#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wa7 s GLY 10 N 0.00 -0.00 0.22 1.08 0.00 -1.26 -4.63 107.32 102.73 1wa7 s GLY 10 Ca 0.00 2.95 -0.18 0.00 0.00 0.00 0.00 44.72 47.49 1wa7 s GLY 10 CO 0.00 1.94 0.87 1.22 0.00 0.00 0.00 173.10 177.13 1wa7 n ASP 11 N 2.19 -1.73 -4.32 1.64 8.00 -1.18 -5.03 116.55 116.12 1wa7 n ASP 11 Ca -0.12 -2.01 -0.31 0.00 0.71 0.00 0.00 54.79 53.05 1wa7 n ASP 11 Cb 0.56 2.83 -0.16 0.00 -0.02 0.00 0.00 41.12 44.34 1wa7 n ASP 11 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1wa7 s ILE 12 N -2.13 2.22 0.17 0.53 -1.09 -1.26 -1.05 121.20 118.59 1wa7 s ILE 12 Ca 0.19 -1.03 0.04 0.00 -2.23 0.00 0.00 60.65 57.61 1wa7 s ILE 12 Cb -0.03 -1.80 -0.05 0.00 -1.58 0.00 0.00 42.46 39.01 1wa7 s ILE 12 CO 0.07 0.58 -0.06 0.68 -1.23 0.00 0.00 174.94 174.97 1wa7 s VAL 13 N -0.47 1.04 -0.01 2.92 -7.23 -0.36 -3.54 120.40 112.75 1wa7 s VAL 13 Ca 0.06 -2.04 0.08 0.00 -1.81 0.00 0.00 61.98 58.27 1wa7 s VAL 13 Cb -0.11 -1.99 -0.02 0.00 0.56 0.00 0.00 36.38 34.82 1wa7 s VAL 13 CO 0.01 -0.62 -0.25 0.54 -0.31 0.00 0.00 175.10 174.47 1wa7 s VAL 14 N -3.41 1.97 0.16 1.32 0.11 0.45 -0.37 120.40 120.62 1wa7 s VAL 14 Ca 0.20 -1.09 -0.30 0.00 -2.93 0.00 0.00 61.98 57.86 1wa7 s VAL 14 Cb 0.04 -1.64 -0.08 0.00 -1.53 0.00 0.00 36.38 33.17 1wa7 s VAL 14 CO 0.03 0.53 1.21 0.00 -3.33 0.00 0.00 175.10 173.54 1wa7 s ALA 15 N -0.61 3.44 -0.47 1.54 0.00 0.62 -0.31 121.76 125.98 1wa7 s ALA 15 Ca 0.10 0.94 0.22 0.00 0.00 0.00 0.00 51.96 53.21 1wa7 s ALA 15 Cb -0.10 -3.43 -0.28 0.00 0.00 0.00 0.00 23.12 19.31 1wa7 s ALA 15 CO -0.01 -0.40 0.68 1.28 0.00 0.00 0.00 175.76 177.31 1wa7 n LEU 16 N 2.84 0.45 -3.58 0.00 4.77 -0.75 0.26 117.00 120.99 1wa7 n LEU 16 Ca 0.06 -0.22 -0.14 0.00 -0.03 0.00 0.00 56.01 55.68 1wa7 n LEU 16 Cb 0.45 -0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.48 1wa7 n LEU 16 CO 0.56 0.11 0.28 -0.31 -1.33 0.00 0.00 177.39 176.70 1wa7 s TYR 17 N -3.29 -0.42 0.59 -1.77 2.02 -1.25 -4.51 117.35 108.72 1wa7 s TYR 17 Ca -0.01 0.47 -0.19 0.00 -0.37 0.00 0.00 57.07 56.97 1wa7 s TYR 17 Cb 0.15 0.34 -0.03 0.00 -0.40 0.00 0.00 41.96 42.01 1wa7 s TYR 17 CO 0.89 -0.64 1.26 -1.25 -1.57 0.00 0.00 175.55 174.23 1wa7 s PRO 18 N -2.44 2.96 0.61 -1.71 0.04 -1.25 -3.95 135.00 129.26 1wa7 s PRO 18 Ca -0.05 1.96 0.08 0.00 0.04 0.00 0.00 61.00 63.03 1wa7 s PRO 18 Cb -0.01 -2.01 0.10 0.00 0.04 0.00 0.00 34.50 32.63 1wa7 s PRO 18 CO -0.02 -1.25 0.84 -0.47 0.04 0.00 0.00 177.00 176.14 1wa7 s TYR 19 N -1.48 1.39 -0.91 0.56 5.04 0.88 -4.92 117.35 117.92 1wa7 s TYR 19 Ca 0.77 -0.65 -0.02 0.00 -2.44 0.00 0.00 57.07 54.72 1wa7 s TYR 19 Cb -0.34 -2.36 0.22 0.00 0.35 0.00 0.00 41.96 39.84 1wa7 s TYR 19 CO 0.38 -1.29 0.80 -0.51 -1.34 0.00 0.00 175.55 173.59 1wa7 s ASP 20 N -4.69 6.10 -0.69 4.32 1.11 -1.26 -4.73 116.67 116.83 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 -0.05 -1.93 -0.13 0.00 1.07 0.00 0.00 42.92 41.87 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 2.40 -0.05 0.16 0.21 0.00 -1.26 -4.59 105.19 102.06 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 8.24 0.88 -1.94 -0.61 2.08 -1.26 -4.99 119.36 121.76 1wa7 n ILE 22 Ca 0.45 -0.31 -0.32 0.00 0.56 0.00 0.00 62.75 63.13 1wa7 n ILE 22 Cb 0.44 -1.17 0.01 0.00 -0.75 0.00 0.00 39.64 38.17 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 -2.30 3.33 -0.62 1.39 3.76 -1.26 -4.93 115.29 114.65 1wa7 s HIS 23 Ca -0.21 1.41 0.21 0.00 -0.15 0.00 0.00 55.06 56.32 1wa7 s HIS 23 Cb 0.06 -2.83 0.87 0.00 1.11 0.00 0.00 32.58 31.79 1wa7 s HIS 23 CO 0.34 -0.85 1.63 -0.35 -0.85 0.00 0.00 174.74 174.67 1wa7 n PRO 24 N -2.46 0.14 -0.00 8.40 -0.04 -1.26 -2.87 135.00 136.91 1wa7 n PRO 24 Ca 0.07 0.38 0.04 0.00 -0.04 0.00 0.00 63.50 63.95 1wa7 n PRO 24 Cb 0.54 -1.77 -0.06 0.00 -0.04 0.00 0.00 33.50 32.17 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 -2.03 1.42 -4.74 3.54 9.92 -1.26 -5.01 116.55 118.39 1wa7 n ASP 25 Ca 0.02 -0.43 -0.42 0.00 -0.53 0.00 0.00 54.79 53.44 1wa7 n ASP 25 Cb 0.20 1.15 -0.00 0.00 -0.64 0.00 0.00 41.12 41.83 1wa7 n ASP 25 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 1wa7 n ASP 26 N -1.43 3.35 -4.62 -2.24 8.00 -1.14 -3.62 116.55 114.85 1wa7 n ASP 26 Ca 0.00 1.22 -0.39 0.00 0.71 0.00 0.00 54.79 56.33 1wa7 n ASP 26 Cb 0.17 -1.56 -0.08 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 -1.53 4.06 0.25 0.64 1.98 -1.20 -4.72 118.68 118.16 1wa7 s LEU 27 Ca 0.55 0.38 -0.30 0.00 -2.89 0.00 0.00 54.13 51.87 1wa7 s LEU 27 Cb -0.52 -2.49 -0.09 0.00 0.66 0.00 0.00 46.19 43.75 1wa7 s LEU 27 CO 0.62 -0.19 0.96 -0.44 -1.89 0.00 0.00 176.35 175.42 1wa7 s SER 28 N 1.52 7.58 0.05 3.68 0.01 -1.26 -4.77 113.70 120.51 1wa7 s SER 28 Ca 0.17 1.99 -0.07 0.00 1.31 0.00 0.00 55.95 59.35 1wa7 s SER 28 Cb -0.16 -2.61 -0.01 0.00 0.21 0.00 0.00 66.02 63.46 1wa7 s SER 28 CO 0.09 0.10 0.14 0.72 0.41 0.00 0.00 173.24 174.71 1wa7 s PHE 29 N -1.20 0.17 0.46 2.43 -0.12 -1.26 -4.95 117.98 113.51 1wa7 s PHE 29 Ca 0.42 -0.51 0.07 0.00 -0.05 0.00 0.00 56.93 56.85 1wa7 s PHE 29 Cb -0.26 -0.11 -0.01 0.00 -0.63 0.00 0.00 43.02 42.01 1wa7 s PHE 29 CO 0.33 -0.44 0.30 -1.59 -0.05 0.00 0.00 175.22 173.78 1wa7 s LYS 30 N -3.08 2.32 0.63 1.99 -2.85 -1.26 -0.08 119.74 117.40 1wa7 s LYS 30 Ca -0.01 -1.84 -0.17 0.00 -1.00 0.00 0.00 55.97 52.95 1wa7 s LYS 30 Cb 0.01 -2.11 -0.02 0.00 -2.06 0.00 0.00 37.83 33.65 1wa7 s LYS 30 CO -0.07 -0.32 1.17 -1.59 0.10 0.00 0.00 175.35 174.64 1wa7 s LYS 31 N -4.09 2.84 0.00 1.78 0.00 -1.25 -2.24 119.74 116.77 1wa7 s LYS 31 Ca 0.39 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 35.90 1wa7 s LYS 31 CO 0.23 -1.27 0.00 0.41 0.00 0.00 0.00 175.35 174.72 1wa7 n GLY 32 N 0.18 1.46 3.77 0.59 0.00 0.72 -4.87 105.19 107.04 1wa7 n GLY 32 Ca 0.12 0.00 -0.39 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 -0.11 4.50 -0.08 1.61 2.56 -0.95 -4.70 118.70 121.54 1wa7 s GLU 33 Ca 0.00 1.60 -0.10 0.00 0.00 0.00 0.00 54.97 56.47 1wa7 s GLU 33 Cb 0.00 -2.93 -0.05 0.00 2.00 0.00 0.00 34.13 33.15 1wa7 s GLU 33 CO 0.00 0.14 0.25 0.21 -0.56 0.00 0.00 175.26 175.30 1wa7 s LYS 34 N -1.85 3.66 0.06 4.30 2.20 -1.26 0.23 119.74 127.08 1wa7 s LYS 34 Ca 0.49 0.09 0.03 0.00 -0.36 0.00 0.00 55.97 56.22 1wa7 s LYS 34 Cb -0.26 -3.21 -0.03 0.00 -1.51 0.00 0.00 37.83 32.82 1wa7 s LYS 34 CO 0.33 0.72 -0.09 -1.64 -0.36 0.00 0.00 175.35 174.31 1wa7 s MET 35 N -0.98 0.62 -0.23 4.03 -1.94 0.49 -3.48 119.30 117.82 1wa7 s MET 35 Ca 0.18 -0.88 -0.08 0.00 -1.71 0.00 0.00 55.69 53.21 1wa7 s MET 35 