#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 -0.25 3.17 2.61 0.00 -1.26 -5.12 105.19 104.33 1wa7 n GLY 10 Ca 0.00 -0.73 -0.24 0.00 0.00 0.00 0.00 46.02 45.05 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 2.02 -0.14 1.61 1.01 -1.24 -5.01 116.67 114.92 1wa7 s ASP 11 Ca 0.00 -0.33 -0.07 0.00 0.71 0.00 0.00 52.55 52.86 1wa7 s ASP 11 Cb 0.00 -0.22 -0.04 0.00 1.01 0.00 0.00 42.92 43.67 1wa7 s ASP 11 CO 0.00 0.20 0.10 -0.63 0.21 0.00 0.00 175.17 175.05 1wa7 s ILE 12 N -0.46 5.16 0.15 0.77 -1.09 -1.26 -0.67 121.20 123.81 1wa7 s ILE 12 Ca 0.06 0.09 0.04 0.00 -2.23 0.00 0.00 60.65 58.61 1wa7 s ILE 12 Cb -0.07 -3.27 -0.04 0.00 -1.58 0.00 0.00 42.46 37.50 1wa7 s ILE 12 CO -0.00 0.56 -0.09 0.68 -1.23 0.00 0.00 174.94 174.86 1wa7 s VAL 13 N -0.50 1.09 -0.04 2.92 -7.23 -0.02 -4.10 120.40 112.52 1wa7 s VAL 13 Ca 0.11 -2.04 0.06 0.00 -1.81 0.00 0.00 61.98 58.30 1wa7 s VAL 13 Cb -0.12 -1.89 -0.01 0.00 0.56 0.00 0.00 36.38 34.92 1wa7 s VAL 13 CO 0.02 -0.71 -0.24 0.54 -0.31 0.00 0.00 175.10 174.40 1wa7 s VAL 14 N -3.38 1.92 0.21 1.32 0.11 0.85 -0.22 120.40 121.21 1wa7 s VAL 14 Ca 0.18 -1.01 -0.30 0.00 -2.93 0.00 0.00 61.98 57.91 1wa7 s VAL 14 Cb 0.03 -1.62 -0.09 0.00 -1.53 0.00 0.00 36.38 33.18 1wa7 s VAL 14 CO 0.01 0.54 1.27 0.00 -3.33 0.00 0.00 175.10 173.59 1wa7 s ALA 15 N -0.30 3.49 -0.15 1.54 0.00 0.38 0.57 121.76 127.30 1wa7 s ALA 15 Ca 0.01 1.07 0.18 0.00 0.00 0.00 0.00 51.96 53.22 1wa7 s ALA 15 Cb -0.12 -3.46 -0.25 0.00 0.00 0.00 0.00 23.12 19.30 1wa7 s ALA 15 CO 0.02 -0.48 0.27 1.28 0.00 0.00 0.00 175.76 176.85 1wa7 n LEU 16 N 2.40 0.20 -4.01 0.00 4.77 0.18 0.34 117.00 120.89 1wa7 n LEU 16 Ca 0.05 0.09 -0.08 0.00 -0.03 0.00 0.00 56.01 56.04 1wa7 n LEU 16 Cb 0.43 0.35 -0.10 0.00 -2.33 0.00 0.00 43.42 41.78 1wa7 n LEU 16 CO 0.57 0.39 -0.31 -0.31 -1.33 0.00 0.00 177.39 176.40 1wa7 s TYR 17 N -2.67 0.35 0.51 -1.77 2.02 -1.24 -4.26 117.35 110.28 1wa7 s TYR 17 Ca -0.08 -0.75 -0.23 0.00 -0.37 0.00 0.00 57.07 55.64 1wa7 s TYR 17 Cb 0.08 -0.25 -0.06 0.00 -0.40 0.00 0.00 41.96 41.32 1wa7 s TYR 17 CO 0.84 -0.33 1.34 -1.25 -1.57 0.00 0.00 175.55 174.58 1wa7 s PRO 18 N -2.87 3.38 0.00 -1.71 