#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 -0.27 0.37 1.61 1.04 -1.26 -5.17 113.70 110.02 1wx7 s SER 2 Ca 0.00 0.19 -0.04 0.00 0.48 0.00 0.00 55.95 56.58 1wx7 s SER 2 Cb 0.00 0.24 -0.04 0.00 0.10 0.00 0.00 66.02 66.32 1wx7 s SER 2 CO 0.00 -0.32 0.64 -0.55 0.98 0.00 0.00 173.24 173.99 1wx7 s SER 3 N -1.55 6.36 0.00 7.02 0.15 -1.26 -5.04 113.70 119.38 1wx7 s SER 3 Ca 0.03 0.74 0.00 0.00 0.70 0.00 0.00 55.95 57.42 1wx7 s SER 3 Cb -0.01 -2.16 0.00 0.00 -1.71 0.00 0.00 66.02 62.14 1wx7 s SER 3 CO -0.03 -0.35 0.00 0.61 1.20 0.00 0.00 173.24 174.67 1wx7 n GLY 4 N -1.58 4.23 3.52 9.45 0.00 -1.26 -5.17 105.19 114.38 1wx7 n GLY 4 Ca -0.02 -1.45 -0.09 0.00 0.00 0.00 0.00 46.02 44.47 1wx7 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wx7 s SER 5 N 0.00 -0.38 0.57 1.61 0.01 -1.26 -5.19 113.70 109.07 1wx7 s SER 5 Ca 0.00 0.13 0.07 0.00 1.31 0.00 0.00 55.95 57.46 1wx7 s SER 5 Cb 0.00 0.37 0.07 0.00 0.21 0.00 0.00 66.02 66.67 1wx7 s SER 5 CO 0.00 -0.55 0.57 -1.20 0.41 0.00 0.00 173.24 172.47 1wx7 n SER 6 N 0.04 2.54 0.00 2.44 7.64 -1.26 -5.13 113.62 119.90 1wx7 n SER 6 Ca -0.09 -2.79 0.00 0.00 1.01 0.00 0.00 58.87 57.00 1wx7 n SER 6 Cb 0.61 -0.19 0.00 0.00 -1.01 0.00 0.00 64.21 63.62 1wx7 n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wx7 n GLY 7 N -1.90 4.62 3.63 0.23 0.00 -1.26 -5.18 105.19 105.32 1wx7 n GLY 7 Ca 0.05 -0.78 -0.08 0.00 0.00 0.00 0.00 46.02 45.22 1wx7 n GLY 7 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wx7 s SER 8 N 0.00 -0.32 1.10 1.61 0.01 -1.26 -5.18 113.70 109.66 1wx7 s SER 8 Ca 0.00 0.54 -0.15 0.00 1.31 0.00 0.00 55.95 57.65 1wx7 s SER 8 Cb 0.00 0.52 0.24 0.00 0.21 0.00 0.00 66.02 66.99 1wx7 s SER 8 CO 0.00 -0.16 1.10 -2.16 0.41 0.00 0.00 173.24 172.43 1wx7 s PRO 9 N -0.23 -0.37 -0.23 12.44 0.04 -1.26 -5.09 135.00 140.30 1wx7 s PRO 9 Ca 0.03 0.24 -0.28 0.00 0.04 0.00 0.00 61.00 61.04 1wx7 s PRO 9 Cb -0.04 -1.67 0.14 0.00 0.04 0.00 0.00 34.50 32.98 1wx7 s PRO 9 CO -0.06 -3.21 1.12 0.00 0.04 0.00 0.00 177.00 174.89 1wx7 s ALA 10 N -2.98 -2.01 0.02 8.56 0.00 -1.26 -5.07 121.76 119.03 1wx7 s ALA 10 Ca 0.68 1.73 -0.22 0.00 0.00 0.00 0.00 51.96 54.15 1wx7 s ALA 10 Cb -0.15 -1.18 -0.16 0.00 0.00 0.00 0.00 23.12 21.63 1wx7 s ALA 10 CO 0.57 -0.25 1.33 -1.00 0.00 0.00 0.00 175.76 176.41 1wx7 h PRO 11 N 3.04 0.27 -3.95 0.00 0.13 -2.07 -3.46 132.00 125.95 1wx7 h PRO 11 Ca -0.21 -0.14 -0.40 0.00 -0.87 0.00 0.00 66.00 64.39 1wx7 h PRO 11 Cb 1.17 0.00 0.12 0.00 0.13 0.00 0.00 31.00 32.42 1wx7 h PRO 11 CO 0.22 0.67 -0.74 1.33 -0.23 0.00 0.00 178.00 179.25 1wx7 n VAL 12 N -4.63 0.06 -0.92 1.56 0.24 -1.26 -4.69 118.33 108.69 1wx7 n VAL 12 Ca -0.07 -0.33 -0.30 0.00 -2.04 0.00 0.00 64.34 61.61 1wx7 n VAL 12 Cb 0.33 0.00 0.01 0.00 -1.47 0.00 0.00 33.84 32.71 1wx7 n VAL 12 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1wx7 n GLN 13 N 0.97 0.00 -4.05 7.34 -0.00 -1.26 -4.99 117.38 115.39 1wx7 n GLN 13 Ca 0.06 0.00 -0.12 0.00 -0.00 0.00 0.00 57.00 56.94 1wx7 n GLN 13 Cb 0.30 -0.78 -0.11 0.00 -0.00 0.00 0.00 30.24 29.65 1wx7 n GLN 