Cb -0.14 -0.37 -0.04 0.00 2.01 0.00 0.00 34.83 36.30 1wa7 s MET 35 CO 0.08 0.06 0.09 0.21 -0.01 0.00 0.00 175.02 175.44 1wa7 s LYS 36 N -1.94 3.81 -0.38 2.03 2.36 -1.01 -1.23 119.74 123.39 1wa7 s LYS 36 Ca -0.05 -0.41 -0.28 0.00 -2.55 0.00 0.00 55.97 52.68 1wa7 s LYS 36 Cb -0.08 -3.34 0.02 0.00 -1.05 0.00 0.00 37.83 33.39 1wa7 s LYS 36 CO 0.00 -0.03 1.04 0.08 1.55 0.00 0.00 175.35 177.99 1wa7 s VAL 37 N 1.21 4.46 -0.16 4.02 1.01 -0.22 -0.46 120.40 130.26 1wa7 s VAL 37 Ca 0.05 1.42 -0.13 0.00 0.00 0.00 0.00 61.98 63.32 1wa7 s VAL 37 Cb -0.14 -4.44 -0.23 0.00 0.00 0.00 0.00 36.38 31.57 1wa7 s VAL 37 CO 0.04 -0.63 0.30 0.18 0.00 0.00 0.00 175.10 174.98 1wa7 n LEU 38 N 7.08 2.32 -3.47 3.92 4.32 -0.79 -3.12 117.00 127.26 1wa7 n LEU 38 Ca 0.10 0.30 -0.24 0.00 -0.02 0.00 0.00 56.01 56.15 1wa7 n LEU 38 Cb 0.48 -1.06 -0.12 0.00 -1.62 0.00 0.00 43.42 41.10 1wa7 n LEU 38 CO 0.62 0.62 -0.26 -1.61 -1.22 0.00 0.00 177.39 175.54 1wa7 s GLU 39 N -2.48 0.33 -0.32 3.23 2.02 -1.23 -4.65 118.70 115.60 1wa7 s GLU 39 Ca -0.25 -0.57 -0.26 0.00 0.02 0.00 0.00 54.97 53.91 1wa7 s GLU 39 Cb 0.06 -0.98 0.01 0.00 0.10 0.00 0.00 34.13 33.33 1wa7 s GLU 39 CO 0.69 -1.07 0.92 -2.00 0.02 0.00 0.00 175.26 173.82 1wa7 s GLU 40 N 1.95 4.00 0.00 1.61 2.12 -1.26 -3.15 118.70 123.97 1wa7 s GLU 40 Ca 0.11 0.79 0.00 0.00 0.36 0.00 0.00 54.97 56.23 1wa7 s GLU 40 Cb -0.16 -3.74 0.00 0.00 0.26 0.00 0.00 34.13 30.49 1wa7 s GLU 40 CO -0.26 -0.79 0.00 0.72 -0.54 0.00 0.00 175.26 174.39 1wa7 n HIS 41 N 6.51 0.00 -0.29 5.30 8.25 -1.26 -4.94 115.22 128.79 1wa7 n HIS 41 Ca 0.07 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.53 1wa7 n HIS 41 Cb 0.48 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.59 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 3.27 0.69 0.00 -1.41 0.00 -1.26 -4.96 105.19 101.53 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 0.00 1.23 -3.70 1.61 -0.58 -1.26 -5.04 120.64 112.90 1wa7 n GLU 43 Ca 0.00 0.00 -0.29 0.00 -0.42 0.00 0.00 57.16 56.45 1wa7 n GLU 43 Cb 0.00 -0.28 -0.15 0.00 -0.57 0.00 0.00 31.44 30.43 1wa7 n GLU 43 CO 0.00 0.00 0.00 -1.58 -0.48 0.00 0.00 177.13 175.07 1wa7 s TRP 44 N -0.64 1.30 0.19 -0.32 0.52 -1.26 -1.75 118.94 116.97 1wa7 s TRP 44 Ca 0.00 -1.38 -0.13 0.00 0.02 0.00 0.00 56.10 54.61 1wa7 s TRP 44 Cb 0.00 -1.41 -0.07 0.00 -1.15 0.00 0.00 33.47 30.84 1wa7 s TRP 44 CO 0.00 -0.81 0.57 -1.58 0.02 0.00 0.00 176.95 175.15 1wa7 s TRP 45 N 1.76 3.52 -0.45 -1.98 0.51 -0.18 -4.18 118.94 117.94 1wa7 s TRP 45 Ca 0.07 1.01 -0.18 0.00 -2.12 0.00 0.00 56.10 54.89 1wa7 s TRP 45 Cb -0.17 -2.35 0.04 0.00 -0.81 0.00 0.00 33.47 30.18 1wa7 s TRP 45 CO -0.24 0.34 0.50 0.21 -0.51 0.00 0.00 176.95 177.25 1wa7 s LYS 46 N -2.35 3.10 0.17 4.98 2.20 -1.19 0.26 119.74 126.91 1wa7 s LYS 46 Ca 0.43 -0.84 0.02 0.00 -0.36 0.00 0.00 55.97 55.22 1wa7 s LYS 46 Cb -0.13 -4.02 0.02 0.00 -1.51 0.00 0.00 37.83 32.19 1wa7 s LYS 46 CO 0.20 -0.99 0.17 0.00 -0.36 0.00 0.00 175.35 174.37 1wa7 n ALA 47 N 5.76 0.30 -3.55 3.13 0.00 -0.48 -1.89 120.51 123.77 1wa7 n ALA 47 Ca -0.07 -0.64 -0.28 0.00 0.00 0.00 0.00 53.44 52.44 1wa7 n ALA 47 Cb 0.46 0.23 -0.17 0.00 0.00 0.00 0.00 19.45 19.98 1wa7 n ALA 47 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1wa7 s LYS 48 N -2.72 2.17 0.02 0.00 1.02 0.39 -2.24 119.74 118.38 1wa7 s LYS 48 Ca 0.13 -0.56 -0.30 0.00 0.02 0.00 0.00 55.97 55.26 1wa7 s LYS 48 Cb -0.01 -1.81 -0.06 0.00 -0.52 0.00 0.00 37.83 35.44 1wa7 s LYS 48 CO 0.08 -0.01 1.38 0.45 -0.92 0.00 0.00 175.35 176.33 1wa7 s SER 49 N 0.83 6.87 0.00 2.83 0.15 0.92 -2.41 113.70 122.88 1wa7 s SER 49 Ca -0.10 2.13 0.18 0.00 0.70 0.00 0.00 55.95 58.86 1wa7 s SER 49 Cb -0.15 -2.56 0.84 0.00 -1.71 0.00 0.00 66.02 62.43 1wa7 s SER 49 CO 0.01 -0.69 1.56 0.18 1.20 0.00 0.00 173.24 175.50 1wa7 n LEU 50 N 5.10 0.00 0.09 3.45 4.32 -1.23 -1.49 117.00 127.24 1wa7 n LEU 50 Ca 0.13 0.40 -0.12 0.00 -0.02 0.00 0.00 56.01 56.39 1wa7 n LEU 50 Cb 0.44 -0.40 -0.05 0.00 -1.62 0.00 0.00 43.42 41.78 1wa7 n LEU 50 CO 0.58 -0.16 0.67 0.25 -1.22 0.00 0.00 177.39 177.52 1wa7 h LEU 51 N 0.00 -0.84 -1.97 2.23 5.85 -1.89 -3.40 115.31 115.30 1wa7 h LEU 51 Ca 0.00 0.10 -0.12 0.00 0.84 0.00 0.00 57.88 58.70 1wa7 h LEU 51 Cb 0.24 0.33 -0.12 0.00 0.37 0.00 0.00 40.66 41.48 1wa7 h LEU 51 CO 0.00 -0.37 -0.27 1.07 -0.34 0.00 0.00 178.44 