0.04 -1.26 -4.01 135.00 128.58 1wa7 s PRO 18 Ca -0.03 2.21 0.00 0.00 0.04 0.00 0.00 61.00 63.22 1wa7 s PRO 18 Cb 0.00 -2.39 0.00 0.00 0.04 0.00 0.00 34.50 32.15 1wa7 s PRO 18 CO -0.06 -0.99 0.33 0.98 0.04 0.00 0.00 177.00 177.30 1wa7 n TYR 19 N -0.71 0.00 0.00 0.56 9.36 0.26 -4.92 117.16 121.70 1wa7 n TYR 19 Ca 0.08 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.30 1wa7 n TYR 19 Cb 0.45 -0.18 0.00 0.00 -0.63 0.00 0.00 39.34 38.98 1wa7 n TYR 19 CO 0.00 0.00 0.00 -0.25 0.22 0.00 0.00 176.86 176.83 1wa7 n ASP 20 N -1.03 0.00 -4.43 2.98 9.92 -1.26 -5.00 116.55 117.73 1wa7 n ASP 20 Ca 0.00 0.00 -0.11 0.00 -0.53 0.00 0.00 54.79 54.15 1wa7 n ASP 20 Cb 0.00 0.00 -0.09 0.00 -0.64 0.00 0.00 41.12 40.39 1wa7 n ASP 20 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1wa7 n GLY 21 N 0.00 -0.31 0.98 0.44 0.00 -1.26 -4.52 105.19 100.52 1wa7 n GLY 21 Ca 0.00 0.10 0.12 0.00 0.00 0.00 0.00 46.02 46.24 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 7.68 0.09 -4.36 -0.61 2.08 -1.26 -4.90 119.36 118.08 1wa7 n ILE 22 Ca 0.35 -0.54 -0.25 0.00 0.56 0.00 0.00 62.75 62.87 1wa7 n ILE 22 Cb 0.44 1.36 -0.12 0.00 -0.75 0.00 0.00 39.64 40.57 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 -1.91 2.04 -0.51 1.39 3.76 -1.26 -5.02 115.29 113.79 1wa7 s HIS 23 Ca 0.30 -0.41 0.23 0.00 -0.15 0.00 0.00 55.06 55.04 1wa7 s HIS 23 Cb 0.21 -1.06 0.96 0.00 1.11 0.00 0.00 32.58 33.80 1wa7 s HIS 23 CO 0.30 0.35 1.70 -0.35 -0.85 0.00 0.00 174.74 175.90 1wa7 n PRO 24 N 0.61 0.19 -0.00 8.40 -0.04 -1.26 -3.21 135.00 139.69 1wa7 n PRO 24 Ca -0.16 0.41 0.03 0.00 -0.04 0.00 0.00 63.50 63.74 1wa7 n PRO 24 Cb 0.55 -1.86 -0.04 0.00 -0.04 0.00 0.00 33.50 32.11 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 -2.21 3.38 -4.70 3.54 9.92 -1.26 -5.02 116.55 120.19 1wa7 n ASP 25 Ca 0.02 -0.06 -0.43 0.00 -0.53 0.00 0.00 54.79 53.80 1wa7 n ASP 25 Cb 0.23 1.24 -0.01 0.00 -0.64 0.00 0.00 41.12 41.94 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 -1.65 2.79 -4.61 -2.24 8.00 -1.20 -4.21 116.55 113.44 1wa7 n ASP 26 Ca -0.01 1.20 -0.42 0.00 0.71 0.00 0.00 54.79 56.28 1wa7 n ASP 26 Cb 0.14 -1.48 -0.05 0.00 -0.02 0.00 