#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wx7 s SER 2 N 0.00 6.84 0.32 1.61 0.15 -1.26 -5.05 113.70 116.32 1wx7 s SER 2 Ca 0.00 2.34 0.10 0.00 0.70 0.00 0.00 55.95 59.09 1wx7 s SER 2 Cb 0.00 -2.62 -0.06 0.00 -1.71 0.00 0.00 66.02 61.63 1wx7 s SER 2 CO 0.00 -0.45 -0.11 -0.44 1.20 0.00 0.00 173.24 173.44 1wx7 s SER 3 N -0.99 3.79 -0.17 5.45 0.01 -1.26 -5.14 113.70 115.39 1wx7 s SER 3 Ca 0.51 -1.10 -0.04 0.00 1.31 0.00 0.00 55.95 56.63 1wx7 s SER 3 Cb -0.32 -0.38 0.07 0.00 0.21 0.00 0.00 66.02 65.60 1wx7 s SER 3 CO 0.41 -0.13 0.14 -0.83 0.41 0.00 0.00 173.24 173.24 1wx7 s GLY 4 N -3.60 0.19 -0.65 3.44 0.00 -1.26 -5.08 107.32 100.36 1wx7 s GLY 4 Ca 0.32 0.01 -0.26 0.00 0.00 0.00 0.00 44.72 44.79 1wx7 s GLY 4 CO 0.17 1.86 2.34 -0.56 0.00 0.00 0.00 173.10 176.91 1wx7 s SER 5 N 2.22 4.31 -0.11 1.64 0.01 -1.26 -4.91 113.70 115.60 1wx7 s SER 5 Ca 0.04 0.50 0.02 0.00 1.31 0.00 0.00 55.95 57.83 1wx7 s SER 5 Cb -0.15 -2.53 0.01 0.00 0.21 0.00 0.00 66.02 63.56 1wx7 s SER 5 CO -0.10 -3.25 -0.18 -0.44 0.41 0.00 0.00 173.24 169.69 1wx7 s SER 6 N 11.14 2.65 -0.36 2.44 0.01 -1.26 -5.03 113.70 123.28 1wx7 s SER 6 Ca 0.92 -0.48 0.14 0.00 1.31 0.00 0.00 55.95 57.84 1wx7 s SER 6 Cb -0.14 -1.20 0.41 0.00 0.21 0.00 0.00 66.02 65.29 1wx7 s SER 6 CO 0.17 0.05 0.88 0.61 0.41 0.00 0.00 173.24 175.35 1wx7 n GLY 7 N 4.09 2.87 3.64 3.44 0.00 -1.26 -5.06 105.19 112.90 1wx7 n GLY 7 Ca -0.19 -1.63 -0.04 0.00 0.00 0.00 0.00 46.02 44.15 1wx7 n GLY 7 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wx7 s SER 8 N -2.90 -0.63 1.10 1.61 0.15 -1.26 -5.18 113.70 106.59 1wx7 s SER 8 Ca 0.35 1.01 -0.08 0.00 0.70 0.00 0.00 55.95 57.93 1wx7 s SER 8 Cb 0.40 1.25 0.12 0.00 -1.71 0.00 0.00 66.02 66.08 1wx7 s SER 8 CO -0.03 -0.16 0.43 -0.81 1.20 0.00 0.00 173.24 173.86 1wx7 n PRO 9 N 3.83 -1.85 -1.33 5.44 -0.04 -1.26 -4.93 135.00 134.86 1wx7 n PRO 9 Ca -0.19 -0.68 -0.41 0.00 -0.04 0.00 0.00 63.50 62.18 1wx7 n PRO 9 Cb 0.58 -0.64 0.01 0.00 -0.04 0.00 0.00 33.50 33.41 1wx7 n PRO 9 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1wx7 n ALA 10 N -3.73 -2.55 -1.30 0.55 0.00 -1.26 -4.91 120.51 107.31 1wx7 n ALA 10 Ca -0.08 0.06 -0.31 0.00 0.00 0.00 0.00 53.44 53.11 1wx7 n ALA 10 Cb 0.23 -1.55 0.08 0.00 0.00 0.00 0.00 19.45 18.22 1wx7 n ALA 10 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1wx7 s PRO 11 N -1.22 2.34 0.62 0.00 0.04 -1.26 -5.05 135.00 130.47 1wx7 s PRO 11 Ca 0.60 1.21 -0.10 0.00 0.04 0.00 0.00 61.00 62.74 1wx7 s PRO 11 Cb -0.57 -1.90 0.15 0.00 0.04 0.00 0.00 34.50 32.22 1wx7 s PRO 11 CO 0.62 -1.58 0.58 1.33 0.04 0.00 0.00 177.00 177.98 1wx7 n VAL 12 N -3.34 0.00 -0.96 -0.36 0.24 -1.26 -5.03 118.33 107.61 1wx7 n VAL 12 Ca 0.09 -0.27 -0.29 0.00 -2.04 0.00 0.00 64.34 61.83 1wx7 n VAL 12 Cb 0.53 -1.17 0.22 0.00 -1.47 0.00 0.00 33.84 31.95 1wx7 n VAL 12 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1wx7 s GLN 13 N -4.30 -0.80 0.02 7.34 -2.07 -1.26 -5.08 119.66 113.51 1wx7 s GLN 13 Ca 0.37 0.28 -0.28 0.00 -1.82 0.00 0.00 55.36 53.91 1wx7 s GLN 13 Cb -0.03 -1.61 0.10 0.00 -1.09 0.00 0.00 33.01 30.37 1wx7 s GLN 13 CO 0.28 -3.50 0.89 -0.51 -1.32 0.00 0.00 175.29 171.13 1wx7 s ASP 14 N -3.45 -0.34 0.00 12.60 1.01 -1.26 -5.10 116.67 120.12 1wx7 s ASP 14 Ca 0.68 -0.06 0.00 0.00 0.71 0.00 0.00 52.55 53.88 1wx7 s ASP 14 Cb -0.16 0.40 0.00 0.00 1.01 0.00 0.00 42.92 44.18 1wx7 s ASP 14 CO 0.58 -0.67 0.00 -0.81 