13 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.06 177.22 1wx7 s ASP 14 N -0.78 0.74 0.00 2.61 1.47 -1.26 -5.09 116.67 114.36 1wx7 s ASP 14 Ca 0.41 -0.57 0.00 0.00 1.18 0.00 0.00 52.55 53.56 1wx7 s ASP 14 Cb -0.32 0.06 0.00 0.00 -0.34 0.00 0.00 42.92 42.32 1wx7 s ASP 14 CO 0.55 -0.25 0.00 -0.81 0.68 0.00 0.00 175.17 175.35 1wx7 n PRO 15 N 1.38 0.00 -0.50 2.11 -0.04 -1.26 -4.68 135.00 132.01 1wx7 n PRO 15 Ca -0.22 0.00 0.04 0.00 -0.04 0.00 0.00 63.50 63.28 1wx7 n PRO 15 Cb 0.55 -0.23 0.20 0.00 -0.04 0.00 0.00 33.50 33.98 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 0.57 -1.56 0.54 8.25 -1.26 -5.00 115.22 116.76 1wx7 n HIS 16 Ca 0.00 -1.26 -0.38 0.00 -0.26 0.00 0.00 57.72 55.82 1wx7 n HIS 16 Cb 0.00 -0.32 -0.03 0.00 1.12 0.00 0.00 29.99 30.76 1wx7 n HIS 16 CO 0.00 0.00 0.00 -0.11 0.64 0.00 0.00 176.34 176.87 1wx7 n LEU 17 N -1.06 2.46 -4.99 2.41 -0.00 -1.26 -2.32 117.00 112.25 1wx7 n LEU 17 Ca 0.23 -0.31 -0.20 0.00 -0.00 0.00 0.00 56.01 55.72 1wx7 n LEU 17 Cb 0.84 -1.55 0.03 0.00 -0.00 0.00 0.00 43.42 42.73 1wx7 n LEU 17 CO 0.09 -1.34 0.21 0.27 -0.00 0.00 0.00 177.39 176.62 1wx7 s ILE 18 N 11.19 2.28 -0.03 1.96 -4.36 0.22 -4.83 121.20 127.63 1wx7 s ILE 18 Ca 1.00 -1.14 0.02 0.00 -0.26 0.00 0.00 60.65 60.28 1wx7 s ILE 18 Cb -0.26 -2.41 -0.03 0.00 1.25 0.00 0.00 42.46 41.01 1wx7 s ILE 18 CO 0.29 0.00 -0.07 -0.75 0.24 0.00 0.00 174.94 174.65 1wx7 s LYS 19 N -4.47 2.64 -0.06 0.37 2.36 -1.26 -0.28 119.74 119.05 1wx7 s LYS 19 Ca 0.54 -0.64 -0.01 0.00 -2.55 0.00 0.00 55.97 53.31 1wx7 s LYS 19 Cb -0.06 -2.54 0.03 0.00 -1.05 0.00 0.00 37.83 34.21 1wx7 s LYS 19 CO 0.33 0.63 0.02 0.08 1.55 0.00 0.00 175.35 177.96 1wx7 s VAL 20 N -0.89 0.21 -0.25 4.02 1.01 0.84 -2.57 120.40 122.77 1wx7 s VAL 20 Ca 0.15 0.20 -0.17 0.00 0.00 0.00 0.00 61.98 62.15 1wx7 s VAL 20 Cb -0.11 -0.39 -0.03 0.00 0.00 0.00 0.00 36.38 35.85 1wx7 s VAL 20 CO 0.04 0.22 0.46 -0.89 0.00 0.00 0.00 175.10 174.93 1wx7 s THR 21 N 1.84 5.12 -0.40 3.92 2.01 -0.96 0.51 115.64 127.67 1wx7 s THR 21 Ca 0.02 0.77 -0.20 0.00 0.31 0.00 0.00 61.69 62.59 1wx7 s THR 21 Cb -0.12 -3.78 0.01 0.00 0.01 0.00 0.00 72.50 68.62 1wx7 s THR 21 CO -0.04 0.13 0.62 -0.69 -0.69 0.00 0.00 174.62 173.95 1wx7 s VAL 22 N 2.11 4.87 -0.43 3.82 1.01 0.83 0.08 120.40 132.70 1wx7 s VAL 22 Ca 0.19 0.28 -0.18 0.00 0.00 0.00 0.00 61.98 62.27 1wx7 s VAL 22 Cb -0.16 -4.14 0.02 0.00 0.00 0.00 0.00 36.38 32.11 1wx7 s VAL 22 CO 0.09 -0.47 0.46 -0.54 0.00 0.00 0.00 175.10 174.64 1wx7 s LYS 23 N 2.73 3.11 0.21 2.72 1.02 0.74 -2.09 119.74 128.19 1wx7 s LYS 23 Ca 0.23 -0.75 0.09 0.00 0.02 0.00 0.00 55.97 55.56 1wx7 s LYS 23 Cb -0.14 -3.97 -0.04 0.00 -0.52 0.00 0.00 37.83 33.15 1wx7 s LYS 23 CO 0.17 -0.88 -0.04 0.95 -0.92 0.00 0.00 175.35 174.63 1wx7 s THR 24 N 2.19 3.40 -2.00 2.17 -4.23 0.12 0.18 115.64 117.47 1wx7 s THR 24 Ca 0.13 -1.71 0.10 0.00 -1.18 0.00 0.00 61.69 59.02 1wx7 s THR 24 Cb -0.17 -2.74 0.28 0.00 1.34 0.00 0.00 72.50 71.20 1wx7 s THR 24 CO 0.14 -0.22 1.02 -0.81 -0.54 0.00 0.00 174.62 174.22 1wx7 n PRO 25 N -0.37 0.49 