n GLY 30 Ca -0.00 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.76 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 1.62 0.51 1.61 0.08 -0.24 -5.00 117.98 114.56 2hnb s PHE 31 Ca 0.00 -0.67 -0.20 0.00 0.12 0.00 0.00 56.93 56.18 2hnb s PHE 31 Cb 0.00 -1.19 -0.07 0.00 -0.57 0.00 0.00 43.02 41.18 2hnb s PHE 31 CO 0.00 -0.36 1.08 0.95 -0.10 0.00 0.00 175.22 176.79 2hnb s THR 32 N 0.85 3.51 0.27 0.64 -4.23 -1.26 -2.85 115.64 112.58 2hnb s THR 32 Ca -0.11 0.95 0.02 0.00 -1.18 0.00 0.00 61.69 61.37 2hnb s THR 32 Cb -0.15 -3.39 -0.05 0.00 1.34 0.00 0.00 72.50 70.25 2hnb s THR 32 CO 0.01 -0.19 0.09 0.42 -0.54 0.00 0.00 174.62 174.41 2hnb s THR 33 N -1.87 0.62 0.14 3.99 -4.23 -1.26 -1.01 115.64 112.02 2hnb s THR 33 Ca 0.69 -2.00 -0.14 0.00 -1.18 0.00 0.00 61.69 59.07 2hnb s THR 33 Cb -0.20 -2.65 0.02 0.00 1.34 0.00 0.00 72.50 71.01 2hnb s THR 33 CO 0.23 0.00 0.37 -0.70 -0.54 0.00 0.00 174.62 173.98 2hnb s GLU 34 N -4.01 1.12 -0.50 3.99 2.56 -1.24 -4.64 118.70 115.98 2hnb s GLU 34 Ca 0.38 -0.89 0.04 0.00 0.00 0.00 0.00 54.97 54.50 2hnb s GLU 34 Cb 0.08 0.44 0.16 0.00 2.00 0.00 0.00 34.13 36.81 2hnb s GLU 34 CO 0.14 -0.43 0.35 0.95 -0.56 0.00 0.00 175.26 175.71 2hnb s THR 35 N -3.86 1.35 -0.37 -1.70 -4.23 -1.26 -0.04 115.64 105.53 2hnb s THR 35 Ca 0.08 -3.06 -0.29 0.00 -1.18 0.00 0.00 61.69 57.24 2hnb s THR 35 Cb 0.02 -1.92 -0.01 0.00 1.34 0.00 0.00 72.50 71.94 2hnb s THR 35 CO -0.07 -1.07 1.62 -0.76 -0.54 0.00 0.00 174.62 173.80 2hnb s LEU 36 N -0.27 3.54 -0.49 4.79 1.43 -0.18 -4.80 118.68 122.69 2hnb s LEU 36 Ca 0.26 1.09 -0.29 0.00 -1.03 0.00 0.00 54.13 54.16 2hnb s LEU 36 Cb -0.07 -3.53 0.02 0.00 0.03 0.00 0.00 46.19 42.64 2hnb s LEU 36 CO -0.13 -1.58 1.22 -1.00 0.23 0.00 0.00 176.35 175.10 2hnb s HIS 37 N 6.20 2.65 -1.24 0.29 3.76 -1.26 -0.59 115.29 125.10 2hnb s HIS 37 Ca 0.71 0.63 -0.01 0.00 -0.15 0.00 0.00 55.06 56.24 2hnb s HIS 37 Cb -0.18 -4.43 -0.00 0.00 1.11 0.00 0.00 32.58 29.07 2hnb s HIS 37 CO 0.33 -1.53 0.84 0.41 -0.85 0.00 0.00 174.74 173.94 2hnb n GLY 38 N 4.97 -0.38 3.56 -2.22 0.00 -0.15 -4.98 105.19 106.00 2hnb n GLY 38 Ca 0.12 0.15 -0.30 0.00 0.00 0.00 0.00 46.02 45.99 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 -5.64 -1.14 0.20 1.61 0.04 -1.26 -4.76 135.00 124.06 2hnb s PRO 39 Ca 0.04 0.15 0.10 0.00 0.04 0.00 0.00 61.00 61.32 2hnb s PRO 39 Cb -0.01 -1.59 -0.04 0.00 0.04 0.00 0.00 34.50 32.90 2hnb s PRO 39 CO 0.78 -3.70 -0.19 -0.51 0.04 0.00 0.00 177.00 173.42 2hnb s LEU 40 N -7.01 2.49 0.43 -3.56 1.43 -1.26 -4.66 118.68 106.55 2hnb s LEU 40 Ca 0.69 -0.93 0.13 0.00 -1.03 0.00 0.00 54.13 52.99 2hnb s LEU 40 Cb -0.13 -0.91 0.95 0.00 0.03 0.00 0.00 46.19 46.12 2hnb s LEU 40 CO 0.57 -0.02 1.97 0.25 0.23 0.00 0.00 176.35 179.36 2hnb h LEU 41 N 2.90 0.05 0.00 1.79 5.85 -1.91 -1.24 115.31 122.75 2hnb h LEU 41 Ca -0.42 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.29 2hnb h LEU 41 Cb 1.22 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 42.24 2hnb h LEU 41 CO 0.55 0.23 0.00 -1.84 -0.34 0.00 0.00 178.44 177.03 2hnb n GLU 42 N -4.31 0.03 -0.13 1.25 0.28 -1.26 -1.97 120.64 114.53 2hnb n GLU 42 Ca -0.02 0.33 0.08 0.00 -0.16 0.00 0.00 57.16 57.39 2hnb n GLU 42 Cb 0.25 -1.50 0.14 0.00 1.43 0.00 0.00 31.44 31.76 2hnb n GLU 42 CO 0.00 0.00 0.00 -3.47 -0.16 0.00 0.00 177.13 173.50 2hnb n ASP 43 N -1.43 2.59 -4.17 -1.84 2.03 -0.47 -4.99 116.55 108.27 2hnb n ASP 43 Ca 0.02 -2.89 -0.24 0.00 0.52 0.00 0.00 54.79 52.20 2hnb n ASP 43 Cb 0.07 -0.38 -0.15 0.00 -0.72 0.00 0.00 41.12 39.94 2hnb n ASP 43 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 2hnb s LEU 44 N -2.55 2.09 0.80 -2.67 1.43 -0.83 -4.93 118.68 112.00 2hnb s LEU 44 Ca 0.29 -0.38 -0.11 0.00 -1.03 0.00 0.00 54.13 52.90 2hnb s LEU 44 Cb 0.25 -0.84 0.07 0.00 0.03 0.00 0.00 46.19 45.69 2hnb s LEU 44 CO 0.04 0.17 1.09 -2.16 0.23 0.00 0.00 176.35 