#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 -0.33 0.14 1.08 0.00 -1.26 -4.38 107.32 102.56 1wa7 s GLY 10 Ca 0.00 1.20 -0.13 0.00 0.00 0.00 0.00 44.72 45.79 1wa7 s GLY 10 CO 0.00 2.42 0.34 0.99 0.00 0.00 0.00 173.10 176.85 1wa7 s ASP 11 N 2.56 -0.08 -0.11 1.64 1.11 -1.23 -5.06 116.67 115.50 1wa7 s ASP 11 Ca 0.04 -0.57 -0.02 0.00 0.18 0.00 0.00 52.55 52.18 1wa7 s ASP 11 Cb -0.13 0.45 -0.03 0.00 1.07 0.00 0.00 42.92 44.28 1wa7 s ASP 11 CO -0.13 -0.87 -0.02 -0.63 1.18 0.00 0.00 175.17 174.70 1wa7 s ILE 12 N -3.87 4.11 0.16 0.77 -1.09 -1.26 -2.33 121.20 117.68 1wa7 s ILE 12 Ca 0.08 -0.31 0.04 0.00 -2.23 0.00 0.00 60.65 58.24 1wa7 s ILE 12 Cb 0.02 -2.75 -0.05 0.00 -1.58 0.00 0.00 42.46 38.11 1wa7 s ILE 12 CO -0.07 0.57 -0.09 0.68 -1.23 0.00 0.00 174.94 174.79 1wa7 s VAL 13 N -0.47 1.18 -0.03 2.92 -7.23 -0.54 -3.84 120.40 112.39 1wa7 s VAL 13 Ca 0.08 -2.07 0.07 0.00 -1.81 0.00 0.00 61.98 58.26 1wa7 s VAL 13 Cb -0.12 -1.92 -0.02 0.00 0.56 0.00 0.00 36.38 34.89 1wa7 s VAL 13 CO 0.02 -0.69 -0.25 0.54 -0.31 0.00 0.00 175.10 174.41 1wa7 s VAL 14 N -3.32 1.98 0.16 1.32 0.11 0.72 -0.87 120.40 120.49 1wa7 s VAL 14 Ca 0.18 -1.07 -0.30 0.00 -2.93 0.00 0.00 61.98 57.86 1wa7 s VAL 14 Cb 0.03 -1.65 -0.08 0.00 -1.53 0.00 0.00 36.38 33.15 1wa7 s VAL 14 CO 0.02 0.56 1.25 0.00 -3.33 0.00 0.00 175.10 173.59 1wa7 s ALA 15 N -0.52 3.47 -0.31 1.54 0.00 0.34 0.24 121.76 126.52 1wa7 s ALA 15 Ca 0.07 0.99 0.22 0.00 0.00 0.00 0.00 51.96 53.24 1wa7 s ALA 15 Cb -0.10 -3.45 -0.27 0.00 0.00 0.00 0.00 23.12 19.30 1wa7 s ALA 15 CO -0.00 -0.45 0.64 1.28 0.00 0.00 0.00 175.76 177.23 1wa7 n LEU 16 N 2.99 0.32 -3.69 0.00 4.77 -0.51 0.27 117.00 121.15 1wa7 n LEU 16 Ca 0.06 -0.10 -0.14 0.00 -0.03 0.00 0.00 56.01 55.80 1wa7 n LEU 16 Cb 0.44 -0.01 -0.07 0.00 -2.33 0.00 0.00 43.42 41.45 1wa7 n LEU 16 CO 0.56 0.05 0.14 -0.31 -1.33 0.00 0.00 177.39 176.51 1wa7 s TYR 17 N -3.37 -0.29 0.60 -1.77 2.02 -1.25 -4.57 117.35 108.73 1wa7 s TYR 17 Ca -0.03 0.40 -0.19 0.00 -0.37 0.00 0.00 57.07 56.88 1wa7 s TYR 17 Cb 0.14 0.19 -0.03 0.00 -0.40 0.00 0.00 41.96 41.87 1wa7 s TYR 17 CO 0.89 -0.49 1.29 -1.25 -1.57 0.00 0.00 175.55 174.42 1wa7 s PRO 18 N -1.70 2.82 -0.06 -1.71 0.04 -1.25 -4.10 135.00 129.04 1wa7 s PRO 18 Ca -0.10 2.06 0.04 0.00 0.04 0.00 0.00 61.00 63.03 1wa7 s PRO 18 Cb -0.03 -1.99 -0.25 0.00 0.04 0.00 0.00 34.50 32.28 1wa7 s PRO 18 CO 0.03 -1.39 0.59 -0.92 0.04 0.00 0.00 177.00 175.36 1wa7 h TYR 19 N 0.90 0.23 0.00 0.56 3.20 -0.98 -3.48 116.97 117.40 1wa7 h TYR 19 Ca -0.51 -0.17 0.00 0.00 3.14 0.00 0.00 58.73 61.19 1wa7 h TYR 19 Cb 1.32 -0.01 0.00 0.00 1.54 0.00 0.00 36.73 39.58 1wa7 h TYR 19 CO 0.44 1.33 0.00 -3.47 -1.64 0.00 0.00 178.16 174.82 1wa7 n ASP 20 N -3.26 0.00 -1.72 -2.11 2.03 -1.26 -4.86 116.55 105.37 1wa7 n ASP 20 Ca -0.22 0.00 -0.00 0.00 0.52 0.00 0.00 54.79 55.09 1wa7 n ASP 20 Cb 1.05 0.00 -0.00 0.00 -0.72 0.00 0.00 41.12 41.44 1wa7 n ASP 20 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1wa7 n GLY 21 N 0.00 -3.20 0.21 0.27 0.00 -1.26 -4.94 105.19 96.27 1wa7 n GLY 21 Ca 0.00 -0.07 -0.11 0.00 0.00 0.00 0.00 46.02 45.84 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 0.20 0.79 -2.21 -0.61 -0.00 -1.26 -4.99 119.36 111.28 1wa7 n ILE 22 Ca -0.03 -0.27 -0.33 0.00 -0.00 0.00 0.00 62.75 62.12 1wa7 n ILE 22 Cb 0.04 -1.20 -0.00 0.00 -0.00 0.00 0.00 39.64 38.48 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 -2.27 3.02 -1.03 1.39 3.76 -1.26 -4.91 115.29 113.98 1wa7 s HIS 23 Ca -0.19 1.53 0.14 0.00 -0.15 0.00 0.00 55.06 56.39 1wa7 s HIS 23 Cb 0.06 -3.01 0.62 0.00 1.11 0.00 0.00 32.58 31.35 1wa7 s HIS 23 CO 0.30 -1.00 1.45 -0.35 -0.85 0.00 0.00 174.74 174.30 1wa7 n PRO 24 N -1.71 0.02 -0.00 8.40 -0.04 -1.26 -2.82 135.00 137.59 1wa7 n PRO 24 Ca 0.09 0.25 0.03 0.00 -0.04 0.00 0.00 63.50 63.82 1wa7 n PRO 24 Cb 0.53 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 32.45 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 -1.48 2.81 -4.72 3.54 8.00 -1.26 -5.02 116.55 118.41 1wa7 n ASP 25 Ca 0.04 -0.16 -0.41 0.00 0.71 0.00 0.00 54.79 54.96 1wa7 n ASP 25 Cb 0.16 1.19 0.00 0.00 -0.02 0.00 0.00 41.12 42.46 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 -1.55 2.90 -4.62 -2.24 8.00 -1.13 -4.05 116.55 113.87 1wa7 n ASP 26 Ca -0.00 1.16 -0.41 0.00 0.71 0.00 0.00 54.79 56.25 1wa7 n ASP 26 Cb 0.13 -1.52 -0.06 0.00 -0.02 0.00 0.00 