0.00 3.99 -0.04 -1.26 -2.51 135.00 135.30 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 -1.31 0.00 0.00 -0.04 0.00 0.00 33.50 32.72 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 -0.81 2.33 -3.97 0.54 4.76 -1.26 -5.13 118.16 114.62 1wx7 n LYS 26 Ca 0.07 0.00 0.02 0.00 -2.87 0.00 0.00 58.31 55.53 1wx7 n LYS 26 Cb 0.03 -0.86 0.01 0.00 -1.84 0.00 0.00 35.03 32.37 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 -2.01 0.00 -0.10 4.39 1.01 -1.04 -5.17 116.67 113.75 1wx7 s ASP 27 Ca 0.00 -0.26 -0.08 0.00 0.71 0.00 0.00 52.55 52.92 1wx7 s ASP 27 Cb 0.00 0.19 0.03 0.00 1.01 0.00 0.00 42.92 44.15 1wx7 s ASP 27 CO 0.00 -0.38 0.26 -1.59 0.21 0.00 0.00 175.17 173.66 1wx7 s LYS 28 N -2.04 0.27 0.03 8.23 0.00 -1.26 0.14 119.74 125.10 1wx7 s LYS 28 Ca 0.28 0.43 -0.00 0.00 0.00 0.00 0.00 55.97 56.68 1wx7 s LYS 28 Cb -0.01 0.05 -0.02 0.00 0.00 0.00 0.00 37.83 37.84 1wx7 s LYS 28 CO 0.00 -0.08 -0.03 -2.00 0.00 0.00 0.00 175.35 173.23 1wx7 s GLU 29 N 0.57 0.38 -0.00 1.78 2.56 -0.89 -4.97 118.70 118.13 1wx7 s GLU 29 Ca -0.04 -0.74 -0.11 0.00 0.00 0.00 0.00 54.97 54.09 1wx7 s GLU 29 Cb -0.05 0.11 -0.05 0.00 2.00 0.00 0.00 34.13 36.14 1wx7 s GLU 29 CO -0.03 -0.06 0.33 -0.51 -0.56 0.00 0.00 175.26 174.43 1wx7 s ASP 30 N -1.75 6.64 0.26 -1.70 1.01 -1.26 -0.12 116.67 119.74 1wx7 s ASP 30 Ca -0.11 0.76 0.07 0.00 0.71 0.00 0.00 52.55 53.98 1wx7 s ASP 30 Cb -0.07 -2.17 -0.05 0.00 1.01 0.00 0.00 42.92 41.64 1wx7 s ASP 30 CO -0.03 0.29 -0.08 -0.36 0.21 0.00 0.00 175.17 175.20 1wx7 s PHE 31 N -1.19 1.87 -0.18 4.23 0.40 0.18 -4.96 117.98 118.34 1wx7 s PHE 31 Ca 0.25 -0.66 -0.01 0.00 -0.60 0.00 0.00 56.93 55.90 1wx7 s PHE 31 Cb -0.15 -1.01 0.05 0.00 0.51 0.00 0.00 43.02 42.43 1wx7 s PHE 31 CO 0.13 0.30 -0.01 -1.54 0.70 0.00 0.00 175.22 174.80 1wx7 s SER 32 N -3.40 2.97 0.09 1.36 1.04 -1.26 -0.11 113.70 114.39 1wx7 s SER 32 Ca 0.27 -0.79 -0.12 0.00 0.48 0.00 0.00 55.95 55.80 1wx7 s SER 32 Cb 0.02 -0.79 0.01 0.00 0.10 0.00 0.00 66.02 65.37 1wx7 s SER 32 CO 0.10 -0.25 0.27 0.68 0.98 0.00 0.00 173.24 175.03 1wx7 s VAL 33 N 1.71 0.11 0.33 5.02 -7.23 0.61 -4.92 120.40 116.02 1wx7 s VAL 33 Ca -0.01 -0.91 -0.28 0.00 -1.81 0.00 0.00 61.98 58.97 1wx7 s VAL 33 Cb -0.17 -1.21 -0.09 0.00 0.56 0.00 0.00 36.38 35.47 1wx7 s VAL 33 CO -0.07 -0.50 1.14 0.42 -0.31 0.00 0.00 175.10 175.78 1wx7 s THR 34 N -3.62 3.31 0.52 5.32 -4.23 -1.26 0.72 115.64 116.40 1wx7 s THR 34 Ca 0.03 1.24 0.27 0.00 -1.18 0.00 0.00 61.69 62.05 1wx7 s THR 34 Cb 0.03 -3.76 0.43 0.00 1.34 0.00 0.00 72.50 70.55 1wx7 s THR 34 CO -0.10 0.24 1.93 -2.24 -0.54 0.00 0.00 174.62 173.90 1wx7 h ASP 35 N 3.36 0.06 0.61 3.99 3.04 -1.82 0.47 116.42 126.13 1wx7 h ASP 35 Ca -0.48 0.01 -0.03 0.00 -3.24 0.00 0.00 57.03 53.29 1wx7 h ASP 35 Cb 1.22 -0.01 -0.00 0.00 -1.04 0.00 0.00 39.33 39.50 1wx7 h ASP 35 CO 0.65 0.03 -0.13 0.00 -2.04 0.00 0.00 179.24 177.75 1wx7 h THR 36 N 0.06 0.43 -3.08 1.15 1.03 -1.91 -1.97 112.91 108.62 1wx7 h THR 36 Ca 0.36 -0.67 -0.58 0.00 -0.01 0.00 0.00 66.41 65.51 1wx7 h THR 36 Cb 1.35 1.47 0.17 0.00 -1.07 