175.71 2hnb s PRO 45 N -0.70 2.09 -0.01 1.29 0.04 -1.26 -4.94 135.00 131.50 2hnb s PRO 45 Ca 0.06 0.91 0.00 0.00 0.04 0.00 0.00 61.00 62.01 2hnb s PRO 45 Cb -0.07 -1.90 0.03 0.00 0.04 0.00 0.00 34.50 32.60 2hnb s PRO 45 CO 0.00 -1.69 0.61 0.00 0.04 0.00 0.00 177.00 175.96 2hnb n ALA 46 N -3.52 2.56 -3.44 8.56 0.00 -1.26 -4.78 120.51 118.63 2hnb n ALA 46 Ca 0.08 -0.07 -0.16 0.00 0.00 0.00 0.00 53.44 53.28 2hnb n ALA 46 Cb 0.54 -1.01 -0.07 0.00 0.00 0.00 0.00 19.45 18.92 2hnb n ALA 46 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2hnb s SER 47 N 0.10 -0.52 0.00 0.00 1.04 -1.26 -3.25 113.70 109.81 2hnb s SER 47 Ca 0.02 0.54 0.00 0.00 0.48 0.00 0.00 55.95 56.99 2hnb s SER 47 Cb 0.01 0.49 0.00 0.00 0.10 0.00 0.00 66.02 66.62 2hnb s SER 47 CO 0.01 -0.55 0.00 0.61 0.98 0.00 0.00 173.24 174.28 2hnb n GLY 48 N 1.06 0.58 3.08 7.32 0.00 -1.21 -4.86 105.19 111.16 2hnb n GLY 48 Ca -0.20 -1.74 -0.33 0.00 0.00 0.00 0.00 46.02 43.76 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 -1.36 2.60 0.43 -0.61 1.01 -1.26 -0.92 121.20 121.09 2hnb s ILE 49 Ca 0.00 -2.01 0.08 0.00 0.00 0.00 0.00 60.65 58.72 2hnb s ILE 49 Cb 0.00 -2.75 -0.00 0.00 0.01 0.00 0.00 42.46 39.72 2hnb s ILE 49 CO 0.00 -0.44 0.45 0.26 0.00 0.00 0.00 174.94 175.21 2hnb s TRP 50 N 1.04 2.62 -0.25 3.97 0.23 -0.11 -3.21 118.94 123.24 2hnb s TRP 50 Ca 0.04 -0.50 -0.02 0.00 -2.03 0.00 0.00 56.10 53.60 2hnb s TRP 50 Cb -0.20 -2.22 0.13 0.00 0.03 0.00 0.00 33.47 31.20 2hnb s TRP 50 CO -0.06 -0.27 0.32 -1.17 0.96 0.00 0.00 176.95 176.73 2hnb s LEU 51 N -4.22 -0.40 0.05 2.99 2.96 -1.11 -2.71 118.68 116.23 2hnb s LEU 51 Ca 0.50 -0.21 -0.21 0.00 -0.22 0.00 0.00 54.13 53.99 2hnb s LEU 51 Cb -0.05 0.75 -0.06 0.00 0.50 0.00 0.00 46.19 47.33 2hnb s LEU 51 CO 0.29 -0.34 0.63 -0.69 -1.32 0.00 0.00 176.35 174.93 2hnb s VAL 52 N 2.44 4.77 -0.07 1.68 1.01 0.09 -0.60 120.40 129.71 2hnb s VAL 52 Ca 0.10 1.34 0.01 0.00 0.00 0.00 0.00 61.98 63.43 2hnb s VAL 52 Cb -0.15 -3.97 0.02 0.00 0.00 0.00 0.00 36.38 32.28 2hnb s VAL 52 CO -0.20 0.47 -0.07 -0.63 0.00 0.00 0.00 175.10 174.67 2hnb s ILE 53 N -0.57 0.77 -0.07 2.22 1.09 -0.38 -1.60 121.20 122.66 2hnb s ILE 53 Ca 0.32 -0.22 -0.01 0.00 -1.10 0.00 0.00 60.65 59.64 2hnb s ILE 53 Cb -0.19 -0.78 0.03 0.00 -1.06 0.00 0.00 42.46 40.45 2hnb s ILE 53 CO 0.20 0.29 -0.01 -0.44 -0.10 0.00 0.00 174.94 174.88 2hnb s SER 54 N 1.13 1.60 1.06 3.58 0.01 -0.62 -0.69 113.70 119.76 2hnb s SER 54 Ca -0.07 -0.10 -0.06 0.00 1.31 0.00 0.00 55.95 57.03 2hnb s SER 54 Cb -0.14 -0.47 0.08 0.00 0.21 0.00 0.00 66.02 65.70 2hnb s SER 54 CO -0.01 -0.18 0.33 -1.20 0.41 0.00 0.00 173.24 172.58 2hnb n SER 55 N 5.09 -1.04 -4.15 2.44 7.64 0.07 -1.10 113.62 122.56 2hnb n SER 55 Ca -0.08 -0.78 -0.23 0.00 1.01 0.00 0.00 58.87 58.79 2hnb n SER 55 Cb 0.50 -0.29 -0.15 0.00 -1.01 0.00 0.00 64.21 63.26 2hnb n SER 55 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 2hnb s THR 56 N -1.62 1.27 -1.81 0.44 -4.23 -0.96 -4.24 115.64 104.48 2hnb s THR 56 Ca 0.21 -0.78 0.00 0.00 -1.18 0.00 0.00 61.69 59.94 2hnb s THR 56 Cb -0.02 -1.08 0.00 0.00 1.34 0.00 0.00 72.50 72.75 2hnb s THR 56 CO 0.16 0.28 0.78 1.57 -0.54 0.00 0.00 174.62 176.87 2hnb n HIS 57 N 2.48 0.00 -1.63 3.99 -0.00 0.17 -4.78 115.22 115.44 2hnb n HIS 57 Ca -0.15 0.00 -0.12 0.00 0.46 0.00 0.00 57.72 57.91 2hnb n HIS 57 Cb 0.54 -0.02 -0.03 0.00 -0.12 0.00 0.00 29.99 30.36 2hnb n HIS 57 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 2hnb n GLY 58 N 0.30 0.81 0.00 1.57 0.00 -1.26 -4.86 105.19 101.75 2hnb n GLY 58 Ca 0.00 -0.47 0.00 0.00 0.00 0.00 0.00 46.02 45.55 2hnb n GLY 58 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2hnb n ALA 59 N 0.29 0.85 -2.46 4.61 0.00 -1.26 -4.90 120.51 117.63 2hnb n ALA 59 Ca -0.12 -0.42 -0.07 0.00 0.00 0.00 0.00 53.44 52.82 2hnb n ALA 59 Cb 0.45 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.91 