0.21 0.00 0.00 175.17 174.48 1wx7 n PRO 15 N -0.28 0.00 -0.62 8.23 -0.04 -1.26 -4.69 135.00 136.34 1wx7 n PRO 15 Ca -0.09 0.00 0.03 0.00 -0.04 0.00 0.00 63.50 63.40 1wx7 n PRO 15 Cb 0.62 -0.22 0.20 0.00 -0.04 0.00 0.00 33.50 34.06 1wx7 n PRO 15 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 1wx7 n HIS 16 N 0.00 0.46 -1.66 0.54 8.25 -1.26 -5.01 115.22 116.54 1wx7 n HIS 16 Ca 0.00 -1.46 -0.40 0.00 -0.26 0.00 0.00 57.72 55.60 1wx7 n HIS 16 Cb 0.00 -0.34 -0.03 0.00 1.12 0.00 0.00 29.99 30.74 1wx7 n HIS 16 CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 1wx7 s LEU 17 N -3.19 3.42 0.28 2.41 1.98 -1.26 -1.85 118.68 120.47 1wx7 s LEU 17 Ca 0.40 1.35 0.08 0.00 -2.89 0.00 0.00 54.13 53.06 1wx7 s LEU 17 Cb 0.37 -3.00 -0.03 0.00 0.66 0.00 0.00 46.19 44.19 1wx7 s LEU 17 CO -0.03 -2.37 0.19 0.27 -1.89 0.00 0.00 176.35 172.52 1wx7 s ILE 18 N 9.93 3.96 -0.13 6.68 -4.36 0.14 -4.85 121.20 132.57 1wx7 s ILE 18 Ca 0.94 -1.48 -0.08 0.00 -0.26 0.00 0.00 60.65 59.77 1wx7 s ILE 18 Cb -0.23 -3.24 -0.04 0.00 1.25 0.00 0.00 42.46 40.20 1wx7 s ILE 18 CO 0.30 -0.29 0.15 -0.75 0.24 0.00 0.00 174.94 174.58 1wx7 s LYS 19 N -3.86 3.54 -0.11 0.37 2.36 -1.26 -0.26 119.74 120.52 1wx7 s LYS 19 Ca 0.35 -0.12 -0.01 0.00 -2.55 0.00 0.00 55.97 53.64 1wx7 s LYS 19 Cb -0.07 -3.22 0.03 0.00 -1.05 0.00 0.00 37.83 33.53 1wx7 s LYS 19 CO 0.25 0.72 -0.04 0.08 1.55 0.00 0.00 175.35 177.91 1wx7 s VAL 20 N -0.87 0.76 -0.24 4.02 1.01 0.99 -2.16 120.40 123.91 1wx7 s VAL 20 Ca 0.15 -0.19 -0.19 0.00 0.00 0.00 0.00 61.98 61.74 1wx7 s VAL 20 Cb -0.12 -0.88 -0.02 0.00 0.00 0.00 0.00 36.38 35.36 1wx7 s VAL 20 CO 0.04 0.27 0.58 -0.89 0.00 0.00 0.00 175.10 175.10 1wx7 s THR 21 N 1.81 5.03 -0.39 3.92 2.01 -0.75 0.14 115.64 127.41 1wx7 s THR 21 Ca 0.04 1.05 -0.19 0.00 0.31 0.00 0.00 61.69 62.90 1wx7 s THR 21 Cb -0.13 -3.89 0.01 0.00 0.01 0.00 0.00 72.50 68.50 1wx7 s THR 21 CO -0.07 0.08 0.55 -0.69 -0.69 0.00 0.00 174.62 173.80 1wx7 s VAL 22 N 2.23 4.95 -0.45 3.82 1.01 0.55 0.23 120.40 132.75 1wx7 s VAL 22 Ca 0.25 0.16 -0.18 0.00 0.00 0.00 0.00 61.98 62.21 1wx7 s VAL 22 Cb -0.16 -4.07 0.03 0.00 0.00 0.00 0.00 36.38 32.19 1wx7 s VAL 22 CO 0.09 -0.39 0.50 -0.54 0.00 0.00 0.00 175.10 174.76 1wx7 s LYS 23 N 2.52 3.11 0.21 2.72 1.02 0.73 -2.22 119.74 127.83 1wx7 s LYS 23 Ca 0.19 -0.80 0.08 0.00 0.02 0.00 0.00 55.97 55.46 1wx7 s LYS 23 Cb -0.15 -4.01 -0.04 0.00 -0.52 0.00 0.00 37.83 33.11 1wx7 s LYS 23 CO 0.15 -0.97 -0.00 0.95 -0.92 0.00 0.00 175.35 174.56 1wx7 s THR 24 N 2.28 3.60 -2.00 2.17 -4.23 0.12 0.16 115.64 117.74 1wx7 s THR 24 Ca 0.13 -1.61 0.09 0.00 -1.18 0.00 0.00 61.69 59.12 1wx7 s THR 24 Cb -0.18 -2.85 0.25 0.00 1.34 0.00 0.00 72.50 71.06 1wx7 s THR 24 CO 0.13 -0.21 0.97 -0.81 -0.54 0.00 0.00 174.62 174.16 1wx7 n PRO 25 N -0.41 0.49 0.00 3.99 -0.04 -1.26 -2.51 135.00 135.26 1wx7 n PRO 25 Ca -0.09 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.37 1wx7 n PRO 25 Cb 0.57 -1.28 0.00 0.00 -0.04 0.00 0.00 33.50 32.74 1wx7 n PRO 25 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1wx7 n LYS 26 N -0.78 2.38 -3.99 0.54 4.76 -1.26 -5.13 118.16 114.68 1wx7 n LYS 26 Ca 0.07 0.00 0.02 0.00 -2.87 0.00 0.00 58.31 55.52 1wx7 n LYS 26 Cb 0.03 -0.85 0.01 0.00 -1.84 0.00 0.00 35.03 32.38 1wx7 n LYS 26 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1wx7 s ASP 27 N -1.99 0.01 -0.11 4.39 1.01 -1.04 -5.17 116.67 113.76 1wx7 s ASP 27 Ca 0.00 -0.28 -0.08 0.00 0.71 0.00 0.00 52.55 52.90 1wx7 s ASP 27 Cb 0.00 0.20 0.04 0.00 1.01 0.00 0.00 42.92 44.17 1wx7 s ASP 27 CO 0.00 -0.40 0.28 -1.59 0.21 0.00 0.00 175.17 173.67 1wx7 s LYS 28 N -2.02 0.29 0.02 8.23 0.00 -1.26 0.11 119.74 125.11 1wx7 s LYS 28 Ca 0.29 0.47 -0.00 0.00 0.00 0.00 0.00 55.97 56.72 1wx7 s LYS 28 Cb -0.01 0.05 -0.02 0.00 0.00 0.00 0.00 37.83 37.85 1wx7 s LYS 28 CO 0.00 -0.09 -0.02 -2.00 0.00 0.00 0.00 175.35 173.25 1wx7 s GLU 29 N 0.61 0.35 -0.09 1.78 2.56 -0.94 -4.97 118.70 117.99 1wx7 s GLU 29 Ca -0.04 -0.66 -0.12 0.00 0.00 0.00 0.00 54.97 54.14 1wx7 s GLU 29 Cb -0.05 0.13 -0.05 0.00 2.00 0.00 0.00 34.13 36.16 1wx7 s GLU 29 CO -0.04 -0.06 0.30 -0.51 -0.56 0.00 0.00 175.26 174.39 1wx7 s ASP 30 N -1.61 6.56 0.32 -1.70 1.01 -1.26 -0.33 116.67 119.66 1wx7 s ASP 30 Ca -0.13 0.66 0.10 0.00 0.71 0.00 0.00 52.55 53.89 1wx7 s ASP 30 Cb -0.08 -2.18 -0.06 0.00 1.01 0.00 0.00 42.92 41.61 1wx7 s ASP 30 CO -0.02 0.26 -0.13 -0.36 0.21 0.00 0.00 175.17 175.13 1wx7 s PHE 31 N -0.45 2.38 -0.17 4.23 0.40 0.12 -4.94 117.98 119.54 1wx7 s PHE 31 Ca 0.19 -0.43 -0.00 0.00 -0.60 0.00 0.00 56.93 56.08 1wx7 s PHE 31 Cb -0.14 -1.25 0.04 0.00 0.51 0.00 0.00 43.02 42.18 1wx7 s PHE 31 CO 0.07 0.63 -0.05 -1.54 0.70 0.00 0.00 175.22 175.03 1wx7 s SER 32 N -3.58 2.95 0.06 1.36 1.04 -1.26 -0.01 113.70 114.26 1wx7 s SER 32 Ca 0.32 -0.73 -0.16 0.00 0.48 0.00 0.00 55.95 55.86 1wx7 s SER 32 Cb -0.00 -0.93 0.03 0.00 0.10 0.00 0.00 66.02 65.21 1wx7 s SER 32 CO 0.16 -0.19 0.38 0.68 0.98 0.00 0.00 173.24 175.24 1wx7 s VAL 33 N 1.61 0.07 0.41 5.02 -7.23 0.64 -4.94 120.40 115.98 1wx7 s VAL 33 Ca -0.00 -0.56 -0.25 0.00 -1.81 0.00 0.00 61.98 59.36 1wx7 s VAL 33 Cb -0.16 -1.00 -0.08 0.00 0.56 0.00 0.00 36.38 35.70 1wx7 s VAL 33 CO -0.08 -0.31 1.22 0.42 -0.31 0.00 0.00 175.10 176.05 1wx7 s THR 34 N -2.76 2.93 0.54 5.32 -4.23 -1.26 0.23 115.64 116.42 1wx7 s THR 34 Ca -0.04 0.78 0.28 0.00 -1.18 0.00 0.00 61.69 61.53 1wx7 s THR 34 Cb -0.00 -3.44 0.42 0.00 1.34 0.00 0.00 72.50 70.81 1wx7 s THR 34 CO -0.04 0.08 1.96 -2.24 -0.54 0.00 0.00 174.62 173.83 1wx7 h ASP 35 N 2.55 0.00 0.90 3.99 2.03 -1.71 0.46 116.42 124.64 1wx7 h ASP 35 Ca -0.49 0.00 -0.02 0.00 -0.73 0.00 0.00 57.03 55.79 1wx7 h ASP 35 Cb 1.24 0.00 -0.00 0.00 -0.83 0.00 0.00 39.33 39.74 1wx7 h ASP 35 CO 0.62 0.00 -0.11 0.00 -1.03 0.00 0.00 179.24 178.72 1wx7 h THR 36 N 0.00 0.30 -2.57 1.15 1.03 -1.90 -2.19 112.91 108.72 1wx7 h THR 36 Ca 0.28 -0.77 -0.60 0.00 -0.01 0.00 0.00 66.41 65.31 1wx7 h THR 36 Cb 1.20 1.60 0.14 0.00 -1.07 0.00 0.00 68.15 70.01 1wx7 h THR 36 CO -0.00 0.11 -0.20 0.00 -0.01 0.00 0.00 175.52 175.41 1wx7 s THR 38 N -1.39 4.98 0.15 0.00 -4.23 -1.26 -1.58 115.64 112.31 1wx7 s THR 38 Ca 0.64 -0.56 -0.16 0.00 -1.18 0.00 0.00 61.69 60.42 1wx7 s THR 38 Cb -0.59 -3.81 0.02 0.00 1.34 0.00 0.00 72.50 69.46 1wx7 s THR 38 CO 0.57 -0.49 1.81 0.40 -0.54 0.00 0.00 174.62 176.37 1wx7 h ILE 39 N 0.78 1.11 -0.37 2.99 1.08 -1.68 -2.12 117.51 119.30 1wx7 h ILE 39 Ca -0.50 -0.22 -0.00 0.00 -0.39 0.00 0.00 64.86 63.75 1wx7 h ILE 39 Cb 1.23 0.52 -0.02 0.00 -3.07 0.00 0.00 36.82 35.47 1wx7 h ILE 39 CO 0.61 0.11 0.21 0.06 -0.69 0.00 0.00 178.15 178.45 1wx7 h GLN 40 N 0.56 0.50 -0.55 2.37 -0.00 -1.86 -1.97 115.11 114.16 1wx7 h GLN 40 Ca 0.15 -0.04 -0.09 0.00 -0.00 0.00 0.00 58.65 58.67 1wx7 h GLN 40 Cb -0.05 -0.11 -0.02 0.00 -0.00 0.00 0.00 27.48 27.30 1wx7 h GLN 