#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 1.82 -0.09 1.69 0.00 -1.26 -5.11 107.32 104.38 1wa7 s GLY 10 Ca 0.00 -1.59 -0.04 0.00 0.00 0.00 0.00 44.72 43.09 1wa7 s GLY 10 CO 0.00 -1.25 0.19 0.99 0.00 0.00 0.00 173.10 173.03 1wa7 s ASP 11 N -4.51 0.02 -0.13 1.64 1.11 -1.26 -5.09 116.67 108.46 1wa7 s ASP 11 Ca 0.59 0.40 -0.07 0.00 0.18 0.00 0.00 52.55 53.66 1wa7 s ASP 11 Cb -0.09 0.32 -0.04 0.00 1.07 0.00 0.00 42.92 44.18 1wa7 s ASP 11 CO 0.39 -0.18 0.11 -0.63 1.18 0.00 0.00 175.17 176.04 1wa7 s ILE 12 N 1.50 5.24 0.15 0.77 1.09 -1.26 -2.07 121.20 126.63 1wa7 s ILE 12 Ca -0.06 0.11 0.05 0.00 -1.10 0.00 0.00 60.65 59.65 1wa7 s ILE 12 Cb -0.11 -3.29 -0.04 0.00 -1.06 0.00 0.00 42.46 37.95 1wa7 s ILE 12 CO -0.07 0.58 -0.11 0.68 -0.10 0.00 0.00 174.94 175.92 1wa7 s VAL 13 N -0.70 1.24 -0.03 2.92 -7.23 -0.18 -4.04 120.40 112.38 1wa7 s VAL 13 Ca 0.13 -2.07 0.07 0.00 -1.81 0.00 0.00 61.98 58.29 1wa7 s VAL 13 Cb -0.12 -1.87 -0.02 0.00 0.56 0.00 0.00 36.38 34.94 1wa7 s VAL 13 CO 0.03 -0.73 -0.25 0.54 -0.31 0.00 0.00 175.10 174.38 1wa7 s VAL 14 N -3.27 1.99 0.18 1.32 0.11 0.94 -0.30 120.40 121.37 1wa7 s VAL 14 Ca 0.17 -1.06 -0.30 0.00 -2.93 0.00 0.00 61.98 57.86 1wa7 s VAL 14 Cb 0.02 -1.67 -0.08 0.00 -1.53 0.00 0.00 36.38 33.13 1wa7 s VAL 14 CO 0.01 0.56 1.22 0.00 -3.33 0.00 0.00 175.10 173.56 1wa7 s ALA 15 N -0.45 3.45 -0.25 1.54 0.00 0.43 0.50 121.76 126.98 1wa7 s ALA 15 Ca 0.05 0.97 0.22 0.00 0.00 0.00 0.00 51.96 53.20 1wa7 s ALA 15 Cb -0.11 -3.43 -0.28 0.00 0.00 0.00 0.00 23.12 19.30 1wa7 s ALA 15 CO 0.01 -0.40 0.61 1.28 0.00 0.00 0.00 175.76 177.25 1wa7 n LEU 16 N 2.63 0.26 -3.68 0.00 4.77 0.05 0.28 117.00 121.31 1wa7 n LEU 16 Ca 0.05 -0.08 -0.13 0.00 -0.03 0.00 0.00 56.01 55.82 1wa7 n LEU 16 Cb 0.44 -0.01 -0.07 0.00 -2.33 0.00 0.00 43.42 41.46 1wa7 n LEU 16 CO 0.56 0.04 0.13 -0.31 -1.33 0.00 0.00 177.39 176.48 1wa7 s TYR 17 N -3.40 -0.25 0.60 -1.77 2.02 -1.25 -4.49 117.35 108.81 1wa7 s TYR 17 Ca -0.04 0.24 -0.19 0.00 -0.37 0.00 0.00 57.07 56.71 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 -0.54 1.24 -1.25 -1.57 0.00 0.00 175.55 174.32 1wa7 s PRO 18 N -2.27 2.89 0.63 -1.71 0.04 -1.25 -3.98 135.00 129.35 1wa7 s PRO 18 Ca -0.07 1.92 0.07 0.00 0.04 0.00 0.00 61.00 62.96 1wa7 s PRO 18 Cb -0.01 -1.94 0.11 0.00 0.04 0.00 0.00 34.50 32.69 1wa7 s PRO 18 CO -0.01 -1.29 0.87 -0.47 0.04 0.00 0.00 177.00 176.14 1wa7 s TYR 19 N -1.51 1.32 -0.89 0.56 5.04 0.64 -4.91 117.35 117.60 1wa7 s TYR 19 Ca 0.78 -0.63 -0.02 0.00 -2.44 0.00 0.00 57.07 54.76 1wa7 s TYR 19 Cb -0.33 -2.44 0.22 0.00 0.35 0.00 0.00 41.96 39.76 1wa7 s TYR 19 CO 0.36 -1.40 0.78 0.16 -1.34 0.00 0.00 175.55 174.11 1wa7 s ASP 20 N -4.72 6.02 -0.77 4.32 -4.77 -1.26 -4.74 116.67 110.76 1wa7 s ASP 20 Ca 0.64 -3.67 -0.24 0.00 -3.30 0.00 0.00 52.55 45.98 1wa7 s ASP 20 Cb -0.05 -1.92 -0.15 0.00 -1.09 0.00 0.00 42.92 39.71 1wa7 s ASP 20 CO 0.41 -0.20 2.40 0.61 0.70 0.00 0.00 175.17 179.09 1wa7 n GLY 21 N 2.41 -0.14 0.19 2.12 0.00 -1.26 -4.55 105.19 103.97 1wa7 n GLY 21 Ca 0.21 0.36 -0.15 0.00 0.00 0.00 0.00 46.02 46.44 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 8.32 1.00 -2.00 -0.61 5.41 -1.26 -4.98 119.36 125.24 1wa7 n ILE 22 Ca 0.48 -0.34 -0.32 0.00 1.00 0.00 0.00 62.75 63.57 1wa7 n ILE 22 Cb 0.41 -1.32 0.01 0.00 -0.71 0.00 0.00 39.64 38.04 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 -2.34 3.14 -0.62 1.39 3.76 -1.26 -4.92 115.29 114.44 1wa7 s HIS 23 Ca -0.24 1.47 0.20 0.00 -0.15 0.00 0.00 55.06 56.34 1wa7 s HIS 23 Cb 0.07 -2.92 0.87 0.00 1.11 0.00 0.00 32.58 31.71 1wa7 s HIS 23 CO 0.38 -0.97 1.62 -0.35 -0.85 0.00 0.00 174.74 174.57 1wa7 n PRO 24 N -2.23 0.13 -0.00 8.40 -0.04 -1.26 -2.73 135.00 137.27 1wa7 n PRO 24 Ca 0.08 0.39 0.04 0.00 -0.04 0.00 0.00 63.50 63.97 1wa7 n PRO 24 Cb 0.53 -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 -3.47 -0.04 0.00 0.00 175.50 171.99 1wa7 n ASP 25 N -2.02 1.43 -4.73 3.54 2.03 -1.26 -5.01 116.55 110.53 1wa7 n ASP 25 Ca 0.02 -0.42 -0.41 0.00 0.52 0.00 0.00 54.79 54.50 1wa7 n ASP 25 Cb 0.19 1.16 0.01 0.00 -0.72 0.00 0.00 41.12 41.76 1wa7 n ASP 25 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 1wa7 n ASP 26 N -1.44 2.95 -4.65 1.67 8.00 -1.10 -3.34 116.55 118.63 1wa7 n ASP 26 Ca 0.00 1.14 -0.37 0.00 0.71 0.00 0.00 54.79 56.28 1wa7 n ASP 26 Cb 0.17 -1.54 -0.09 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 -1.87 4.10 0.23 0.64 1.98 -1.20 -4.66 118.68 117.90 1wa7 s LEU 27 Ca 0.59 0.18 -0.29 0.00 -2.89 0.00 0.00 54.13 51.73 1wa7 s LEU 27 Cb -0.50 -2.21 -0.09 0.00 0.66 0.00 0.00 46.19 44.06 1wa7 s LEU 27 CO 0.59 0.01 0.90 -0.44 -1.89 0.00 0.00 176.35 175.52 1wa7 s SER 28 N 1.19 7.56 0.07 3.68 0.01 -1.26 -4.75 113.70 120.20 1wa7 s SER 28 Ca 0.10 1.86 -0.08 0.00 1.31 0.00 0.00 55.95 59.15 1wa7 s SER 28 Cb -0.14 -2.58 -0.01 0.00 0.21 0.00 0.00 66.02 63.50 1wa7 s SER 28 CO 0.06 0.16 0.16 0.72 0.41 0.00 0.00 173.24 174.75 1wa7 s PHE 29 N -1.20 0.17 0.47 2.43 -0.12 -1.26 -4.95 117.98 113.53 