#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 0.00 3.60 1.69 0.00 -1.26 -5.03 105.19 104.19 1wa7 n GLY 10 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 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 4.88 -0.14 1.61 1.01 -1.26 -5.02 116.67 117.75 1wa7 s ASP 11 Ca 0.00 0.01 -0.07 0.00 0.71 0.00 0.00 52.55 53.20 1wa7 s ASP 11 Cb 0.00 -1.40 -0.04 0.00 1.01 0.00 0.00 42.92 42.49 1wa7 s ASP 11 CO 0.00 0.33 0.12 -0.63 0.21 0.00 0.00 175.17 175.20 1wa7 s ILE 12 N -0.58 5.33 0.17 0.77 -1.09 -1.26 -1.96 121.20 122.56 1wa7 s ILE 12 Ca 0.09 0.15 0.04 0.00 -2.23 0.00 0.00 60.65 58.70 1wa7 s ILE 12 Cb -0.12 -3.35 -0.05 0.00 -1.58 0.00 0.00 42.46 37.37 1wa7 s ILE 12 CO 0.02 0.57 -0.06 0.68 -1.23 0.00 0.00 174.94 174.91 1wa7 s VAL 13 N -0.60 1.05 -0.03 2.92 -7.23 -0.45 -4.17 120.40 111.90 1wa7 s VAL 13 Ca 0.12 -2.04 0.07 0.00 -1.81 0.00 0.00 61.98 58.33 1wa7 s VAL 13 Cb -0.12 -1.98 -0.02 0.00 0.56 0.00 0.00 36.38 34.83 1wa7 s VAL 13 CO 0.02 -0.63 -0.24 0.54 -0.31 0.00 0.00 175.10 174.48 1wa7 s VAL 14 N -3.41 1.92 0.17 1.32 0.11 0.79 -0.48 120.40 120.83 1wa7 s VAL 14 Ca 0.20 -1.03 -0.30 0.00 -2.93 0.00 0.00 61.98 57.91 1wa7 s VAL 14 Cb 0.04 -1.60 -0.08 0.00 -1.53 0.00 0.00 36.38 33.20 1wa7 s VAL 14 CO 0.02 0.54 1.27 0.00 -3.33 0.00 0.00 175.10 173.61 1wa7 s ALA 15 N -0.48 3.49 -0.73 1.54 0.00 0.58 0.28 121.76 126.44 1wa7 s ALA 15 Ca 0.07 1.03 0.22 0.00 0.00 0.00 0.00 51.96 53.27 1wa7 s ALA 15 Cb -0.10 -3.46 -0.21 0.00 0.00 0.00 0.00 23.12 19.35 1wa7 s ALA 15 CO -0.00 -0.48 0.83 1.28 0.00 0.00 0.00 175.76 177.39 1wa7 n LEU 16 N 2.87 0.70 -3.52 0.00 4.77 -0.07 0.27 117.00 122.01 1wa7 n LEU 16 Ca 0.06 -0.32 -0.15 0.00 -0.03 0.00 0.00 56.01 55.58 1wa7 n LEU 16 Cb 0.44 -0.02 -0.05 0.00 -2.33 0.00 0.00 43.42 41.46 1wa7 n LEU 16 CO 0.57 0.17 0.36 -0.31 -1.33 0.00 0.00 177.39 176.84 1wa7 s TYR 17 N -3.14 -0.53 0.58 -1.77 2.02 -1.25 -4.56 117.35 108.70 1wa7 s TYR 17 Ca 0.04 0.67 -0.20 0.00 -0.37 0.00 0.00 57.07 57.21 1wa7 s TYR 17 Cb 0.15 0.41 -0.04 0.00 -0.40 0.00 0.00 41.96 42.09 1wa7 s TYR 17 CO 0.87 -0.67 1.24 -1.25 -1.57 0.00 0.00 175.55 174.16 1wa7 s PRO 18 N -2.28 3.03 0.61 -1.71 0.04 -1.25 -3.92 135.00 129.51 1wa7 s PRO 18 Ca -0.06 1.92 0.07 0.00 0.04 0.00 0.00 61.00 62.96 1wa7 s PRO 18 Cb -0.01 -2.02 0.09 0.00 0.04 0.00 0.00 34.50 32.61 1wa7 s PRO 18 CO -0.00 -1.18 0.83 -0.47 0.04 0.00 0.00 177.00 176.22 1wa7 s TYR 19 N -1.52 1.52 -0.92 0.56 5.04 0.95 -4.91 