0.00 41.12 39.71 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 -0.90 4.11 0.23 0.64 1.98 -1.24 -4.80 118.68 118.70 1wa7 s LEU 27 Ca 0.57 0.60 -0.30 0.00 -2.89 0.00 0.00 54.13 52.11 1wa7 s LEU 27 Cb -0.57 -2.99 -0.09 0.00 0.66 0.00 0.00 46.19 43.20 1wa7 s LEU 27 CO 0.61 -0.57 1.04 -0.44 -1.89 0.00 0.00 176.35 175.10 1wa7 s SER 28 N 1.62 7.41 0.04 3.68 0.01 -1.26 -4.81 113.70 120.38 1wa7 s SER 28 Ca 0.30 2.09 -0.05 0.00 1.31 0.00 0.00 55.95 59.60 1wa7 s SER 28 Cb -0.14 -2.61 -0.01 0.00 0.21 0.00 0.00 66.02 63.46 1wa7 s SER 28 CO 0.12 -0.05 0.08 0.72 0.41 0.00 0.00 173.24 174.52 1wa7 s PHE 29 N -0.88 0.22 0.43 2.43 -0.12 -1.26 -4.97 117.98 113.83 1wa7 s PHE 29 Ca 0.45 -0.53 0.07 0.00 -0.05 0.00 0.00 56.93 56.87 1wa7 s PHE 29 Cb -0.29 -0.16 -0.03 0.00 -0.63 0.00 0.00 43.02 41.92 1wa7 s PHE 29 CO 0.36 -0.36 0.27 0.15 -0.05 0.00 0.00 175.22 175.59 1wa7 s LYS 30 N -2.60 2.33 0.67 1.99 -0.14 -1.26 -0.58 119.74 120.16 1wa7 s LYS 30 Ca -0.05 -1.78 -0.17 0.00 -1.36 0.00 0.00 55.97 52.62 1wa7 s LYS 30 Cb -0.01 -2.12 0.01 0.00 -1.68 0.00 0.00 37.83 34.03 1wa7 s LYS 30 CO -0.05 -0.21 1.22 -1.59 -0.76 0.00 0.00 175.35 173.96 1wa7 s LYS 31 N -4.03 2.49 0.00 1.68 0.00 -1.26 -1.81 119.74 116.82 1wa7 s LYS 31 Ca 0.42 1.82 0.00 0.00 0.00 0.00 0.00 55.97 58.21 1wa7 s LYS 31 Cb 0.01 -1.87 0.00 0.00 0.00 0.00 0.00 37.83 35.97 1wa7 s LYS 31 CO 0.24 -1.58 0.00 0.41 0.00 0.00 0.00 175.35 174.41 1wa7 n GLY 32 N 0.48 1.01 3.77 0.59 0.00 1.06 -4.88 105.19 107.22 1wa7 n GLY 32 Ca 0.14 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.14 4.33 -0.07 1.61 2.56 -0.75 -4.69 118.70 121.55 1wa7 s GLU 33 Ca 0.00 1.67 -0.13 0.00 0.00 0.00 0.00 54.97 56.51 1wa7 s GLU 33 Cb 0.00 -2.81 -0.05 0.00 2.00 0.00 0.00 34.13 33.27 1wa7 s GLU 33 CO 0.00 -0.03 0.33 0.15 -0.56 0.00 0.00 175.26 175.15 1wa7 s LYS 34 N -2.06 3.92 0.05 4.30 3.01 -1.26 0.14 119.74 127.84 1wa7 s LYS 34 Ca 0.53 0.23 0.02 0.00 -1.01 0.00 0.00 55.97 55.74 1wa7 s LYS 34 Cb -0.27 -3.27 -0.03 0.00 -1.01 0.00 0.00 37.83 33.25 1wa7 s LYS 34 CO 0.34 0.57 -0.07 -1.64 0.51 0.00 0.00 175.35 175.06 1wa7 s MET 35 N -0.61 0.58 -0.18 1.68 -1.94 0.69 -3.74 119.30 