41.12 39.64 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 -1.61 4.09 0.23 0.64 1.98 -1.24 -4.76 118.68 118.01 1wa7 s LEU 27 Ca 0.58 0.61 -0.30 0.00 -2.89 0.00 0.00 54.13 52.12 1wa7 s LEU 27 Cb -0.52 -2.83 -0.09 0.00 0.66 0.00 0.00 46.19 43.42 1wa7 s LEU 27 CO 0.60 -0.40 1.03 -0.94 -1.89 0.00 0.00 176.35 174.75 1wa7 s SER 28 N 1.53 7.42 0.04 3.68 1.04 -1.26 -4.79 113.70 121.37 1wa7 s SER 28 Ca 0.26 2.07 -0.05 0.00 0.48 0.00 0.00 55.95 58.71 1wa7 s SER 28 Cb -0.15 -2.61 -0.01 0.00 0.10 0.00 0.00 66.02 63.34 1wa7 s SER 28 CO 0.10 -0.05 0.09 0.72 0.98 0.00 0.00 173.24 175.08 1wa7 s PHE 29 N -0.84 0.22 0.49 5.02 -0.12 -1.26 -4.96 117.98 116.53 1wa7 s PHE 29 Ca 0.45 -0.55 0.05 0.00 -0.05 0.00 0.00 56.93 56.83 1wa7 s PHE 29 Cb -0.28 -0.16 0.00 0.00 -0.63 0.00 0.00 43.02 41.95 1wa7 s PHE 29 CO 0.35 -0.38 0.27 0.21 -0.05 0.00 0.00 175.22 175.63 1wa7 s LYS 30 N -2.79 2.26 0.72 1.99 2.47 -1.26 -0.26 119.74 122.87 1wa7 s LYS 30 Ca -0.03 -1.99 -0.14 0.00 -1.56 0.00 0.00 55.97 52.24 1wa7 s LYS 30 Cb -0.00 -2.00 0.04 0.00 -1.46 0.00 0.00 37.83 34.41 1wa7 s LYS 30 CO -0.05 -0.40 1.15 0.15 0.16 0.00 0.00 175.35 176.35 1wa7 s LYS 31 N -4.10 2.31 0.00 4.03 3.01 -1.26 -2.25 119.74 121.48 1wa7 s LYS 31 Ca 0.32 1.51 0.00 0.00 -1.01 0.00 0.00 55.97 56.80 1wa7 s LYS 31 Cb 0.00 -1.88 0.00 0.00 -1.01 0.00 0.00 37.83 34.94 1wa7 s LYS 31 CO 0.19 -1.65 0.00 0.41 0.51 0.00 0.00 175.35 174.81 1wa7 n GLY 32 N -0.19 0.72 3.76 -3.33 0.00 0.77 -4.89 105.19 102.02 1wa7 n GLY 32 Ca 0.11 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.21 4.55 -0.06 1.61 2.56 -0.96 -4.70 118.70 121.49 1wa7 s GLU 33 Ca 0.00 1.73 -0.14 0.00 0.00 0.00 0.00 54.97 56.56 1wa7 s GLU 33 Cb 0.00 -3.05 -0.05 0.00 2.00 0.00 0.00 34.13 33.03 1wa7 s GLU 33 CO 0.00 0.15 0.35 0.15 -0.56 0.00 0.00 175.26 175.35 1wa7 s LYS 34 N -1.66 3.95 0.05 4.30 1.02 -1.26 0.13 119.74 126.26 1wa7 s LYS 34 Ca 0.47 0.26 0.01 0.00 0.02 0.00 0.00 55.97 56.73 1wa7 s LYS 34 Cb -0.30 -3.28 -0.03 0.00 -0.52 0.00 0.00 37.83 33.71 1wa7 s LYS 34 CO 0.38 0.56 -0.06 -1.64 -0.92 0.00 0.00 175.35 173.67 1wa7 s MET 35 N -0.58 0.55 -0.20 1.68 -1.94 -0.05 -3.69 119.30 115.07 1wa7 s MET 35 Ca 0.21 -0.89 -0.04 0.00 -1.71 0.00 0.00 55.69 53.26 1wa7 s MET 35 Cb -0.15 -0.14 -0.02 0.00 2.01 0.00 0.00 34.83 36.54 1wa7 s MET 35 CO 0.10 -0.00 -0.03 0.21 -0.01 0.00 0.00 175.02 175.28 1wa7 s LYS 36 N -2.26 3.51 -0.34 2.03 2.20 -1.02 -1.47 119.74 122.39 1wa7 s LYS 36 Ca -0.05 -0.57 -0.22 0.00 -0.36 0.00 0.00 55.97 54.77 1wa7 s LYS 36 Cb -0.05 -3.00 0.00 0.00 -1.51 0.00 0.00 37.83 33.27 1wa7 s LYS 36 CO -0.02 -0.04 0.72 0.54 -0.36 0.00 0.00 175.35 176.19 1wa7 s VAL 37 N 1.09 4.83 -0.03 4.02 0.11 -0.99 -0.05 120.40 129.38 1wa7 s VAL 37 Ca 0.02 0.86 -0.15 0.00 -2.93 0.00 0.00 61.98 59.78 1wa7 s VAL 37 Cb -0.15 -4.12 -0.32 0.00 -1.53 0.00 0.00 36.38 30.26 1wa7 s VAL 37 CO 0.00 -0.30 0.80 -0.07 -3.33 0.00 0.00 175.10 172.20 1wa7 h LEU 38 N 9.47 0.66 -7.25 2.54 3.38 -1.74 -3.25 115.31 119.11 1wa7 h LEU 38 Ca -0.25 -0.92 -0.17 0.00 0.09 0.00 0.00 57.88 56.62 1wa7 h LEU 38 Cb 1.10 -0.21 -0.29 0.00 0.09 0.00 0.00 40.66 41.35 1wa7 h LEU 38 CO 0.86 1.69 -0.44 -1.61 0.09 0.00 0.00 178.44 179.04 1wa7 s GLU 39 N -2.55 0.25 -0.13 1.13 8.01 -1.26 -3.69 118.70 120.45 1wa7 s GLU 39 Ca -0.14 0.72 -0.14 0.00 0.01 0.00 0.00 54.97 55.41 1wa7 s GLU 39 Cb 0.04 -0.02 -0.05 0.00 -4.31 0.00 0.00 34.13 29.80 1wa7 s GLU 39 CO 0.87 -0.21 0.33 -1.21 0.01 0.00 0.00 175.26 175.06 1wa7 s GLU 40 N 1.78 4.21 0.00 1.61 2.02 -1.26 -3.19 118.70 123.87 1wa7 s GLU 40 Ca -0.06 0.19 0.00 0.00 0.02 0.00 0.00 54.97 55.12 1wa7 s GLU 40 Cb -0.11 -3.40 0.00 0.00 0.10 0.00 0.00 34.13 30.73 1wa7 s GLU 40 CO -0.10 0.29 0.00 0.72 0.02 0.00 0.00 175.26 176.19 1wa7 n HIS 41 N 3.36 0.00 0.01 1.61 8.25 -1.26 -4.97 115.22 122.22 1wa7 n HIS 41 Ca -0.11 0.00 -0.06 0.00 -0.26 0.00 0.00 57.72 57.28 1wa7 n HIS 41 Cb 0.52 0.00 -0.12 0.00 1.12 0.00 0.00 29.99 31.51 1wa7 n HIS 41 CO 0.00 0.00 0.00 0.78 0.64 0.00 0.00 176.34 177.76 1wa7 h GLY 42 N 0.00 0.00 0.00 -1.41 0.00 -2.03 -3.44 103.07 96.19 1wa7 h GLY 42 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1wa7 h GLY 42 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 176.54 174.33 1wa7 n GLU 43 N -3.07 0.00 -3.61 4.80 4.07 -1.26 -5.08 120.64 116.50 1wa7 n GLU 43 Ca -0.12 0.00 -0.29 0.00 -0.06 0.00 0.00 57.16 56.69 1wa7 