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 0.00 0.27 3.15 0.00 0.00 -1.26 -4.88 105.19 102.47 2hnb n GLY 60 Ca 0.00 -0.50 -0.11 0.00 0.00 0.00 0.00 46.02 45.41 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 -2.88 0.03 0.54 1.61 2.15 -1.26 -4.71 116.67 112.14 2hnb s ASP 61 Ca 0.09 -0.29 -0.21 0.00 0.43 0.00 0.00 52.55 52.57 2hnb s ASP 61 Cb -0.04 0.25 -0.05 0.00 -0.30 0.00 0.00 42.92 42.78 2hnb s ASP 61 CO 0.11 -0.48 1.22 -0.63 -0.17 0.00 0.00 175.17 175.22 2hnb s ILE 62 N -2.06 2.69 0.59 4.11 1.09 -1.26 -0.66 121.20 125.70 2hnb s ILE 62 Ca -0.09 0.47 -0.18 0.00 -1.10 0.00 0.00 60.65 59.75 2hnb s ILE 62 Cb -0.04 -3.22 -0.06 0.00 -1.06 0.00 0.00 42.46 38.08 2hnb s ILE 62 CO -0.01 -0.05 0.81 -2.65 -0.10 0.00 0.00 174.94 172.94 2hnb n PRO 63 N -1.10 0.76 0.22 2.79 -0.02 -1.26 -4.52 135.00 131.88 2hnb n PRO 63 Ca 0.11 0.30 0.13 0.00 -2.02 0.00 0.00 63.50 62.02 2hnb n PRO 63 Cb 0.48 -2.00 0.70 0.00 -0.02 0.00 0.00 33.50 32.66 2hnb n PRO 63 CO 0.00 0.00 0.00 0.22 1.98 0.00 0.00 175.50 177.70 2hnb h ASP 64 N 0.41 0.00 -0.80 2.55 3.58 -1.96 0.27 116.42 120.46 2hnb h ASP 64 Ca -0.47 0.00 -0.02 0.00 0.42 0.00 0.00 57.03 56.95 2hnb h ASP 64 Cb 1.38 0.00 -0.04 0.00 1.72 0.00 0.00 39.33 42.39 2hnb h ASP 64 CO 0.50 0.00 0.41 -1.13 -2.88 0.00 0.00 179.24 176.13 2hnb h ASN 65 N 0.00 1.03 0.00 2.28 -1.24 -1.95 -3.38 115.58 112.32 2hnb h ASN 65 Ca 0.00 -0.11 0.00 0.00 0.71 0.00 0.00 56.30 56.90 2hnb h ASN 65 Cb 0.23 -0.26 0.00 0.00 0.73 0.00 0.00 38.32 39.02 2hnb h ASN 65 CO 0.00 0.86 -0.69 -0.11 -1.29 0.00 0.00 177.43 176.20 2hnb n LEU 66 N -4.32 0.00 -0.05 0.34 7.94 -0.56 -4.25 117.00 116.10 2hnb n LEU 66 Ca 0.08 0.00 0.19 0.00 -1.11 0.00 0.00 56.01 55.18 2hnb n LEU 66 Cb 0.12 0.00 0.64 0.00 0.53 0.00 0.00 43.42 44.72 2hnb n LEU 66 CO 0.39 0.00 1.20 0.77 -1.11 0.00 0.00 177.39 178.64 2hnb h SER 67 N 0.00 0.10 -0.21 1.96 4.64 -1.17 0.16 113.55 119.04 2hnb h SER 67 Ca 0.00 0.01 0.06 0.00 -0.47 0.00 0.00 61.79 61.39 2hnb h SER 67 Cb 0.16 -0.01 -0.01 0.00 -0.31 0.00 0.00 62.40 62.22 2hnb h SER 67 CO 0.00 0.05 0.43 -0.65 -0.87 0.00 0.00 176.83 175.80 2hnb h PRO 68 N 0.11 0.00 -0.73 4.77 0.11 -1.85 -1.47 132.00 132.94 2hnb h PRO 68 Ca 0.29 0.00 0.10 0.00 0.11 0.00 0.00 66.00 66.50 2hnb h PRO 68 Cb 1.01 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.08 2hnb h PRO 68 CO -0.03 0.00 0.48 0.35 -0.21 0.00 0.00 178.00 178.59 2hnb h PHE 69 N 0.00 0.67 -0.71 0.65 3.57 -1.22 -0.43 116.94 119.47 2hnb h PHE 69 Ca 0.10 0.02 -0.06 0.00 3.53 0.00 0.00 57.97 61.56 2hnb h PHE 69 Cb 0.97 -0.22 -0.03 0.00 2.79 0.00 0.00 35.95 39.46 2hnb h PHE 69 CO 0.00 0.32 0.22 -0.92 -2.23 0.00 0.00 178.31 175.69 2hnb h TYR 70 N 0.63 1.14 -0.09 0.41 3.20 -1.47 -0.24 116.97 120.55 2hnb h TYR 70 Ca 0.34 -0.12 -0.07 0.00 3.14 0.00 0.00 58.73 62.02 2hnb h TYR 70 Cb 0.47 -0.33 0.00 0.00 1.54 0.00 0.00 36.73 38.42 2hnb h TYR 70 CO -0.00 0.91 -0.21 0.93 -1.64 0.00 0.00 178.16 178.15 2hnb h GLU 71 N 1.04 0.31 0.00 1.82 5.08 -1.44 -2.35 114.58 119.04 2hnb h GLU 71 Ca 0.23 -0.21 -0.05 0.00 -1.00 0.00 0.00 59.36 58.33 2hnb h GLU 71 Cb 0.31 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.58 2hnb h GLU 71 CO -0.01 0.81 -0.24 0.00 -1.00 0.00 0.00 179.01 178.58 2hnb h ALA 72 N 0.50 1.55 0.52 3.43 0.00 -1.03 0.10 119.26 124.33 2hnb h ALA 72 Ca -0.00 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.67 2hnb h ALA 72 Cb 0.81 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 18.57 2hnb h ALA 72 CO 0.05 0.30 -0.25 -0.07 0.00 0.00 0.00 179.25 179.27 2hnb h LEU 73 N 0.00 -0.59 -1.66 0.00 3.38 -1.02 -3.13 115.31 112.28 2hnb h LEU 73 Ca -0.00 0.02 -0.02 0.00 0.09 0.00 0.00 57.88 57.97 2hnb h LEU 73 Cb 0.43 0.15 -0.00 0.00 0.09 0.00 0.00 40.66 41.33 2hnb h LEU 73 CO 0.03 -0.37 -0.10 0.06 0.09 0.00 0.00 178.44 178.15 2hnb h GLN 74 N -0.82 0.00 -0.09 1.13 3.07 -1.07 