#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 -0.61 3.16 1.08 0.00 -1.26 -4.78 105.19 102.78 1wa7 n GLY 10 Ca 0.00 0.26 -0.12 0.00 0.00 0.00 0.00 46.02 46.16 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 -4.00 1.21 -0.10 1.61 1.01 -1.24 -5.03 116.67 110.12 1wa7 s ASP 11 Ca 0.00 -0.91 -0.01 0.00 0.71 0.00 0.00 52.55 52.34 1wa7 s ASP 11 Cb 0.00 0.06 -0.03 0.00 1.01 0.00 0.00 42.92 43.96 1wa7 s ASP 11 CO 0.00 -0.38 -0.05 -0.51 0.21 0.00 0.00 175.17 174.44 1wa7 s ILE 12 N -3.06 3.83 0.15 0.77 1.10 -1.26 -1.67 121.20 121.05 1wa7 s ILE 12 Ca 0.08 -0.41 0.04 0.00 -0.51 0.00 0.00 60.65 59.85 1wa7 s ILE 12 Cb 0.01 -2.61 -0.04 0.00 0.15 0.00 0.00 42.46 39.97 1wa7 s ILE 12 CO -0.03 0.57 -0.10 0.68 -2.11 0.00 0.00 174.94 173.95 1wa7 s VAL 13 N -0.43 1.14 -0.03 4.00 -7.23 -0.80 -3.83 120.40 113.22 1wa7 s VAL 13 Ca 0.07 -2.06 0.07 0.00 -1.81 0.00 0.00 61.98 58.25 1wa7 s VAL 13 Cb -0.12 -1.86 -0.02 0.00 0.56 0.00 0.00 36.38 34.94 1wa7 s VAL 13 CO 0.02 -0.74 -0.25 -0.69 -0.31 0.00 0.00 175.10 173.13 1wa7 s VAL 14 N -3.34 2.11 0.16 1.32 1.01 0.14 -0.80 120.40 121.00 1wa7 s VAL 14 Ca 0.17 -1.07 -0.30 0.00 0.00 0.00 0.00 61.98 60.77 1wa7 s VAL 14 Cb 0.03 -1.74 -0.08 0.00 0.00 0.00 0.00 36.38 34.59 1wa7 s VAL 14 CO 0.01 0.58 1.23 0.00 0.00 0.00 0.00 175.10 176.92 1wa7 s ALA 15 N -0.49 3.46 -1.34 5.51 0.00 0.39 0.12 121.76 129.41 1wa7 s ALA 15 Ca 0.06 0.97 0.22 0.00 0.00 0.00 0.00 51.96 53.21 1wa7 s ALA 15 Cb -0.11 -3.44 -0.14 0.00 0.00 0.00 0.00 23.12 19.43 1wa7 s ALA 15 CO 0.00 -0.43 0.97 1.28 0.00 0.00 0.00 175.76 177.58 1wa7 n LEU 16 N 2.89 1.32 -3.52 0.00 4.77 0.22 0.31 117.00 122.99 1wa7 n LEU 16 Ca 0.06 -0.57 -0.15 0.00 -0.03 0.00 0.00 56.01 55.32 1wa7 n LEU 16 Cb 0.44 -0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.48 1wa7 n LEU 16 CO 0.56 0.29 0.52 -0.31 -1.33 0.00 0.00 177.39 177.12 1wa7 s TYR 17 N -2.83 -0.56 0.60 -1.77 2.02 -1.25 -4.62 117.35 108.94 1wa7 s TYR 17 Ca 0.11 0.86 -0.19 0.00 -0.37 0.00 0.00 57.07 57.49 1wa7 s TYR 17 Cb 0.17 0.45 -0.03 0.00 -0.40 0.00 0.00 41.96 42.14 1wa7 s TYR 17 CO 0.77 -0.58 1.28 -1.25 -1.57 0.00 0.00 175.55 174.20 1wa7 s PRO 18 N -1.63 2.84 0.60 -1.71 0.04 -1.25 -3.96 135.00 129.92 1wa7 s PRO 18 Ca -0.06 2.02 0.08 0.00 0.04 0.00 0.00 61.00 63.07 1wa7 s PRO 18 Cb -0.00 -1.97 0.09 0.00 0.04 0.00 0.00 34.50 32.66 1wa7 s PRO 18 CO 0.04 -1.36 0.82 -0.47 0.04 0.00 0.00 177.00 