#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wa7 n GLY 10 N 0.00 3.73 3.16 1.69 0.00 -1.26 -4.96 105.19 107.55 1wa7 n GLY 10 Ca 0.00 -0.28 -0.23 0.00 0.00 0.00 0.00 46.02 45.51 1wa7 n GLY 10 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1wa7 s ASP 11 N 0.00 1.94 0.02 1.61 1.11 -1.24 -4.99 116.67 115.13 1wa7 s ASP 11 Ca 0.00 -0.38 -0.18 0.00 0.18 0.00 0.00 52.55 52.17 1wa7 s ASP 11 Cb 0.00 -0.18 -0.06 0.00 1.07 0.00 0.00 42.92 43.75 1wa7 s ASP 11 CO 0.00 0.15 0.50 -0.51 1.18 0.00 0.00 175.17 176.49 1wa7 s ILE 12 N -0.58 4.90 0.16 0.77 1.10 -1.26 -1.09 121.20 125.20 1wa7 s ILE 12 Ca 0.05 1.05 0.05 0.00 -0.51 0.00 0.00 60.65 61.29 1wa7 s ILE 12 Cb -0.07 -3.82 -0.05 0.00 0.15 0.00 0.00 42.46 38.67 1wa7 s ILE 12 CO 0.00 0.53 -0.09 0.68 -2.11 0.00 0.00 174.94 173.95 1wa7 s VAL 13 N -0.86 1.21 -0.03 4.00 -7.23 -0.06 -4.04 120.40 113.40 1wa7 s VAL 13 Ca 0.27 -2.07 0.07 0.00 -1.81 0.00 0.00 61.98 58.44 1wa7 s VAL 13 Cb -0.18 -1.93 -0.02 0.00 0.56 0.00 0.00 36.38 34.81 1wa7 s VAL 13 CO 0.16 -0.68 -0.25 0.54 -0.31 0.00 0.00 175.10 174.56 1wa7 s VAL 14 N -3.30 2.01 0.16 1.32 0.11 0.63 0.14 120.40 121.47 1wa7 s VAL 14 Ca 0.19 -1.08 -0.30 0.00 -2.93 0.00 0.00 61.98 57.86 1wa7 s VAL 14 Cb 0.03 -1.68 -0.08 0.00 -1.53 0.00 0.00 36.38 33.12 1wa7 s VAL 14 CO 0.02 0.57 1.26 0.00 -3.33 0.00 0.00 175.10 173.62 1wa7 s ALA 15 N -0.47 3.48 -0.51 1.54 0.00 0.57 -0.06 121.76 126.31 1wa7 s ALA 15 Ca 0.06 1.01 0.22 0.00 0.00 0.00 0.00 51.96 53.25 1wa7 s ALA 15 Cb -0.11 -3.46 -0.21 0.00 0.00 0.00 0.00 23.12 19.34 1wa7 s ALA 15 CO 0.00 -0.47 0.76 1.28 0.00 0.00 0.00 175.76 177.33 1wa7 n LEU 16 N 2.97 0.51 -3.62 0.00 4.77 -0.56 0.26 117.00 121.33 1wa7 n LEU 16 Ca 0.07 -0.18 -0.14 0.00 -0.03 0.00 0.00 56.01 55.73 1wa7 n LEU 16 Cb 0.44 -0.02 -0.06 0.00 -2.33 0.00 0.00 43.42 41.45 1wa7 n LEU 16 CO 0.57 0.10 0.23 -0.31 -1.33 0.00 0.00 177.39 176.64 1wa7 s TYR 17 N -3.26 -0.37 0.59 -1.77 2.02 -1.25 -4.55 117.35 108.76 1wa7 s TYR 17 Ca 0.00 0.43 -0.19 0.00 -0.37 0.00 0.00 57.07 56.94 1wa7 s TYR 17 Cb 0.15 0.28 -0.04 0.00 -0.40 0.00 0.00 41.96 41.96 1wa7 s TYR 17 CO 0.87 -0.59 1.23 -1.25 -1.57 0.00 0.00 175.55 174.24 1wa7 s PRO 18 N -2.24 2.97 0.61 -1.71 0.04 -1.25 -3.97 135.00 129.44 