0.00 0.00 68.15 70.07 1wx7 h THR 36 CO -0.03 0.12 -0.31 0.00 -0.01 0.00 0.00 175.52 175.30 1wx7 s THR 38 N -1.70 5.20 0.29 0.00 -4.23 -1.26 -2.20 115.64 111.74 1wx7 s THR 38 Ca 0.70 -0.92 -0.02 0.00 -1.18 0.00 0.00 61.69 60.27 1wx7 s THR 38 Cb -0.43 -3.77 0.26 0.00 1.34 0.00 0.00 72.50 69.90 1wx7 s THR 38 CO 0.53 -0.24 1.96 0.40 -0.54 0.00 0.00 174.62 176.73 1wx7 h ILE 39 N 1.38 1.20 0.00 2.99 1.08 -1.66 -1.05 117.51 121.44 1wx7 h ILE 39 Ca -0.50 -0.39 -0.05 0.00 -0.39 0.00 0.00 64.86 63.53 1wx7 h ILE 39 Cb 1.22 -0.04 -0.01 0.00 -3.07 0.00 0.00 36.82 34.92 1wx7 h ILE 39 CO 0.64 0.21 -0.22 0.06 -0.69 0.00 0.00 178.15 178.15 1wx7 h GLN 40 N 1.14 0.00 -0.14 2.37 3.07 -1.85 -2.65 115.11 117.04 1wx7 h GLN 40 Ca 0.32 0.00 -0.21 0.00 0.09 0.00 0.00 58.65 58.85 1wx7 h GLN 40 Cb -0.08 0.00 0.01 0.00 0.08 0.00 0.00 27.48 27.48 1wx7 h GLN 40 CO -0.08 0.22 -0.75 1.96 0.09 0.00 0.00 178.83 180.27 1wx7 h GLN 41 N 0.00 0.69 -0.47 0.06 4.20 -1.56 -3.25 115.11 114.78 1wx7 h GLN 41 Ca -0.00 -0.55 -0.08 0.00 0.06 0.00 0.00 58.65 58.07 1wx7 h GLN 41 Cb 0.51 0.11 -0.02 0.00 0.30 0.00 0.00 27.48 28.38 1wx7 h GLN 41 CO 0.03 1.17 -0.04 1.25 -0.67 0.00 0.00 178.83 180.57 1wx7 h LEU 42 N 0.47 0.84 -0.88 1.46 5.85 -1.16 -3.06 115.31 118.84 1wx7 h LEU 42 Ca -0.04 -0.33 0.23 0.00 0.84 0.00 0.00 57.88 58.58 1wx7 h LEU 42 Cb 1.37 -0.23 -0.15 0.00 0.37 0.00 0.00 40.66 42.02 1wx7 h LEU 42 CO 0.15 0.97 0.13 0.11 -0.34 0.00 0.00 178.44 179.46 1wx7 h LYS 43 N 0.70 0.12 -0.16 1.25 1.79 -1.51 1.15 116.57 119.91 1wx7 h LYS 43 Ca 0.13 -0.01 -0.02 0.00 -2.18 0.00 0.00 60.65 58.58 1wx7 h LYS 43 Cb 0.56 -0.03 -0.01 0.00 -1.58 0.00 0.00 32.23 31.17 1wx7 h LYS 43 CO 0.03 0.08 0.03 0.93 -1.08 0.00 0.00 179.45 179.44 1wx7 h GLU 44 N 0.12 0.22 0.15 3.15 5.08 -1.63 -0.72 114.58 120.95 1wx7 h GLU 44 Ca 0.54 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.87 1wx7 h GLU 44 Cb 1.08 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.29 1wx7 h GLU 44 CO -0.73 0.22 -0.07 0.93 -1.00 0.00 0.00 179.01 178.36 1wx7 h GLU 45 N 0.22 -0.19 0.00 2.33 5.08 0.12 -3.25 114.58 118.90 1wx7 h GLU 45 Ca 0.06 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.43 1wx7 h GLU 45 Cb 0.11 0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.40 1wx7 h GLU 45 CO -0.00 -0.13 0.09 0.44 -1.00 0.00 0.00 179.01 178.41 1wx7 n ILE 46 N -3.66 1.37 -0.26 3.13 -5.35 -0.23 -1.43 119.36 112.94 1wx7 n ILE 46 Ca -0.02 0.60 -0.07 0.00 -0.27 0.00 0.00 62.75 62.98 1wx7 n ILE 46 Cb 0.08 -1.60 0.05 0.00 -1.74 0.00 0.00 39.64 36.43 1wx7 n ILE 46 CO 0.00 0.00 0.00 -1.28 -1.76 0.00 0.00 176.55 173.51 1wx7 h SER 47 N 0.00 1.09 0.27 7.28 0.87 -1.15 0.21 113.55 122.12 1wx7 h SER 47 Ca 0.00 -0.23 -0.34 0.00 -1.23 0.00 0.00 61.79 60.00 1wx7 h SER 47 Cb 0.18 -0.29 -0.00 0.00 -0.44 0.00 0.00 62.40 61.85 1wx7 h SER 47 CO 0.00 1.03 -1.73 0.06 -0.53 0.00 0.00 176.83 175.66 1wx7 h GLN 48 N 1.10 0.31 -0.13 2.24 3.07 -1.38 0.45 115.11 120.77 1wx7 h GLN 48 Ca 0.23 -0.53 -0.05 0.00 0.09 0.00 0.00 58.65 58.38 1wx7 h GLN 48 Cb 0.36 0.20 -0.01 0.00 0.08 0.00 