176.07 1wa7 s TYR 19 N -1.44 1.47 -0.93 0.56 5.04 0.11 -4.91 117.35 117.24 1wa7 s TYR 19 Ca 0.78 -0.64 -0.03 0.00 -2.44 0.00 0.00 57.07 54.74 1wa7 s TYR 19 Cb -0.36 -2.35 0.23 0.00 0.35 0.00 0.00 41.96 39.84 1wa7 s TYR 19 CO 0.39 -1.23 0.84 -0.25 -1.34 0.00 0.00 175.55 173.95 1wa7 n ASP 20 N -2.33 4.39 -4.55 4.32 8.00 -1.26 -4.73 116.55 120.39 1wa7 n ASP 20 Ca 0.15 -3.12 -0.24 0.00 0.71 0.00 0.00 54.79 52.29 1wa7 n ASP 20 Cb 0.61 -1.09 -0.07 0.00 -0.02 0.00 0.00 41.12 40.55 1wa7 n ASP 20 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1wa7 n GLY 21 N 2.33 -0.07 0.19 0.44 0.00 -1.26 -4.59 105.19 102.23 1wa7 n GLY 21 Ca 0.22 0.47 -0.14 0.00 0.00 0.00 0.00 46.02 46.58 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 8.20 0.96 -2.34 -0.61 5.41 -1.26 -4.98 119.36 124.74 1wa7 n ILE 22 Ca 0.46 -0.33 -0.33 0.00 1.00 0.00 0.00 62.75 63.54 1wa7 n ILE 22 Cb 0.43 -1.28 -0.02 0.00 -0.71 0.00 0.00 39.64 38.06 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 -2.33 3.11 -0.82 1.39 3.76 -1.26 -4.91 115.29 114.23 1wa7 s HIS 23 Ca -0.23 1.53 0.14 0.00 -0.15 0.00 0.00 55.06 56.35 1wa7 s HIS 23 Cb 0.07 -2.97 0.60 0.00 1.11 0.00 0.00 32.58 31.39 1wa7 s HIS 23 CO 0.36 -0.80 1.43 -0.35 -0.85 0.00 0.00 174.74 174.53 1wa7 n PRO 24 N -1.47 0.05 -0.00 8.40 -0.04 -1.26 -2.34 135.00 138.34 1wa7 n PRO 24 Ca 0.08 0.38 0.04 0.00 -0.04 0.00 0.00 63.50 63.97 1wa7 n PRO 24 Cb 0.53 -1.62 -0.06 0.00 -0.04 0.00 0.00 33.50 32.31 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 -1.73 1.60 -4.73 3.54 -0.08 -1.26 -5.01 116.55 108.89 1wa7 n ASP 25 Ca 0.02 -0.37 -0.41 0.00 -1.51 0.00 0.00 54.79 52.52 1wa7 n ASP 25 Cb 0.13 1.19 0.01 0.00 2.34 0.00 0.00 41.12 44.79 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 -1.49 2.97 -4.62 1.67 8.00 -0.99 -3.40 116.55 118.69 1wa7 n ASP 26 Ca 0.00 1.13 -0.38 0.00 0.71 0.00 0.00 54.79 56.26 1wa7 n ASP 26 Cb 0.18 -1.55 -0.10 0.00 -0.02 0.00 0.00 41.12 39.63 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 -2.03 4.07 0.25 0.64 1.98 -1.22 -4.69 118.68 117.67 1wa7 s LEU 27 Ca 0.60 0.14 -0.30 0.00 -2.89 0.00 0.00 54.13 51.68 1wa7 s LEU 27 Cb -0.49 -2.22 -0.09 0.00 0.66 0.00 0.00 46.19 44.05 1wa7 s LEU 27 CO 0.59 -0.04 1.00 -0.44 -1.89 0.00 0.00 176.35 175.56 1wa7 s SER 28 N 1.43 7.51 0.05 3.68 0.01 -1.26 -4.79 113.70 120.34 1wa7 s SER 28 Ca 0.10 2.05 -0.07 0.00 1.31 0.00 0.00 55.95 59.34 