117.35 118.07 1wa7 s TYR 19 Ca 0.76 -0.59 -0.03 0.00 -2.44 0.00 0.00 57.07 54.77 1wa7 s TYR 19 Cb -0.33 -2.42 0.23 0.00 0.35 0.00 0.00 41.96 39.79 1wa7 s TYR 19 CO 0.36 -1.27 0.82 -0.51 -1.34 0.00 0.00 175.55 173.62 1wa7 s ASP 20 N -4.67 6.19 -0.68 4.32 1.11 -1.26 -4.73 116.67 116.95 1wa7 s ASP 20 Ca 0.63 -3.69 -0.25 0.00 0.18 0.00 0.00 52.55 49.42 1wa7 s ASP 20 Cb -0.06 -1.95 -0.12 0.00 1.07 0.00 0.00 42.92 41.86 1wa7 s ASP 20 CO 0.40 -0.20 2.42 0.61 1.18 0.00 0.00 175.17 179.58 1wa7 n GLY 21 N 2.41 -0.03 0.16 0.21 0.00 -1.26 -4.59 105.19 102.09 1wa7 n GLY 21 Ca 0.21 0.48 -0.12 0.00 0.00 0.00 0.00 46.02 46.59 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 8.29 0.88 -1.90 -0.61 2.08 -1.26 -4.99 119.36 121.85 1wa7 n ILE 22 Ca 0.44 -0.32 -0.31 0.00 0.56 0.00 0.00 62.75 63.12 1wa7 n ILE 22 Cb 0.46 -1.18 0.02 0.00 -0.75 0.00 0.00 39.64 38.18 1wa7 n ILE 22 CO 0.00 0.00 0.00 -1.00 0.56 0.00 0.00 176.55 176.11 1wa7 s HIS 23 N -2.31 3.33 -0.58 1.39 3.76 -1.26 -4.93 115.29 114.69 1wa7 s HIS 23 Ca -0.21 1.40 0.22 0.00 -0.15 0.00 0.00 55.06 56.32 1wa7 s HIS 23 Cb 0.06 -2.83 0.91 0.00 1.11 0.00 0.00 32.58 31.83 1wa7 s HIS 23 CO 0.34 -0.88 1.66 -0.35 -0.85 0.00 0.00 174.74 174.67 1wa7 n PRO 24 N -2.55 0.16 -0.00 8.40 -0.04 -1.26 -2.90 135.00 136.81 1wa7 n PRO 24 Ca 0.07 0.39 0.04 0.00 -0.04 0.00 0.00 63.50 63.97 1wa7 n PRO 24 Cb 0.54 -1.80 -0.06 0.00 -0.04 0.00 0.00 33.50 32.14 1wa7 n PRO 24 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1wa7 n ASP 25 N -2.10 1.51 -4.73 3.54 8.00 -1.26 -5.01 116.55 116.50 1wa7 n ASP 25 Ca 0.02 -0.40 -0.42 0.00 0.71 0.00 0.00 54.79 54.70 1wa7 n ASP 25 Cb 0.22 1.18 -0.01 0.00 -0.02 0.00 0.00 41.12 42.49 1wa7 n ASP 25 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1wa7 n ASP 26 N -1.47 3.29 -4.62 -2.24 8.00 -1.14 -3.54 116.55 114.82 1wa7 n ASP 26 Ca 0.00 1.20 -0.39 0.00 0.71 0.00 0.00 54.79 56.31 1wa7 n ASP 26 Cb 0.18 -1.54 -0.08 0.00 -0.02 0.00 0.00 41.12 39.66 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 -1.17 4.06 0.25 0.64 1.98 -1.22 -4.72 118.68 118.49 1wa7 s LEU 27 Ca 0.57 0.44 -0.29 0.00 -2.89 0.00 0.00 54.13 51.96 1wa7 s LEU 27 Cb -0.53 -2.55 -0.09 0.00 0.66 0.00 0.00 46.19 43.67 1wa7 s LEU 27 CO 0.59 -0.22 0.94 -0.94 -1.89 0.00 0.00 176.35 174.84 1wa7 s SER 28 N 1.51 7.59 0.06 3.68 1.04 -1.26 -4.79 113.70 121.54 1wa7 s SER 28 Ca 0.19 1.94 -0.08 0.00 0.48 0.00 0.00 55.95 58.47 1wa7 s SER 28 Cb -0.16 -2.61 -0.00 0.00 