0.00 27.48 28.10 1wx7 h GLN 48 CO -0.00 1.20 -0.15 0.00 0.09 0.00 0.00 178.83 179.97 1wx7 h ARG 49 N 0.09 0.22 -0.00 0.06 2.47 -1.50 -2.95 114.38 112.76 1wx7 h ARG 49 Ca -0.33 -0.05 0.00 0.00 -1.26 0.00 0.00 59.98 58.34 1wx7 h ARG 49 Cb 2.06 -0.03 0.00 0.00 -1.65 0.00 0.00 29.97 30.35 1wx7 h ARG 49 CO 0.15 0.37 -0.44 1.19 0.56 0.00 0.00 179.97 181.81 1wx7 n PHE 50 N -4.26 0.00 -3.32 3.04 3.72 0.06 -5.02 117.46 111.67 1wx7 n PHE 50 Ca -0.01 0.00 -0.16 0.00 -0.05 0.00 0.00 57.45 57.23 1wx7 n PHE 50 Cb 0.28 0.00 0.08 0.00 -0.94 0.00 0.00 39.48 38.90 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 -1.06 -5.62 -3.76 -1.08 4.76 0.12 -5.02 118.16 106.50 1wx7 n LYS 51 Ca 0.02 0.81 -0.13 0.00 -2.87 0.00 0.00 58.31 56.14 1wx7 n LYS 51 Cb 0.17 -5.68 -0.14 0.00 -1.84 0.00 0.00 35.03 27.54 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 -3.35 -0.35 0.34 7.82 0.00 0.11 -4.99 121.76 121.35 1wx7 s ALA 52 Ca 0.07 0.68 -0.27 0.00 0.00 0.00 0.00 51.96 52.44 1wx7 s ALA 52 Cb -0.01 -0.44 -0.13 0.00 0.00 0.00 0.00 23.12 22.55 1wx7 s ALA 52 CO 0.69 -0.14 1.13 1.58 0.00 0.00 0.00 175.76 179.02 1wx7 n HIS 53 N 3.92 1.69 0.90 0.00 -0.00 -1.26 -4.15 115.22 116.32 1wx7 n HIS 53 Ca -0.23 0.61 0.08 0.00 0.46 0.00 0.00 57.72 58.64 1wx7 n HIS 53 Cb 0.54 -2.32 0.44 0.00 -0.12 0.00 0.00 29.99 28.53 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 0.52 0.41 0.00 1.57 -0.04 -1.26 -2.19 135.00 134.01 1wx7 n PRO 54 Ca 0.07 0.04 0.13 0.00 -0.04 0.00 0.00 63.50 63.71 1wx7 n PRO 54 Cb 0.35 -1.50 0.47 0.00 -0.04 0.00 0.00 33.50 32.78 1wx7 n PRO 54 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1wx7 n ASP 55 N -1.08 0.41 -0.01 3.54 5.68 -1.26 -4.12 116.55 119.70 1wx7 n ASP 55 Ca 0.10 -0.22 -0.02 0.00 -0.50 0.00 0.00 54.79 54.16 1wx7 n ASP 55 Cb 0.07 -0.05 -0.01 0.00 -1.14 0.00 0.00 41.12 39.99 1wx7 n ASP 55 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1wx7 n GLN 56 N -1.25 0.84 -1.72 0.11 10.64 -0.93 -5.02 117.38 120.04 1wx7 n GLN 56 Ca 0.09 0.01 -0.61 0.00 -1.83 0.00 0.00 57.00 54.66 1wx7 n GLN 56 Cb 0.32 -1.05 -0.08 0.00 -0.86 0.00 0.00 30.24 28.57 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 -2.47 2.00 -4.19 2.61 4.77 -1.15 -3.34 117.00 115.23 1wx7 n LEU 57 Ca -0.04 1.11 -0.34 0.00 -0.03 0.00 0.00 56.01 56.71 1wx7 n LEU 57 Cb 0.55 -1.05 -0.15 0.00 -2.33 0.00 0.00 43.42 40.43 1wx7 n LEU 57 CO 0.03 -0.56 -0.47 -0.69 -1.33 0.00 0.00 177.39 174.36 1wx7 s VAL 58 N 3.41 2.56 -0.09 4.08 1.01 -0.26 -4.95 120.40 126.15 1wx7 s VAL 58 Ca 1.01 -0.78 -0.13 0.00 0.00 0.00 0.00 61.98 62.07 1wx7 s VAL 58 Cb -1.21 -2.12 -0.05 0.00 0.00 0.00 0.00 36.38 33.00 1wx7 s VAL 58 CO 0.71 0.49 0.32 -0.76 0.00 0.00 0.00 175.10 175.86 1wx7 s LEU 59 N 1.36 4.35 -0.06 3.92 1.43 -1.26 0.42 118.68 128.84 1wx7 s LEU 59 Ca 0.05 0.69 0.02 0.00 -1.03 0.00 0.00 54.13 53.86 1wx7 s LEU 59 Cb -0.14 -2.43 0.01 0.00 0.03 0.00 0.00 46.19 43.67 1wx7 s LEU 59 CO -0.09 0.22 -0.12 -0.63 0.23 0.00 0.00 176.35 175.95 1wx7 s ILE 60 N -0.29 1.14 -0.18 -0.59 1.01 -0.82 -2.75 121.20 118.71 1wx7 s ILE 60 Ca 