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 0.08 0.05 0.14 0.72 0.41 0.00 0.00 173.24 174.64 1wa7 s PHE 29 N -1.12 0.17 0.48 2.43 -0.12 -1.26 -4.95 117.98 113.60 1wa7 s PHE 29 Ca 0.42 -0.50 0.06 0.00 -0.05 0.00 0.00 56.93 56.86 1wa7 s PHE 29 Cb -0.28 -0.10 -0.00 0.00 -0.63 0.00 0.00 43.02 42.00 1wa7 s PHE 29 CO 0.35 -0.44 0.30 0.21 -0.05 0.00 0.00 175.22 175.60 1wa7 s LYS 30 N -3.06 2.30 0.61 1.99 2.20 -1.26 0.07 119.74 122.59 1wa7 s LYS 30 Ca -0.01 -1.90 -0.17 0.00 -0.36 0.00 0.00 55.97 53.53 1wa7 s LYS 30 Cb 0.01 -2.08 -0.02 0.00 -1.51 0.00 0.00 37.83 34.23 1wa7 s LYS 30 CO -0.07 -0.37 1.16 -1.59 -0.36 0.00 0.00 175.35 174.13 1wa7 s LYS 31 N -4.11 2.93 0.00 4.03 0.00 -1.25 -2.19 119.74 119.14 1wa7 s LYS 31 Ca 0.37 1.64 0.00 0.00 0.00 0.00 0.00 55.97 57.98 1wa7 s LYS 31 Cb -0.00 -1.94 0.00 0.00 0.00 0.00 0.00 37.83 35.88 1wa7 s LYS 31 CO 0.22 -1.20 0.00 0.41 0.00 0.00 0.00 175.35 174.78 1wa7 n GLY 32 N 0.13 1.26 3.77 0.59 0.00 0.92 -4.86 105.19 106.99 1wa7 n GLY 32 Ca 0.12 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.12 4.49 -0.06 1.61 2.12 -0.93 -4.69 118.70 121.12 1wa7 s GLU 33 Ca 0.00 1.70 -0.12 0.00 0.36 0.00 0.00 54.97 56.91 1wa7 s GLU 33 Cb 0.00 -2.99 -0.05 0.00 0.26 0.00 0.00 34.13 31.35 1wa7 s GLU 33 CO 0.00 0.11 0.31 0.15 -0.54 0.00 0.00 175.26 175.29 1wa7 s LYS 34 N -1.77 3.81 0.06 4.30 3.01 -1.26 0.15 119.74 128.03 1wa7 s LYS 34 Ca 0.49 0.19 0.04 0.00 -1.01 0.00 0.00 55.97 55.68 1wa7 s LYS 34 Cb -0.29 -3.24 -0.03 0.00 -1.01 0.00 0.00 37.83 33.27 1wa7 s LYS 34 CO 0.36 0.66 -0.11 -1.64 0.51 0.00 0.00 175.35 175.13 1wa7 s MET 35 N -0.85 0.68 -0.26 1.68 -1.94 0.02 -3.17 119.30 115.47 1wa7 s MET 35 Ca 0.20 -0.84 -0.08 0.00 -1.71 0.00 0.00 55.69 53.26 1wa7 s MET 35 Cb -0.15 -0.58 -0.03 0.00 2.01 0.00 0.00 34.83 36.08 1wa7 s MET 35 CO 0.09 0.12 0.10 0.15 -0.01 0.00 0.00 175.02 175.47 1wa7 s LYS 36 N -1.61 3.70 -0.47 2.03 1.02 -0.99 -1.90 119.74 121.52 1wa7 s LYS 36 Ca -0.05 -0.46 -0.29 0.00 0.02 0.00 0.00 55.97 55.19 1wa7 s LYS 36 Cb -0.10 -3.41 0.02 0.00 -0.52 0.00 0.00 37.83 33.83 1wa7 s LYS 36 CO 0.01 -0.20 1.25 0.08 -0.92 0.00 0.00 175.35 175.58 1wa7 s VAL 37 N 1.65 4.06 -0.09 3.17 1.01 -0.67 0.17 120.40 129.69 1wa7 s VAL 37 Ca 0.06 1.06 -0.09 0.00 0.00 0.00 0.00 61.98 63.01 1wa7 s VAL 37 Cb -0.15 -4.47 -0.28 0.00 0.00 0.00 0.00 36.38 31.48 1wa7 s VAL 37 CO 0.05 -0.96 0.49 -0.07 0.00 0.00 0.00 175.10 174.61 1wa7 