40 CO -0.03 0.36 -0.03 1.96 -0.00 0.00 0.00 178.83 181.09 1wx7 h GLN 41 N 0.51 0.96 -0.57 0.06 4.20 -1.76 -2.97 115.11 115.54 1wx7 h GLN 41 Ca 0.13 -0.31 -0.10 0.00 0.06 0.00 0.00 58.65 58.44 1wx7 h GLN 41 Cb 0.00 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 27.67 1wx7 h GLN 41 CO -0.02 0.97 -0.04 1.25 -0.67 0.00 0.00 178.83 180.31 1wx7 h LEU 42 N 0.88 1.02 -0.44 1.46 5.85 -0.89 -3.18 115.31 120.01 1wx7 h LEU 42 Ca 0.16 -0.32 0.08 0.00 0.84 0.00 0.00 57.88 58.63 1wx7 h LEU 42 Cb 0.56 -0.28 -0.10 0.00 0.37 0.00 0.00 40.66 41.22 1wx7 h LEU 42 CO 0.03 1.10 -0.35 0.11 -0.34 0.00 0.00 178.44 178.99 1wx7 h LYS 43 N 0.92 -0.25 0.00 1.25 1.79 -1.27 0.87 116.57 119.88 1wx7 h LYS 43 Ca 0.16 0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.64 1wx7 h LYS 43 Cb 0.60 0.06 0.00 0.00 -1.58 0.00 0.00 32.23 31.31 1wx7 h LYS 43 CO 0.04 -0.16 0.19 0.93 -1.08 0.00 0.00 179.45 179.36 1wx7 h GLU 44 N -0.25 0.00 0.05 3.15 5.08 -1.56 0.34 114.58 121.39 1wx7 h GLU 44 Ca 0.17 0.00 -0.25 0.00 -1.00 0.00 0.00 59.36 58.28 1wx7 h GLU 44 Cb 0.55 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.78 1wx7 h GLU 44 CO -0.57 0.00 -1.36 0.93 -1.00 0.00 0.00 179.01 177.01 1wx7 h GLU 45 N 0.00 0.10 0.00 2.33 4.39 0.59 -3.36 114.58 118.62 1wx7 h GLU 45 Ca 0.00 -0.17 0.00 0.00 0.34 0.00 0.00 59.36 59.53 1wx7 h GLU 45 Cb 0.37 0.06 0.00 0.00 -0.10 0.00 0.00 28.75 29.08 1wx7 h GLU 45 CO 0.00 1.08 0.00 -0.84 -1.16 0.00 0.00 179.01 178.09 1wx7 h ILE 46 N -0.66 0.00 -0.41 3.13 3.07 0.24 -3.02 117.51 119.87 1wx7 h ILE 46 Ca -0.33 -0.38 -0.09 0.00 1.55 0.00 0.00 64.86 65.61 1wx7 h ILE 46 Cb 1.51 1.25 -0.02 0.00 -0.27 0.00 0.00 36.82 39.30 1wx7 h ILE 46 CO -0.09 0.00 -0.11 0.28 -1.05 0.00 0.00 178.15 177.18 1wx7 h SER 47 N 0.00 0.71 0.56 2.16 0.02 -0.51 0.15 113.55 116.64 1wx7 h SER 47 Ca 0.00 -0.20 -0.28 0.00 -0.84 0.00 0.00 61.79 60.46 1wx7 h SER 47 Cb 0.57 -0.19 -0.04 0.00 0.14 0.00 0.00 62.40 62.88 1wx7 h SER 47 CO 0.00 0.85 -1.56 0.06 -1.14 0.00 0.00 176.83 175.04 1wx7 h GLN 48 N 0.66 0.07 -0.01 3.45 3.07 -1.71 0.39 115.11 121.03 1wx7 h GLN 48 Ca 0.11 -0.11 -0.16 0.00 0.09 0.00 0.00 58.65 58.58 1wx7 h GLN 48 Cb 0.56 0.04 -0.02 0.00 0.08 0.00 0.00 27.48 28.15 1wx7 h GLN 48 CO 0.03 0.77 -0.72 0.00 0.09 0.00 0.00 178.83 179.00 1wx7 h ARG 49 N 0.02 0.09 0.00 0.06 2.47 -1.43 -3.26 114.38 112.32 1wx7 h ARG 49 Ca -0.23 -0.08 0.00 0.00 -1.26 0.00 0.00 59.98 58.41 1wx7 h ARG 49 Cb 1.97 0.02 0.00 0.00 -1.65 0.00 0.00 29.97 30.30 1wx7 h ARG 49 CO 0.10 0.77 -0.76 1.19 0.56 0.00 0.00 179.97 181.84 1wx7 n PHE 50 N -3.72 0.00 -3.01 3.04 3.72 0.52 -5.02 117.46 112.99 1wx7 n PHE 50 Ca -0.02 0.00 -0.12 0.00 -0.05 0.00 0.00 57.45 57.26 1wx7 n PHE 50 Cb 0.70 -0.06 0.06 0.00 -0.94 0.00 0.00 39.48 39.25 1wx7 n PHE 50 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 1wx7 n LYS 51 N -1.41 -4.67 -3.71 -1.08 4.76 0.11 -5.02 118.16 107.14 1wx7 n LYS 51 Ca 0.01 0.59 -0.15 0.00 -2.87 0.00 0.00 58.31 55.89 1wx7 n LYS 51 Cb 0.21 -4.84 -0.15 0.00 -1.84 0.00 0.00 35.03 28.41 1wx7 n LYS 51 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1wx7 s ALA 52 N -3.25 -0.16 0.24 7.82 0.00 0.51 -5.00 121.76 121.92 1wx7 s ALA 52 Ca 0.03 0.57 -0.29 0.00 0.00 0.00 0.00 51.96 52.27 1wx7 s ALA 52 Cb -0.01 -0.59 -0.16 0.00 0.00 0.00 0.00 23.12 22.36 1wx7 s ALA 52 CO 0.51 -0.34 0.82 1.58 0.00 0.00 0.00 175.76 178.33 1wx7 n HIS 53 N 4.72 0.52 0.91 0.00 -0.00 -1.26 -4.09 115.22 116.02 1wx7 n HIS 53 Ca -0.16 0.82 0.08 0.00 0.46 0.00 0.00 57.72 58.91 1wx7 n HIS 53 Cb 0.51 -2.13 0.44 0.00 -0.12 0.00 0.00 29.99 28.69 1wx7 n HIS 53 CO 0.00 0.00 0.00 -0.35 0.46 0.00 0.00 176.34 176.45 1wx7 n PRO 54 N 0.93 0.42 0.00 1.57 -0.04 -1.26 -2.11 135.00 134.50 1wx7 n PRO 54 Ca 0.14 0.04 0.14 0.00 -0.04 0.00 0.00 63.50 63.77 1wx7 n PRO 54 Cb 0.28 -1.50 0.47 0.00 -0.04 0.00 0.00 33.50 32.71 1wx7 n PRO 54 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1wx7 n ASP 55 N -1.07 1.30 0.00 3.54 2.03 -1.26 -4.20 116.55 116.88 1wx7 n ASP 55 Ca 0.11 -1.25 0.00 0.00 0.52 0.00 0.00 54.79 54.16 1wx7 n ASP 55 Cb 0.07 0.05 0.00 0.00 -0.72 0.00 0.00 41.12 40.52 1wx7 n ASP 55 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1wx7 n GLN 56 N -0.16 0.67 -1.59 -0.67 10.64 -0.90 -5.04 117.38 120.34 1wx7 n GLN 56 Ca 0.16 0.00 -0.52 0.00 -1.83 0.00 0.00 57.00 54.81 1wx7 n GLN 56 Cb 0.35 -0.97 -0.06 0.00 -0.86 0.00 0.00 30.24 28.70 1wx7 n GLN 56 CO 0.00 0.00 0.00 1.28 -1.83 0.00 0.00 177.06 176.51 1wx7 n LEU 57 N -2.34 1.61 -4.03 2.61 4.77 -1.16 -3.24 117.00 115.22 1wx7 n LEU 57 Ca 0.00 1.12 -0.30 0.00 -0.03 0.00 0.00 56.01 56.80 1wx7 n LEU 57 Cb 0.47 -1.18 -0.17 0.00 -2.33 0.00 0.00 43.42 40.21 1wx7 n LEU 57 CO 0.00 -1.06 -0.49 -0.69 -1.33 0.00 0.00 177.39 173.83 1wx7 s VAL 58 N 0.56 1.55 -0.07 4.08 1.01 -0.62 -4.96 120.40 121.95 1wx7 s VAL 58 Ca 0.85 -0.63 -0.12 0.00 0.00 0.00 0.00 61.98 62.08 1wx7 s VAL 58 Cb -0.97 -1.44 -0.05 0.00 0.00 0.00 0.00 36.38 33.92 1wx7 s VAL 58 CO 0.48 0.45 0.31 -0.76 0.00 0.00 0.00 175.10 175.58 1wx7 s LEU 59 N 1.37 4.40 -0.09 3.92 1.43 -1.26 0.16 118.68 128.62 1wx7 s LEU 59 Ca 0.02 0.74 -0.01 0.00 -1.03 0.00 0.00 54.13 53.85 1wx7 s LEU 59 Cb -0.13 -2.40 0.03 0.00 0.03 0.00 0.00 46.19 43.71 1wx7 s LEU 59 CO -0.08 0.30 -0.04 -0.63 0.23 0.00 0.00 176.35 176.13 1wx7 s ILE 60 N -0.74 0.68 -0.02 -0.59 1.01 -0.99 -3.00 121.20 117.55 1wx7 s ILE 60 Ca 0.20 -0.09 -0.03 0.00 0.00 0.00 0.00 60.65 60.74 1wx7 s ILE 60 Cb -0.15 -0.76 0.01 0.00 0.01 0.00 0.00 42.46 41.57 1wx7 s ILE 60 CO 0.09 0.30 0.07 0.12 0.00 0.00 0.00 174.94 175.53 1wx7 s PHE 61 N 1.72 -0.06 -1.58 3.97 2.19 -0.83 -2.76 117.98 120.64 1wx7 s PHE 61 Ca 0.03 0.15 0.00 0.00 0.33 0.00 0.00 56.93 57.44 1wx7 s PHE 61 Cb -0.13 0.01 0.00 0.00 -1.31 0.00 0.00 43.02 41.60 1wx7 s PHE 61 CO -0.06 -0.06 0.00 0.00 1.83 0.00 0.00 175.22 176.93 1wx7 n ALA 62 N 2.89 -0.63 -1.90 11.12 0.00 -1.26 -0.80 120.51 129.93 1wx7 n ALA 62 Ca -0.13 0.16 -0.13 0.00 0.00 0.00 0.00 53.44 53.34 1wx7 n ALA 62 Cb 0.59 -1.95 -0.03 0.00 0.00 0.00 0.00 19.45 18.07 1wx7 n ALA 62 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1wx7 n GLY 63 N -0.88 0.46 3.06 0.00 0.00 -1.26 -5.00 105.19 101.57 1wx7 n GLY 63 Ca -0.21 -0.38 -0.13 0.00 0.00 0.00 0.00 46.02 45.31 1wx7 n GLY 63 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1wx7 s LYS 64 N -4.02 0.21 -0.17 1.61 -2.85 0.02 -5.12 119.74 109.42 1wx7 s LYS 64 Ca 0.00 0.39 -0.29 0.00 -1.00 0.00 0.00 55.97 55.07 1wx7 s LYS 64 Cb 0.00 -0.01 -0.04 0.00 -2.06 0.00 0.00 37.83 35.72 1wx7 s LYS 64 CO 0.00 -0.10 1.66 0.42 0.10 0.00 0.00 175.35 177.43 1wx7 s ILE 65 N 0.69 3.63 0.52 3.79 -1.09 -1.26 -1.96 121.20 125.52 1wx7 s ILE 65 Ca -0.05 0.72 -0.21 0.00 -2.23 0.00 0.00 60.65 58.88 1wx7 s ILE 65 Cb -0.06 -3.59 -0.08 0.00 -1.58 0.00 0.00 42.46 37.15 1wx7 s ILE 65 CO -0.04 -0.21 0.92 0.18 -1.23 0.00 0.00 174.94 174.57 1wx7 n LEU 66 N 8.21 2.83 -4.86 2.97 4.77 -1.16 -4.98 117.00 124.77 1wx7 n LEU 66 Ca 0.19 0.89 -0.28 0.00 -0.03 0.00 0.00 56.01 56.78 1wx7 n LEU 66 Cb 0.44 -1.35 -0.05 0.00 -2.33 0.00 0.00 43.42 40.14 1wx7 n LEU 66 CO 0.64 -1.86 -0.18 -0.54 -1.33 0.00 0.00 177.39 174.12 1wx7 s LYS 67 N -2.35 3.18 0.08 3.23 -0.14 -1.26 -4.91 119.74 117.57 1wx7 s LYS 67 Ca 0.69 -0.64 -0.31 0.00 -1.36 0.00 0.00 55.97 54.35 1wx7 s LYS 67 Cb -0.48 -2.85 -0.16 0.00 -1.68 0.00 0.00 37.83 32.66 1wx7 s LYS 67 CO 0.52 0.55 1.63 -0.44 -0.76 0.00 0.00 175.35 176.85 1wx7 h ASP 68 N 2.72 -0.77 0.00 2.83 5.19 -1.95 -1.81 116.42 122.62 1wx7 h ASP 68 Ca -0.47 0.05 0.00 0.00 -0.62 0.00 0.00 57.03 55.99 1wx7 h ASP 68 Cb 1.18 0.23 0.00 0.00 0.18 0.00 0.00 39.33 40.92 1wx7 h ASP 68 CO 0.69 -0.48 0.00 -0.81 -3.12 0.00 0.00 179.24 175.51 1wx7 n PRO 69 N -5.44 0.49 -3.57 3.56 -0.04 -1.26 -3.34 135.00 125.40 1wx7 n PRO 69 Ca -0.11 0.00 -0.41 0.00 -0.04 0.00 0.00 63.50 62.94 1wx7 n PRO 69 Cb 0.34 -1.30 -0.09 0.00 -0.04 0.00 0.00 33.50 32.41 1wx7 n PRO 69 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1wx7 s ASP 70 N -1.80 5.68 1.03 3.54 1.11 -0.68 -5.04 116.67 120.51 1wx7 s ASP 70 Ca 0.14 -1.76 -0.11 0.00 0.18 0.00 0.00 52.55 51.00 1wx7 s ASP 70 Cb 0.06 -2.00 0.21 0.00 1.07 0.00 0.00 42.92 42.26 1wx7 s ASP 70 CO 0.11 -0.64 1.09 -0.94 1.18 0.00 0.00 175.17 175.97 1wx7 s SER 71 N 2.47 2.02 0.38 0.27 1.04 -1.26 -3.97 113.70 114.65 1wx7 s SER 71 Ca 0.05 1.92 0.16 0.00 0.48 0.00 0.00 55.95 58.55 1wx7 s SER 71 Cb -0.25 -2.47 1.03 0.00 0.10 0.00 0.00 66.02 64.43 1wx7 s SER 71 CO 0.00 -3.62 1.79 -0.07 0.98 0.00 0.00 173.24 172.32 1wx7 h LEU 72 N -2.23 0.51 -0.65 2.42 3.38 -0.69 0.52 115.31 118.58 1wx7 h LEU 72 Ca -0.51 0.08 -0.14 0.00 0.09 0.00 0.00 57.88 57.40 1wx7 h LEU 72 Cb 1.30 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 42.02 1wx7 h LEU 72 CO 0.45 0.14 -0.64 0.00 0.09 0.00 0.00 178.44 178.47 1wx7 h ALA 73 N 1.63 0.87 -0.03 1.53 0.00 -1.59 0.92 119.26 122.59 1wx7 h ALA 73 Ca 0.57 -0.59 -0.16 0.00 0.00 0.00 0.00 54.91 54.73 1wx7 h ALA 73 Cb 1.32 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.99 1wx7 h ALA 73 CO -0.29 0.81 -0.70 1.96 0.00 0.00 0.00 179.25 181.02 1wx7 h GLN 74 N 0.00 0.17 0.00 0.00 4.20 -0.30 -3.10 115.11 116.08 1wx7 h GLN 74 Ca -0.01 -0.14 -0.09 0.00 0.06 0.00 0.00 58.65 58.47 1wx7 h GLN 74 Cb 1.18 0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.98 1wx7 h GLN 74 CO 0.08 0.80 -0.56 0.00 -0.67 0.00 0.00 178.83 178.48 1wx7 n GLY 76 N 1.22 1.19 3.79 0.00 0.00 -0.87 -4.88 105.19 105.64 1wx7 n GLY 76 Ca 0.01 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.67 1wx7 n GLY 76 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1wx7 s VAL 77 N -2.00 3.67 0.35 1.61 1.01 0.31 -4.97 120.40 120.39 1wx7 s VAL 77 Ca 0.00 1.18 0.03 0.00 0.00 0.00 0.00 61.98 63.19 1wx7 s VAL 77 Cb 0.00 -3.56 -0.01 0.00 0.00 0.00 0.00 36.38 32.81 1wx7 s VAL 77 CO 0.00 -0.09 0.41 -0.13 0.00 0.00 0.00 175.10 175.29 1wx7 s ARG 78 N -2.80 1.91 -0.70 2.72 1.81 -1.26 -4.08 118.95 116.55 1wx7 s ARG 78 Ca 0.62 -1.92 -0.26 0.00 -1.72 0.00 0.00 55.73 52.45 1wx7 s ARG 78 Cb -0.21 0.40 -0.01 0.00 -0.45 0.00 0.00 34.95 34.68 1wx7 s ARG 78 CO 0.25 -0.76 1.74 0.34 -0.68 0.00 0.00 175.30 176.19 1wx7 s ASP 79 N -3.32 5.48 0.00 0.23 -1.08 -1.26 -2.22 116.67 114.50 1wx7 s ASP 79 Ca 0.35 -0.07 0.00 0.00 -0.52 