#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1kpb n GLY 15 N 0.00 2.23 1.22 -0.02 0.00 -1.26 -4.08 105.19 103.28 1kpb n GLY 15 Ca 0.00 -2.16 0.10 0.00 0.00 0.00 0.00 46.02 43.95 1kpb n GLY 15 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1kpb n ASP 16 N 0.00 3.55 -3.69 1.61 5.75 -1.26 -4.52 116.55 117.99 1kpb n ASP 16 Ca 0.00 -2.09 -0.16 0.00 -0.01 0.00 0.00 54.79 52.53 1kpb n ASP 16 Cb 0.00 -0.45 -0.00 0.00 -1.03 0.00 0.00 41.12 39.64 1kpb n ASP 16 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 1kpb n THR 17 N 1.24 0.00 -0.29 2.12 -2.24 -1.26 -4.96 114.28 108.88 1kpb n THR 17 Ca 0.21 -1.30 -0.04 0.00 -2.27 0.00 0.00 64.05 60.64 1kpb n THR 17 Cb 0.59 -0.21 0.07 0.00 -2.10 0.00 0.00 70.33 68.68 1kpb n THR 17 CO 0.00 0.00 0.00 0.40 -0.57 0.00 0.00 175.07 174.90 1kpb h ILE 18 N 0.61 1.22 0.00 2.28 5.03 -1.98 0.10 117.51 124.78 1kpb h ILE 18 Ca -0.21 -0.48 -0.01 0.00 -0.12 0.00 0.00 64.86 64.05 1kpb h ILE 18 Cb 0.76 0.09 -0.00 0.00 -3.03 0.00 0.00 36.82 34.64 1kpb h ILE 18 CO 0.33 0.23 -0.04 -0.26 -0.68 0.00 0.00 178.15 177.72 1kpb h PHE 19 N 1.10 0.00 -0.22 1.37 0.04 -1.95 -0.21 116.94 117.07 1kpb h PHE 19 Ca 0.29 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 61.05 1kpb h PHE 19 Cb -0.05 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.09 1kpb h PHE 19 CO -0.01 0.04 0.08 0.78 -0.60 0.00 0.00 178.31 178.61 1kpb h GLY 20 N 0.14 0.36 1.69 -1.45 0.00 -0.96 -0.25 103.07 102.59 1kpb h GLY 20 Ca -0.00 -0.20 -0.02 0.00 0.00 0.00 0.00 47.33 47.11 1kpb h GLY 20 CO 0.01 0.19 0.07 0.50 0.00 0.00 0.00 176.54 177.30 1kpb h LYS 21 N 0.20 0.40 -0.02 4.80 1.57 -0.56 -0.45 116.57 122.51 1kpb h LYS 21 Ca 0.07 -0.05 -0.25 0.00 -1.87 0.00 0.00 60.65 58.55 1kpb h LYS 21 Cb 0.19 -0.07 0.02 0.00 0.08 0.00 0.00 32.23 32.44 1kpb h LYS 21 CO -0.01 0.37 -0.98 0.82 -0.57 0.00 0.00 179.45 179.09 1kpb h ILE 22 N 0.40 1.29 -0.64 1.86 2.04 -1.03 0.26 117.51 121.69 1kpb h ILE 22 Ca 0.10 -2.20 -0.04 0.00 1.00 0.00 0.00 64.86 63.72 1kpb h ILE 22 Cb 0.15 2.36 -0.03 0.00 -0.74 0.00 0.00 36.82 38.56 1kpb h ILE 22 CO -0.00 0.68 0.25 0.40 0.00 0.00 0.00 178.15 179.48 1kpb h ILE 23 N 0.37 1.24 0.00 -0.67 2.04 -0.62 -1.40 117.51 118.47 1kpb h ILE 23 Ca -0.12 -0.74 0.00 0.00 1.00 0.00 0.00 64.86 65.01 1kpb h ILE 23 Cb 1.63 0.53 0.00 0.00 -0.74 0.00 0.00 36.82 38.24 1kpb h ILE 23 CO 0.19 0.29 0.00 0.54 0.00 0.00 0.00 178.15 179.17 1kpb n ARG 24 N -4.43 0.98 -2.24 2.37 1.74 -0.22 -4.84 116.66 110.02 1kpb n ARG 24 Ca 0.04 0.00 -0.16 0.00 -0.77 0.00 0.00 57.85 56.96 1kpb n ARG 24 Cb 0.17 -1.13 -0.02 0.00 -1.02 0.00 0.00 32.46 30.46 1kpb n ARG 24 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1kpb n LYS 25 N -0.63 -1.88 0.09 5.56 5.02 -0.53 -4.83 118.16 120.96 1kpb n LYS 25 Ca 0.06 0.80 -0.04 0.00 -2.02 0.00 0.00 58.31 57.12 1kpb n LYS 25 Cb 0.03 -5.37 -0.04 0.00 -0.02 0.00 0.00 35.03 29.63 1kpb n LYS 25 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 1kpb h GLU 26 N 0.00 0.00 -5.06 1.97 5.08 -0.74 -3.44 114.58 112.39 1kpb h GLU 26 Ca -0.37 0.00 -0.50 0.00 -1.00 0.00 0.00 59.36 57.50 1kpb h GLU 26 Cb 1.23 0.00 -0.31 0.00 0.50 0.00 0.00 28.75 30.18 1kpb h GLU 26 CO 0.45 0.82 -0.81 0.96 -1.00 0.00 0.00 179.01 179.42 1kpb s ILE 27 N -2.89 1.13 0.78 3.13 -4.36 -0.88 -5.02 121.20 113.08 1kpb s ILE 27 Ca 0.02 -0.57 -0.11 0.00 -0.26 0.00 0.00 60.65 59.73 1kpb s ILE 27 Cb 0.10 -0.97 0.06 0.00 1.25 0.00 0.00 42.46 42.90 1kpb s ILE 27 CO 0.79 0.33 1.10 -2.84 0.24 0.00 0.00 174.94 174.56 1kpb s PRO 28 N -0.01 2.20 -0.15 0.37 0.02 -1.26 -4.39 135.00 131.78 1kpb s PRO 28 Ca -0.01 1.21 -0.29 0.00 0.02 0.00 0.00 61.00 61.93 1kpb s PRO 28 Cb -0.09 -1.89 0.10 0.00 0.02 0.00 0.00 34.50 