h LEU 38 N 11.74 0.50 -6.96 3.92 3.38 -1.29 -3.30 115.31 123.29 1wa7 h LEU 38 Ca -0.25 -0.94 -0.57 0.00 0.09 0.00 0.00 57.88 56.21 1wa7 h LEU 38 Cb 1.08 -0.16 -0.40 0.00 0.09 0.00 0.00 40.66 41.27 1wa7 h LEU 38 CO 1.12 1.82 -0.77 -1.61 0.09 0.00 0.00 178.44 179.09 1wa7 s GLU 39 N -2.56 0.61 -0.39 1.13 2.02 -1.13 -4.87 118.70 113.50 1wa7 s GLU 39 Ca -0.20 -1.07 -0.29 0.00 0.02 0.00 0.00 54.97 53.44 1wa7 s GLU 39 Cb 0.06 -1.70 0.02 0.00 0.10 0.00 0.00 34.13 32.61 1wa7 s GLU 39 CO 0.80 -1.05 1.11 -2.00 0.02 0.00 0.00 175.26 174.15 1wa7 s GLU 40 N 1.53 3.91 0.00 1.61 2.12 -1.26 -2.35 118.70 124.26 1wa7 s GLU 40 Ca 0.12 0.86 0.00 0.00 0.36 0.00 0.00 54.97 56.30 1wa7 s GLU 40 Cb -0.19 -3.81 0.00 0.00 0.26 0.00 0.00 34.13 30.39 1wa7 s GLU 40 CO -0.22 -1.12 0.00 0.72 -0.54 0.00 0.00 175.26 174.10 1wa7 n HIS 41 N 7.32 0.00 0.00 5.30 8.25 -1.26 -5.01 115.22 129.82 1wa7 n HIS 41 Ca 0.12 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.58 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 5.00 0.76 0.02 -1.41 0.00 -1.26 -4.77 105.19 103.53 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 0.92 -3.50 1.61 1.02 -1.26 -4.48 120.64 114.94 1wa7 n GLU 43 Ca 0.00 0.00 -0.27 0.00 -0.02 0.00 0.00 57.16 56.87 1wa7 n GLU 43 Cb 0.00 -1.02 -0.14 0.00 -0.02 0.00 0.00 31.44 30.27 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 -1.97 0.27 0.10 -0.32 0.52 -1.26 -1.81 118.94 114.47 1wa7 s TRP 44 Ca 0.00 -0.91 -0.11 0.00 0.02 0.00 0.00 56.10 55.10 1wa7 s TRP 44 Cb 0.00 -0.83 -0.06 0.00 -1.15 0.00 0.00 33.47 31.43 1wa7 s TRP 44 CO 0.00 -0.85 0.45 -1.58 0.02 0.00 0.00 176.95 174.99 1wa7 s TRP 45 N 1.95 3.58 -0.50 -1.98 0.51 0.11 -4.26 118.94 118.35 1wa7 s TRP 45 Ca 0.11 0.87 -0.25 0.00 -2.12 0.00 0.00 56.10 54.71 1wa7 s TRP 45 Cb -0.17 -2.22 0.03 0.00 -0.81 0.00 0.00 33.47 30.30 1wa7 s TRP 45 CO -0.29 0.49 0.93 0.21 -0.51 0.00 0.00 176.95 177.77 1wa7 s LYS 46 N -1.95 3.43 0.43 4.98 2.20 -0.99 0.27 119.74 128.11 1wa7 s LYS 46 Ca 0.35 -0.05 0.07 0.00 -0.36 0.00 0.00 55.97 55.98 1wa7 s LYS 46 Cb -0.14 -3.99 0.07 0.00 -1.51 0.00 0.00 37.83 32.26 1wa7 s LYS 46 CO 0.18 -1.34 0.58 0.00 -0.36 0.00 0.00 175.35 174.41 1wa7 n ALA 47 N 7.30 0.90 -3.97 3.13 0.00 -0.03 -0.85 120.51 126.97 1wa7 n ALA 47 Ca 0.04 -1.56 -0.31 0.00 0.00 0.00 0.00 53.44 51.61 1wa7 n ALA 47 Cb 0.48 0.44 -0.15 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 -3.93 1.75 