115.78 1wa7 s MET 35 Ca 0.20 -0.86 -0.04 0.00 -1.71 0.00 0.00 55.69 53.29 1wa7 s MET 35 Cb -0.15 -0.26 -0.02 0.00 2.01 0.00 0.00 34.83 36.41 1wa7 s MET 35 CO 0.09 0.03 -0.04 0.21 -0.01 0.00 0.00 175.02 175.31 1wa7 s LYS 36 N -2.00 3.58 0.15 2.03 2.20 -0.83 -0.84 119.74 124.02 1wa7 s LYS 36 Ca -0.06 -0.55 -0.27 0.00 -0.36 0.00 0.00 55.97 54.72 1wa7 s LYS 36 Cb -0.07 -2.95 -0.07 0.00 -1.51 0.00 0.00 37.83 33.23 1wa7 s LYS 36 CO -0.01 0.10 0.84 0.08 -0.36 0.00 0.00 175.35 176.00 1wa7 s VAL 37 N 0.73 4.38 -0.08 4.02 1.01 0.16 0.71 120.40 131.33 1wa7 s VAL 37 Ca -0.02 1.83 0.06 0.00 0.00 0.00 0.00 61.98 63.86 1wa7 s VAL 37 Cb -0.14 -4.21 -0.09 0.00 0.00 0.00 0.00 36.38 31.94 1wa7 s VAL 37 CO 0.02 0.46 0.01 0.18 0.00 0.00 0.00 175.10 175.78 1wa7 n LEU 38 N 1.95 0.30 -3.17 3.92 4.32 -0.86 -3.63 117.00 119.83 1wa7 n LEU 38 Ca -0.03 -0.01 0.03 0.00 -0.02 0.00 0.00 56.01 55.98 1wa7 n LEU 38 Cb 0.49 0.13 -0.00 0.00 -1.62 0.00 0.00 43.42 42.42 1wa7 n LEU 38 CO 0.48 0.23 0.10 -1.61 -1.22 0.00 0.00 177.39 175.37 1wa7 s GLU 39 N -2.18 0.66 0.11 3.23 0.41 -1.25 -4.75 118.70 114.93 1wa7 s GLU 39 Ca -0.05 0.23 -0.36 0.00 -0.41 0.00 0.00 54.97 54.39 1wa7 s GLU 39 Cb 0.02 0.19 -0.16 0.00 -1.78 0.00 0.00 34.13 32.41 1wa7 s GLU 39 CO 0.30 -1.10 1.38 -1.91 -0.49 0.00 0.00 175.26 173.43 1wa7 n GLU 40 N 5.03 1.39 -3.83 1.61 0.00 -1.26 -3.72 120.64 119.86 1wa7 n GLU 40 Ca 0.07 0.50 -0.30 0.00 0.00 0.00 0.00 57.16 57.43 1wa7 n GLU 40 Cb 0.55 -2.16 -0.15 0.00 0.00 0.00 0.00 31.44 29.68 1wa7 n GLU 40 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.13 176.12 1wa7 s HIS 41 N 0.50 2.23 0.00 4.31 3.76 -1.20 -4.94 115.29 119.95 1wa7 s HIS 41 Ca 0.82 -1.97 0.00 0.00 -0.15 0.00 0.00 55.06 53.76 1wa7 s HIS 41 Cb -0.88 -1.93 0.00 0.00 1.11 0.00 0.00 32.58 30.89 1wa7 s HIS 41 CO 0.45 -0.86 0.00 0.41 -0.85 0.00 0.00 174.74 173.89 1wa7 n GLY 42 N 4.70 1.21 0.05 -2.22 0.00 -1.26 0.10 105.19 107.77 1wa7 n GLY 42 Ca -0.03 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 45.63 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 10.68 0.86 -3.60 1.61 1.02 -1.26 -4.48 120.64 125.46 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 -1.04 -0.15 0.00 -0.02 0.00 0.00 31.44 30.22 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 -1.90 0.76 0.15 -0.32 0.52 0.29 -1.48 118.94 116.96 1wa7 s TRP 44 Ca 0.00 -1.14 -0.06 0.00 0.02 0.00 0.00 56.10 54.92 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 -0.84 0.41 -1.58 0.02 0.00 0.00 176.95 174.97 1wa7 s TRP 45 N 1.95 3.48 -0.41 -1.98 0.51 0.17 -3.25 118.94 119.41 1wa7 s TRP 45 Ca 0.09 0.65 -0.18 0.00 -2.12 0.00 0.00 56.10 54.54 1wa7 s TRP 45 Cb -0.16 -2.08 0.02 0.00 -0.81 0.00 0.00 33.47 30.44 1wa7 s TRP 45 CO -0.32 0.42 0.48 0.21 -0.51 0.00 0.00 176.95 177.22 1wa7 s LYS 46 N -2.58 3.22 0.30 4.98 2.20 -1.24 0.34 119.74 126.97 1wa7 s LYS 46 Ca 0.41 -0.60 0.03 0.00 -0.36 0.00 0.00 55.97 55.46 1wa7 s LYS 46 Cb -0.12 -3.93 0.03 0.00 -1.51 0.00 0.00 37.83 32.30 1wa7 s LYS 46 CO 0.23 -0.83 0.28 0.00 -0.36 0.00 0.00 175.35 174.66 1wa7 n ALA 47 N 5.72 0.52 -3.29 3.13 0.00 -0.52 -2.04 120.51 124.03 1wa7 n ALA 47 Ca -0.06 -1.19 -0.28 0.00 0.00 0.00 0.00 53.44 51.91 1wa7 n ALA 47 Cb 0.48 0.45 -0.17 0.00 0.00 0.00 0.00 19.45 20.21 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 -3.28 2.20 -0.00 0.00 2.20 0.22 -2.20 119.74 118.88 1wa7 s LYS 48 Ca 0.21 -0.61 -0.30 0.00 -0.36 0.00 0.00 55.97 54.91 1wa7 s LYS 48 Cb -0.02 -1.75 -0.04 0.00 -1.51 0.00 0.00 37.83 34.51 1wa7 s LYS 48 CO 0.13 0.11 1.13 0.45 -0.36 0.00 0.00 175.35 176.82 1wa7 s SER 49 N 0.46 7.15 0.00 1.43 0.15 0.76 -1.97 113.70 121.68 1wa7 s SER 49 Ca -0.15 1.84 0.22 0.00 0.70 0.00 0.00 55.95 58.56 1wa7 s SER 49 Cb -0.16 -2.57 1.09 0.00 -1.71 0.00 0.00 66.02 62.67 1wa7 s SER 49 CO 0.05 -0.45 1.70 -0.11 1.20 0.00 0.00 173.24 175.63 1wa7 n LEU 50 N 4.39 0.00 0.14 3.45 7.94 -1.25 -1.68 117.00 130.00 1wa7 n LEU 50 Ca 0.09 0.31 -0.13 0.00 -1.11 0.00 0.00 56.01 55.16 1wa7 n LEU 50 Cb 0.48 -0.31 -0.06 0.00 0.53 0.00 0.00 43.42 44.06 1wa7 n LEU 50 CO 0.54 -0.08 0.69 0.25 -1.11 0.00 0.00 177.39 177.67 1wa7 h LEU 51 N 0.00 -0.75 -1.95 -1.96 5.85 -1.89 -3.40 115.31 111.21 1wa7 h LEU 51 Ca 0.00 0.08 -0.12 0.00 0.84 0.00 0.00 57.88 58.68 1wa7 h LEU 51 Cb 0.22 0.27 -0.12 0.00 0.37 0.00 0.00 40.66 41.40 