1wa7 s PHE 29 Ca 0.40 -0.54 0.06 0.00 -0.05 0.00 0.00 56.93 56.80 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 0.30 -0.47 0.30 0.15 -0.05 0.00 0.00 175.22 175.44 1wa7 s LYS 30 N -3.36 2.30 0.61 1.99 1.02 -1.26 -0.26 119.74 120.77 1wa7 s LYS 30 Ca 0.01 -1.89 -0.17 0.00 0.02 0.00 0.00 55.97 53.94 1wa7 s LYS 30 Cb 0.03 -2.08 -0.02 0.00 -0.52 0.00 0.00 37.83 35.24 1wa7 s LYS 30 CO -0.08 -0.35 1.16 -1.59 -0.92 0.00 0.00 175.35 173.56 1wa7 s LYS 31 N -4.10 2.93 0.00 1.68 -2.85 -1.26 -2.24 119.74 113.91 1wa7 s LYS 31 Ca 0.37 1.64 0.00 0.00 -1.00 0.00 0.00 55.97 56.98 1wa7 s LYS 31 Cb -0.00 -1.94 0.00 0.00 -2.06 0.00 0.00 37.83 33.82 1wa7 s LYS 31 CO 0.22 -1.20 0.00 0.41 0.10 0.00 0.00 175.35 174.88 1wa7 n GLY 32 N 0.12 1.34 3.77 0.59 0.00 0.81 -4.88 105.19 106.94 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 -0.10 4.40 -0.07 1.61 2.12 -0.95 -4.70 118.70 121.01 1wa7 s GLU 33 Ca 0.00 1.60 -0.12 0.00 0.36 0.00 0.00 54.97 56.81 1wa7 s GLU 33 Cb 0.00 -2.83 -0.05 0.00 0.26 0.00 0.00 34.13 31.51 1wa7 s GLU 33 CO 0.00 0.05 0.29 0.15 -0.54 0.00 0.00 175.26 175.21 1wa7 s LYS 34 N -2.02 3.80 0.05 4.30 1.02 -1.26 0.16 119.74 125.80 1wa7 s LYS 34 Ca 0.52 0.15 0.02 0.00 0.02 0.00 0.00 55.97 56.68 1wa7 s LYS 34 Cb -0.25 -3.25 -0.03 0.00 -0.52 0.00 0.00 37.83 33.78 1wa7 s LYS 34 CO 0.32 0.64 -0.08 -1.64 -0.92 0.00 0.00 175.35 173.68 1wa7 s MET 35 N -0.78 0.58 -0.22 1.68 -1.94 0.59 -3.69 119.30 115.53 1wa7 s MET 35 Ca 0.19 -0.86 -0.05 0.00 -1.71 0.00 0.00 55.69 53.26 1wa7 s MET 35 Cb -0.14 -0.28 -0.02 0.00 2.01 0.00 0.00 34.83 36.40 1wa7 s MET 35 CO 0.08 0.04 0.00 0.21 -0.01 0.00 0.00 175.02 175.34 1wa7 s LYS 36 N -1.99 3.55 -0.27 2.03 2.20 -1.02 -1.01 119.74 123.23 1wa7 s LYS 36 Ca -0.06 -0.54 -0.20 0.00 -0.36 0.00 0.00 55.97 54.80 1wa7 s LYS 36 Cb -0.07 -3.11 -0.02 0.00 -1.51 0.00 0.00 37.83 33.12 1wa7 s LYS 36 CO -0.01 -0.09 0.63 0.54 -0.36 0.00 0.00 175.35 176.06 1wa7 s VAL 37 N 1.26 4.97 -0.11 4.02 0.11 -0.88 0.37 120.40 130.14 1wa7 s VAL 37 Ca 0.04 1.02 -0.09 0.00 -2.93 0.00 0.00 61.98 60.02 1wa7 s VAL 37 Cb -0.15 -3.96 -0.27 0.00 -1.53 0.00 0.00 36.38 30.48 1wa7 s VAL 37 CO 0.01 -0.04 0.43 -0.07 -3.33 0.00 0.00 175.10 172.10 1wa7 h LEU 38 N 9.02 0.44 -7.40 2.54 4.07 -1.75 -3.34 115.31 118.88 1wa7 h LEU 38 Ca -0.27 -0.92 -0.42 0.00 0.08 0.00 0.00 57.88 56.35 1wa7 h LEU 38 Cb 1.12 -0.14 -0.39 0.00 1.08 0.00 0.00 40.66 42.33 1wa7 h LEU 38 CO 0.78 1.82 -0.76 -1.61 -1.08 0.00 0.00 178.44 177.59 1wa7 s GLU 39 N -2.55 0.34 -0.26 1.13 2.02 -1.26 -4.99 118.70 113.14 1wa7 s GLU 39 Ca -0.21 0.19 -0.11 0.00 0.02 0.00 0.00 54.97 54.85 1wa7 s GLU 39 Cb 0.06 -0.86 -0.05 0.00 0.10 0.00 0.00 34.13 33.38 1wa7 s GLU 39 CO 0.78 -0.33 0.20 -1.21 0.02 0.00 0.00 175.26 174.72 1wa7 s GLU 40 N 2.05 4.01 0.00 1.61 2.02 -1.26 -2.99 118.70 124.14 1wa7 s GLU 40 Ca 0.05 -0.24 0.00 0.00 0.02 0.00 0.00 54.97 54.79 1wa7 s GLU 40 Cb -0.12 -3.61 0.00 0.00 0.10 0.00 0.00 34.13 30.50 1wa7 s GLU 40 CO -0.05 -0.09 0.00 0.72 0.02 0.00 0.00 175.26 175.86 1wa7 n HIS 41 N 4.76 0.00 0.00 1.61 8.25 -1.26 -5.01 115.22 123.57 1wa7 n HIS 41 Ca -0.14 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.32 1wa7 n HIS 41 Cb 0.52 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.63 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 4.39 0.59 0.00 -1.41 0.00 -1.26 -4.93 105.19 102.57 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 0.19 -3.56 1.61 1.02 -1.26 -5.05 120.64 113.14 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 -0.02 -0.15 0.00 -0.02 0.00 0.00 31.44 31.26 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 0.00 0.52 0.06 -0.32 0.52 -1.26 -2.69 118.94 115.77 1wa7 s TRP 44 Ca 0.00 -1.03 -0.13 0.00 0.02 0.00 0.00 56.10 54.97 1wa7 s TRP 44 Cb 0.00 -1.01 -0.06 0.00 -1.15 0.00 0.00 33.47 31.25 1wa7 s TRP 44 CO 0.00 -0.84 0.43 -1.58 0.02 0.00 0.00 176.95 174.98 1wa7 s TRP 45 N 1.99 3.65 -0.48 -1.98 0.51 -0.52 -4.31 118.94 117.79 1wa7 s TRP 45 Ca 0.10 0.92 -0.25 0.00 -2.12 0.00 0.00 56.10 54.74 1wa7 s TRP 45 Cb -0.17 -2.25 0.03 0.00 -0.81 0.00 0.00 33.47 30.28 1wa7 s TRP 45 CO -0.34 0.56 0.91 0.21 -0.51 0.00 0.00 176.95 177.78 1wa7 s LYS 46 N -1.57 3.47 0.28 4.98 2.20 -1.16 0.17 119.74 128.09 1wa7 s LYS 46 Ca 0.30 0.03 0.04 0.00 -0.36 0.00 0.00 55.97 55.98 1wa7 s LYS 46 Cb -0.15 -3.96 0.04 0.00 -1.51 0.00 0.00 37.83 32.25 1wa7 s LYS 46 CO 0.16 -1.26 0.36 0.00 -0.36 0.00 0.00 175.35 174.25 1wa7 n ALA 47 N 7.16 0.57 -3.44 3.13 0.00 0.11 -2.20 120.51 125.83 1wa7 n ALA 47 Ca 0.05 -1.01 -0.26 0.00 0.00 0.00 0.00 53.44 52.21 1wa7 n ALA 47 Cb 0.48 0.29 -0.17 0.00 0.00 0.00 0.00 19.45 20.06 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 -3.23 1.97 -0.02 0.00 2.47 0.16 -2.22 119.74 118.86 1wa7 s LYS 48 Ca 0.27 -0.50 -0.30 0.00 -1.56 0.00 0.00 55.97 53.88 1wa7 s LYS 48 Cb -0.02 -1.60 -0.04 0.00 -1.46 0.00 0.00 37.83 34.71 1wa7 s LYS 48 CO 0.17 0.04 1.21 0.45 0.16 0.00 0.00 175.35 177.38 1wa7 s SER 49 N 0.66 7.06 0.00 1.43 0.15 0.71 -2.44 