0.10 0.00 2.20 0.45 -2.18 119.74 118.14 1wa7 s LYS 48 Ca 0.44 -1.15 -0.34 0.00 -0.36 0.00 0.00 55.97 54.56 1wa7 s LYS 48 Cb -0.03 -2.69 -0.14 0.00 -1.51 0.00 0.00 37.83 33.46 1wa7 s LYS 48 CO 0.28 -0.63 1.63 0.45 -0.36 0.00 0.00 175.35 176.72 1wa7 n SER 49 N 4.58 3.07 0.03 1.43 2.88 1.18 -2.35 113.62 124.45 1wa7 n SER 49 Ca -0.11 1.06 0.12 0.00 -1.33 0.00 0.00 58.87 58.61 1wa7 n SER 49 Cb 0.43 -1.40 0.49 0.00 -0.75 0.00 0.00 64.21 62.99 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 4.05 0.24 0.26 2.46 0.00 -1.19 -1.52 117.00 121.30 1wa7 n LEU 50 Ca 0.18 0.53 0.10 0.00 0.00 0.00 0.00 56.01 56.83 1wa7 n LEU 50 Cb 0.28 -0.47 0.41 0.00 0.00 0.00 0.00 43.42 43.64 1wa7 n LEU 50 CO 0.65 -0.15 1.09 0.25 0.00 0.00 0.00 177.39 179.23 1wa7 h LEU 51 N 0.00 0.00 0.00 -1.96 5.85 -1.87 -3.38 115.31 113.95 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 0.48 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.51 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 -1.21 -5.00 114.28 111.98 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 -3.03 1.09 -0.00 -0.57 -5.08 118.16 110.56 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 4.46 -0.22 -1.58 3.01 -0.85 -4.79 119.74 119.77 1wa7 s LYS 54 Ca 0.00 0.99 0.02 0.00 -1.01 0.00 0.00 55.97 55.96 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 0.29 -0.13 -1.83 0.51 0.00 0.00 175.35 174.19 1wa7 s GLU 55 N -0.03 2.34 0.28 1.68 -1.05 -1.26 0.37 118.70 121.03 1wa7 s GLU 55 Ca 0.37 -1.03 -0.12 0.00 -0.15 0.00 0.00 54.97 54.04 1wa7 s GLU 55 Cb -0.20 -2.63 0.00 0.00 -0.44 0.00 0.00 34.13 30.86 1wa7 s GLU 55 CO 0.21 -0.43 0.53 0.20 0.95 0.00 0.00 175.26 176.72 1wa7 s GLY 56 N 1.26 0.65 0.11 -3.83 0.00 -0.92 -4.66 107.32 99.92 1wa7 s GLY 56 Ca -0.03 -0.95 -0.30 0.00 0.00 0.00 0.00 44.72 43.44 1wa7 s GLY 56 CO -0.08 -0.63 1.17 -1.36 0.00 0.00 0.00 173.10 172.20 1wa7 s PHE 57 N -3.66 3.48 -0.03 1.90 0.40 -1.22 -0.85 117.98 118.00 1wa7 s PHE 57 Ca 0.22 1.41 0.07 0.00 -0.60 0.00 0.00 56.93 58.03 1wa7 s PHE 57 Cb -0.01 -3.38 -0.01 0.00 0.51 0.00 0.00 43.02 40.12 1wa7 s PHE 57 CO 0.11 -1.06 -0.24 0.96 0.70 0.00 0.00 175.22 175.70 1wa7 s ILE 58 N 0.58 1.91 0.84 0.64 -4.36 0.77 -3.45 121.20 118.12 1wa7 s ILE 58 Ca 0.55 -1.01 -0.11 0.00 -0.26 0.00 0.00 60.65 59.82 1wa7 s ILE 58 Cb -0.30 -1.59 0.10 0.00 1.25 0.00 0.00 42.46 41.92 1wa7 s ILE 58 CO 0.32 0.54 1.09 -2.16 0.24 0.00 0.00 