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 -5.39 0.00 -1.73 1.05 5.66 -1.23 -5.00 114.28 107.64 1wa7 n THR 52 Ca -0.07 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.93 1wa7 n THR 52 Cb 0.29 0.47 0.00 0.00 -1.55 0.00 0.00 70.33 69.55 1wa7 n THR 52 CO 0.00 0.00 0.00 1.17 -3.05 0.00 0.00 175.07 173.19 1wa7 n LYS 53 N 0.00 0.00 -3.06 1.09 4.81 -0.67 -5.05 118.16 115.28 1wa7 n LYS 53 Ca -0.27 0.00 -0.40 0.00 -0.87 0.00 0.00 58.31 56.78 1wa7 n LYS 53 Cb 0.68 -1.84 -0.05 0.00 0.02 0.00 0.00 35.03 33.84 1wa7 n LYS 53 CO 0.00 0.00 0.00 0.15 1.17 0.00 0.00 177.40 178.72 1wa7 s LYS 54 N -3.39 4.43 -0.17 1.64 -0.14 -1.08 -4.79 119.74 116.24 1wa7 s LYS 54 Ca 0.00 0.91 0.01 0.00 -1.36 0.00 0.00 55.97 55.53 1wa7 s LYS 54 Cb 0.00 -3.40 0.03 0.00 -1.68 0.00 0.00 37.83 32.78 1wa7 s LYS 54 CO 0.00 0.20 -0.16 -1.83 -0.76 0.00 0.00 175.35 172.80 1wa7 s GLU 55 N 0.32 2.52 0.22 1.68 -1.05 -1.26 0.27 118.70 121.39 1wa7 s GLU 55 Ca 0.37 -0.73 -0.17 0.00 -0.15 0.00 0.00 54.97 54.29 1wa7 s GLU 55 Cb -0.19 -2.35 0.02 0.00 -0.44 0.00 0.00 34.13 31.17 1wa7 s GLU 55 CO 0.20 -0.26 0.55 0.20 0.95 0.00 0.00 175.26 176.89 1wa7 s GLY 56 N 1.39 0.03 0.19 -3.83 0.00 -0.94 -4.61 107.32 99.55 1wa7 s GLY 56 Ca 0.04 -0.36 -0.30 0.00 0.00 0.00 0.00 44.72 44.09 1wa7 s GLY 56 CO -0.11 -0.31 1.23 -1.36 0.00 0.00 0.00 173.10 172.55 1wa7 s PHE 57 N -3.91 3.38 0.04 1.90 0.40 -1.26 -1.43 117.98 117.10 1wa7 s PHE 57 Ca 0.12 1.37 0.07 0.00 -0.60 0.00 0.00 56.93 57.90 1wa7 s PHE 57 Cb -0.02 -3.48 -0.03 0.00 0.51 0.00 0.00 43.02 40.01 1wa7 s PHE 57 CO 0.01 -1.38 -0.21 0.96 0.70 0.00 0.00 175.22 175.30 1wa7 s ILE 58 N -0.03 1.67 0.85 0.64 -4.36 1.05 -3.62 121.20 117.41 1wa7 s ILE 58 Ca 0.54 -1.20 -0.11 0.00 -0.26 0.00 0.00 60.65 59.61 1wa7 s ILE 58 Cb -0.34 -1.46 0.10 0.00 1.25 0.00 0.00 42.46 42.02 1wa7 s ILE 58 CO 0.37 0.21 1.09 -2.16 0.24 0.00 0.00 174.94 174.69 1wa7 s PRO 59 N -1.18 1.66 0.00 0.37 0.04 -1.26 0.44 135.00 135.07 1wa7 s PRO 59 Ca 0.07 1.00 0.15 0.00 0.04 0.00 0.00 61.00 62.27 1wa7 s PRO 59 Cb -0.09 -1.84 0.45 0.00 0.04 0.00 0.00 34.50 33.06 1wa7 s PRO 59 CO 0.02 -2.01 1.36 -1.13 0.04 0.00 0.00 177.00 