113.70 121.27 1wa7 s SER 49 Ca -0.14 1.89 0.17 0.00 0.70 0.00 0.00 55.95 58.56 1wa7 s SER 49 Cb -0.16 -2.56 0.80 0.00 -1.71 0.00 0.00 66.02 62.38 1wa7 s SER 49 CO 0.04 -0.55 1.51 0.18 1.20 0.00 0.00 173.24 175.62 1wa7 n LEU 50 N 4.80 0.00 0.13 3.45 4.77 -1.24 -1.53 117.00 127.39 1wa7 n LEU 50 Ca 0.10 0.37 -0.13 0.00 -0.03 0.00 0.00 56.01 56.32 1wa7 n LEU 50 Cb 0.46 -0.37 -0.06 0.00 -2.33 0.00 0.00 43.42 41.12 1wa7 n LEU 50 CO 0.55 -0.16 0.65 0.25 -1.33 0.00 0.00 177.39 177.35 1wa7 h LEU 51 N 0.00 -0.91 -1.72 2.23 5.85 -1.89 -3.40 115.31 115.47 1wa7 h LEU 51 Ca 0.00 0.10 -0.09 0.00 0.84 0.00 0.00 57.88 58.73 1wa7 h LEU 51 Cb 0.21 0.34 -0.09 0.00 0.37 0.00 0.00 40.66 41.48 1wa7 h LEU 51 CO 0.00 -0.41 -0.21 1.07 -0.34 0.00 0.00 178.44 178.55 1wa7 n THR 52 N -5.42 0.00 -1.36 1.05 5.66 -1.21 -5.01 114.28 107.99 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 0.33 0.36 0.00 0.00 -1.55 0.00 0.00 70.33 69.47 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 -3.07 1.09 4.76 -0.58 -5.05 118.16 115.31 1wa7 n LYS 53 Ca -0.20 0.00 -0.40 0.00 -2.87 0.00 0.00 58.31 54.84 1wa7 n LYS 53 Cb 0.64 -1.52 -0.05 0.00 -1.84 0.00 0.00 35.03 32.26 1wa7 n LYS 53 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 1wa7 s LYS 54 N -2.52 4.43 -0.20 1.97 1.02 -1.09 -4.78 119.74 118.56 1wa7 s LYS 54 Ca 0.00 0.85 0.01 0.00 0.02 0.00 0.00 55.97 56.85 1wa7 s LYS 54 Cb 0.00 -3.43 0.03 0.00 -0.52 0.00 0.00 37.83 33.91 1wa7 s LYS 54 CO 0.00 0.11 -0.18 -1.83 -0.92 0.00 0.00 175.35 172.53 1wa7 s GLU 55 N 0.65 2.79 0.37 1.68 -1.05 -1.26 0.26 118.70 122.14 1wa7 s GLU 55 Ca 0.36 -0.92 -0.10 0.00 -0.15 0.00 0.00 54.97 54.17 1wa7 s GLU 55 Cb -0.18 -2.61 0.03 0.00 -0.44 0.00 0.00 34.13 30.94 1wa7 s GLU 55 CO 0.18 -0.29 0.66 0.20 0.95 0.00 0.00 175.26 176.96 1wa7 s GLY 56 N 1.26 0.89 0.06 -3.83 0.00 -0.94 -4.66 107.32 100.10 1wa7 s GLY 56 Ca 0.02 -1.11 -0.30 0.00 0.00 0.00 0.00 44.72 43.33 1wa7 s GLY 56 CO -0.11 -0.62 0.97 -1.36 0.00 0.00 0.00 173.10 171.98 1wa7 s PHE 57 N -2.57 3.74 -0.05 1.90 0.08 -1.21 -0.72 117.98 119.16 1wa7 s PHE 57 Ca 0.22 1.75 0.07 0.00 0.12 0.00 0.00 56.93 59.09 1wa7 s PHE 57 Cb -0.03 -3.08 -0.01 0.00 -0.57 0.00 0.00 43.02 39.33 1wa7 s PHE 57 CO 0.16 0.11 -0.25 0.96 -0.10 0.00 0.00 175.22 176.10 1wa7 s ILE 58 N 0.45 2.03 0.18 0.64 -4.36 0.44 -3.28 121.20 117.29 1wa7 s ILE 58 Ca 0.49 -1.06 -0.30 0.00 -0.26 0.00 0.00 60.65 59.52 1wa7 s ILE 58 Cb -0.22 -1.70 -0.08 0.00 1.25 0.00 0.00 42.46 41.71 1wa7 s ILE 58 CO 0.29 