0.20 -0.50 -0.18 0.00 0.00 0.00 0.00 60.65 60.17 1wx7 s ILE 60 Cb -0.14 -1.03 0.05 0.00 0.01 0.00 0.00 42.46 41.34 1wx7 s ILE 60 CO 0.08 0.35 0.51 0.12 0.00 0.00 0.00 174.94 176.00 1wx7 s PHE 61 N 0.56 -0.55 -1.61 3.97 2.19 -0.95 -2.40 117.98 119.19 1wx7 s PHE 61 Ca -0.13 1.32 0.00 0.00 0.33 0.00 0.00 56.93 58.45 1wx7 s PHE 61 Cb -0.15 0.20 0.00 0.00 -1.31 0.00 0.00 43.02 41.76 1wx7 s PHE 61 CO 0.03 -0.30 0.00 0.00 1.83 0.00 0.00 175.22 176.79 1wx7 n ALA 62 N 2.63 -0.65 -1.82 11.12 0.00 -1.26 -0.90 120.51 129.62 1wx7 n ALA 62 Ca -0.14 0.15 -0.15 0.00 0.00 0.00 0.00 53.44 53.31 1wx7 n ALA 62 Cb 0.56 -2.02 -0.04 0.00 0.00 0.00 0.00 19.45 17.96 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 -0.95 0.72 3.01 0.00 0.00 -1.26 -4.99 105.19 101.72 1wx7 n GLY 63 Ca -0.22 -0.30 -0.13 0.00 0.00 0.00 0.00 46.02 45.37 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 -3.93 0.16 -0.15 1.61 -2.85 -0.08 -5.12 119.74 109.39 1wx7 s LYS 64 Ca 0.00 0.38 -0.29 0.00 -1.00 0.00 0.00 55.97 55.06 1wx7 s LYS 64 Cb 0.00 -0.07 -0.04 0.00 -2.06 0.00 0.00 37.83 35.66 1wx7 s LYS 64 CO 0.00 -0.12 1.71 0.42 0.10 0.00 0.00 175.35 177.46 1wx7 s ILE 65 N 0.84 3.54 0.52 3.79 -1.09 -1.26 -2.23 121.20 125.31 1wx7 s ILE 65 Ca -0.06 0.62 -0.21 0.00 -2.23 0.00 0.00 60.65 58.77 1wx7 s ILE 65 Cb -0.08 -3.51 -0.08 0.00 -1.58 0.00 0.00 42.46 37.22 1wx7 s ILE 65 CO -0.05 -0.17 0.94 0.18 -1.23 0.00 0.00 174.94 174.61 1wx7 n LEU 66 N 8.29 2.88 -4.88 2.97 4.77 -1.11 -4.99 117.00 124.94 1wx7 n LEU 66 Ca 0.19 0.90 -0.29 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 40.13 1wx7 n LEU 66 CO 0.64 -1.82 -0.18 -0.54 -1.33 0.00 0.00 177.39 174.17 1wx7 s LYS 67 N -2.35 3.24 0.08 3.23 -0.14 -1.26 -4.90 119.74 117.64 1wx7 s LYS 67 Ca 0.69 -0.58 -0.31 0.00 -1.36 0.00 0.00 55.97 54.42 1wx7 s LYS 67 Cb -0.48 -2.90 -0.18 0.00 -1.68 0.00 0.00 37.83 32.59 1wx7 s LYS 67 CO 0.52 0.57 1.65 -0.44 -0.76 0.00 0.00 175.35 176.89 1wx7 h ASP 68 N 2.88 -0.61 0.00 2.83 5.19 -1.94 -2.04 116.42 122.73 1wx7 h ASP 68 Ca -0.46 0.02 0.00 0.00 -0.62 0.00 0.00 57.03 55.97 1wx7 h ASP 68 Cb 1.17 0.16 0.00 0.00 0.18 0.00 0.00 39.33 40.85 1wx7 h ASP 68 CO 0.71 -0.43 0.00 -0.81 -3.12 0.00 0.00 179.24 175.59 1wx7 n PRO 69 N -5.40 0.49 -3.64 3.56 -0.04 -1.26 -3.33 135.00 125.38 1wx7 n PRO 69 Ca -0.12 0.00 -0.40 0.00 -0.04 0.00 0.00 63.50 62.94 1wx7 n PRO 69 Cb 0.30 -1.29 -0.11 0.00 -0.04 0.00 0.00 33.50 32.36 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 -1.79 5.60 1.00 3.54 1.11 -0.77 -5.04 116.67 120.32 1wx7 s ASP 70 Ca 0.13 -1.18 -0.11 0.00 0.18 0.00 0.00 52.55 51.57 1wx7 s ASP 70 Cb 0.06 -1.97 0.19 0.00 1.07 0.00 0.00 42.92 42.27 1wx7 s ASP 70 CO 0.10 -0.41 1.09 -0.94 1.18 0.00 0.00 175.17 176.19 1wx7 s SER 71 N 1.67 2.34 0.36 0.27 1.04 -1.26 -3.89 113.70 114.23 1wx7 s SER 71 Ca 0.01 1.76 0.10 0.00 0.48 0.00 0.00 55.95 58.30 1wx7 s SER 71 Cb -0.20 -2.37 0.84 0.00 0.10 0.00 0.00 66.02 64.39 1wx7 s SER 71 CO 0.04 -3.39 1.86 -0.07 0.98 0.00 0.00 173.24 172.66 1wx7 h LEU 72 N -2.07 0.64 -0.81 2.42 3.38 -0.87 0.22 115.31 