0.19 115.11 117.52 2hnb h GLN 74 Ca -0.07 0.00 -0.14 0.00 0.09 0.00 0.00 58.65 58.53 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 0.12 0.10 -0.54 1.49 0.09 0.00 0.00 178.83 180.09 2hnb h GLU 75 N 0.00 0.27 0.00 0.06 4.81 -1.09 -3.39 114.58 115.24 2hnb h GLU 75 Ca -0.00 -0.16 -0.11 0.00 -0.13 0.00 0.00 59.36 58.96 2hnb h GLU 75 Cb 0.47 0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.85 2hnb h GLU 75 CO 0.01 0.74 -1.40 1.04 -0.73 0.00 0.00 179.01 178.67 2hnb n GLN 76 N -3.93 1.92 -3.48 1.92 6.02 -0.73 -5.06 117.38 114.05 2hnb n GLN 76 Ca -0.02 0.01 -0.15 0.00 -0.01 0.00 0.00 57.00 56.83 2hnb n GLN 76 Cb 0.57 -1.14 0.00 0.00 1.02 0.00 0.00 30.24 30.69 2hnb n GLN 76 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 2hnb n LYS 77 N -2.41 -0.67 -0.42 -1.09 5.02 0.60 -4.93 118.16 114.26 2hnb n LYS 77 Ca -0.11 -0.02 -0.29 0.00 -2.02 0.00 0.00 58.31 55.88 2hnb n LYS 77 Cb 0.67 -0.64 0.28 0.00 -0.02 0.00 0.00 35.03 35.31 2hnb n LYS 77 CO 0.00 0.00 0.00 -2.14 -0.52 0.00 0.00 177.40 174.74 2hnb s PRO 78 N -4.69 -1.95 -1.26 1.97 0.02 -1.26 -4.87 135.00 122.96 2hnb s PRO 78 Ca 0.11 0.56 -0.10 0.00 0.02 0.00 0.00 61.00 61.58 2hnb s PRO 78 Cb -0.06 -1.46 -0.07 0.00 0.02 0.00 0.00 34.50 32.94 2hnb s PRO 78 CO 0.38 -4.33 2.44 -3.47 -0.33 0.00 0.00 177.00 171.68 2hnb n ASP 79 N -5.31 6.01 0.00 2.53 2.03 -1.26 -4.70 116.55 115.84 2hnb n ASP 79 Ca 0.06 -2.53 0.02 0.00 0.52 0.00 0.00 54.79 52.86 2hnb n ASP 79 Cb 0.56 -1.36 0.11 0.00 -0.72 0.00 0.00 41.12 39.71 2hnb n ASP 79 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 2hnb n LEU 80 N 4.61 0.00 -0.02 -2.67 4.77 -0.94 -4.37 117.00 118.38 2hnb n LEU 80 Ca 0.60 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.58 2hnb n LEU 80 Cb 0.24 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.33 2hnb n LEU 80 CO 0.83 0.00 0.00 -1.20 -1.33 0.00 0.00 177.39 175.69 2hnb n SER 81 N -0.58 0.00 0.00 -1.43 7.64 -1.20 -0.88 113.62 117.17 2hnb n SER 81 Ca 0.03 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.91 2hnb n SER 81 Cb 0.01 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.21 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 -0.14 0.30 -1.99 -0.43 0.00 -1.24 -4.79 120.51 112.22 2hnb n ALA 82 Ca 0.00 -0.14 -0.41 0.00 0.00 0.00 0.00 53.44 52.89 2hnb n ALA 82 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.40 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 4.14 -0.00 0.00 1.01 -0.06 -3.32 120.40 122.16 2hnb s VAL 83 Ca 0.00 1.95 0.08 0.00 0.00 0.00 0.00 61.98 64.01 2hnb s VAL 83 Cb 0.00 -4.24 -0.02 0.00 0.00 0.00 0.00 36.38 32.11 2hnb s VAL 83 CO 0.00 0.38 -0.24 -0.13 0.00 0.00 0.00 175.10 175.11 2hnb s ARG 84 N -0.63 2.06 0.27 2.72 1.81 -0.10 -2.12 118.95 122.96 2hnb s ARG 84 Ca 0.45 -0.96 -0.08 0.00 -1.72 0.00 0.00 55.73 53.42 2hnb s ARG 84 Cb -0.26 -2.07 -0.01 0.00 -0.45 0.00 0.00 34.95 32.17 2hnb s ARG 84 CO 0.32 0.55 0.42 -0.59 -0.68 0.00 0.00 175.30 175.33 2hnb s PHE 85 N -0.69 0.69 0.18 -0.53 -0.12 -1.06 -0.93 117.98 115.52 2hnb s PHE 85 Ca 0.11 -1.00 0.03 0.00 -0.05 0.00 0.00 56.93 56.02 2hnb s PHE 85 Cb -0.10 -0.00 -0.05 0.00 -0.63 0.00 0.00 43.02 42.24 2hnb s PHE 85 CO 0.00 -0.98 -0.03 0.20 -0.05 0.00 0.00 175.22 174.36 2hnb s GLY 86 N -3.10 1.29 -0.07 1.99 0.00 -1.10 -0.33 107.32 105.99 2hnb s GLY 86 Ca 0.27 -1.62 -0.03 0.00 0.00 0.00 0.00 44.72 43.34 2hnb s GLY 86 CO 0.13 -1.59 0.17 0.00 0.00 0.00 0.00 173.10 171.80 2hnb s ALA 87 N -3.48 -0.33 -0.04 3.20 0.00 -1.26 -0.74 121.76 119.11 2hnb s ALA 87 Ca 0.23 0.74 0.01 0.00 0.00 0.00 0.00 51.96 52.95 2hnb s ALA 87 Cb 0.05 -0.49 0.02 0.00 0.00 0.00 0.00 23.12 22.70 2hnb s ALA 87 CO 0.04 -0.16 -0.05 0.42 0.00 0.00 0.00 175.76 176.01 2hnb s ILE 88 N 1.16 0.57 -0.03 0.00 1.01 -0.63 -2.08 121.20 121.19 2hnb s ILE 88 Ca -0.09 -0.16 0.06 0.00 0.00 0.00 0.00 60.65 60.46 2hnb s ILE 88 Cb -0.11 -0.58 -0.02 