0.10 0.00 0.00 66.02 63.36 1wa7 s SER 28 CO 0.09 0.12 0.16 0.72 0.98 0.00 0.00 173.24 175.31 1wa7 s PHE 29 N -1.25 0.15 0.46 5.02 -0.12 -1.26 -4.95 117.98 116.03 1wa7 s PHE 29 Ca 0.43 -0.51 0.07 0.00 -0.05 0.00 0.00 56.93 56.86 1wa7 s PHE 29 Cb -0.25 -0.09 -0.01 0.00 -0.63 0.00 0.00 43.02 42.04 1wa7 s PHE 29 CO 0.31 -0.47 0.30 0.15 -0.05 0.00 0.00 175.22 175.46 1wa7 s LYS 30 N -3.29 2.32 0.62 1.99 1.02 -1.26 -0.04 119.74 121.10 1wa7 s LYS 30 Ca 0.01 -1.84 -0.17 0.00 0.02 0.00 0.00 55.97 53.98 1wa7 s LYS 30 Cb 0.02 -2.11 -0.02 0.00 -0.52 0.00 0.00 37.83 35.20 1wa7 s LYS 30 CO -0.08 -0.31 1.16 -1.59 -0.92 0.00 0.00 175.35 173.61 1wa7 s LYS 31 N -4.09 2.88 0.00 1.68 -2.85 -1.25 -2.21 119.74 113.89 1wa7 s LYS 31 Ca 0.39 1.65 0.00 0.00 -1.00 0.00 0.00 55.97 57.01 1wa7 s LYS 31 Cb -0.00 -1.94 0.00 0.00 -2.06 0.00 0.00 37.83 33.83 1wa7 s LYS 31 CO 0.23 -1.23 0.00 0.41 0.10 0.00 0.00 175.35 174.86 1wa7 n GLY 32 N 0.13 1.37 3.77 0.59 0.00 0.76 -4.87 105.19 106.94 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 -0.09 4.40 -0.08 1.61 -6.30 -0.94 -4.69 118.70 112.62 1wa7 s GLU 33 Ca 0.00 1.60 -0.11 0.00 -2.50 0.00 0.00 54.97 53.96 1wa7 s GLU 33 Cb 0.00 -2.83 -0.05 0.00 0.00 0.00 0.00 34.13 31.25 1wa7 s GLU 33 CO 0.00 0.05 0.28 0.15 0.02 0.00 0.00 175.26 175.76 1wa7 s LYS 34 N -2.01 3.80 0.06 4.30 1.02 -1.26 0.22 119.74 125.86 1wa7 s LYS 34 Ca 0.52 0.13 0.03 0.00 0.02 0.00 0.00 55.97 56.66 1wa7 s LYS 34 Cb -0.26 -3.25 -0.03 0.00 -0.52 0.00 0.00 37.83 33.77 1wa7 s LYS 34 CO 0.32 0.63 -0.09 -1.64 -0.92 0.00 0.00 175.35 173.66 1wa7 s MET 35 N -0.73 0.63 -0.18 1.68 -1.94 0.37 -3.04 119.30 116.10 1wa7 s MET 35 Ca 0.19 -0.90 -0.04 0.00 -1.71 0.00 0.00 55.69 53.23 1wa7 s MET 35 Cb -0.14 -0.37 -0.02 0.00 2.01 0.00 0.00 34.83 36.30 1wa7 s MET 35 CO 0.08 0.06 -0.02 0.15 -0.01 0.00 0.00 175.02 175.28 1wa7 s LYS 36 N -2.01 3.63 0.28 2.03 1.02 -1.01 -1.34 119.74 122.34 1wa7 s LYS 36 Ca -0.05 -0.53 -0.25 0.00 0.02 0.00 0.00 55.97 55.17 1wa7 s LYS 36 Cb -0.07 -2.99 -0.09 0.00 -0.52 0.00 0.00 37.83 34.15 1wa7 s LYS 36 CO -0.00 0.11 0.88 0.08 -0.92 0.00 0.00 175.35 175.51 1wa7 s VAL 37 N 0.71 4.29 -0.00 3.17 1.01 -0.83 0.20 120.40 128.94 1wa7 s VAL 37 Ca -0.01 1.73 0.00 0.00 0.00 0.00 0.00 61.98 63.70 1wa7 s VAL 37 Cb -0.14 -4.02 -0.00 0.00 0.00 0.00 0.00 36.38 32.21 1wa7 s VAL 37 CO 0.02 0.23 -0.00 0.18 0.00 0.00 0.00 175.10 175.52 1wa7 n LEU 38 N 0.78 2.74 -3.47 3.92 4.32 -0.42 -4.05 117.00 