32.64 1kpb s PRO 28 CO 0.01 -1.69 0.84 0.00 -0.33 0.00 0.00 177.00 175.83 1kpb s ALA 29 N -2.84 -1.86 -0.88 -1.55 0.00 -1.26 -5.02 121.76 108.36 1kpb s ALA 29 Ca 0.62 1.60 -0.25 0.00 0.00 0.00 0.00 51.96 53.93 1kpb s ALA 29 Cb -0.18 -0.63 0.01 0.00 0.00 0.00 0.00 23.12 22.32 1kpb s ALA 29 CO 0.55 -0.32 1.62 0.15 0.00 0.00 0.00 175.76 177.76 1kpb s LYS 30 N -0.71 3.08 0.20 0.00 1.02 -1.26 -4.96 119.74 117.12 1kpb s LYS 30 Ca -0.04 -0.47 -0.30 0.00 0.02 0.00 0.00 55.97 55.18 1kpb s LYS 30 Cb -0.02 -4.92 -0.08 0.00 -0.52 0.00 0.00 37.83 32.29 1kpb s LYS 30 CO 0.03 -2.61 1.18 0.42 -0.92 0.00 0.00 175.35 173.46 1kpb s ILE 31 N 7.16 3.56 -0.17 2.17 -1.09 -1.26 -2.26 121.20 129.30 1kpb s ILE 31 Ca 0.54 1.35 0.11 0.00 -2.23 0.00 0.00 60.65 60.41 1kpb s ILE 31 Cb -0.05 -3.86 -0.18 0.00 -1.58 0.00 0.00 42.46 36.79 1kpb s ILE 31 CO 0.02 0.23 -0.01 -0.38 -1.23 0.00 0.00 174.94 173.57 1kpb n ILE 32 N 2.27 1.13 -3.54 2.92 5.41 0.90 -4.98 119.36 123.48 1kpb n ILE 32 Ca 0.03 -0.62 -0.15 0.00 1.00 0.00 0.00 62.75 63.01 1kpb n ILE 32 Cb 0.45 -0.76 -0.06 0.00 -0.71 0.00 0.00 39.64 38.56 1kpb n ILE 32 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 176.55 176.67 1kpb s PHE 33 N -2.40 -0.56 -0.12 1.39 2.19 -1.11 -5.01 117.98 112.36 1kpb s PHE 33 Ca -0.14 0.95 -0.22 0.00 0.33 0.00 0.00 56.93 57.86 1kpb s PHE 33 Cb 0.05 0.42 0.05 0.00 -1.31 0.00 0.00 43.02 42.24 1kpb s PHE 33 CO 0.61 -0.52 0.54 -2.00 1.83 0.00 0.00 175.22 175.68 1kpb s GLU 34 N -1.18 0.78 0.12 10.12 2.12 -1.26 -1.27 118.70 128.12 1kpb s GLU 34 Ca -0.08 0.42 -0.00 0.00 0.36 0.00 0.00 54.97 55.67 1kpb s GLU 34 Cb -0.00 0.37 0.00 0.00 0.26 0.00 0.00 34.13 34.76 1kpb s GLU 34 CO 0.07 -0.17 0.16 -0.40 -0.54 0.00 0.00 175.26 174.37 1kpb n ASP 35 N 1.91 -0.43 0.21 -1.70 5.68 -0.97 -5.02 116.55 116.23 1kpb n ASP 35 Ca -0.17 -1.63 0.15 0.00 -0.50 0.00 0.00 54.79 52.64 1kpb n ASP 35 Cb 0.56 0.81 0.67 0.00 -1.14 0.00 0.00 41.12 42.03 1kpb n ASP 35 CO 0.00 0.00 0.00 -2.24 -1.33 0.00 0.00 177.20 173.63 1kpb h ASP 36 N 0.65 0.00 0.00 -1.12 2.03 -2.04 -3.25 116.42 112.70 1kpb h ASP 36 Ca -0.09 0.00 -0.05 0.00 -0.73 0.00 0.00 57.03 56.16 1kpb h ASP 36 Cb 0.39 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 38.88 1kpb h ASP 36 CO 0.12 0.00 -1.68 0.54 -1.03 0.00 0.00 179.24 177.19 1kpb n ARG 37 N -2.64 0.75 -3.96 4.15 1.74 -1.26 -4.85 116.66 110.59 1kpb n ARG 37 Ca 0.00 -0.10 -0.10 0.00 -0.77 0.00 0.00 57.85 56.89 1kpb n ARG 37 Cb 0.20 -1.33 -0.03 0.00 -1.02 0.00 0.00 32.46 30.29 1kpb n ARG 37 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1kpb s LEU 39 N -3.06 1.68 -0.12 0.00 2.96 -0.01 -2.28 118.68 117.85 1kpb s LEU 39 Ca 0.21 -0.04 0.01 0.00 -0.22 0.00 0.00 54.13 54.09 1kpb s LEU 39 Cb -0.02 -0.16 0.02 0.00 0.50 0.00 0.00 46.19 46.52 1kpb s LEU 39 CO 0.12 -0.02 -0.14 0.00 -1.32 0.00 0.00 176.35 174.98 1kpb s ALA 40 N 0.35 1.72 0.08 5.97 0.00 -0.40 -0.41 121.76 129.07 1kpb s ALA 40 Ca -0.03 -0.77 -0.06 0.00 0.00 0.00 0.00 51.96 51.10 1kpb s ALA 40 Cb -0.06 -0.91 -0.02 0.00 0.00 0.00 0.00 23.12 22.14 1kpb s ALA 40 CO -0.01 -0.20 0.12 -0.59 0.00 0.00 0.00 175.76 175.09 1kpb s PHE 41 N 1.19 0.29 0.22 0.00 -0.71 0.04 -0.07 117.98 118.96 1kpb s PHE 41 Ca -0.02 -0.76 -0.30 0.00 -1.04 0.00 0.00 56.93 54.81 1kpb s PHE 41 Cb -0.14 -0.17 -0.09 0.00 -1.21 0.00 0.00 43.02 41.41 1kpb s PHE 41 CO -0.05 -0.50 1.24 -1.01 -1.34 0.00 0.00 175.22 173.56 1kpb s HIS 42 N -3.89 3.34 -0.04 3.49 3.76 -0.96 0.06 115.29 121.06 1kpb s HIS 42 Ca 0.07 1.40 -0.30 0.00 -0.15 0.00 0.00 55.06 56.07 1kpb s HIS 42 Cb 0.06 -3.50 -0.03 0.00 1.11 0.00 0.00 32.58 30.22 1kpb s HIS 42 CO -0.10 -1.42 1.11 0.34 -0.85 0.00 0.00 174.74 173.82 1kpb s ASP 43 N -0.04 