0.00 0.00 52.55 52.31 1wx7 s ASP 79 Cb 0.00 -2.54 0.00 0.00 -1.46 0.00 0.00 42.92 38.92 1wx7 s ASP 79 CO 0.25 -2.29 0.00 0.61 0.52 0.00 0.00 175.17 174.26 1wx7 n GLY 80 N 5.89 1.34 3.95 2.66 0.00 -0.92 -4.80 105.19 113.31 1wx7 n GLY 80 Ca 0.21 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.99 1wx7 n GLY 80 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1wx7 s LEU 81 N 0.00 3.21 0.18 0.99 1.43 -0.94 -4.95 118.68 118.59 1wx7 s LEU 81 Ca 0.00 0.30 0.09 0.00 -1.03 0.00 0.00 54.13 53.49 1wx7 s LEU 81 Cb 0.00 -3.11 -0.04 0.00 0.03 0.00 0.00 46.19 43.06 1wx7 s LEU 81 CO 0.00 -1.17 -0.19 -0.89 0.23 0.00 0.00 176.35 174.33 1wx7 s THR 82 N -2.90 1.90 -0.14 5.49 2.01 -1.26 -1.81 115.64 118.93 1wx7 s THR 82 Ca 0.56 -1.98 -0.04 0.00 0.31 0.00 0.00 61.69 60.53 1wx7 s THR 82 Cb -0.10 -1.92 0.06 0.00 0.01 0.00 0.00 72.50 70.55 1wx7 s THR 82 CO 0.41 -0.33 0.15 -0.69 -0.69 0.00 0.00 174.62 173.48 1wx7 s VAL 83 N -2.12 -0.22 -0.54 3.82 1.01 0.14 -4.90 120.40 117.59 1wx7 s VAL 83 Ca 0.18 0.10 -0.27 0.00 0.00 0.00 0.00 61.98 61.98 1wx7 s VAL 83 Cb -0.05 -0.46 -0.01 0.00 0.00 0.00 0.00 36.38 35.86 1wx7 s VAL 83 CO 0.07 -0.06 1.70 -1.00 0.00 0.00 0.00 175.10 175.81 1wx7 s HIS 84 N 2.25 1.90 0.27 5.22 3.76 -1.11 -0.19 115.29 127.39 1wx7 s HIS 84 Ca 0.04 0.64 -0.09 0.00 -0.15 0.00 0.00 55.06 55.50 1wx7 s HIS 84 Cb -0.14 -4.20 -0.07 0.00 1.11 0.00 0.00 32.58 29.28 1wx7 s HIS 84 CO -0.08 -2.34 0.59 -1.17 -0.85 0.00 0.00 174.74 170.89 1wx7 s LEU 85 N 7.60 4.10 -0.20 0.89 2.96 0.43 -2.36 118.68 132.09 1wx7 s LEU 85 Ca 0.65 0.92 -0.04 0.00 -0.22 0.00 0.00 54.13 55.44 1wx7 s LEU 85 Cb -0.14 -3.71 0.07 0.00 0.50 0.00 0.00 46.19 42.90 1wx7 s LEU 85 CO 0.25 -0.15 0.08 -0.69 -1.32 0.00 0.00 176.35 174.52 1wx7 s VAL 86 N -1.95 0.11 -0.18 1.68 1.01 0.12 -4.14 120.40 117.05 1wx7 s VAL 86 Ca 0.47 -0.42 -0.29 0.00 0.00 0.00 0.00 61.98 61.74 1wx7 s VAL 86 Cb -0.11 -0.81 -0.00 0.00 0.00 0.00 0.00 36.38 35.46 1wx7 s VAL 86 CO 0.24 -0.36 1.08 -0.63 0.00 0.00 0.00 175.10 175.43 1wx7 s ILE 87 N 2.04 4.61 0.30 2.22 1.09 -1.26 -1.59 121.20 128.61 1wx7 s ILE 87 Ca 0.03 1.92 0.17 0.00 -1.10 0.00 0.00 60.65 61.67 1wx7 s ILE 87 Cb -0.16 -4.24 0.13 0.00 -1.06 0.00 0.00 42.46 37.12 1wx7 s ILE 87 CO -0.14 -0.13 1.81 0.11 -0.10 0.00 0.00 174.94 176.49 1wx7 h LYS 88 N 7.51 0.00 -6.03 2.79 1.79 -1.92 -3.47 116.57 117.25 1wx7 h LYS 88 Ca -0.23 0.00 -0.41 0.00 -2.18 0.00 0.00 60.65 57.82 1wx7 h LYS 88 Cb 1.09 0.00 0.07 0.00 -1.58 0.00 0.00 32.23 31.81 1wx7 h LYS 88 CO 0.95 0.36 -0.79 0.54 -1.08 0.00 0.00 179.45 179.43 1wx7 n ARG 89 N -3.81 -5.74 -1.87 3.15 5.12 -1.26 -4.89 116.66 107.35 1wx7 n ARG 89 Ca -0.01 0.68 -0.38 0.00 -1.93 0.00 0.00 57.85 56.21 1wx7 n ARG 89 Cb 0.43 -5.46 0.04 0.00 -1.16 0.00 0.00 32.46 26.31 1wx7 n ARG 89 CO 0.00 0.00 0.00 0.94 -1.93 0.00 0.00 177.63 176.64 1wx7 n GLN 90 N -4.43 2.80 -3.64 5.56 -0.06 -1.26 -4.89 117.38 111.47 1wx7 n GLN 90 Ca -0.19 -3.57 -0.20 0.00 -2.00 0.00 0.00 57.00 51.04 1wx7 n GLN 90 Cb 0.63 -2.27 -0.17 0.00 -4.06 0.00 0.00 30.24 24.37 1wx7 n GLN 90 CO 0.00 0.00 0.00 -1.58 -0.20 0.00 0.00 177.06 175.28 1wx7 s HIS 91 N -3.99 -0.01 -0.87 3.69 2.46 -1.26 -5.05 115.29 110.26 1wx7 s HIS 91 Ca 0.54 0.23 0.00 0.00 0.47 0.00 0.00 55.06 56.30 1wx7 s HIS 91 Cb 0.45 -0.45 0.25 0.00 -0.13 0.00 0.00 32.58 32.70 1wx7 s HIS 91 CO -0.33 -0.32 0.95 -2.13 -2.47 0.00 0.00 174.74 170.44 1wx7 n ARG 92 N 5.30 