n GLU 43 Cb 0.98 0.00 -0.14 0.00 -0.06 0.00 0.00 31.44 32.22 1wa7 n GLU 43 CO 0.00 0.00 0.00 -1.58 -0.06 0.00 0.00 177.13 175.49 1wa7 s TRP 44 N 0.00 1.02 0.11 4.31 0.52 -1.26 -1.91 118.94 121.73 1wa7 s TRP 44 Ca 0.00 -1.45 -0.10 0.00 0.02 0.00 0.00 56.10 54.57 1wa7 s TRP 44 Cb 0.00 -1.27 -0.06 0.00 -1.15 0.00 0.00 33.47 30.99 1wa7 s TRP 44 CO 0.00 -0.84 0.44 -1.58 0.02 0.00 0.00 176.95 174.99 1wa7 s TRP 45 N 1.59 3.57 -0.51 -1.98 0.51 -0.19 -4.15 118.94 117.77 1wa7 s TRP 45 Ca 0.12 0.83 -0.25 0.00 -2.12 0.00 0.00 56.10 54.67 1wa7 s TRP 45 Cb -0.18 -2.20 0.03 0.00 -0.81 0.00 0.00 33.47 30.31 1wa7 s TRP 45 CO -0.23 0.47 0.96 0.21 -0.51 0.00 0.00 176.95 177.86 1wa7 s LYS 46 N -2.06 3.45 0.58 4.98 2.20 -1.19 0.22 119.74 127.92 1wa7 s LYS 46 Ca 0.36 0.01 0.09 0.00 -0.36 0.00 0.00 55.97 56.07 1wa7 s LYS 46 Cb -0.14 -3.98 0.10 0.00 -1.51 0.00 0.00 37.83 32.29 1wa7 s LYS 46 CO 0.19 -1.38 0.80 0.00 -0.36 0.00 0.00 175.35 174.61 1wa7 n ALA 47 N 7.42 1.22 -3.30 3.13 0.00 0.25 -2.37 120.51 126.86 1wa7 n ALA 47 Ca 0.05 -2.08 -0.30 0.00 0.00 0.00 0.00 53.44 51.11 1wa7 n ALA 47 Cb 0.48 0.56 -0.17 0.00 0.00 0.00 0.00 19.45 20.33 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 -4.62 2.62 -0.04 0.00 2.20 0.93 -2.02 119.74 118.82 1wa7 s LYS 48 Ca 0.61 -0.73 -0.30 0.00 -0.36 0.00 0.00 55.97 55.19 1wa7 s LYS 48 Cb -0.05 -2.02 -0.03 0.00 -1.51 0.00 0.00 37.83 34.22 1wa7 s LYS 48 CO 0.39 0.13 1.13 0.45 -0.36 0.00 0.00 175.35 177.09 1wa7 s SER 49 N 0.45 7.14 0.00 1.43 0.15 0.81 -2.42 113.70 121.25 1wa7 s SER 49 Ca -0.18 1.77 0.17 0.00 0.70 0.00 0.00 55.95 58.42 1wa7 s SER 49 Cb -0.17 -2.56 0.74 0.00 -1.71 0.00 0.00 66.02 62.32 1wa7 s SER 49 CO 0.07 -0.49 1.54 0.18 1.20 0.00 0.00 173.24 175.74 1wa7 n LEU 50 N 4.75 0.00 0.02 3.45 4.32 -1.24 -1.49 117.00 126.81 1wa7 n LEU 50 Ca 0.09 0.47 -0.11 0.00 -0.02 0.00 0.00 56.01 56.45 1wa7 n LEU 50 Cb 0.47 -0.47 -0.04 0.00 -1.62 0.00 0.00 43.42 41.76 1wa7 n LEU 50 CO 0.54 -0.20 0.66 0.25 -1.22 0.00 0.00 177.39 177.42 1wa7 h LEU 51 N 0.00 -0.94 -1.80 2.23 5.85 -1.89 -3.39 115.31 115.37 1wa7 h LEU 51 Ca 0.00 0.14 -0.10 0.00 0.84 0.00 0.00 57.88 58.75 1wa7 h LEU 51 Cb 0.28 0.40 -0.10 0.00 0.37 