0.00 0.01 0.00 0.00 42.46 41.76 2hnb s ILE 88 CO -0.06 0.22 -0.22 -0.83 0.00 0.00 0.00 174.94 174.05 2hnb s GLY 89 N 0.77 1.35 -0.12 6.18 0.00 -0.60 -1.59 107.32 113.31 2hnb s GLY 89 Ca -0.11 -1.07 -0.01 0.00 0.00 0.00 0.00 44.72 43.53 2hnb s GLY 89 CO 0.00 -0.86 -0.04 -0.42 0.00 0.00 0.00 173.10 171.78 2hnb s ILE 90 N -0.61 0.83 -0.83 0.90 1.09 -0.26 -1.48 121.20 120.85 2hnb s ILE 90 Ca 0.10 -0.26 0.00 0.00 -1.10 0.00 0.00 60.65 59.38 2hnb s ILE 90 Cb -0.10 -0.95 0.00 0.00 -1.06 0.00 0.00 42.46 40.34 2hnb s ILE 90 CO -0.00 0.25 0.00 0.61 -0.10 0.00 0.00 174.94 175.70 2hnb n GLY 91 N 4.99 -0.58 3.99 6.18 0.00 -1.24 -2.26 105.19 116.27 2hnb n GLY 91 Ca -0.11 -0.62 -0.19 0.00 0.00 0.00 0.00 46.02 45.10 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 -4.00 5.46 -0.00 1.61 0.01 -0.36 -1.33 113.70 115.10 2hnb s SER 92 Ca 0.00 -0.24 0.00 0.00 1.31 0.00 0.00 55.95 57.03 2hnb s SER 92 Cb 0.00 -0.74 -0.01 0.00 0.21 0.00 0.00 66.02 65.48 2hnb s SER 92 CO 0.00 -0.95 0.01 0.54 0.41 0.00 0.00 173.24 173.24 2hnb n ARG 93 N -2.09 0.18 -0.10 12.44 1.74 -1.26 -0.48 116.66 127.09 2hnb n ARG 93 Ca 0.08 -0.00 0.05 0.00 -0.77 0.00 0.00 57.85 57.21 2hnb n ARG 93 Cb 0.59 -1.00 0.10 0.00 -1.02 0.00 0.00 32.46 31.14 2hnb n ARG 93 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 2hnb n GLU 94 N -1.50 1.89 -4.11 5.56 4.71 -1.26 -4.99 120.64 120.94 2hnb n GLU 94 Ca -0.00 -1.64 -0.10 0.00 -0.01 0.00 0.00 57.16 55.41 2hnb n GLU 94 Cb 0.01 -1.22 -0.09 0.00 -1.01 0.00 0.00 31.44 29.12 2hnb n GLU 94 CO 0.00 0.00 0.00 -0.47 0.09 0.00 0.00 177.13 176.75 2hnb s TYR 95 N -0.94 0.75 0.38 -0.32 5.04 -1.26 -5.08 117.35 115.92 2hnb s TYR 95 Ca 0.17 -1.13 0.05 0.00 -2.44 0.00 0.00 57.07 53.73 2hnb s TYR 95 Cb 0.10 -0.39 0.76 0.00 0.35 0.00 0.00 41.96 42.78 2hnb s TYR 95 CO 0.14 -0.55 2.02 0.22 -1.34 0.00 0.00 175.55 176.03 2hnb h ASP 96 N 2.81 0.60 -0.43 4.32 3.58 -1.95 -3.22 116.42 122.14 2hnb h ASP 96 Ca -0.34 -0.01 -0.56 0.00 0.42 0.00 0.00 57.03 56.53 2hnb h ASP 96 Cb 1.20 -0.14 -0.04 0.00 1.72 0.00 0.00 39.33 42.07 2hnb h ASP 96 CO 0.57 0.42 1.99 0.41 -2.88 0.00 0.00 179.24 179.76 2hnb n THR 97 N -4.46 2.78 -1.83 2.25 -1.04 -1.26 -4.70 114.28 106.03 2hnb n THR 97 Ca 0.06 -2.75 -0.41 0.00 -2.04 0.00 0.00 64.05 58.91 2hnb n THR 97 Cb 0.10 -2.32 -0.02 0.00 -1.82 0.00 0.00 70.33 66.27 2hnb n THR 97 CO 0.00 0.00 0.00 0.12 -0.64 0.00 0.00 175.07 174.55 2hnb s PHE 98 N 6.52 2.82 0.65 -1.42 5.36 -1.22 -1.22 117.98 129.47 2hnb s PHE 98 Ca 0.58 0.81 0.34 0.00 -0.96 0.00 0.00 56.93 57.70 2hnb s PHE 98 Cb 0.06 -4.02 1.85 0.00 -0.34 0.00 0.00 43.02 40.57 2hnb s PHE 98 CO 0.08 -3.42 2.08 0.00 -1.46 0.00 0.00 175.22 172.50 2hnb n GLY 100 N -1.24 -0.33 0.36 0.00 0.00 -1.26 -3.74 105.19 98.99 2hnb n GLY 100 Ca -0.01 -0.04 0.18 0.00 0.00 0.00 0.00 46.02 46.15 2hnb n GLY 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2hnb h ALA 101 N 2.27 1.72 -0.64 4.61 0.00 -1.76 -0.13 119.26 125.33 2hnb h ALA 101 Ca 0.00 -0.01 0.16 0.00 0.00 0.00 0.00 54.91 55.06 2hnb h ALA 101 Cb 0.00 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 2hnb h ALA 101 CO 0.00 -0.49 0.44 0.97 0.00 0.00 0.00 179.25 180.17 2hnb h ILE 102 N 0.00 0.74 -0.96 0.00 6.09 -1.88 -3.22 117.51 118.28 2hnb h ILE 102 Ca 0.09 -0.05 0.23 0.00 -1.37 0.00 0.00 64.86 63.76 2hnb h ILE 102 Cb 0.87 0.59 -0.07 0.00 0.47 0.00 0.00 36.82 38.67 2hnb h ILE 102 CO -0.00 0.03 0.63 -0.78 -3.07 0.00 0.00 178.15 174.96 2hnb h ASP 103 N 0.14 0.41 -0.18 2.19 3.58 -1.34 -0.05 116.42 121.17 2hnb h ASP 103 Ca 0.31 0.05 0.05 0.00 0.42 0.00 0.00 57.03 57.86 2hnb h ASP 103 Cb 1.02 -0.02 -0.05 0.00 1.72 0.00 0.00 39.33 42.00 2hnb h ASP 103 CO -0.04 0.14 -0.14 0.11 -2.88 0.00 0.00 179.24 176.43 2hnb h LYS 104 N 0.39 -0.14 0.05 0.28 1.57 -1.80 0.01 116.57 116.94 2hnb h LYS 104 Ca 0.51 0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 