0.57 1.16 -2.16 0.24 0.00 0.00 174.94 175.03 1wa7 s PRO 59 N -0.28 4.53 0.00 0.37 0.04 -1.26 -1.44 135.00 136.95 1wa7 s PRO 59 Ca 0.00 1.81 0.05 0.00 0.04 0.00 0.00 61.00 62.89 1wa7 s PRO 59 Cb -0.13 -3.26 0.27 0.00 0.04 0.00 0.00 34.50 31.43 1wa7 s PRO 59 CO 0.02 -0.03 0.64 0.45 0.04 0.00 0.00 177.00 178.13 1wa7 n SER 60 N 2.50 0.00 -0.12 6.66 2.88 -1.10 -3.09 113.62 121.36 1wa7 n SER 60 Ca 0.04 -0.46 -0.25 0.00 -1.33 0.00 0.00 58.87 56.88 1wa7 n SER 60 Cb 0.45 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 63.83 1wa7 n SER 60 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 1wa7 n ASN 61 N -0.74 1.85 0.36 -3.46 6.94 -1.26 -4.68 115.26 114.27 1wa7 n ASN 61 Ca 0.03 0.32 -0.19 0.00 -0.02 0.00 0.00 54.58 54.73 1wa7 n ASN 61 Cb 0.02 -0.76 -0.09 0.00 -2.36 0.00 0.00 39.78 36.58 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 -0.94 -1.23 -4.26 -2.53 0.05 -1.89 -3.43 116.97 102.73 1wa7 h TYR 62 Ca -0.55 -0.00 -0.49 0.00 0.05 0.00 0.00 58.73 57.74 1wa7 h TYR 62 Cb 1.47 0.46 0.04 0.00 1.01 0.00 0.00 36.73 39.70 1wa7 h TYR 62 CO -0.14 -0.66 0.39 0.14 -1.05 0.00 0.00 178.16 176.84 1wa7 s VAL 63 N -5.95 4.58 0.14 -2.88 -7.23 -1.24 -0.77 120.40 107.06 1wa7 s VAL 63 Ca -0.18 1.06 0.05 0.00 -1.81 0.00 0.00 61.98 61.10 1wa7 s VAL 63 Cb 0.04 -3.77 -0.04 0.00 0.56 0.00 0.00 36.38 33.17 1wa7 s VAL 63 CO 0.61 -0.88 -0.10 0.00 -0.31 0.00 0.00 175.10 174.42 1wa7 s ALA 64 N -2.85 1.44 -0.78 1.32 0.00 0.18 -4.82 121.76 116.25 1wa7 s ALA 64 Ca 0.57 -1.47 -0.26 0.00 0.00 0.00 0.00 51.96 50.81 1wa7 s ALA 64 Cb -0.11 0.04 0.01 0.00 0.00 0.00 0.00 23.12 23.07 1wa7 s ALA 64 CO 0.41 -0.08 1.52 0.15 0.00 0.00 0.00 175.76 177.76 1wa7 s LYS 65 N -3.64 3.06 -0.12 0.00 1.02 -1.26 -0.04 119.74 118.75 1wa7 s LYS 65 Ca 0.16 -0.20 -0.05 0.00 0.02 0.00 0.00 55.97 55.89 1wa7 s LYS 65 Cb 0.02 -4.55 0.06 0.00 -0.52 0.00 0.00 37.83 32.84 1wa7 s LYS 65 CO 0.01 -2.43 0.27 -0.51 -0.92 0.00 0.00 175.35 171.76 1wa7 s LEU 66 N 6.87 -0.06 0.20 3.17 1.43 -1.26 -4.91 118.68 124.12 1wa7 s LEU 66 Ca 0.49 0.60 -0.16 0.00 -1.03 0.00 0.00 54.13 54.02 1wa7 s LEU 66 Cb -0.07 0.76 0.02 0.00 0.03 0.00 0.00 46.19 46.93 1wa7 s LEU 66 CO 0.10 -0.21 0.50 0.54 0.23 0.00 0.00 176.35 177.51 1wa7 s ASN 67 N 1.98 -0.21 0.00 2.29 4.22 -1.26 -3.93 114.94 118.03 1wa7 s ASN 67 Ca -0.03 -0.56 0.16 0.00 -2.14 0.00 0.00 52.86 50.28 1wa7 s ASN 67 Cb -0.11 0.57 0.13 0.00 1.28 0.00 0.00 41.25 43.11 1wa7 s ASN 67 CO -0.09 -1.05 1.00 0.35 -2.04 0.00 0.00 177.10 175.27