118.22 1wx7 h LEU 72 Ca -0.52 0.05 -0.11 0.00 0.09 0.00 0.00 57.88 57.39 1wx7 h LEU 72 Cb 1.30 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.95 1wx7 h LEU 72 CO 0.48 0.31 -0.51 0.00 0.09 0.00 0.00 178.44 178.80 1wx7 h ALA 73 N 1.60 0.97 0.00 1.53 0.00 -1.64 1.03 119.26 122.75 1wx7 h ALA 73 Ca 0.46 -0.47 -0.18 0.00 0.00 0.00 0.00 54.91 54.73 1wx7 h ALA 73 Cb 0.79 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.48 1wx7 h ALA 73 CO -0.22 0.64 -0.84 1.96 0.00 0.00 0.00 179.25 180.80 1wx7 h GLN 74 N 0.00 0.06 0.00 0.00 4.20 -0.94 -3.11 115.11 115.32 1wx7 h GLN 74 Ca -0.01 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.64 1wx7 h GLN 74 Cb 1.03 0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.82 1wx7 h GLN 74 CO 0.07 0.86 -0.31 0.00 -0.67 0.00 0.00 178.83 178.78 1wx7 n GLY 76 N 1.34 0.89 3.76 0.00 0.00 -0.91 -4.86 105.19 105.42 1wx7 n GLY 76 Ca 0.05 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.66 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 3.52 0.18 1.61 1.01 0.35 -4.96 120.40 120.11 1wx7 s VAL 77 Ca 0.00 1.52 0.04 0.00 0.00 0.00 0.00 61.98 63.54 1wx7 s VAL 77 Cb 0.00 -3.96 -0.01 0.00 0.00 0.00 0.00 36.38 32.40 1wx7 s VAL 77 CO 0.00 0.35 0.13 0.54 0.00 0.00 0.00 175.10 176.12 1wx7 n ARG 78 N 1.16 0.33 -2.42 2.72 5.12 -1.26 -3.93 116.66 118.38 1wx7 n ARG 78 Ca -0.01 -1.72 -0.40 0.00 -1.93 0.00 0.00 57.85 53.79 1wx7 n ARG 78 Cb 0.45 1.30 -0.03 0.00 -1.16 0.00 0.00 32.46 33.02 1wx7 n ARG 78 CO 0.00 0.00 0.00 0.16 -1.93 0.00 0.00 177.63 175.86 1wx7 s ASP 79 N -2.21 5.99 0.00 0.55 1.47 -1.26 -2.71 116.67 118.49 1wx7 s ASP 79 Ca 0.18 -0.50 0.00 0.00 1.18 0.00 0.00 52.55 53.41 1wx7 s ASP 79 Cb 0.01 -2.56 0.00 0.00 -0.34 0.00 0.00 42.92 40.03 1wx7 s ASP 79 CO 0.13 -1.94 0.00 0.61 0.68 0.00 0.00 175.17 174.65 1wx7 n GLY 80 N 5.82 1.22 3.93 2.12 0.00 -1.06 -4.83 105.19 112.38 1wx7 n GLY 80 Ca 0.14 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.91 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 3.02 0.26 0.99 1.43 -1.10 -4.95 118.68 118.33 1wx7 s LEU 81 Ca 0.00 0.51 0.11 0.00 -1.03 0.00 0.00 54.13 53.73 1wx7 s LEU 81 Cb 0.00 -3.25 -0.05 0.00 0.03 0.00 0.00 46.19 42.92 1wx7 s LEU 81 CO 0.00 -1.35 -0.19 -0.89 0.23 0.00 0.00 176.35 174.15 1wx7 s THR 82 N -3.10 2.33 -0.18 5.49 2.01 -1.26 -2.27 115.64 118.65 1wx7 s THR 82 Ca 0.57 -2.34 -0.04 0.00 0.31 0.00 0.00 61.69 60.20 1wx7 s THR 82 Cb -0.11 -2.23 0.08 0.00 0.01 0.00 0.00 72.50 70.25 1wx7 s THR 82 CO 0.44 -0.41 0.23 -0.69 -0.69 0.00 0.00 174.62 173.50 1wx7 s VAL 83 N -2.52 -0.35 -0.53 3.82 1.01 0.11 -4.89 120.40 117.06 1wx7 s VAL 83 Ca 0.28 0.02 -0.27 0.00 0.00 0.00 0.00 61.98 62.00 1wx7 s VAL 83 Cb -0.05 -0.60 -0.01 0.00 0.00 0.00 0.00 36.38 35.73 1wx7 s VAL 83 CO 0.13 -0.10 1.71 -1.00 0.00 0.00 0.00 175.10 175.84 1wx7 s HIS 84 N 2.35 1.89 0.29 5.22 3.76 -1.01 -0.18 115.29 127.61 1wx7 s HIS 84 Ca 0.06 0.65 -0.10 0.00 -0.15 0.00 0.00 55.06 55.51 1wx7 s HIS 84 Cb -0.15 -4.19 -0.07 0.00 1.11 0.00 0.00 32.58 29.28 1wx7 s HIS 84 CO -0.11 -2.36 0.64 -1.17 -0.85 0.00 0.00 