7.16 0.23 1.40 -1.08 0.16 -4.72 116.67 119.79 1kpb s ASP 43 Ca 0.52 1.75 0.23 0.00 -0.52 0.00 0.00 52.55 54.54 1kpb s ASP 43 Cb -0.35 -2.56 0.95 0.00 -1.46 0.00 0.00 42.92 39.50 1kpb s ASP 43 CO 0.40 -0.47 1.69 2.30 0.52 0.00 0.00 175.17 179.61 1kpb n ILE 44 N 4.34 0.83 -3.40 4.11 -5.35 -1.26 -3.58 119.36 115.06 1kpb n ILE 44 Ca 0.09 0.22 -0.27 0.00 -0.27 0.00 0.00 62.75 62.52 1kpb n ILE 44 Cb 0.48 -1.13 -0.08 0.00 -1.74 0.00 0.00 39.64 37.16 1kpb n ILE 44 CO 0.00 0.00 0.00 -1.20 -1.76 0.00 0.00 176.55 173.59 1kpb n SER 45 N -2.17 3.31 -4.77 7.28 7.64 -1.26 -5.11 113.62 118.53 1kpb n SER 45 Ca 0.02 -3.35 -0.39 0.00 1.01 0.00 0.00 58.87 56.16 1kpb n SER 45 Cb 0.23 -0.67 0.00 0.00 -1.01 0.00 0.00 64.21 62.77 1kpb n SER 45 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 1kpb s PRO 46 N -2.31 3.84 -0.11 1.43 0.04 -1.23 -4.93 135.00 131.73 1kpb s PRO 46 Ca 0.39 2.22 0.15 0.00 0.04 0.00 0.00 61.00 63.80 1kpb s PRO 46 Cb 0.15 -2.69 0.52 0.00 0.04 0.00 0.00 34.50 32.52 1kpb s PRO 46 CO -0.03 -0.62 1.44 1.04 0.04 0.00 0.00 177.00 178.87 1kpb n GLN 47 N -0.04 3.21 -3.52 4.56 1.13 -1.26 -4.96 117.38 116.50 1kpb n GLN 47 Ca 0.05 -2.63 -0.08 0.00 -1.94 0.00 0.00 57.00 52.40 1kpb n GLN 47 Cb 0.43 -1.70 -0.02 0.00 0.11 0.00 0.00 30.24 29.06 1kpb n GLN 47 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1kpb s ALA 48 N -2.03 -1.86 0.26 -1.58 0.00 -1.26 -5.03 121.76 110.27 1kpb s ALA 48 Ca 0.39 1.11 -0.01 0.00 0.00 0.00 0.00 51.96 53.45 1kpb s ALA 48 Cb 0.27 0.32 0.58 0.00 0.00 0.00 0.00 23.12 24.29 1kpb s ALA 48 CO 0.15 -0.67 1.68 -1.35 0.00 0.00 0.00 175.76 175.58 1kpb h PRO 49 N 2.01 0.30 -5.20 0.00 0.11 -1.85 -3.34 132.00 124.04 1kpb h PRO 49 Ca -0.20 -0.02 -0.66 0.00 0.11 0.00 0.00 66.00 65.23 1kpb h PRO 49 Cb 1.23 -0.07 -0.29 0.00 0.11 0.00 0.00 31.00 31.98 1kpb h PRO 49 CO 0.30 0.20 -0.78 0.99 -0.21 0.00 0.00 178.00 178.50 1kpb s THR 50 N -5.98 2.89 -0.28 -1.15 2.01 -0.87 -5.03 115.64 107.23 1kpb s THR 50 Ca -0.12 -0.69 0.01 0.00 0.31 0.00 0.00 61.69 61.20 1kpb s THR 50 Cb 0.23 -2.24 0.16 0.00 0.01 0.00 0.00 72.50 70.67 1kpb s THR 50 CO 0.77 0.50 0.45 -2.28 -0.69 0.00 0.00 174.62 173.37 1kpb s HIS 51 N 0.77 -1.15 0.25 4.92 5.04 -1.26 -1.28 115.29 122.59 1kpb s HIS 51 Ca -0.05 0.71 0.04 0.00 -1.54 0.00 0.00 55.06 54.22 1kpb s HIS 51 Cb -0.15 0.03 -0.05 0.00 0.04 0.00 0.00 32.58 32.45 1kpb s HIS 51 CO 0.01 -0.92 -0.02 -0.59 -2.34 0.00 0.00 174.74 170.88 1kpb s PHE 52 N 2.62 1.69 0.06 3.88 -0.71 -0.72 -0.66 117.98 124.13 1kpb s PHE 52 Ca 0.12 -0.86 0.08 0.00 -1.04 0.00 0.00 56.93 55.23 1kpb s PHE 52 Cb -0.13 -0.98 -0.03 0.00 -1.21 0.00 0.00 43.02 40.66 1kpb s PHE 52 CO -0.25 0.05 -0.21 -0.51 -1.34 0.00 0.00 175.22 172.97 1kpb s LEU 53 N -3.35 2.50 -0.17 -1.99 1.43 0.11 -0.75 118.68 116.46 1kpb s LEU 53 Ca 0.29 -0.50 0.01 0.00 -1.03 0.00 0.00 54.13 52.90 1kpb s LEU 53 Cb 0.05 -1.45 0.02 0.00 0.03 0.00 0.00 46.19 44.85 1kpb s LEU 53 CO 0.10 0.24 -0.16 -0.69 0.23 0.00 0.00 176.35 176.07 1kpb s VAL 54 N -0.94 1.80 0.03 -1.59 1.01 -0.55 -0.78 120.40 119.39 1kpb s VAL 54 Ca 0.14 -0.84 0.07 0.00 0.00 0.00 0.00 61.98 61.36 1kpb s VAL 54 Cb -0.10 -1.69 -0.02 0.00 0.00 0.00 0.00 36.38 34.56 1kpb s VAL 54 CO 0.05 0.44 -0.21 0.27 0.00 0.00 0.00 175.10 175.66 1kpb s ILE 55 N 1.38 1.69 0.40 2.22 -4.36 0.45 -1.14 121.20 121.84 1kpb s ILE 55 Ca 0.04 -1.13 -0.24 0.00 -0.26 0.00 0.00 60.65 59.06 1kpb s ILE 55 Cb -0.13 -1.45 -0.09 0.00 1.25 0.00 0.00 42.46 42.03 1kpb s ILE 55 CO -0.11 0.28 1.01 -2.16 0.24 0.00 0.00 174.94 174.19 1kpb s PRO 56 N -1.01 4.23 0.34 0.37 0.04 -1.26 -0.83 135.00 136.88 1kpb s PRO 56 Ca 0.08 1.39 0.18 0.00 0.04 0.00 0.00 61.00 62.68 1kpb s PRO 56 Cb -0.09 -2.49 0.50 0.00 0.04 0.00 0.00 34.50 32.47 1kpb s PRO 56 CO 0.01 -0.06 1.65 0.87 0.04 0.00 0.00 177.00 179.51 1kpb h LYS 57 N 2.44 0.00 -6.41 4.56 1.57 -1.40 -3.43 116.57 113.90 1kpb h LYS 57 Ca -0.48 0.00 -0.54 0.00 -1.87 0.00 0.00 60.65 57.76 1kpb h LYS 57 Cb 1.20 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.51 1kpb h LYS 57 CO 0.62 0.42 0.75 0.21 -0.57 0.00 0.00 179.45 180.88 1kpb s LYS 58 N -3.42 4.33 -0.48 3.15 2.20 -1.26 -3.73 119.74 120.53 1kpb s LYS 58 Ca 0.01 1.90 -0.29 0.00 -0.36 0.00 0.00 55.97 57.24 1kpb s LYS 58 Cb 0.10 -3.48 0.02 0.00 -1.51 0.00 0.00 37.83 32.96 1kpb s LYS 58 CO 0.70 -0.48 1.35 -1.58 -0.36 0.00 0.00 175.35 174.98 1kpb s HIS 59 N 1.94 2.46 -0.23 4.03 5.65 -1.26 -4.93 115.29 122.95 1kpb s HIS 59 Ca 0.62 0.61 0.01 0.00 0.25 0.00 0.00 55.06 56.55 1kpb s HIS 59 Cb -0.31 -4.37 0.04 0.00 -1.18 0.00 0.00 32.58 26.75 1kpb s HIS 59 CO 0.27 -1.81 -0.13 0.42 -0.65 0.00 0.00 174.74 172.83 1kpb s ILE 60 N 5.39 2.30 0.24 0.89 1.01 -1.26 -5.01 121.20 124.76 1kpb s ILE 60 Ca 0.55 -1.22 -0.06 0.00 0.00 0.00 0.00 60.65 59.93 1kpb s ILE 60 Cb -0.11 -2.16 0.21 0.00 0.01 0.00 0.00 42.46 40.41 1kpb s ILE 60 CO 0.30 0.25 1.85 0.77 0.00 0.00 0.00 174.94 178.11 1kpb h SER 61 N 7.89 0.82 -4.88 3.58 4.64 -1.93 0.34 113.55 124.02 1kpb h SER 61 Ca -0.33 0.02 0.01 0.00 -0.47 0.00 0.00 61.79 61.01 1kpb h SER 61 Cb 1.10 -0.16 -0.14 0.00 -0.31 0.00 0.00 62.40 62.89 1kpb h SER 61 CO 0.56 0.53 0.28 0.00 -0.87 0.00 0.00 176.83 177.33 1kpb s GLN 62 N -6.07 1.11 0.51 4.77 -2.07 -1.26 -1.60 119.66 115.06 1kpb s GLN 62 Ca -0.13 -0.29 0.17 0.00 -1.82 0.00 0.00 55.36 53.29 1kpb s GLN 62 Cb 0.18 0.52 1.26 0.00 -1.09 0.00 0.00 33.01 33.88 1kpb s GLN 62 CO 0.79 -0.46 2.12 0.97 -1.32 0.00 0.00 175.29 177.39 1kpb h ILE 63 N 2.18 0.97 0.00 3.63 6.09 -1.89 -2.19 117.51 126.30 1kpb h ILE 63 Ca -0.30 -0.01 -0.00 0.00 -1.37 0.00 0.00 64.86 63.18 1kpb h ILE 63 Cb 1.26 0.93 -0.00 0.00 0.47 0.00 0.00 36.82 39.48 1kpb h ILE 63 CO 0.36 0.01 -0.01 0.77 -3.07 0.00 0.00 178.15 176.21 1kpb h SER 64 N 0.04 0.00 -0.43 2.19 4.64 -1.97 -2.09 113.55 115.93 1kpb h SER 64 Ca 0.05 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.37 1kpb h SER 64 Cb 0.14 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.23 1kpb h SER 64 CO -0.00 0.01 0.00 1.33 -0.87 0.00 0.00 176.83 177.29 1kpb n VAL 65 N -3.40 1.21 -1.98 0.95 0.24 -0.82 -5.01 118.33 109.52 1kpb n VAL 65 Ca -0.03 -1.11 -0.38 0.00 -2.04 0.00 0.00 64.34 60.77 1kpb n VAL 65 Cb 0.09 0.39 0.01 0.00 -1.47 0.00 0.00 33.84 32.86 1kpb n VAL 65 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1kpb s ALA 66 N -1.27 3.03 0.43 2.33 0.00 -0.79 -5.00 121.76 120.50 1kpb s ALA 66 Ca 0.32 1.22 -0.03 0.00 0.00 0.00 0.00 51.96 53.47 1kpb s ALA 66 Cb 0.19 -3.50 -0.03 0.00 0.00 0.00 0.00 23.12 19.78 1kpb s ALA 66 CO 0.19 -1.02 0.69 -1.21 0.00 0.00 0.00 175.76 174.41 1kpb s GLU 67 N -2.62 3.45 0.49 0.00 2.02 -1.26 -4.96 118.70 115.82 1kpb s GLU 67 Ca 0.64 -0.07 0.14 0.00 0.02 0.00 0.00 54.97 55.70 1kpb s GLU 67 Cb -0.37 -2.49 1.17 0.00 0.10 0.00 0.00 34.13 32.53 1kpb s GLU 67 CO 0.46 -0.10 2.11 -0.44 0.02 0.00 0.00 175.26 177.30 1kpb h ASP 68 N 0.42 0.14 0.90 -0.19 5.19 -2.03 0.19 116.42 121.03 1kpb h ASP 68 Ca -0.48 -0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.93 1kpb h ASP 68 Cb 1.22 -0.03 0.00 0.00 0.18 0.00 0.00 39.33 40.69 1kpb h ASP 68 CO 0.61 0.10 0.00 -0.90 -3.12 0.00 0.00 179.24 175.93 1kpb n ASP 69 N -4.51 0.44 -0.09 6.45 5.75 -1.26 -2.84 116.55 120.49 1kpb n ASP 69 Ca 0.00 0.58 0.15 0.00 -0.01 0.00 0.00 54.79 55.51 1kpb n ASP 69 Cb 0.14 -0.68 0.73 0.00 -1.03 0.00 0.00 41.12 40.27 1kpb n ASP 69 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 