3.08 -3.83 2.88 0.63 -1.26 -5.01 116.66 118.46 1wx7 n ARG 92 Ca -0.05 -4.56 -0.02 0.00 -0.92 0.00 0.00 57.85 52.30 1wx7 n ARG 92 Cb 0.50 -2.39 0.01 0.00 0.45 0.00 0.00 32.46 31.02 1wx7 n ARG 92 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1wx7 s ALA 93 N -2.10 -1.73 -0.36 5.13 0.00 -1.26 -5.06 121.76 116.39 1wx7 s ALA 93 Ca 0.32 -0.08 0.06 0.00 0.00 0.00 0.00 51.96 52.26 1wx7 s ALA 93 Cb 0.03 0.70 0.44 0.00 0.00 0.00 0.00 23.12 24.29 1wx7 s ALA 93 CO -0.03 -1.06 1.19 -1.33 0.00 0.00 0.00 175.76 174.53 1wx7 n MET 94 N -0.63 3.52 0.00 0.00 2.81 -1.26 -5.08 117.12 116.48 1wx7 n MET 94 Ca -0.04 -4.26 0.00 0.00 -1.81 0.00 0.00 57.70 51.59 1wx7 n MET 94 Cb 0.60 -2.27 0.00 0.00 -0.71 0.00 0.00 33.22 30.84 1wx7 n MET 94 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1wx7 n GLY 95 N -0.63 0.92 2.77 3.03 0.00 -1.26 -4.75 105.19 105.26 1wx7 n GLY 95 Ca 0.43 -0.74 -0.18 0.00 0.00 0.00 0.00 46.02 45.53 1wx7 n GLY 95 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1wx7 s ASN 96 N -4.00 0.76 -0.08 1.61 3.84 -1.26 -5.11 114.94 110.69 1wx7 s ASN 96 Ca 0.00 0.20 -0.29 0.00 0.21 0.00 0.00 52.86 52.97 1wx7 s ASN 96 Cb 0.00 0.06 -0.07 0.00 -0.55 0.00 0.00 41.25 40.69 1wx7 s ASN 96 CO 0.00 -0.23 2.04 -1.61 -2.79 0.00 0.00 177.10 174.51 1wx7 s GLU 97 N 2.01 3.72 -0.14 0.43 2.02 -1.26 -4.93 118.70 120.55 1wx7 s GLU 97 Ca 0.01 2.31 -0.30 0.00 0.02 0.00 0.00 54.97 57.01 1wx7 s GLU 97 Cb -0.12 -4.24 0.13 0.00 0.10 0.00 0.00 34.13 30.00 1wx7 s GLU 97 CO -0.04 -1.43 1.01 0.00 0.02 0.00 0.00 175.26 174.82 1wx7 s PRO 99 N -1.55 4.20 -1.07 0.00 0.04 -1.26 -4.96 135.00 130.40 1wx7 s PRO 99 Ca 0.01 2.01 -0.11 0.00 0.04 0.00 0.00 61.00 62.95 1wx7 s PRO 99 Cb -0.01 -3.91 0.24 0.00 0.04 0.00 0.00 34.50 30.87 1wx7 s PRO 99 CO -0.01 -0.80 1.11 0.00 0.04 0.00 0.00 177.00 177.35 1wx7 s ALA 100 N 3.83 4.41 0.08 8.56 0.00 -1.26 -5.03 121.76 132.36 1wx7 s ALA 100 Ca 0.67 -3.60 -0.06 0.00 0.00 0.00 0.00 51.96 48.97 1wx7 s ALA 100 Cb -0.29 -3.69 -0.05 0.00 0.00 0.00 0.00 23.12 19.08 1wx7 s ALA 100 CO 0.25 -2.37 0.33 -1.12 0.00 0.00 0.00 175.76 172.85 1wx7 s SER 101 N 1.89 6.51 0.46 0.00 0.01 -1.26 -5.11 113.70 116.20 1wx7 s SER 101 Ca 0.31 0.59 0.06 0.00 1.31 0.00 0.00 55.95 58.22 1wx7 s SER 101 Cb -0.08 -2.10 -0.02 0.00 0.21 0.00 0.00 66.02 64.03 1wx7 s SER 101 CO -0.07 0.15 0.19 -0.83 0.41 0.00 0.00 173.24 173.09 1wx7 s GLY 102 N -2.08 2.49 0.93 3.44 0.00 -1.26 -5.13 107.32 105.71 1wx7 s GLY 102 Ca 0.35 -1.57 -0.12 0.00 0.00 0.00 0.00 44.72 43.38 1wx7 s GLY 102 CO 0.21 -1.99 1.09 2.56 0.00 0.00 0.00 173.10 174.98 1wx7 s PRO 103 N -3.98 0.98 0.56 2.90 0.04 -1.26 -5.07 135.00 129.18 1wx7 s PRO 103 Ca 0.32 0.72 0.03 0.00 0.04 0.00 0.00 61.00 62.12 1wx7 s PRO 103 Cb 0.02 -1.78 0.06 0.00 0.04 0.00 0.00 34.50 32.83 1wx7 s PRO 103 CO 0.18 -2.40 0.78 -1.54 0.04 0.00 0.00 177.00 174.06 1wx7 s SER 104 N -3.43 5.13 0.32 6.66 1.04 -1.26 -5.02 113.70 117.14 1wx7 s SER 104 Ca 0.64 -0.29 -0.23 0.00 0.48 0.00 0.00 55.95 56.55 1wx7 s SER 104 Cb -0.18 -0.48 -0.16 0.00 0.10 0.00 0.00 66.02 65.30 1wx7 s SER 104 CO 0.57 -1.24 0.24 -0.24 0.98 0.00 0.00 173.24 173.55 1wx7 n SER 105 N -2.33 -2.21 0.00 7.02 2.88 -1.26 -5.36 113.62 112.36 1wx7 n SER 105 Ca 0.11 0.91 0.00 0.00 -1.33 0.00 0.00 58.87 58.55 1wx7 n SER 105 Cb 0.60 -0.88 0.00 0.00 -0.75 0.00 0.00 64.21 63.18 1wx7 n SER 105 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42