59.30 2hnb h LYS 104 Cb 1.31 0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.66 2hnb h LYS 104 CO -0.21 -0.09 -0.02 -0.07 -0.57 0.00 0.00 179.45 178.48 2hnb h LEU 105 N -0.14 -0.06 -0.83 2.94 3.38 -1.26 -2.83 115.31 116.51 2hnb h LEU 105 Ca 0.11 -0.39 -0.10 0.00 0.09 0.00 0.00 57.88 57.58 2hnb h LEU 105 Cb 0.31 0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 2hnb h LEU 105 CO -0.27 0.37 -0.25 1.05 0.09 0.00 0.00 178.44 179.44 2hnb h GLU 106 N -0.50 0.59 -0.37 1.13 4.11 -1.46 -2.60 114.58 115.48 2hnb h GLU 106 Ca -0.01 -0.23 -0.12 0.00 0.07 0.00 0.00 59.36 59.07 2hnb h GLU 106 Cb 0.45 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.66 2hnb h GLU 106 CO 0.01 0.79 -0.24 0.00 0.07 0.00 0.00 179.01 179.65 2hnb h ALA 107 N 1.21 0.53 0.00 1.06 0.00 -1.00 -1.80 119.26 119.26 2hnb h ALA 107 Ca 0.07 -0.39 -0.06 0.00 0.00 0.00 0.00 54.91 54.54 2hnb h ALA 107 Cb 0.70 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 2hnb h ALA 107 CO 0.05 0.52 -0.28 0.93 0.00 0.00 0.00 179.25 180.47 2hnb h GLU 108 N 0.62 0.00 0.17 0.00 4.39 -1.37 0.11 114.58 118.50 2hnb h GLU 108 Ca 0.08 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.77 2hnb h GLU 108 Cb 0.80 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.45 2hnb h GLU 108 CO 0.07 0.28 -0.08 -0.07 -1.16 0.00 0.00 179.01 178.05 2hnb h LEU 109 N 0.00 -0.20 -0.91 1.33 3.38 -1.16 -2.66 115.31 115.10 2hnb h LEU 109 Ca -0.00 -0.22 -0.10 0.00 0.09 0.00 0.00 57.88 57.65 2hnb h LEU 109 Cb 0.79 0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.57 2hnb h LEU 109 CO 0.04 0.12 -0.33 0.07 0.09 0.00 0.00 178.44 178.42 2hnb h LYS 110 N -0.52 0.39 0.00 1.13 2.10 -1.06 -0.27 116.57 118.33 2hnb h LYS 110 Ca -0.02 -0.17 0.00 0.00 -2.00 0.00 0.00 60.65 58.46 2hnb h LYS 110 Cb 0.40 -0.01 0.00 0.00 -0.90 0.00 0.00 32.23 31.72 2hnb h LYS 110 CO 0.04 0.68 0.00 -1.71 -2.00 0.00 0.00 179.45 176.46 2hnb n ASN 111 N -4.07 0.00 -0.04 7.07 5.15 0.37 -1.83 115.26 121.89 2hnb n ASN 111 Ca -0.01 -1.33 0.05 0.00 -0.60 0.00 0.00 54.58 52.69 2hnb n ASN 111 Cb 0.45 0.00 0.07 0.00 -0.53 0.00 0.00 39.78 39.77 2hnb n ASN 111 CO 0.00 0.00 0.00 -1.20 1.40 0.00 0.00 177.26 177.46 2hnb n SER 112 N -0.67 2.13 0.00 1.20 7.64 -0.15 -4.99 113.62 118.77 2hnb n SER 112 Ca 0.07 -2.56 0.00 0.00 1.01 0.00 0.00 58.87 57.39 2hnb n SER 112 Cb 0.03 -0.23 0.00 0.00 -1.01 0.00 0.00 64.21 63.00 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 -0.98 2.71 3.47 0.23 0.00 -0.76 -2.20 105.19 107.65 2hnb n GLY 113 Ca 0.08 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.86 -2.85 -3.11 4.61 0.00 -0.98 -4.07 120.51 113.25 2hnb n ALA 114 Ca 0.00 -1.12 -0.16 0.00 0.00 0.00 0.00 53.44 52.16 2hnb n ALA 114 Cb 0.00 -1.96 -0.15 0.00 0.00 0.00 0.00 19.45 17.34 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 -4.29 0.33 1.05 0.00 1.02 -0.90 -4.23 119.74 112.72 2hnb s LYS 115 Ca 0.67 -0.07 -0.11 0.00 0.02 0.00 0.00 55.97 56.47 2hnb s LYS 115 Cb -0.24 -0.38 0.22 0.00 -0.52 0.00 0.00 37.83 36.92 2hnb s LYS 115 CO 0.65 0.01 1.09 -1.14 -0.92 0.00 0.00 175.35 175.03 2hnb s GLN 116 N 0.29 -0.03 0.08 1.68 0.74 -1.26 -2.57 119.66 118.59 2hnb s GLN 116 Ca -0.03 1.22 0.01 0.00 0.05 0.00 0.00 55.36 56.62 2hnb s GLN 116 Cb -0.06 -1.63 -0.04 0.00 1.10 0.00 0.00 33.01 32.39 2hnb s GLN 116 CO -0.01 -3.24 -0.06 0.99 -0.55 0.00 0.00 175.29 172.42 2hnb s THR 117 N -2.53 0.59 0.00 -0.34 2.01 0.55 -4.73 115.64 111.19 2hnb s THR 117 Ca 0.68 -1.73 0.00 0.00 0.31 0.00 0.00 61.69 60.95 2hnb s THR 117 Cb -0.24 -1.42 0.00 0.00 0.01 0.00 0.00 72.50 70.85 2hnb s THR 117 CO 0.62 -0.79 0.00 0.61 -0.69 0.00 0.00 174.62 174.37 2hnb n GLY 118 N 0.31 3.46 3.27 4.40 0.00 -1.26 -4.66 105.19 110.70 2hnb n GLY 118 Ca -0.15 -0.04 -0.10 0.00 0.00 0.00 0.00 46.02 45.74 2hnb n GLY 118 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2hnb s GLU 119 N 0.00 1.10 0.73 1.61 -1.05 -1.26 -5.08 118.70 114.75 2hnb s GLU 119 Ca 0.00 -1.30 -0.15 0.00 -0.15 0.00 0.00 54.97 53.37 2hnb s GLU 119 Cb 0.00 0.33 0.04 0.00 -0.44 0.00 0.00 34.13 34.06 2hnb s GLU 119 CO 0.00 -0.37 1.20 0.99 0.95 0.00 0.00 175.26 178.03 2hnb s THR 120 N -4.01 2.35 0.02 1.83 2.01 -1.26 -4.76 115.64 111.82 2hnb s THR 120 Ca 0.21 0.17 0.05 0.00 0.31 0.00 0.00 61.69 62.43 2hnb s THR 120 Cb 0.05 -2.72 -0.02 0.00 0.01 0.00 0.00 72.50 69.82 2hnb s THR 120 CO 0.02 -0.09 -0.14 -0.22 -0.69 0.00 0.00 174.62 173.49 2hnb s LEU 121 N -5.20 2.12 0.02 4.42 2.96 -0.88 -5.05 118.68 117.07 2hnb s LEU 121 Ca 0.74 -0.38 0.08 0.00 -0.22 0.00 0.00 54.13 54.34 2hnb s LEU 121 Cb -0.28 -0.65 -0.03 0.00 0.50 0.00 0.00 46.19 45.73 2hnb s LEU 121 CO 0.46 0.09 -0.22 -0.54 -1.32 0.00 0.00 176.35 174.81 2hnb s LYS 122 N -0.83 2.03 -0.31 1.98 -0.14 -1.26 -1.56 119.74 119.66 2hnb s LYS 122 Ca 0.03 -0.98 -0.01 0.00 -1.36 0.00 0.00 55.97 53.65 2hnb s LYS 122 Cb -0.07 -2.10 0.10 0.00 -1.68 0.00 0.00 37.83 34.08 2hnb s LYS 122 CO 0.01 0.54 0.10 0.42 -0.76 0.00 0.00 175.35 175.66 2hnb s ILE 123 N -0.79 0.83 0.36 2.17 1.01 -0.55 -4.95 121.20 119.28 2hnb s ILE 123 Ca 0.12 -1.35 -0.27 0.00 0.00 0.00 0.00 60.65 59.15 2hnb s ILE 123 Cb -0.10 -1.62 -0.09 0.00 0.01 0.00 0.00 42.46 40.65 2hnb s ILE 123 CO 0.02 -0.66 1.21 0.21 0.00 0.00 0.00 174.94 175.72 2hnb s ASN 124 N 1.64 6.70 -0.03 3.58 2.47 -1.26 -3.68 114.94 124.36 2hnb s ASN 124 Ca 0.09 2.47 0.15 0.00 0.42 0.00 0.00 52.86 55.99 2hnb s ASN 124 Cb -0.17 -2.63 -0.23 0.00 -1.45 0.00 0.00 41.25 36.76 2hnb s ASN 124 CO -0.25 -0.56 0.31 2.30 -3.72 0.00 0.00 177.10 175.18 2hnb n ILE 125 N 0.49 0.10 -0.04 -5.21 -5.35 -0.44 -3.43 119.36 105.48 2hnb n ILE 125 Ca 0.02 -0.38 -0.05 0.00 -0.27 0.00 0.00 62.75 62.07 2hnb n ILE 125 Cb 0.44 0.07 0.16 0.00 -1.74 0.00 0.00 39.64 38.57 2hnb n ILE 125 CO 0.00 0.00 0.00 0.25 -1.76 0.00 0.00 176.55 175.04 2hnb h LEU 126 N 0.00 0.63 -7.69 7.28 7.12 -1.94 -3.42 115.31 117.29 2hnb h LEU 126 Ca -0.04 -0.20 -0.12 0.00 0.13 0.00 0.00 57.88 57.64 2hnb h LEU 126 Cb 0.83 -0.17 -0.19 0.00 -0.53 0.00 0.00 40.66 40.60 2hnb h LEU 126 CO 0.00 0.83 -0.40 -0.62 -0.13 0.00 0.00 178.44 178.12 2hnb s ASP 127 N -6.76 -0.02 0.00 1.25 2.15 -1.26 -4.96 116.67 107.06 2hnb s ASP 127 Ca -0.08 -0.20 0.00 0.00 0.43 0.00 0.00 52.55 52.70 2hnb s ASP 127 Cb 0.14 0.26 0.00 0.00 -0.30 0.00 0.00 42.92 43.02 2hnb s ASP 127 CO 0.81 -0.46 0.00 1.57 -0.17 0.00 0.00 175.17 176.91 2hnb n HIS 128 N 1.10 0.00 0.00 -5.34 -0.00 -1.26 -4.75 115.22 104.97 2hnb n HIS 128 Ca -0.21 0.00 0.00 0.00 0.46 0.00 0.00 57.72 57.97 2hnb n HIS 128 Cb 0.57 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.44 2hnb n HIS 128 CO 0.00 0.00 0.00 -3.47 0.46 0.00 0.00 176.34 173.33 2hnb n ASP 129 N 0.40 0.00 -3.38 0.26 2.03 -1.22 -4.84 116.55 109.79 2hnb n ASP 129 Ca 0.00 0.00 -0.10 0.00 0.52 0.00 0.00 54.79 55.21 2hnb n ASP 129 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 2hnb n ASP 129 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2hnb n ILE 130 N 0.00 -0.74 1.41 5.18 3.06 -1.26 -4.62 119.36 122.39 2hnb n ILE 130 Ca 0.00 -0.09 0.00 0.00 -2.50 0.00 0.00 62.75 60.16 2hnb n ILE 130 Cb 0.00 -0.64 0.00 0.00 0.54 0.00 0.00 39.64 39.54 2hnb n ILE 130 CO 0.00 0.00 0.00 -0.81 -2.50 0.00 0.00 176.55 173.24 2hnb n PRO 131 N -1.58 0.97 0.11 9.51 -0.04 -1.26 -4.27 135.00 138.44 2hnb n PRO 131 Ca -0.05 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.41 2hnb n PRO 131 Cb 0.16 -1.27 0.00 0.00 -0.04 0.00 0.00 33.50 32.35 2hnb n PRO 131 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2hnb n GLU 132 N -0.22 0.00 -0.02 0.54 1.02 -1.26 -4.08 120.64 116.62 2hnb n GLU 132 Ca 0.00 0.00 -0.11 0.00 -0.02 0.00 0.00 57.16 57.03 2hnb n GLU 132 Cb 0.13 -0.09 -0.05 0.00 -0.02 0.00 0.00 31.44 31.42 2hnb n GLU 132 CO 0.00 0.00 0.00 0.22 1.18 0.00 0.00 177.13 