120.82 1wa7 n LEU 38 Ca -0.00 -0.00 -0.28 0.00 -0.02 0.00 0.00 56.01 55.70 1wa7 n LEU 38 Cb 0.50 -0.01 -0.12 0.00 -1.62 0.00 0.00 43.42 42.16 1wa7 n LEU 38 CO 0.45 0.46 -0.31 -1.61 -1.22 0.00 0.00 177.39 175.16 1wa7 s GLU 39 N -2.01 0.47 -0.14 3.23 2.02 -1.23 -2.52 118.70 118.52 1wa7 s GLU 39 Ca -0.01 -1.13 -0.29 0.00 0.02 0.00 0.00 54.97 53.56 1wa7 s GLU 39 Cb 0.00 -1.24 -0.02 0.00 0.10 0.00 0.00 34.13 32.97 1wa7 s GLU 39 CO 0.01 -1.17 1.31 -1.21 0.02 0.00 0.00 175.26 174.22 1wa7 s GLU 40 N 1.31 4.23 0.00 1.61 2.02 -1.26 -3.31 118.70 123.30 1wa7 s GLU 40 Ca 0.16 1.74 0.00 0.00 0.02 0.00 0.00 54.97 56.89 1wa7 s GLU 40 Cb -0.21 -3.78 0.00 0.00 0.10 0.00 0.00 34.13 30.24 1wa7 s GLU 40 CO -0.07 -0.71 0.00 0.72 0.02 0.00 0.00 175.26 175.22 1wa7 n HIS 41 N 6.58 0.00 0.00 1.61 8.25 -1.26 -5.00 115.22 125.40 1wa7 n HIS 41 Ca 0.14 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.60 1wa7 n HIS 41 Cb 0.45 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.56 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 4.65 0.33 0.00 -1.41 0.00 -1.26 -4.92 105.19 102.58 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 -0.44 1.22 -3.62 1.61 4.71 -1.26 -5.04 120.64 117.81 1wa7 n GLU 43 Ca 0.00 0.00 -0.29 0.00 -0.01 0.00 0.00 57.16 56.86 1wa7 n GLU 43 Cb 0.00 -0.10 -0.15 0.00 -1.01 0.00 0.00 31.44 30.18 1wa7 n GLU 43 CO 0.00 0.00 0.00 -1.58 0.09 0.00 0.00 177.13 175.64 1wa7 s TRP 44 N 0.00 0.81 0.03 -0.32 0.52 -1.26 -2.23 118.94 116.49 1wa7 s TRP 44 Ca 0.00 -1.10 -0.17 0.00 0.02 0.00 0.00 56.10 54.85 1wa7 s TRP 44 Cb 0.00 -1.15 -0.06 0.00 -1.15 0.00 0.00 33.47 31.11 1wa7 s TRP 44 CO 0.00 -0.80 0.50 -1.58 0.02 0.00 0.00 176.95 175.09 1wa7 s TRP 45 N 1.93 3.76 -0.52 -1.98 0.51 0.74 -4.17 118.94 119.22 1wa7 s TRP 45 Ca 0.08 1.14 -0.24 0.00 -2.12 0.00 0.00 56.10 54.96 1wa7 s TRP 45 Cb -0.16 -2.41 0.04 0.00 -0.81 0.00 0.00 33.47 30.12 1wa7 s TRP 45 CO -0.28 0.60 0.92 0.21 -0.51 0.00 0.00 176.95 177.88 1wa7 s LYS 46 N -1.02 3.40 0.47 4.98 2.20 -1.21 0.21 119.74 128.76 1wa7 s LYS 46 Ca 0.27 -0.12 0.07 0.00 -0.36 0.00 0.00 55.97 55.82 1wa7 s LYS 46 Cb -0.18 -4.01 0.07 0.00 -1.51 0.00 0.00 37.83 32.20 1wa7 s LYS 46 CO 0.16 -1.38 0.58 0.00 -0.36 0.00 0.00 175.35 174.35 1wa7 n ALA 47 N 7.31 0.93 -3.98 3.13 0.00 -0.43 -1.30 120.51 126.17 1wa7 n ALA 47 Ca 0.03 -1.72 -0.31 0.00 0.00 0.00 0.00 53.44 51.44 1wa7 n ALA 47 Cb 0.48 0.53 -0.15 0.00 0.00 0.00 0.00 19.45 20.30 