1kpb n ASP 70 N -1.96 0.33 0.04 -1.12 8.00 0.66 -4.32 116.55 118.18 1kpb n ASP 70 Ca 0.04 -0.67 0.00 0.00 0.71 0.00 0.00 54.79 54.88 1kpb n ASP 70 Cb 0.28 -0.10 0.31 0.00 -0.02 0.00 0.00 41.12 41.60 1kpb n ASP 70 CO 0.00 0.00 0.00 1.05 -0.39 0.00 0.00 177.20 177.86 1kpb h GLU 71 N 0.44 0.42 -0.37 -1.24 4.11 -1.62 -0.79 114.58 115.54 1kpb h GLU 71 Ca 0.00 -0.10 -0.11 0.00 0.07 0.00 0.00 59.36 59.22 1kpb h GLU 71 Cb 0.26 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.45 1kpb h GLU 71 CO 0.00 0.52 -0.20 1.03 0.07 0.00 0.00 179.01 180.43 1kpb h SER 72 N 0.40 0.83 -0.55 3.06 0.87 -1.85 -0.99 113.55 115.32 1kpb h SER 72 Ca 0.08 -0.41 -0.01 0.00 -1.23 0.00 0.00 61.79 60.22 1kpb h SER 72 Cb 0.40 -0.23 -0.03 0.00 -0.44 0.00 0.00 62.40 62.10 1kpb h SER 72 CO 0.02 1.06 0.31 0.25 -0.53 0.00 0.00 176.83 177.94 1kpb h LEU 73 N 0.60 0.67 -0.10 2.23 5.85 -1.73 -0.95 115.31 121.87 1kpb h LEU 73 Ca 0.08 -0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.73 1kpb h LEU 73 Cb 0.76 -0.17 -0.00 0.00 0.37 0.00 0.00 40.66 41.61 1kpb h LEU 73 CO 0.06 0.55 0.07 -0.07 -0.34 0.00 0.00 178.44 178.71 1kpb h LEU 74 N 0.73 0.12 -1.65 2.25 3.38 -0.96 -1.71 115.31 117.47 1kpb h LEU 74 Ca 0.19 -0.01 -0.04 0.00 0.09 0.00 0.00 57.88 58.12 1kpb h LEU 74 Cb 0.02 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 1kpb h LEU 74 CO -0.03 0.09 -0.20 1.23 0.09 0.00 0.00 178.44 179.61 1kpb h GLY 75 N 0.13 0.00 1.01 0.83 0.00 -1.03 -2.58 103.07 101.43 1kpb h GLY 75 Ca 0.04 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.29 1kpb h GLY 75 CO -0.01 0.00 0.02 0.84 0.00 0.00 0.00 176.54 177.40 1kpb h HIS 76 N 0.00 0.95 -0.94 5.60 -0.00 -0.47 0.74 115.15 121.03 1kpb h HIS 76 Ca -0.00 -0.16 0.10 0.00 -0.00 0.00 0.00 60.37 60.31 1kpb h HIS 76 Cb 0.39 -0.25 -0.08 0.00 -0.00 0.00 0.00 27.41 27.47 1kpb h HIS 76 CO 0.00 0.88 0.58 -0.07 -0.00 0.00 0.00 177.93 179.32 1kpb h LEU 77 N 0.75 0.86 -0.22 0.26 3.38 -0.93 -0.02 115.31 119.39 1kpb h LEU 77 Ca 0.15 0.04 -0.12 0.00 0.09 0.00 0.00 57.88 58.04 1kpb h LEU 77 Cb 0.49 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 41.10 1kpb h LEU 77 CO 0.02 0.48 -0.31 0.24 0.09 0.00 0.00 178.44 178.96 1kpb h MET 78 N 0.96 0.60 -0.59 1.13 2.86 -1.27 -0.89 114.93 117.73 1kpb h MET 78 Ca 0.45 -0.35 0.00 0.00 -2.06 0.00 0.00 59.70 57.75 1kpb h MET 78 Cb 0.40 0.03 -0.03 0.00 0.06 0.00 0.00 31.60 32.06 1kpb h MET 78 CO -0.24 0.96 0.38 0.82 1.06 0.00 0.00 176.91 179.88 1kpb h ILE 79 N 0.29 1.16 -0.39 -1.22 1.08 -0.50 -1.05 117.51 116.88 1kpb h ILE 79 Ca 0.02 -0.31 -0.08 0.00 -0.39 0.00 0.00 64.86 64.10 1kpb h ILE 79 Cb 0.89 0.31 -0.02 0.00 -3.07 0.00 0.00 36.82 34.94 1kpb h ILE 79 CO 0.07 0.16 -0.09 0.58 -0.69 0.00 0.00 178.15 178.18 1kpb h VAL 80 N 0.80 1.24 -0.38 1.67 2.07 -1.00 -2.24 116.25 118.41 1kpb h VAL 80 Ca 0.21 -1.08 -0.05 0.00 0.82 0.00 0.00 66.70 66.61 1kpb h VAL 80 Cb -0.07 1.05 -0.01 0.00 -1.52 0.00 0.00 31.29 30.73 1kpb h VAL 80 CO -0.04 0.36 0.05 1.23 0.02 0.00 0.00 177.57 179.19 1kpb h GLY 81 N 0.96 0.69 1.90 2.17 0.00 -0.63 -1.54 103.07 106.61 1kpb h GLY 81 Ca 0.11 -0.47 -0.09 0.00 0.00 0.00 0.00 47.33 46.88 1kpb h GLY 81 CO 0.03 0.43 -0.39 0.07 0.00 0.00 0.00 176.54 176.68 1kpb h LYS 82 N 0.48 0.11 -0.14 4.80 5.09 -1.02 -1.32 116.57 124.57 1kpb h LYS 82 Ca 0.11 -0.05 -0.12 0.00 0.09 0.00 0.00 60.65 60.68 1kpb h LYS 82 Cb 0.39 -0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.72 1kpb h LYS 82 CO 0.01 0.49 -0.38 0.87 -2.09 0.00 0.00 179.45 178.35 1kpb h LYS 83 N 0.10 0.50 -0.65 0.07 1.57 -1.24 -2.42 116.57 114.50 1kpb h LYS 83 Ca 0.01 -0.36 -0.08 0.00 -1.87 0.00 0.00 60.65 58.35 1kpb h LYS 83 Cb 0.74 0.06 -0.03 0.00 0.08 0.00 0.00 