178.53 2hnb h ASP 133 N 0.00 0.16 -0.93 1.62 3.58 -2.00 0.19 116.42 119.04 2hnb h ASP 133 Ca 0.00 -0.04 0.03 0.00 0.42 0.00 0.00 57.03 57.44 2hnb h ASP 133 Cb 0.03 -0.04 -0.05 0.00 1.72 0.00 0.00 39.33 40.99 2hnb h ASP 133 CO 0.00 0.15 0.61 -0.65 -2.88 0.00 0.00 179.24 176.47 2hnb h PRO 134 N 0.16 1.16 -0.62 0.28 0.11 -1.94 -1.87 132.00 129.28 2hnb h PRO 134 Ca 0.05 -0.07 -0.09 0.00 0.11 0.00 0.00 66.00 66.00 2hnb h PRO 134 Cb 0.02 -0.26 -0.02 0.00 0.11 0.00 0.00 31.00 30.84 2hnb h PRO 134 CO -0.01 0.76 0.02 0.00 -0.21 0.00 0.00 178.00 178.57 2hnb h ALA 135 N 1.45 0.87 -0.40 -0.75 0.00 -1.68 -1.25 119.26 117.50 2hnb h ALA 135 Ca 0.36 -0.30 -0.05 0.00 0.00 0.00 0.00 54.91 54.92 2hnb h ALA 135 Cb -0.02 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 2hnb h ALA 135 CO -0.10 0.67 0.06 1.49 0.00 0.00 0.00 179.25 181.37 2hnb h GLU 136 N 0.98 0.66 -0.20 0.00 4.81 -0.61 0.25 114.58 120.47 2hnb h GLU 136 Ca 0.18 -0.18 -0.01 0.00 -0.13 0.00 0.00 59.36 59.22 2hnb h GLU 136 Cb 0.53 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.83 2hnb h GLU 136 CO 0.03 0.71 0.09 0.93 -0.73 0.00 0.00 179.01 180.04 2hnb h GLU 137 N 0.51 0.30 -0.17 1.92 4.39 -1.16 -1.71 114.58 118.66 2hnb h GLU 137 Ca 0.12 -0.05 -0.11 0.00 0.34 0.00 0.00 59.36 59.66 2hnb h GLU 137 Cb 0.37 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 28.96 2hnb h GLU 137 CO 0.01 0.34 -0.37 -1.49 -1.16 0.00 0.00 179.01 176.34 2hnb h TRP 138 N 0.19 0.43 -0.92 4.33 6.55 -1.21 -2.59 115.95 122.73 2hnb h TRP 138 Ca 0.07 -0.11 0.03 0.00 0.95 0.00 0.00 58.89 59.83 2hnb h TRP 138 Cb 0.15 -0.10 -0.05 0.00 -0.86 0.00 0.00 29.16 28.30 2hnb h TRP 138 CO -0.02 0.70 0.60 1.25 -1.05 0.00 0.00 178.44 179.92 2hnb h LEU 139 N 0.32 0.99 -0.40 -4.49 6.46 -0.66 0.10 115.31 117.63 2hnb h LEU 139 Ca 0.03 -0.01 0.07 0.00 -0.12 0.00 0.00 57.88 57.85 2hnb h LEU 139 Cb 0.80 -0.23 -0.06 0.00 -0.73 0.00 0.00 40.66 40.45 2hnb h LEU 139 CO 0.06 0.68 0.06 1.23 -0.62 0.00 0.00 178.44 179.85 2hnb h GLY 140 N 1.16 0.45 1.03 3.75 0.00 -0.93 -0.09 103.07 108.44 2hnb h GLY 140 Ca 0.36 -0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.64 2hnb h GLY 140 CO -0.12 -0.06 0.21 1.76 0.00 0.00 0.00 176.54 178.34 2hnb h SER 141 N 0.18 0.97 0.22 0.19 0.02 -1.14 -1.22 113.55 112.77 2hnb h SER 141 Ca 0.19 -0.21 -0.01 0.00 -0.84 0.00 0.00 61.79 60.93 2hnb h SER 141 Cb 0.25 -0.25 0.00 0.00 0.14 0.00 0.00 62.40 62.54 2hnb h SER 141 CO -0.28 0.92 -0.11 -0.50 -1.14 0.00 0.00 176.83 175.72 2hnb h TRP 142 N 0.97 -0.28 -0.29 3.45 6.55 -0.26 -2.28 115.95 123.81 2hnb h TRP 142 Ca 0.22 -0.01 -0.06 0.00 0.95 0.00 0.00 58.89 59.99 2hnb h TRP 142 Cb 0.29 0.09 -0.02 0.00 -0.86 0.00 0.00 29.16 28.67 2hnb h TRP 142 CO 0.02 -0.08 -0.08 -0.39 -1.05 0.00 0.00 178.44 176.87 2hnb h VAL 143 N -0.43 1.21 -0.32 1.49 -1.51 -0.97 0.46 116.25 116.18 2hnb h VAL 143 Ca -0.03 -0.88 0.02 0.00 -1.23 0.00 0.00 66.70 64.57 2hnb h VAL 143 Cb 0.33 1.08 -0.02 0.00 -2.13 0.00 0.00 31.29 30.55 2hnb h VAL 143 CO 0.05 0.29 0.21 -1.13 -1.23 0.00 0.00 177.57 175.76 2hnb h ASN 144 N 0.44 0.32 0.15 4.19 -0.73 -1.00 -1.29 115.58 117.65 2hnb h ASN 144 Ca 0.09 -0.01 -0.36 0.00 1.87 0.00 0.00 56.30 57.89 2hnb h ASN 144 Cb 0.41 -0.08 -0.05 0.00 0.27 0.00 0.00 38.32 38.87 2hnb h ASN 144 CO 0.02 0.22 -2.14 0.18 -0.37 0.00 0.00 177.43 175.34 2hnb n LEU 145 N -4.49 1.83 0.07 0.34 4.77 -0.75 -4.53 117.00 114.24 2hnb n LEU 145 Ca 0.02 0.12 0.12 0.00 -0.03 0.00 0.00 56.01 56.24 2hnb n LEU 145 Cb 0.11 -0.47 0.05 0.00 -2.33 0.00 0.00 43.42 40.78 2hnb n LEU 145 CO 0.35 0.71 0.07 0.00 -1.33 0.00 0.00 177.39 177.18 2hnb n LEU 146 N -3.18 0.71 0.00 2.23 -0.00 0.08 -5.08 117.00 111.76 2hnb n LEU 146 Ca -0.33 0.20 0.00 0.00 -0.00 0.00 0.00 56.01 55.89 2hnb n LEU 146 Cb 1.06 -0.10 0.00 0.00 -0.00 0.00 0.00 43.42 44.37 2hnb n LEU 146 CO 0.39 -0.09 0.12 2.29 -0.00 0.00 0.00 177.39 180.10