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 -4.07 1.74 0.07 0.00 2.20 0.53 -2.19 119.74 118.03 1wa7 s LYS 48 Ca 0.44 -1.24 -0.35 0.00 -0.36 0.00 0.00 55.97 54.47 1wa7 s LYS 48 Cb -0.03 -2.74 -0.14 0.00 -1.51 0.00 0.00 37.83 33.41 1wa7 s LYS 48 CO 0.28 -0.66 1.63 0.45 -0.36 0.00 0.00 175.35 176.69 1wa7 n SER 49 N 4.55 2.98 0.03 1.43 2.88 1.14 -2.42 113.62 124.21 1wa7 n SER 49 Ca -0.10 1.06 0.11 0.00 -1.33 0.00 0.00 58.87 58.62 1wa7 n SER 49 Cb 0.43 -1.37 0.48 0.00 -0.75 0.00 0.00 64.21 63.00 1wa7 n SER 49 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1wa7 n LEU 50 N 4.23 0.19 0.27 2.46 4.77 -1.17 -1.47 117.00 126.27 1wa7 n LEU 50 Ca 0.19 0.53 0.10 0.00 -0.03 0.00 0.00 56.01 56.80 1wa7 n LEU 50 Cb 0.27 -0.48 0.41 0.00 -2.33 0.00 0.00 43.42 41.29 1wa7 n LEU 50 CO 0.67 -0.16 1.09 0.25 -1.33 0.00 0.00 177.39 177.90 1wa7 h LEU 51 N 0.00 0.00 0.00 2.23 5.85 -1.87 -3.38 115.31 118.14 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 -2.80 0.00 0.00 1.05 5.66 -1.20 -4.99 114.28 111.99 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 -3.02 1.09 -0.00 -0.54 -5.09 118.16 110.61 1wa7 n LYS 53 Ca 0.00 0.00 -0.40 0.00 -0.00 0.00 0.00 58.31 57.91 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 4.47 -0.21 -1.58 3.01 -0.82 -4.79 119.74 119.83 1wa7 s LYS 54 Ca 0.00 1.01 0.01 0.00 -1.01 0.00 0.00 55.97 55.99 1wa7 s LYS 54 Cb 0.00 -3.36 0.04 0.00 -1.01 0.00 0.00 37.83 33.50 1wa7 s LYS 54 CO 0.00 0.30 -0.12 -2.00 0.51 0.00 0.00 175.35 174.04 1wa7 s GLU 55 N -0.08 2.24 0.25 1.68 2.56 -1.26 0.36 118.70 124.45 1wa7 s GLU 55 Ca 0.37 -0.97 -0.17 0.00 0.00 0.00 0.00 54.97 54.21 1wa7 s GLU 55 Cb -0.20 -2.56 0.01 0.00 2.00 0.00 0.00 34.13 33.37 1wa7 s GLU 55 CO 0.22 -0.43 0.57 0.20 -0.56 0.00 0.00 175.26 175.27 1wa7 s GLY 56 N 1.30 0.18 0.13 -1.50 0.00 -0.93 -4.62 107.32 101.88 1wa7 s GLY 56 Ca -0.02 -0.54 -0.31 0.00 0.00 0.00 0.00 44.72 43.86 1wa7 s GLY 56 CO -0.08 -0.36 1.28 -1.36 0.00 0.00 0.00 173.10 172.58 1wa7 s PHE 57 N -3.95 3.34 -0.02 1.90 0.08 -1.23 -1.32 117.98 116.78 1wa7 s PHE 57 Ca 0.16 1.20 0.08 0.00 0.12 0.00 0.00 56.93 58.48 1wa7 s PHE 57 Cb -0.03 -3.54 -0.02 0.00 -0.57 0.00 0.00 43.02 38.87 1wa7 s PHE 57 CO 0.06 -1.72 -0.25 0.96 -0.10 0.00 0.00 175.22 174.17 1wa7 s ILE 58 N 0.65 1.96 0.75 0.64 -4.36 0.56 -3.44 121.20 117.96 1wa7 s ILE 58 Ca 0.59 -1.06 -0.12 0.00 -0.26 0.00 0.00 60.65 59.80 1wa7 s ILE 58 Cb -0.34 -1.63 0.05 0.00 1.25 0.00 0.00 42.46 41.79 1wa7 s ILE 58 