32.23 33.08 1kpb h LYS 83 CO 0.06 0.97 0.08 0.00 -0.57 0.00 0.00 179.45 179.99 1kpb h ALA 85 N 1.03 1.28 -0.21 0.00 0.00 -1.22 0.28 119.26 120.43 1kpb h ALA 85 Ca 0.20 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 55.00 1kpb h ALA 85 Cb 0.47 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 1kpb h ALA 85 CO 0.02 0.45 -0.17 0.00 0.00 0.00 0.00 179.25 179.55 1kpb h ALA 86 N 1.41 0.30 -0.56 0.00 0.00 -1.08 0.07 119.26 119.39 1kpb h ALA 86 Ca 0.39 -0.33 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 1kpb h ALA 86 Cb 0.07 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 1kpb h ALA 86 CO -0.14 0.20 0.27 -0.44 0.00 0.00 0.00 179.25 179.14 1kpb h ASP 87 N 0.16 0.70 0.00 0.00 3.32 -0.61 -1.01 116.42 118.98 1kpb h ASP 87 Ca 0.04 -0.06 0.00 0.00 0.02 0.00 0.00 57.03 57.02 1kpb h ASP 87 Cb 0.70 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 40.07 1kpb h ASP 87 CO 0.04 0.60 0.00 0.18 -1.72 0.00 0.00 179.24 178.34 1kpb n LEU 88 N -4.37 0.00 -0.67 1.55 4.77 0.95 -4.92 117.00 114.32 1kpb n LEU 88 Ca 0.05 0.00 -0.07 0.00 -0.03 0.00 0.00 56.01 55.96 1kpb n LEU 88 Cb 0.12 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.20 1kpb n LEU 88 CO 0.38 0.00 -0.08 0.61 -1.33 0.00 0.00 177.39 176.97 1kpb n GLY 89 N 0.67 0.45 2.41 -0.72 0.00 -0.38 -4.96 105.19 102.65 1kpb n GLY 89 Ca 0.09 -0.66 -0.40 0.00 0.00 0.00 0.00 46.02 45.05 1kpb n GLY 89 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1kpb n LEU 90 N -0.89 8.34 0.14 0.99 4.77 -0.01 -4.66 117.00 125.69 1kpb n LEU 90 Ca -0.08 -4.54 0.13 0.00 -0.03 0.00 0.00 56.01 51.50 1kpb n LEU 90 Cb 0.41 -1.50 0.45 0.00 -2.33 0.00 0.00 43.42 40.46 1kpb n LEU 90 CO 0.10 1.98 0.88 -0.55 -1.33 0.00 0.00 177.39 178.47 1kpb h ASN 91 N 4.96 0.00 0.73 -1.43 7.08 -1.90 -2.94 115.58 122.08 1kpb h ASN 91 Ca 0.78 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 54.00 1kpb h ASN 91 Cb 0.32 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.56 1kpb h ASN 91 CO 1.69 0.00 -0.62 0.29 -2.08 0.00 0.00 177.43 176.70 1kpb n LYS 92 N -2.42 0.21 0.00 4.14 5.02 -1.26 -5.06 118.16 118.79 1kpb n LYS 92 Ca 0.03 0.05 0.00 0.00 -2.02 0.00 0.00 58.31 56.38 1kpb n LYS 92 Cb 0.34 -1.63 0.00 0.00 -0.02 0.00 0.00 35.03 33.73 1kpb n LYS 92 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1kpb n GLY 93 N 1.38 1.67 3.76 0.72 0.00 -1.11 -5.09 105.19 106.52 1kpb n GLY 93 Ca 0.04 -2.06 -0.01 0.00 0.00 0.00 0.00 46.02 43.99 1kpb n GLY 93 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1kpb s TYR 94 N -1.37 -0.04 -0.04 1.61 -0.85 -1.26 -4.43 117.35 110.96 1kpb s TYR 94 Ca 0.00 -0.19 0.02 0.00 -0.52 0.00 0.00 57.07 56.38 1kpb s TYR 94 Cb 0.00 0.61 0.01 0.00 0.38 0.00 0.00 41.96 42.96 1kpb s TYR 94 CO 0.00 -0.58 -0.08 0.50 -1.52 0.00 0.00 175.55 173.87 1kpb s ARG 95 N -2.61 1.07 -0.10 -3.49 3.52 -0.28 -4.98 118.95 112.08 1kpb s ARG 95 Ca 0.17 -0.23 -0.04 0.00 -0.13 0.00 0.00 55.73 55.49 1kpb s ARG 95 Cb 0.01 -0.98 -0.04 0.00 -1.56 0.00 0.00 34.95 32.38 1kpb s ARG 95 CO 0.00 0.00 0.07 -1.64 -0.81 0.00 0.00 175.30 172.93 1kpb s MET 96 N 0.64 3.21 -0.01 5.12 -1.94 -1.26 -1.29 119.30 123.77 1kpb s MET 96 Ca -0.10 -0.28 -0.00 0.00 -1.71 0.00 0.00 55.69 53.60 1kpb s MET 96 Cb -0.13 -2.99 0.01 0.00 2.01 0.00 0.00 34.83 33.73 1kpb s MET 96 CO 0.01 0.74 0.02 0.08 -0.01 0.00 0.00 175.02 175.85 1kpb s VAL 97 N -0.98 -0.02 -0.15 -6.03 1.01 -0.65 -4.98 120.40 108.61 1kpb s VAL 97 Ca 0.15 0.08 0.00 0.00 0.00 0.00 0.00 61.98 62.21 1kpb s VAL 97 Cb -0.12 -0.04 0.02 0.00 0.00 0.00 0.00 36.38 36.25 1kpb s VAL 97 CO 0.04 0.03 -0.12 -0.69 0.00 0.00 0.00 175.10 174.36 1kpb s VAL 98 N 0.40 1.45 -0.14 2.92 1.01 -1.26 -0.30 120.40 124.47 1kpb s VAL 98 Ca -0.03 -0.59 -0.11 0.00 0.00 0.00 0.00 61.98 61.25 1kpb s VAL 98 Cb -0.05 -1.40 -0.05 0.00 0.00 0.00 0.00 36.38 34.89 1kpb s VAL 98 CO -0.01 0.41 0.22 0.20 0.00 0.00 0.00 175.10 175.91 1kpb s ASN 99 N 1.53 6.41 -0.21 3.32 0.01 -1.26 -5.08 114.94 119.67 1kpb s ASN 99 Ca 0.04 0.49 0.02 0.00 -0.71 0.00 0.00 52.86 52.69 1kpb s ASN 99 Cb -0.13 -2.13 0.04 0.00 0.41 0.00 0.00 41.25 39.44 1kpb s ASN 99 CO -0.10 0.25 -0.14 -0.70 -1.51 0.00 0.00 177.10 174.90 1kpb s GLU 100 N -0.24 2.44 2.54 -0.60 2.56 -1.26 -4.60 118.70 119.54 1kpb s GLU 100 Ca 0.15 -0.97 0.00 0.00 0.00 0.00 0.00 54.97 54.15 1kpb s GLU 100 Cb -0.13 -2.59 0.00 0.00 2.00 0.00 0.00 34.13 33.41 1kpb s GLU 100 CO 0.04 -0.38 0.00 0.41 -0.56 0.00 0.00 175.26 174.76 1kpb n GLY 101 N 4.59 0.06 0.38 -1.50 0.00 -1.26 -2.14 105.19 105.32 1kpb n GLY 101 Ca -0.17 -0.95 -0.15 0.00 0.00 0.00 0.00 46.02 44.76 1kpb n GLY 101 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1kpb h SER 102 N 0.00 -1.02 0.22 1.61 0.87 -1.96 -0.38 113.55 112.89 1kpb h SER 102 Ca 0.00 0.10 -0.05 0.00 -1.23 0.00 0.00 61.79 60.61 1kpb h SER 102 Cb 0.00 0.36 -0.01 0.00 -0.44 0.00 0.00 62.40 62.32 1kpb h SER 102 CO 0.00 -0.48 -0.22 0.44 -0.53 0.00 0.00 176.83 176.04 1kpb h ASP 103 N -0.69 0.00 1.08 6.23 5.19 -1.98 -2.58 116.42 123.67 1kpb h ASP 103 Ca -0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1kpb h ASP 103 Cb 0.66 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.17 1kpb h ASP 103 CO -0.13 0.22 0.00 0.61 -3.12 0.00 0.00 179.24 176.82 1kpb n GLY 104 N -0.91 -1.52 2.01 2.75 0.00 -0.91 -4.92 105.19 101.70 1kpb n GLY 104 Ca -0.02 -0.07 -0.00 0.00 0.00 0.00 0.00 46.02 45.92 1kpb n GLY 104 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1kpb n GLY 105 N 1.33 0.42 3.60 -0.02 0.00 -0.63 -4.43 105.19 105.46 1kpb n GLY 105 Ca 0.06 -0.95 -0.43 0.00 0.00 0.00 0.00 46.02 44.70 1kpb n GLY 105 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1kpb s GLN 106 N -1.79 3.33 -0.11 1.61 0.74 -0.25 -4.86 119.66 118.33 1kpb s GLN 106 Ca 0.00 1.51 -0.03 0.00 0.05 0.00 0.00 55.36 56.89 1kpb s GLN 106 Cb 0.00 -4.21 -0.01 0.00 1.10 0.00 0.00 33.01 29.89 1kpb s GLN 106 CO 0.00 -1.86 -0.01 0.66 -0.55 0.00 0.00 175.29 173.53 1kpb h SER 107 N 13.02 0.00 -3.44 6.67 4.64 -1.93 -3.44 113.55 129.07 1kpb h SER 107 Ca -0.35 -0.03 -0.59 0.00 -0.47 0.00 0.00 61.79 60.35 1kpb h SER 107 Cb 1.18 0.00 -0.10 0.00 -0.31 0.00 0.00 62.40 63.16 1kpb h SER 107 CO 1.02 0.57 -0.03 -0.69 -0.87 0.00 0.00 176.83 176.82 1kpb s VAL 108 N -1.70 5.11 -1.43 0.95 1.01 -1.26 -5.01 120.40 118.07 1kpb s VAL 108 Ca -0.03 0.98 -0.10 0.00 0.00 0.00 0.00 61.98 62.83 1kpb s VAL 108 Cb 0.00 -3.85 0.06 0.00 0.00 0.00 0.00 36.38 32.59 1kpb s VAL 108 CO 0.06 0.19 2.36 -1.22 0.00 0.00 0.00 175.10 176.49 1kpb n TYR 109 N 4.68 2.88 -3.68 5.22 4.02 -1.26 -4.69 117.16 124.33 1kpb n TYR 109 Ca -0.05 -2.92 -0.10 0.00 -0.01 0.00 0.00 57.90 54.82 1kpb n TYR 109 Cb 0.50 -2.22 -0.11 0.00 -0.02 0.00 0.00 39.34 37.49 1kpb n TYR 109 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 176.86 174.27 1kpb s HIS 110 N 1.24 -0.65 0.29 -0.72 2.46 -0.63 -4.40 115.29 112.89 1kpb s HIS 110 Ca 0.52 1.33 -0.29 0.00 0.47 0.00 0.00 55.06 57.09 1kpb s HIS 110 Cb 0.15 0.26 -0.13 0.00 -0.13 0.00 0.00 32.58 32.73 1kpb s HIS 110 CO -0.06 -0.39 1.32 0.28 -2.47 0.00 0.00 174.74 173.43 1kpb n VAL 111 N 4.68 1.55 -3.65 0.89 0.31 0.12 -4.87 118.33 117.36 1kpb n VAL 111 Ca -0.18 -0.39 -0.14 0.00 -0.01 0.00 0.00 64.34 63.63 1kpb n VAL 111 Cb 0.53 -1.50 -0.07 0.00 -0.91 0.00 0.00 33.84 31.89 1kpb n VAL 111 CO 0.00 0.00 0.00 -1.38 -1.32 0.00 0.00 176.83 174.13 1kpb s HIS 112 N -0.65 -0.75 -0.24 3.52 -3.43 -1.26 -4.26 115.29 108.23 1kpb s