178.53 1wa7 n THR 52 N -5.40 0.00 -1.58 1.05 5.66 -1.21 -5.00 114.28 107.80 1wa7 n THR 52 Ca -0.06 -0.01 0.00 0.00 -3.05 0.00 0.00 64.05 60.94 1wa7 n THR 52 Cb 0.31 0.48 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 0.29 -3.05 0.00 0.00 175.07 172.31 1wa7 n LYS 53 N -0.01 0.00 -3.09 1.09 4.76 -0.56 -5.05 118.16 115.31 1wa7 n LYS 53 Ca -0.26 0.00 -0.39 0.00 -2.87 0.00 0.00 58.31 54.78 1wa7 n LYS 53 Cb 0.68 -1.78 -0.05 0.00 -1.84 0.00 0.00 35.03 32.04 1wa7 n LYS 53 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 1wa7 s LYS 54 N -3.01 4.41 -0.19 1.97 2.36 -1.02 -4.78 119.74 119.49 1wa7 s LYS 54 Ca 0.00 0.86 0.01 0.00 -2.55 0.00 0.00 55.97 54.29 1wa7 s LYS 54 Cb 0.00 -3.40 0.03 0.00 -1.05 0.00 0.00 37.83 33.41 1wa7 s LYS 54 CO 0.00 0.20 -0.16 -2.00 1.55 0.00 0.00 175.35 174.94 1wa7 s GLU 55 N 0.34 2.55 0.26 4.03 2.12 -1.26 0.31 118.70 127.05 1wa7 s GLU 55 Ca 0.35 -0.86 -0.20 0.00 0.36 0.00 0.00 54.97 54.62 1wa7 s GLU 55 Cb -0.18 -2.50 0.02 0.00 0.26 0.00 0.00 34.13 31.73 1wa7 s GLU 55 CO 0.19 -0.32 0.66 0.20 -0.54 0.00 0.00 175.26 175.45 1wa7 s GLY 56 N 1.32 -0.05 0.18 -1.50 0.00 -0.95 -4.61 107.32 101.71 1wa7 s GLY 56 Ca 0.02 -0.31 -0.30 0.00 0.00 0.00 0.00 44.72 44.12 1wa7 s GLY 56 CO -0.10 -0.16 1.17 -1.36 0.00 0.00 0.00 173.10 172.64 1wa7 s PHE 57 N -3.91 3.48 -0.02 1.90 0.40 -1.24 -1.39 117.98 117.19 1wa7 s PHE 57 Ca 0.12 1.48 0.07 0.00 -0.60 0.00 0.00 56.93 57.99 1wa7 s PHE 57 Cb -0.04 -3.38 -0.02 0.00 0.51 0.00 0.00 43.02 40.09 1wa7 s PHE 57 CO 0.05 -1.01 -0.23 0.96 0.70 0.00 0.00 175.22 175.68 1wa7 s ILE 58 N -0.08 1.81 0.12 0.64 -4.36 0.72 -3.26 121.20 116.79 1wa7 s ILE 58 Ca 0.52 -0.97 -0.30 0.00 -0.26 0.00 0.00 60.65 59.63 1wa7 s ILE 58 Cb -0.31 -1.50 -0.07 0.00 1.25 0.00 0.00 42.46 41.82 1wa7 s ILE 58 CO 0.36 0.51 1.24 -2.16 0.24 0.00 0.00 174.94 175.13 1wa7 s PRO 59 N -0.47 4.43 0.00 0.37 0.04 -1.26 -1.01 135.00 137.10 1wa7 s PRO 59 Ca 0.07 1.87 0.03 0.00 0.04 0.00 0.00 61.00 63.01 1wa7 s PRO 59 Cb -0.09 -3.29 0.17 0.00 0.04 0.00 0.00 34.50 31.33 1wa7 s PRO 59 CO -0.00 -0.23 0.53 -1.13 0.04 0.00 0.00 177.00 176.20 1wa7 n SER 60 N 3.38 0.00 -0.12 6.66 3.41 -0.72 -2.84 113.62 123.38 1wa7 n SER 60 Ca 0.08 -0.20 -0.24 0.00 -0.26 0.00 0.00 58.87 58.25 1wa7 n SER 60 Cb 0.45 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 64.31 1wa7 n SER 60 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 1wa7 n ASN 61 N -0.82 1.94 0.38 4.04 6.94 -1.26 -4.65 115.26 121.82 1wa7 n ASN 61 Ca 0.02 0.36 -0.19 0.00 -0.02 0.00 0.00 54.58 54.75 1wa7 n ASN 61 Cb 0.01 -0.82 -0.10 0.00 -2.36 0.00 0.00 39.78 36.51 1wa7 n ASN 61 CO 0.00 0.00 0.00 1.88 -1.03 0.00 0.00 177.26 178.11 1wa7 h TYR 62 N -1.00 -1.26 -4.36 -2.53 0.05 -1.88 -3.44 116.97 102.56 1wa7 h TYR 62 Ca -0.49 -0.01 -0.51 0.00 0.05 0.00 0.00 58.73 57.77 1wa7 h TYR 62 Cb 1.41 0.46 0.06 0.00 1.01 0.00 0.00 36.73 39.67 1wa7 h TYR 62 CO -0.14 -0.68 0.42 0.14 -1.05 0.00 0.00 178.16 176.84 1wa7 s VAL 63 N -5.94 4.68 0.11 -2.88 -7.23 -1.24 -1.82 120.40 106.07 1wa7 s VAL 63 Ca -0.18 0.88 0.03 0.00 -1.81 0.00 0.00 61.98 60.89 1wa7 s VAL 63 Cb 0.04 -3.85 -0.04 0.00 0.56 0.00 0.00 36.38 33.09 1wa7 s VAL 63 CO 0.61 -1.13 -0.09 0.00 -0.31 0.00 0.00 175.10 174.18 1wa7 s ALA 64 N -3.16 1.11 0.54 1.32 0.00 0.58 -4.81 121.76 117.33 1wa7 s ALA 64 Ca 0.55 -1.29 -0.18 0.00 0.00 0.00 0.00 51.96 51.04 1wa7 s ALA 64 Cb -0.11 0.08 -0.06 0.00 0.00 0.00 0.00 23.12 23.03 1wa7 s ALA 64 CO 0.54 -0.12 1.05 -1.59 0.00 0.00 0.00 175.76 175.64 1wa7 s LYS 65 N -3.33 3.55 0.00 0.00 0.00 -1.26 -0.41 119.74 118.29 1wa7 s LYS 65 Ca 0.09 1.30 0.00 0.00 0.00 0.00 0.00 55.97 57.37 1wa7 s LYS 65 Cb 0.01 -2.06 0.00 0.00 0.00 0.00 0.00 37.83 35.78 1wa7 s LYS 65 CO -0.02 -0.63 0.00 -0.11 0.00 0.00 0.00 175.35 174.59 1wa7 n LEU 66 N -1.48 0.00 -4.30 2.77 7.94 -1.23 -4.76 117.00 115.94 1wa7 n LEU 66 Ca 0.09 0.00 -0.37 0.00 -1.11 0.00 0.00 56.01 54.62 1wa7 n LEU 66 Cb 0.53 0.00 0.04 0.00 0.53 0.00 0.00 43.42 44.51 1wa7 n LEU 66 CO 0.43 0.00 -0.46 -0.46 -1.11 0.00 0.00 177.39 175.80 1wa7 n ASN 67 N -1.36 -2.99 0.00 1.96 6.94 -1.26 -5.12 115.26 113.43 1wa7 n ASN 67 Ca 0.00 0.56 0.00 0.00 -0.02 0.00 0.00 54.58 55.12 1wa7 n ASN 67 Cb 0.00 -0.99 0.00 0.00 -2.36 0.00 0.00 39.78 36.43 1wa7 n ASN 67 CO 0.00 0.00 0.00 0.35 -1.03 0.00 0.00 177.26 176.58