175.28 1wa7 n SER 60 N -3.75 2.36 -0.05 6.66 3.41 -0.55 -4.36 113.62 117.35 1wa7 n SER 60 Ca 0.08 -1.96 -0.10 0.00 -0.26 0.00 0.00 58.87 56.63 1wa7 n SER 60 Cb 0.54 -0.27 -0.03 0.00 -0.26 0.00 0.00 64.21 64.18 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 0.79 0.89 -0.15 4.04 0.23 -1.26 -4.76 115.26 115.03 1wa7 n ASN 61 Ca 0.15 0.15 -0.10 0.00 -0.53 0.00 0.00 54.58 54.25 1wa7 n ASN 61 Cb 0.38 -0.35 -0.08 0.00 -2.08 0.00 0.00 39.78 37.65 1wa7 n ASN 61 CO 0.00 0.00 0.00 1.88 -0.93 0.00 0.00 177.26 178.21 1wa7 h TYR 62 N -0.40 -1.36 -4.26 -2.53 0.05 -1.90 -3.41 116.97 103.15 1wa7 h TYR 62 Ca -0.23 0.07 -0.49 0.00 0.05 0.00 0.00 58.73 58.13 1wa7 h TYR 62 Cb 1.10 0.65 0.04 0.00 1.01 0.00 0.00 36.73 39.53 1wa7 h TYR 62 CO -0.06 -0.36 0.39 0.14 -1.05 0.00 0.00 178.16 177.22 1wa7 s VAL 63 N -5.03 4.56 0.14 -2.88 -7.23 -1.26 -0.65 120.40 108.05 1wa7 s VAL 63 Ca -0.11 1.06 0.03 0.00 -1.81 0.00 0.00 61.98 61.16 1wa7 s VAL 63 Cb 0.07 -3.75 -0.04 0.00 0.56 0.00 0.00 36.38 33.21 1wa7 s VAL 63 CO 0.48 -0.86 -0.07 0.00 -0.31 0.00 0.00 175.10 174.34 1wa7 s ALA 64 N -2.84 1.33 0.50 1.32 0.00 0.19 -4.80 121.76 117.45 1wa7 s ALA 64 Ca 0.58 -1.49 -0.19 0.00 0.00 0.00 0.00 51.96 50.85 1wa7 s ALA 64 Cb -0.11 0.20 -0.08 0.00 0.00 0.00 0.00 23.12 23.13 1wa7 s ALA 64 CO 0.41 -0.19 1.02 0.21 0.00 0.00 0.00 175.76 177.21 1wa7 s LYS 65 N -3.81 3.80 0.00 0.00 2.20 -1.26 -0.11 119.74 120.56 1wa7 s LYS 65 Ca 0.17 1.27 0.00 0.00 -0.36 0.00 0.00 55.97 57.06 1wa7 s LYS 65 Cb 0.04 -2.10 0.00 0.00 -1.51 0.00 0.00 37.83 34.26 1wa7 s LYS 65 CO 0.00 -0.42 0.00 -0.11 -0.36 0.00 0.00 175.35 174.47 1wa7 n LEU 66 N -1.11 1.13 -4.50 5.43 0.00 -1.26 -4.79 117.00 111.89 1wa7 n LEU 66 Ca 0.09 0.00 -0.40 0.00 0.00 0.00 0.00 56.01 55.70 1wa7 n LEU 66 Cb 0.53 0.00 0.02 0.00 0.00 0.00 0.00 43.42 43.97 1wa7 n LEU 66 CO 0.41 0.00 0.21 -3.20 0.00 0.00 0.00 177.39 174.81 1wa7 n ASN 67 N -0.93 -0.37 -0.82 1.96 2.85 -1.26 -5.13 115.26 111.56 1wa7 n ASN 67 Ca 0.00 0.87 0.13 0.00 -0.11 0.00 0.00 54.58 55.46 1wa7 n ASN 67 Cb 0.00 -1.20 0.22 0.00 1.24 0.00 0.00 39.78 40.04 1wa7 n ASN 67 CO 0.00 0.00 0.00 0.35 -2.11 0.00 0.00 177.26 175.50