1wa7 s PRO 18 Ca -0.07 1.88 0.08 0.00 0.04 0.00 0.00 61.00 62.94 1wa7 s PRO 18 Cb -0.01 -1.96 0.10 0.00 0.04 0.00 0.00 34.50 32.67 1wa7 s PRO 18 CO -0.00 -1.23 0.84 -0.47 0.04 0.00 0.00 177.00 176.18 1wa7 s TYR 19 N -1.54 1.30 -0.89 0.56 5.04 0.82 -4.91 117.35 117.72 1wa7 s TYR 19 Ca 0.77 -0.70 -0.02 0.00 -2.44 0.00 0.00 57.07 54.69 1wa7 s TYR 19 Cb -0.32 -2.31 0.22 0.00 0.35 0.00 0.00 41.96 39.90 1wa7 s TYR 19 CO 0.35 -1.30 0.78 -0.51 -1.34 0.00 0.00 175.55 173.52 1wa7 s ASP 20 N -4.71 6.01 -0.68 4.32 1.01 -1.26 -4.73 116.67 116.62 1wa7 s ASP 20 Ca 0.63 -3.69 -0.25 0.00 0.71 0.00 0.00 52.55 49.95 1wa7 s ASP 20 Cb -0.05 -1.91 -0.12 0.00 1.01 0.00 0.00 42.92 41.84 1wa7 s ASP 20 CO 0.40 -0.19 2.42 0.61 0.21 0.00 0.00 175.17 178.62 1wa7 n GLY 21 N 2.39 -0.04 0.14 0.21 0.00 -1.26 -4.58 105.19 102.04 1wa7 n GLY 21 Ca 0.21 0.49 -0.11 0.00 0.00 0.00 0.00 46.02 46.61 1wa7 n GLY 21 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1wa7 n ILE 22 N 8.21 0.84 -1.87 -0.61 5.41 -1.26 -4.99 119.36 125.08 1wa7 n ILE 22 Ca 0.45 -0.31 -0.31 0.00 1.00 0.00 0.00 62.75 63.58 1wa7 n ILE 22 Cb 0.45 -1.13 0.02 0.00 -0.71 0.00 0.00 39.64 38.27 1wa7 n ILE 22 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 176.55 175.55 1wa7 s HIS 23 N -2.29 3.41 -0.56 1.39 3.76 -1.26 -4.93 115.29 114.80 1wa7 s HIS 23 Ca -0.20 1.37 0.22 0.00 -0.15 0.00 0.00 55.06 56.30 1wa7 s HIS 23 Cb 0.06 -2.80 0.92 0.00 1.11 0.00 0.00 32.58 31.87 1wa7 s HIS 23 CO 0.33 -0.83 1.66 -0.35 -0.85 0.00 0.00 174.74 174.70 1wa7 n PRO 24 N -2.64 0.16 -0.00 8.40 -0.04 -1.26 -2.93 135.00 136.69 1wa7 n PRO 24 Ca 0.07 0.40 0.04 0.00 -0.04 0.00 0.00 63.50 63.97 1wa7 n PRO 24 Cb 0.54 -1.81 -0.05 0.00 -0.04 0.00 0.00 33.50 32.13 1wa7 n PRO 24 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1wa7 n ASP 25 N -2.11 1.42 -4.74 3.54 -0.08 -1.26 -5.01 116.55 108.31 1wa7 n ASP 25 Ca 0.02 -0.43 -0.42 0.00 -1.51 0.00 0.00 54.79 52.46 1wa7 n ASP 25 Cb 0.21 1.15 -0.00 0.00 2.34 0.00 0.00 41.12 44.82 1wa7 n ASP 25 CO 0.00 0.00 0.00 0.47 0.12 0.00 0.00 177.20 177.79 1wa7 n ASP 26 N -1.42 3.32 -4.62 1.67 8.00 -1.15 -3.46 116.55 118.88 1wa7 n ASP 26 Ca 0.00 1.21 -0.39 0.00 0.71 0.00 0.00 54.79 56.33 1wa7 n ASP 26 Cb 0.16 -1.55 -0.09 0.00 -0.02 0.00 0.00 41.12 39.62 1wa7 n ASP 26 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1wa7 s LEU 27 N -1.46 4.07 0.24 0.64 1.98 -1.20 -4.70 118.68 118.26 1wa7 s LEU 27 Ca 0.55 0.35 -0.30 0.00 -2.89 0.00 0.00 54.13 51.84 1wa7 s LEU 27 Cb -0.52 -2.45 -0.09 0.00 0.66 0.00 0.00 46.19 43.79 1wa7 s LEU 27 CO 0.62 -0.16 0.96 -0.44 -1.89 0.00 0.00 176.35 175.44 1wa7 s SER 28 N 1.48 7.61 0.06 3.68 0.01 -1.26 -4.77 113.70 120.50 1wa7 s SER 28 Ca 0.16 1.98 -0.07 0.00 1.31 0.00 0.00 55.95 59.33 1wa7 s SER 28 Cb -0.15 -2.61 -0.01 0.00 0.21 0.00 0.00 66.02 63.46 1wa7 s SER 28 CO 0.09 0.13 0.14 0.72 0.41 0.00 0.00 173.24 174.73 1wa7 s PHE 29 N -1.17 0.18 0.46 2.43 -0.12 -1.26 -4.95 117.98 113.54 1wa7 s PHE 29 Ca 0.41 -0.53 0.07 0.00 -0.05 0.00 0.00 56.93 56.83 1wa7 s PHE 29 Cb -0.27 -0.11 -0.01 0.00 -0.63 0.00 0.00 43.02 42.00 1wa7 s PHE 29 CO 0.33 -0.44 0.31 0.21 -0.05 0.00 0.00 175.22 175.57 1wa7 s LYS 30 N -3.15 2.33 0.62 1.99 2.20 -1.26 -0.13 119.74 122.34 1wa7 s LYS 30 Ca -0.00 -1.82 -0.17 0.00 -0.36 0.00 0.00 55.97 53.61 1wa7 s LYS 30 Cb 0.02 -2.13 -0.02 0.00 -1.51 0.00 0.00 37.83 34.19 1wa7 s LYS 30 CO -0.07 -0.31 1.17 -1.59 -0.36 0.00 0.00 175.35 174.19 1wa7 s LYS 31 N -4.09 2.87 0.00 4.03 0.00 -1.25 -2.19 119.74 119.10 1wa7 s LYS 31 Ca 0.40 1.67 0.00 0.00 0.00 0.00 0.00 55.97 58.04 1wa7 s LYS 31 Cb -0.00 -1.93 0.00 0.00 0.00 0.00 0.00 37.83 35.89 1wa7 s LYS 31 CO 0.23 -1.25 0.00 0.41 0.00 0.00 0.00 175.35 174.74 1wa7 n GLY 32 N 0.18 1.39 3.77 0.59 0.00 0.73 -4.88 105.19 106.96 1wa7 n GLY 32 Ca 0.12 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.76 1wa7 n GLY 32 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1wa7 s GLU 33 N -0.10 4.41 -0.07 1.61 2.12 -0.93 -4.70 118.70 121.04 1wa7 s GLU 33 Ca 0.00 1.57 -0.11 0.00 0.36 0.00 0.00 54.97 56.80 1wa7 s GLU 33 Cb 0.00 -2.82 -0.05 0.00 0.26 0.00 0.00 34.13 31.53 1wa7 s GLU 33 CO 0.00 0.06 0.26 -1.59 -0.54 0.00 0.00 175.26 173.45 1wa7 s LYS 34 N -2.04 3.68 0.06 4.30 -2.85 -1.26 0.21 119.74 121.83 1wa7 s LYS 34 Ca 0.52 0.11 0.03 0.00 -1.00 0.00 0.00 55.97 55.63 1wa7 s LYS 34 Cb -0.25 -3.21 -0.03 0.00 -2.06 0.00 0.00 37.83 32.28 1wa7 s LYS 34 CO 0.31 0.72 -0.09 -1.64 0.10 0.00 0.00 175.35 174.75 1wa7 s MET 35 N -1.00 0.64 -0.24 1.78 -1.94 0.12 -3.35 119.30 115.30 1wa7 s MET 35 Ca 0.19 -0.86 -0.09 0.00 -1.71 0.00 0.00 55.69 53.21 1wa7 s MET 35 Cb -0.14 -0.43 -0.04 0.00 2.01 0.00 0.00 34.83 36.23 1wa7 s MET 35 CO 0.08 0.08 0.12 0.15 -0.01 0.00 0.00 175.02 175.44 1wa7 s LYS 36 N -1.82 3.89 0.10 2.03 1.02 -1.03 -0.88 119.74 123.06 1wa7 s LYS 36 Ca -0.06 -0.36 -0.29 0.00 0.02 0.00 0.00 55.97 55.28 1wa7 s LYS 36 Cb -0.09 -3.45 -0.06 0.00 -0.52 0.00 0.00 37.83 33.72 1wa7 s LYS 36 CO 0.01 -0.04 0.91 0.08 -0.92 0.00 0.00 175.35 175.39 1wa7 s VAL 37 N 1.29 4.55 -0.12 3.17 1.01 -0.25 0.53 120.40 130.57 1wa7 s VAL 37 Ca 0.06 1.97 -0.01 0.00 0.00 0.00 0.00 61.98 63.99 1wa7 s VAL 37 Cb -0.14 -4.27 -0.07 0.00 0.00 0.00 0.00 36.38 31.89 1wa7 s VAL 37 CO 0.05 0.33 -0.12 0.18 0.00 0.00 0.00 175.10 175.54 1wa7 n LEU 38 N 2.77 2.30 -3.35 3.92 4.77 -0.87 -3.58 117.00 122.95 1wa7 n LEU 38 Ca 0.01 0.01 -0.15 0.00 -0.03 0.00 0.00 56.01 55.85 1wa7 n LEU 38 Cb 0.49 -0.40 -0.07 0.00 -2.33 0.00 0.00 43.42 41.11 1wa7 n LEU 38 CO 0.50 0.55 -0.13 -0.70 -1.33 0.00 0.00 177.39 176.28 1wa7 s GLU 39 N -2.23 0.57 -0.30 3.23 2.56 -1.25 -4.84 118.70 116.44 1wa7 s GLU 39 Ca -0.16 -0.58 -0.29 0.00 0.00 0.00 0.00 54.97 53.93 1wa7 s GLU 39 Cb 0.05 -0.61 0.01 0.00 2.00 0.00 0.00 34.13 35.58 1wa7 s GLU 39 CO 0.25 -1.15 1.17 -2.00 -0.56 0.00 0.00 175.26 172.97 1wa7 s GLU 40 N 1.75 4.03 0.00 4.30 2.12 -1.26 -3.50 118.70 126.14 1wa7 s GLU 40 Ca 0.15 1.18 0.00 0.00 0.36 0.00 0.00 54.97 56.65 1wa7 s GLU 40 Cb -0.14 -3.79 0.00 0.00 0.26 0.00 0.00 34.13 30.46 1wa7 s GLU 40 CO -0.12 -0.96 0.00 0.72 -0.54 0.00 0.00 175.26 174.36 1wa7 n HIS 41 N 7.10 0.00 0.00 5.30 8.25 -1.26 -4.97 115.22 129.63 1wa7 n HIS 41 Ca 0.13 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.59 1wa7 n HIS 41 Cb 0.47 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.58 1wa7 n HIS 41 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1wa7 n GLY 42 N 3.98 0.84 0.00 -1.41 0.00 -1.26 -4.93 105.19 102.40 1wa7 n GLY 42 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1wa7 n GLY 42 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1wa7 n GLU 43 N -0.16 0.97 -3.62 1.61 1.02 -1.26 -5.02 120.64 114.18 1wa7 n GLU 43 Ca 0.00 0.00 -0.29 0.00 -0.02 0.00 0.00 57.16 56.85 1wa7 n GLU 43 Cb 0.00 -0.08 -0.15 0.00 -0.02 0.00 0.00 31.44 31.19 1wa7 n GLU 43 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 1wa7 s TRP 44 N 0.00 0.95 0.11 -0.32 0.52 -1.26 -1.66 118.94 117.28 1wa7 s TRP 44 Ca 0.00 -1.32 -0.18 0.00 0.02 0.00 0.00 56.10 54.63 1wa7 s TRP 44 Cb 0.00 -1.25 -0.07 0.00 -1.15 0.00 0.00 33.47 31.00 1wa7 s TRP 44 CO 0.00 -0.85 0.58 -1.58 0.02 0.00 0.00 176.95 175.12 1wa7 s TRP 45 N 1.79 3.72 -0.49 -1.98 0.51 0.14 -4.16 118.94 118.47 1wa7 s TRP 45 Ca 0.10 1.22 -0.21 0.00 -2.12 0.00 0.00 56.10 55.10 1wa7 s TRP 45 Cb -0.17 -2.47 0.04 0.00 -0.81 0.00 0.00 33.47 30.06 1wa7 s TRP 45 CO -0.29 0.51 0.69 0.21 -0.51 0.00 0.00 176.95 177.56 1wa7 s LYS 46 N -1.49 3.21 0.28 4.98 2.20 -1.23 0.22 119.74 127.92 1wa7 s LYS 46 Ca 0.33 -0.61 0.04 0.00 -0.36 0.00 0.00 55.97 55.37 1wa7 s LYS 46 Cb -0.18 -4.04 0.04 0.00 -1.51 0.00 0.00 37.83 32.14 1wa7 s LYS 46 CO 0.19 -1.20 0.33 0.00 -0.36 0.00 0.00 175.35 174.31 1wa7 n ALA 47 N 6.43 0.55 -3.96 3.13 0.00 -0.50 -2.05 120.51 124.11 1wa7 n ALA 47 Ca -0.03 -1.05 -0.30 0.00 0.00 0.00 0.00 53.44 52.05 1wa7 n ALA 47 Cb 0.47 0.34 -0.16 0.00 0.00 0.00 0.00 19.45 20.10 1wa7 n ALA 47 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1wa7 s LYS 48 N -3.24 1.77 0.08 0.00 2.20 0.19 -2.16 119.74 118.59 1wa7 s LYS 48 Ca 0.25 -0.96 -0.34 0.00 -0.36 0.00 0.00 55.97 54.56 1wa7 s LYS 48 Cb -0.02 -2.55 -0.13 0.00 -1.51 0.00 0.00 37.83 33.63 1wa7 s LYS 48 CO 0.16 -0.55 1.71 0.45 -0.36 0.00 0.00 175.35 176.76 1wa7 n SER 49 N 4.66 3.36 0.03 1.43 2.88 1.25 -2.47 113.62 124.76 1wa7 n SER 49 Ca -0.13 1.04 0.11 0.00 -1.33 0.00 0.00 58.87 58.56 1wa7 n SER 49 Cb 0.45 -1.43 0.47 0.00 -0.75 0.00 0.00 64.21 62.95 1wa7 n SER 49 CO 0.00 0.00 0.00 -0.11 -1.23 0.00 0.00 175.04 173.70 1wa7 n LEU 50 N 4.72 0.20 0.27 2.46 0.00 -1.21 -1.55 117.00 121.88 1wa7 n LEU 50 Ca 0.19 0.53 0.10 0.00 0.00 0.00 0.00 56.01 56.83 1wa7 n LEU 50 Cb 0.30 -0.48 0.42 0.00 0.00 0.00 0.00 43.42 43.66 1wa7 n LEU 50 CO 0.67 -0.17 1.09 0.25 0.00 0.00 0.00 177.39 179.22 1wa7 h LEU 51 N 0.00 0.00 0.00 -1.96 5.85 -1.87 -3.38 115.31 113.94 1wa7 h LEU 51 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1wa7 h LEU 51 Cb 0.44 