0.00 0.00 40.66 41.60 1wa7 h LEU 51 CO 0.00 -0.35 -0.23 1.07 -0.34 0.00 0.00 178.44 178.58 1wa7 n THR 52 N -5.40 0.00 -1.47 1.05 5.66 -1.21 -5.00 114.28 107.90 1wa7 n THR 52 Ca -0.03 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.97 1wa7 n THR 52 Cb 0.32 0.40 0.00 0.00 -1.55 0.00 0.00 70.33 69.50 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 0.00 0.00 -3.01 1.09 5.02 -0.55 -5.05 118.16 115.66 1wa7 n LYS 53 Ca -0.23 0.00 -0.40 0.00 -2.02 0.00 0.00 58.31 55.67 1wa7 n LYS 53 Cb 0.64 -1.61 -0.05 0.00 -0.02 0.00 0.00 35.03 33.99 1wa7 n LYS 53 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 1wa7 s LYS 54 N -2.79 4.46 -0.21 1.97 2.47 -1.01 -4.77 119.74 119.86 1wa7 s LYS 54 Ca 0.00 0.99 0.01 0.00 -1.56 0.00 0.00 55.97 55.42 1wa7 s LYS 54 Cb 0.00 -3.40 0.04 0.00 -1.46 0.00 0.00 37.83 33.01 1wa7 s LYS 54 CO 0.00 0.19 -0.13 -1.21 0.16 0.00 0.00 175.35 174.36 1wa7 s GLU 55 N 0.31 2.28 0.27 4.03 2.02 -1.26 0.28 118.70 126.64 1wa7 s GLU 55 Ca 0.38 -0.95 -0.12 0.00 0.02 0.00 0.00 54.97 54.30 1wa7 s GLU 55 Cb -0.19 -2.55 0.00 0.00 0.10 0.00 0.00 34.13 31.48 1wa7 s GLU 55 CO 0.21 -0.41 0.51 0.20 0.02 0.00 0.00 175.26 175.79 1wa7 s GLY 56 N 1.31 0.63 0.10 -1.39 0.00 -0.85 -4.64 107.32 102.47 1wa7 s GLY 56 Ca -0.02 -0.94 -0.30 0.00 0.00 0.00 0.00 44.72 43.46 1wa7 s GLY 56 CO -0.08 -0.63 1.14 -1.36 0.00 0.00 0.00 173.10 172.16 1wa7 s PHE 57 N -3.75 3.52 -0.04 1.90 0.08 -1.26 -0.58 117.98 117.85 1wa7 s PHE 57 Ca 0.23 1.46 0.06 0.00 0.12 0.00 0.00 56.93 58.80 1wa7 s PHE 57 Cb -0.01 -3.33 -0.01 0.00 -0.57 0.00 0.00 43.02 39.09 1wa7 s PHE 57 CO 0.11 -0.88 -0.23 0.96 -0.10 0.00 0.00 175.22 175.08 1wa7 s ILE 58 N 0.52 1.85 0.23 0.64 -4.36 0.59 -3.61 121.20 117.05 1wa7 s ILE 58 Ca 0.54 -0.98 -0.30 0.00 -0.26 0.00 0.00 60.65 59.66 1wa7 s ILE 58 Cb -0.29 -1.56 -0.09 0.00 1.25 0.00 0.00 42.46 41.78 1wa7 s ILE 58 CO 0.32 0.52 1.13 -2.16 0.24 0.00 0.00 174.94 174.98 1wa7 s PRO 59 N -0.30 4.58 0.00 0.37 0.04 -1.26 -1.03 135.00 137.40 1wa7 s PRO 59 Ca 0.02 1.81 0.07 0.00 0.04 0.00 0.00 61.00 62.94 1wa7 s PRO 59 Cb -0.11 -3.22 0.43 0.00 0.04 0.00 0.00 34.50 31.64 1wa7 s PRO 59 CO 0.01 0.09 0.85 0.45 0.04 0.00 0.00 177.00 