CO 0.33 0.55 1.10 -2.16 0.24 0.00 0.00 174.94 175.00 1wa7 s PRO 59 N -0.55 2.31 0.00 0.37 0.04 -1.26 -0.18 135.00 135.73 1wa7 s PRO 59 Ca 0.09 1.25 0.14 0.00 0.04 0.00 0.00 61.00 62.51 1wa7 s PRO 59 Cb -0.10 -1.90 0.55 0.00 0.04 0.00 0.00 34.50 33.09 1wa7 s PRO 59 CO -0.01 -1.61 1.39 -1.13 0.04 0.00 0.00 177.00 175.69 1wa7 n SER 60 N -3.29 1.19 -0.06 6.66 3.41 -0.95 -4.20 113.62 116.39 1wa7 n SER 60 Ca 0.10 -1.80 -0.12 0.00 -0.26 0.00 0.00 58.87 56.79 1wa7 n SER 60 Cb 0.53 -0.11 -0.04 0.00 -0.26 0.00 0.00 64.21 64.32 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 0.07 1.24 -0.03 4.04 5.15 -1.26 -4.76 115.26 119.71 1wa7 n ASN 61 Ca 0.12 0.20 -0.10 0.00 -0.60 0.00 0.00 54.58 54.20 1wa7 n ASN 61 Cb 0.22 -0.48 -0.07 0.00 -0.53 0.00 0.00 39.78 38.92 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 -0.54 -1.09 -4.21 1.20 0.05 -1.92 -3.42 116.97 107.04 1wa7 h TYR 62 Ca -0.24 0.04 -0.48 0.00 0.05 0.00 0.00 58.73 58.11 1wa7 h TYR 62 Cb 1.03 0.49 0.03 0.00 1.01 0.00 0.00 36.73 39.30 1wa7 h TYR 62 CO -0.12 -0.36 0.38 0.14 -1.05 0.00 0.00 178.16 177.16 1wa7 s VAL 63 N -4.78 4.36 0.15 -2.88 -7.23 -1.26 -0.89 120.40 107.86 1wa7 s VAL 63 Ca -0.10 1.10 0.02 0.00 -1.81 0.00 0.00 61.98 61.19 1wa7 s VAL 63 Cb 0.05 -3.64 -0.04 0.00 0.56 0.00 0.00 36.38 33.30 1wa7 s VAL 63 CO 0.41 -0.68 -0.03 0.00 -0.31 0.00 0.00 175.10 174.49 1wa7 s ALA 64 N -2.63 1.25 0.45 1.32 0.00 0.14 -4.81 121.76 117.48 1wa7 s ALA 64 Ca 0.60 -1.51 -0.22 0.00 0.00 0.00 0.00 51.96 50.83 1wa7 s ALA 64 Cb -0.12 0.38 -0.09 0.00 0.00 0.00 0.00 23.12 23.30 1wa7 s ALA 64 CO 0.35 -0.27 1.03 -1.59 0.00 0.00 0.00 175.76 175.28 1wa7 s LYS 65 N -3.87 3.98 0.41 0.00 -2.85 -1.26 -0.15 119.74 115.99 1wa7 s LYS 65 Ca 0.20 1.39 0.08 0.00 -1.00 0.00 0.00 55.97 56.63 1wa7 s LYS 65 Cb 0.05 -2.27 -0.03 0.00 -2.06 0.00 0.00 37.83 33.52 1wa7 s LYS 65 CO 0.01 -0.28 0.29 -0.48 0.10 0.00 0.00 175.35 174.99 1wa7 s LEU 66 N -3.14 3.29 0.00 2.77 2.34 -1.26 -4.80 118.68 117.88 1wa7 s LEU 66 Ca 0.63 -0.86 0.00 0.00 0.06 0.00 0.00 54.13 53.96 1wa7 s LEU 66 Cb -0.18 -1.82 0.00 0.00 -0.56 0.00 0.00 46.19 43.64 1wa7 s LEU 66 CO 0.22 -0.59 0.00 -3.20 -1.06 0.00 0.00 176.35 171.72 1wa7 n ASN 67 N -1.41 0.00 -0.28 1.48 2.85 -1.26 -5.06 115.26 111.58 1wa7 n ASN 67 Ca 0.01 0.00 0.15 0.00 -0.11 0.00 0.00 54.58 54.63 1wa7 n ASN 67 Cb 0.63 0.00 0.70 0.00 1.24 0.00 0.00 39.78 42.35 1wa7 n ASN 67 CO 0.00 0.00 0.00 0.41 -2.11 0.00 0.00 177.26 175.56