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.47 1wa7 h LEU 51 CO 0.00 0.00 0.00 1.07 -0.34 0.00 0.00 178.44 179.17 1wa7 n THR 52 N -2.81 0.00 0.00 1.05 5.66 -1.20 -5.00 114.28 111.99 1wa7 n THR 52 Ca 0.02 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.02 1wa7 n THR 52 Cb 0.78 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.56 1wa7 n THR 52 CO 0.00 0.00 0.00 2.29 -3.05 0.00 0.00 175.07 174.31 1wa7 n LYS 53 N 0.00 0.00 -3.11 1.09 -0.00 -0.59 -5.09 118.16 110.46 1wa7 n LYS 53 Ca 0.00 0.00 -0.39 0.00 -0.00 0.00 0.00 58.31 57.92 1wa7 n LYS 53 Cb 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 35.03 34.98 1wa7 n LYS 53 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.40 177.55 1wa7 s LYS 54 N 0.00 4.39 -0.17 -1.58 1.02 -0.89 -4.80 119.74 117.71 1wa7 s LYS 54 Ca 0.00 0.86 0.01 0.00 0.02 0.00 0.00 55.97 56.86 1wa7 s LYS 54 Cb 0.00 -3.36 0.02 0.00 -0.52 0.00 0.00 37.83 33.98 1wa7 s LYS 54 CO 0.00 0.31 -0.16 -1.83 -0.92 0.00 0.00 175.35 172.75 1wa7 s GLU 55 N -0.06 2.56 0.27 1.68 -1.05 -1.26 0.39 118.70 121.22 1wa7 s GLU 55 Ca 0.34 -0.73 -0.21 0.00 -0.15 0.00 0.00 54.97 54.22 1wa7 s GLU 55 Cb -0.19 -2.36 0.02 0.00 -0.44 0.00 0.00 34.13 31.17 1wa7 s GLU 55 CO 0.19 -0.26 0.70 0.20 0.95 0.00 0.00 175.26 177.05 1wa7 s GLY 56 N 1.38 -0.14 0.15 -3.83 0.00 -0.92 -4.59 107.32 99.38 1wa7 s GLY 56 Ca 0.04 -0.23 -0.30 0.00 0.00 0.00 0.00 44.72 44.22 1wa7 s GLY 56 CO -0.11 -0.07 1.21 -1.36 0.00 0.00 0.00 173.10 172.76 1wa7 s PHE 57 N -3.90 3.42 -0.01 1.90 0.08 -1.22 -1.41 117.98 116.84 1wa7 s PHE 57 Ca 0.10 1.37 0.07 0.00 0.12 0.00 0.00 56.93 58.60 1wa7 s PHE 57 Cb -0.05 -3.44 -0.02 0.00 -0.57 0.00 0.00 43.02 38.94 1wa7 s PHE 57 CO 0.05 -1.27 -0.24 0.96 -0.10 0.00 0.00 175.22 174.62 1wa7 s ILE 58 N 0.26 1.87 0.33 0.64 -4.36 0.61 -3.22 121.20 117.32 1wa7 s ILE 58 Ca 0.55 -1.06 -0.28 0.00 -0.26 0.00 0.00 60.65 59.59 1wa7 s ILE 58 Cb -0.32 -1.56 -0.10 0.00 1.25 0.00 0.00 42.46 41.73 1wa7 s ILE 58 CO 0.35 0.49 1.23 -2.16 0.24 0.00 0.00 174.94 175.08 1wa7 s PRO 59 N -0.67 4.40 0.00 0.37 0.04 -1.26 -0.68 135.00 137.19 1wa7 s PRO 59 Ca 0.09 2.05 0.08 0.00 0.04 0.00 0.00 61.00 63.26 1wa7 s PRO 59 Cb -0.09 -3.05 0.50 0.00 0.04 0.00 0.00 34.50 31.89 1wa7 s PRO 59 CO -0.00 -0.09 0.99 -1.13 0.04 0.00 0.00 177.00 176.81 1wa7 n SER 60 N 0.82 0.00 -0.08 6.66 3.41 -0.66 -3.56 113.62 120.21 1wa7 n SER 60 Ca 0.00 -0.88 -0.16 0.00 -0.26 0.00 0.00 58.87 57.57 1wa7 n SER 60 Cb 0.43 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.33 1wa7 n SER 60 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1wa7 n ASN 61 N -0.73 1.45 0.09 4.04 5.15 -1.26 -4.73 115.26 119.26 1wa7 n ASN 61 Ca 0.06 0.24 -0.14 0.00 -0.60 0.00 0.00 54.58 54.15 1wa7 n ASN 61 Cb 0.03 -0.58 -0.08 0.00 -0.53 0.00 0.00 39.78 38.62 1wa7 n ASN 61 CO 0.00 0.00 0.00 1.88 1.40 0.00 0.00 177.26 180.54 1wa7 h TYR 62 N -0.68 -1.28 -4.24 1.20 0.05 -1.92 -3.42 116.97 106.67 1wa7 h TYR 62 Ca -0.33 0.03 -0.49 0.00 0.05 0.00 0.00 58.73 58.00 1wa7 h TYR 62 Cb 1.18 0.55 0.04 0.00 1.01 0.00 0.00 36.73 39.51 1wa7 h TYR 62 CO -0.14 -0.50 0.38 0.14 -1.05 0.00 0.00 178.16 177.00 1wa7 s VAL 63 N -5.28 4.34 0.15 -2.88 -7.23 -1.25 -1.50 120.40 106.74 1wa7 s VAL 63 Ca -0.14 1.00 0.05 0.00 -1.81 0.00 0.00 61.98 61.08 1wa7 s VAL 63 Cb 0.05 -3.63 -0.04 0.00 0.56 0.00 0.00 36.38 33.31 1wa7 s VAL 63 CO 0.50 -0.75 -0.10 0.00 -0.31 0.00 0.00 175.10 174.43 1wa7 s ALA 64 N -2.74 1.50 -0.81 1.32 0.00 0.91 -4.81 121.76 117.12 1wa7 s ALA 64 Ca 0.59 -1.51 -0.25 0.00 0.00 0.00 0.00 51.96 50.79 1wa7 s ALA 64 Cb -0.12 0.04 0.01 0.00 0.00 0.00 0.00 23.12 23.05 1wa7 s ALA 64 CO 0.40 -0.09 1.55 0.15 0.00 0.00 0.00 175.76 177.77 1wa7 s LYS 65 N -3.74 3.08 -0.87 0.00 1.02 -1.26 -0.27 119.74 117.70 1wa7 s LYS 65 Ca 0.17 -0.29 -0.26 0.00 0.02 0.00 0.00 55.97 55.61 1wa7 s LYS 65 Cb 0.02 -4.66 -0.20 0.00 -0.52 0.00 0.00 37.83 32.48 1wa7 s LYS 65 CO 0.01 -2.47 2.53 -0.11 -0.92 0.00 0.00 175.35 174.39 1wa7 n LEU 66 N 10.65 0.58 -3.66 3.17 0.00 -1.26 -4.84 117.00 121.65 1wa7 n LEU 66 Ca 0.20 -0.20 -0.19 0.00 0.00 0.00 0.00 56.01 55.82 1wa7 n LEU 66 Cb 0.50 -1.06 -0.17 0.00 0.00 0.00 0.00 43.42 42.69 1wa7 n LEU 66 CO 0.68 -1.16 -0.28 0.21 0.00 0.00 0.00 177.39 176.84 1wa7 s ASN 67 N 8.50 1.01 0.00 1.96 3.84 -1.26 -4.99 114.94 124.00 1wa7 s ASN 67 Ca 1.24 0.17 0.11 0.00 0.21 0.00 0.00 52.86 54.58 1wa7 s ASN 67 Cb -0.87 0.08 0.09 0.00 -0.55 0.00 0.00 41.25 40.00 1wa7 s ASN 67 CO 0.42 -0.25 0.84 0.41 -2.79 0.00 0.00 177.10 175.73