178.44 1wa7 n SER 60 N 1.83 0.00 -0.11 6.66 2.88 -0.80 -3.25 113.62 120.83 1wa7 n SER 60 Ca 0.01 -0.57 -0.18 0.00 -1.33 0.00 0.00 58.87 56.81 1wa7 n SER 60 Cb 0.45 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.85 1wa7 n SER 60 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 1wa7 n ASN 61 N -0.78 1.89 0.13 -3.46 5.15 -1.26 -4.67 115.26 112.25 1wa7 n ASN 61 Ca 0.05 0.32 -0.15 0.00 -0.60 0.00 0.00 54.58 54.20 1wa7 n ASN 61 Cb 0.02 -0.75 -0.09 0.00 -0.53 0.00 0.00 39.78 38.43 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 -0.95 -1.39 -4.20 1.20 0.05 -1.90 -3.42 116.97 106.34 1wa7 h TYR 62 Ca -0.32 0.03 -0.48 0.00 0.05 0.00 0.00 58.73 58.02 1wa7 h TYR 62 Cb 1.25 0.59 0.03 0.00 1.01 0.00 0.00 36.73 39.61 1wa7 h TYR 62 CO -0.26 -0.56 0.38 0.14 -1.05 0.00 0.00 178.16 176.80 1wa7 s VAL 63 N -5.55 4.37 0.16 -2.88 -7.23 -1.24 -1.42 120.40 106.61 1wa7 s VAL 63 Ca -0.15 1.11 0.05 0.00 -1.81 0.00 0.00 61.98 61.19 1wa7 s VAL 63 Cb 0.05 -3.65 -0.04 0.00 0.56 0.00 0.00 36.38 33.30 1wa7 s VAL 63 CO 0.56 -0.67 -0.12 0.00 -0.31 0.00 0.00 175.10 174.56 1wa7 s ALA 64 N -2.61 1.61 0.48 1.32 0.00 0.14 -4.82 121.76 117.87 1wa7 s ALA 64 Ca 0.60 -1.52 -0.20 0.00 0.00 0.00 0.00 51.96 50.83 1wa7 s ALA 64 Cb -0.11 0.00 -0.08 0.00 0.00 0.00 0.00 23.12 22.92 1wa7 s ALA 64 CO 0.34 -0.04 1.04 0.21 0.00 0.00 0.00 175.76 177.31 1wa7 s LYS 65 N -3.63 3.80 0.00 0.00 2.20 -1.26 -0.20 119.74 120.64 1wa7 s LYS 65 Ca 0.18 1.38 0.00 0.00 -0.36 0.00 0.00 55.97 57.17 1wa7 s LYS 65 Cb 0.01 -2.11 0.00 0.00 -1.51 0.00 0.00 37.83 34.22 1wa7 s LYS 65 CO 0.02 -0.44 0.00 -0.11 -0.36 0.00 0.00 175.35 174.47 1wa7 n LEU 66 N -0.94 0.00 0.00 5.43 7.94 -1.25 -4.78 117.00 123.40 1wa7 n LEU 66 Ca 0.09 -0.01 0.00 0.00 -1.11 0.00 0.00 56.01 54.98 1wa7 n LEU 66 Cb 0.52 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.47 1wa7 n LEU 66 CO 0.40 0.00 0.00 0.59 -1.11 0.00 0.00 177.39 177.27 1wa7 n ASN 67 N -0.32 -0.21 -0.46 1.96 5.03 -1.26 -5.11 115.26 114.90 1wa7 n ASN 67 Ca 0.00 0.00 0.14 0.00 0.87 0.00 0.00 54.58 55.59 1wa7 n ASN 67 Cb 0.00 0.00 0.54 0.00 -1.02 0.00 0.00 39.78 39.30 1wa7 n ASN 67 CO 0.00 0.00 0.00 1.07 -1.83 0.00 0.00 177.26 176.50