HIS 112 Ca 0.61 1.81 -0.07 0.00 -0.80 0.00 0.00 55.06 56.62 1kpb s HIS 112 Cb -0.61 0.26 -0.03 0.00 -1.43 0.00 0.00 32.58 30.77 1kpb s HIS 112 CO 0.57 -0.36 0.05 -1.17 -2.00 0.00 0.00 174.74 171.83 1kpb s LEU 113 N 0.38 3.39 0.24 5.38 2.96 -0.30 -4.48 118.68 126.25 1kpb s LEU 113 Ca -0.00 -0.21 -0.16 0.00 -0.22 0.00 0.00 54.13 53.54 1kpb s LEU 113 Cb -0.05 -1.90 -0.08 0.00 0.50 0.00 0.00 46.19 44.67 1kpb s LEU 113 CO 0.01 -0.01 0.68 -1.00 -1.32 0.00 0.00 176.35 174.71 1kpb s HIS 114 N 1.44 3.54 -0.11 5.38 3.76 0.59 -1.48 115.29 128.41 1kpb s HIS 114 Ca 0.05 1.23 -0.00 0.00 -0.15 0.00 0.00 55.06 56.19 1kpb s HIS 114 Cb -0.15 -2.52 0.02 0.00 1.11 0.00 0.00 32.58 31.05 1kpb s HIS 114 CO 0.03 0.28 -0.07 0.08 -0.85 0.00 0.00 174.74 174.20 1kpb s VAL 115 N -1.67 0.96 -0.02 -0.90 1.01 0.07 -1.63 120.40 118.22 1kpb s VAL 115 Ca 0.46 -0.25 0.08 0.00 0.00 0.00 0.00 61.98 62.26 1kpb s VAL 115 Cb -0.14 -0.99 -0.02 0.00 0.00 0.00 0.00 36.38 35.23 1kpb s VAL 115 CO 0.20 0.36 -0.25 -0.76 0.00 0.00 0.00 175.10 174.64 1kpb s LEU 116 N 1.69 2.05 0.00 3.92 1.02 -0.41 -1.76 118.68 125.19 1kpb s LEU 116 Ca 0.04 -0.46 -0.14 0.00 0.02 0.00 0.00 54.13 53.59 1kpb s LEU 116 Cb -0.13 -1.30 0.05 0.00 0.02 0.00 0.00 46.19 44.84 1kpb s LEU 116 CO -0.08 0.31 0.72 0.61 0.02 0.00 0.00 176.35 177.93 1kpb n GLY 117 N 2.48 0.94 1.34 -3.19 0.00 -0.40 -1.13 105.19 105.23 1kpb n GLY 117 Ca -0.16 -1.14 0.00 0.00 0.00 0.00 0.00 46.02 44.73 1kpb n GLY 117 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1kpb n GLY 118 N -0.50 0.96 3.35 -0.02 0.00 -1.26 -2.05 105.19 105.68 1kpb n GLY 118 Ca -0.04 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.88 1kpb n GLY 118 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1kpb s ARG 119 N -0.55 1.13 0.09 1.61 1.70 -1.26 -4.74 118.95 116.92 1kpb s ARG 119 Ca 0.00 -0.83 -0.31 0.00 -0.47 0.00 0.00 55.73 54.12 1kpb s ARG 119 Cb 0.00 0.45 -0.08 0.00 -0.57 0.00 0.00 34.95 34.76 1kpb s ARG 119 CO 0.00 -0.44 1.48 -1.14 -1.08 0.00 0.00 175.30 174.12 1kpb s GLN 120 N -3.85 4.27 0.05 3.89 2.00 -1.26 -4.99 119.66 119.77 1kpb s GLN 120 Ca 0.06 2.15 -0.13 0.00 -2.00 0.00 0.00 55.36 55.45 1kpb s GLN 120 Cb 0.02 -3.38 -0.06 0.00 0.80 0.00 0.00 33.01 30.39 1kpb s GLN 120 CO -0.08 -0.56 0.42 -1.64 -0.50 0.00 0.00 175.29 172.93 1kpb s MET 121 N 1.73 3.86 0.42 1.67 -1.94 -1.26 -5.09 119.30 118.70 1kpb s MET 121 Ca 0.67 0.32 0.08 0.00 -1.71 0.00 0.00 55.69 55.05 1kpb s MET 121 Cb -0.37 -3.09 0.00 0.00 2.01 0.00 0.00 34.83 33.38 1kpb s MET 121 CO 0.30 0.61 0.52 -1.01 -0.01 0.00 0.00 175.02 175.43 1kpb s HIS 122 N -1.26 2.73 -0.03 -0.03 0.09 -1.26 -5.13 115.29 110.40 1kpb s HIS 122 Ca 0.29 -0.44 0.04 0.00 -0.00 0.00 0.00 55.06 54.95 1kpb s HIS 122 Cb -0.15 -2.31 -0.00 0.00 -0.00 0.00 0.00 32.58 30.11 1kpb s HIS 122 CO 0.16 -0.35 -0.16 -0.46 -0.00 0.00 0.00 174.74 173.93 1kpb s TRP 123 N -2.40 1.52 0.86 1.40 -0.11 -1.26 -4.09 118.94 114.86 1kpb s TRP 123 Ca 0.53 -0.39 -0.11 0.00 1.22 0.00 0.00 56.10 57.34 1kpb s TRP 123 Cb -0.08 -1.02 0.11 0.00 -1.50 0.00 0.00 33.47 30.98 1kpb s TRP 123 CO 0.32 -0.12 1.09 -1.25 -4.62 0.00 0.00 176.95 172.37 1kpb s PRO 124 N -0.03 1.51 -1.53 5.86 0.04 -1.26 -5.05 135.00 134.54 1kpb s PRO 124 Ca -0.01 1.00 -0.09 0.00 0.04 0.00 0.00 61.00 61.94 1kpb s PRO 124 Cb -0.10 -1.82 -0.02 0.00 0.04 0.00 0.00 34.50 32.60 1kpb s PRO 124 CO 0.01 -2.12 2.76 -0.35 0.04 0.00 0.00 177.00 177.34 1kpb n PRO 125 N -3.82 3.93 -0.07 0.56 -0.04 -1.26 -5.21 135.00 129.09 1kpb n PRO 125 Ca 0.08 -2.60 0.00 0.00 -0.04 0.00 0.00 63.50 60.94 1kpb n PRO 125 Cb 0.54 -2.77 0.00 0.00 -0.04 0.00 0.00 33.50 31.23 1kpb n PRO 125 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87