174.94 174.96 1wa7 s PRO 59 N -0.40 1.68 0.00 0.37 0.04 -1.26 0.08 135.00 135.50 1wa7 s PRO 59 Ca 0.04 0.95 0.15 0.00 0.04 0.00 0.00 61.00 62.19 1wa7 s PRO 59 Cb -0.11 -1.85 0.47 0.00 0.04 0.00 0.00 34.50 33.05 1wa7 s PRO 59 CO 0.01 -1.99 1.37 -1.13 0.04 0.00 0.00 177.00 175.30 1wa7 n SER 60 N -3.73 2.08 -0.05 6.66 3.41 -0.75 -4.28 113.62 116.95 1wa7 n SER 60 Ca 0.08 -1.92 -0.11 0.00 -0.26 0.00 0.00 58.87 56.66 1wa7 n SER 60 Cb 0.54 -0.22 -0.04 0.00 -0.26 0.00 0.00 64.21 64.23 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 0.62 1.33 -0.05 4.04 5.15 -1.26 -4.75 115.26 120.33 1wa7 n ASN 61 Ca 0.14 0.22 -0.09 0.00 -0.60 0.00 0.00 54.58 54.25 1wa7 n ASN 61 Cb 0.35 -0.51 -0.06 0.00 -0.53 0.00 0.00 39.78 39.03 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 -0.55 -1.08 -4.23 1.20 0.05 -1.93 -3.42 116.97 107.02 1wa7 h TYR 62 Ca -0.20 0.05 -0.48 0.00 0.05 0.00 0.00 58.73 58.14 1wa7 h TYR 62 Cb 0.96 0.49 0.04 0.00 1.01 0.00 0.00 36.73 39.23 1wa7 h TYR 62 CO -0.14 -0.34 0.38 0.14 -1.05 0.00 0.00 178.16 177.16 1wa7 s VAL 63 N -4.72 4.41 0.16 -2.88 -7.23 -1.26 -0.61 120.40 108.27 1wa7 s VAL 63 Ca -0.10 1.07 0.06 0.00 -1.81 0.00 0.00 61.98 61.20 1wa7 s VAL 63 Cb 0.05 -3.67 -0.04 0.00 0.56 0.00 0.00 36.38 33.28 1wa7 s VAL 63 CO 0.39 -0.75 -0.14 0.00 -0.31 0.00 0.00 175.10 174.30 1wa7 s ALA 64 N -2.72 1.71 0.58 1.32 0.00 0.33 -4.81 121.76 118.19 1wa7 s ALA 64 Ca 0.59 -1.48 -0.16 0.00 0.00 0.00 0.00 51.96 50.91 1wa7 s ALA 64 Cb -0.11 -0.06 -0.04 0.00 0.00 0.00 0.00 23.12 22.90 1wa7 s ALA 64 CO 0.38 0.06 1.04 0.15 0.00 0.00 0.00 175.76 177.39 1wa7 s LYS 65 N -3.24 3.45 -0.45 0.00 1.02 -1.26 0.25 119.74 119.51 1wa7 s LYS 65 Ca 0.16 1.13 0.02 0.00 0.02 0.00 0.00 55.97 57.31 1wa7 s LYS 65 Cb -0.02 -2.05 0.13 0.00 -0.52 0.00 0.00 37.83 35.37 1wa7 s LYS 65 CO 0.04 -0.70 0.23 -1.17 -0.92 0.00 0.00 175.35 172.83 1wa7 s LEU 66 N -4.44 3.17 0.00 3.17 2.96 -1.25 -4.79 118.68 117.49 1wa7 s LEU 66 Ca 0.62 -2.65 0.00 0.00 -0.22 0.00 0.00 54.13 51.89 1wa7 s LEU 66 Cb -0.14 -1.21 0.00 0.00 0.50 0.00 0.00 46.19 45.34 1wa7 s LEU 66 CO 0.36 -0.27 0.43 0.59 -1.32 0.00 0.00 176.35 176.14 1wa7 n ASN 67 N 3.54 0.00 -0.95 3.68 4.13 -1.26 -5.01 115.26 119.39 1wa7 n ASN 67 Ca 0.07 0.43 0.12 0.00 1.68 0.00 0.00 54.58 56.87 1wa7 n ASN 67 Cb 0.35 0.00 0.11 0.00 -1.54 0.00 0.00 39.78 38.69 1wa7 n ASN 67 CO 0.00 0.00 0.00 0.41 0.28 0.00 0.00 177.26 177.95