174.74 170.89 1wx7 s LEU 85 N 7.62 4.07 -0.18 0.89 2.96 0.47 -1.95 118.68 132.55 1wx7 s LEU 85 Ca 0.66 1.02 -0.05 0.00 -0.22 0.00 0.00 54.13 55.54 1wx7 s LEU 85 Cb -0.14 -3.82 0.06 0.00 0.50 0.00 0.00 46.19 42.79 1wx7 s LEU 85 CO 0.25 -0.18 0.08 -0.69 -1.32 0.00 0.00 176.35 174.49 1wx7 s VAL 86 N -1.99 0.02 -0.35 1.68 1.01 0.17 -4.15 120.40 116.80 1wx7 s VAL 86 Ca 0.49 -0.28 -0.28 0.00 0.00 0.00 0.00 61.98 61.91 1wx7 s VAL 86 Cb -0.11 -0.69 0.02 0.00 0.00 0.00 0.00 36.38 35.60 1wx7 s VAL 86 CO 0.23 -0.31 1.05 -0.63 0.00 0.00 0.00 175.10 175.45 1wx7 s ILE 87 N 2.09 4.49 0.40 2.22 1.09 -1.26 -1.10 121.20 129.13 1wx7 s ILE 87 Ca 0.02 1.58 0.11 0.00 -1.10 0.00 0.00 60.65 61.26 1wx7 s ILE 87 Cb -0.16 -4.42 0.17 0.00 -1.06 0.00 0.00 42.46 36.99 1wx7 s ILE 87 CO -0.11 -0.55 1.94 0.11 -0.10 0.00 0.00 174.94 176.24 1wx7 h LYS 88 N 8.29 0.20 -5.42 2.79 1.79 -1.93 -3.47 116.57 118.81 1wx7 h LYS 88 Ca -0.21 -0.04 -0.31 0.00 -2.18 0.00 0.00 60.65 57.91 1wx7 h LYS 88 Cb 1.06 -0.03 0.16 0.00 -1.58 0.00 0.00 32.23 31.85 1wx7 h LYS 88 CO 1.03 0.33 -0.73 0.54 -1.08 0.00 0.00 179.45 179.54 1wx7 n ARG 89 N -4.30 -5.96 -2.54 3.15 5.12 -1.26 -4.96 116.66 105.91 1wx7 n ARG 89 Ca -0.01 0.80 -0.19 0.00 -1.93 0.00 0.00 57.85 56.52 1wx7 n ARG 89 Cb 0.25 -5.66 0.01 0.00 -1.16 0.00 0.00 32.46 25.90 1wx7 n ARG 89 CO 0.00 0.00 0.00 1.04 -1.93 0.00 0.00 177.63 176.74 1wx7 n GLN 90 N -3.89 2.49 -3.59 5.56 6.02 -1.26 -5.05 117.38 117.67 1wx7 n GLN 90 Ca -0.26 -3.97 -0.38 0.00 -0.01 0.00 0.00 57.00 52.38 1wx7 n GLN 90 Cb 0.66 -1.84 -0.11 0.00 1.02 0.00 0.00 30.24 29.97 1wx7 n GLN 90 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 177.06 174.47 1wx7 s HIS 91 N -3.39 3.24 -0.54 1.08 2.46 -1.26 -4.99 115.29 111.89 1wx7 s HIS 91 Ca 0.39 0.16 0.06 0.00 0.47 0.00 0.00 55.06 56.15 1wx7 s HIS 91 Cb 0.42 -2.37 0.34 0.00 -0.13 0.00 0.00 32.58 30.84 1wx7 s HIS 91 CO -0.08 -0.12 0.92 2.89 -2.47 0.00 0.00 174.74 175.88 1wx7 n ARG 92 N 4.93 2.88 -4.26 2.88 1.85 -1.26 -5.05 116.66 118.63 1wx7 n ARG 92 Ca -0.14 -4.61 -0.19 0.00 -1.00 0.00 0.00 57.85 51.91 1wx7 n ARG 92 Cb 0.52 -2.15 -0.07 0.00 -1.05 0.00 0.00 32.46 29.71 1wx7 n ARG 92 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1wx7 s ALA 93 N -3.31 1.75 0.38 2.89 0.00 -1.26 -5.19 121.76 117.02 1wx7 s ALA 93 Ca 0.47 -2.02 0.04 0.00 0.00 0.00 0.00 51.96 50.45 1wx7 s ALA 93 Cb 0.30 1.44 -0.05 0.00 0.00 0.00 0.00 23.12 24.81 1wx7 s ALA 93 CO -0.13 -0.69 0.07 0.00 0.00 0.00 0.00 175.76 175.01 1wx7 s MET 94 N -3.31 1.83 0.00 0.00 0.23 -1.26 -5.12 119.30 111.67 1wx7 s MET 94 Ca 0.39 -2.08 0.00 0.00 -1.03 0.00 0.00 55.69 52.98 1wx7 s MET 94 Cb 0.02 -0.93 0.00 0.00 -1.53 0.00 0.00 34.83 32.39 1wx7 s MET 94 CO 0.28 -0.29 0.00 0.41 -2.03 0.00 0.00 175.02 173.39 1wx7 n GLY 95 N -0.85 3.28 3.51 3.16 0.00 -1.26 -5.17 105.19 107.86 1wx7 n GLY 95 Ca -0.06 -1.33 -0.14 0.00 0.00 0.00 0.00 46.02 44.50 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 0.00 -0.53 0.23 1.61 3.84 -1.26 -5.18 114.94 113.65 1wx7 s ASN 96 Ca 0.00 0.38 0.09 0.00 0.21 0.00 0.00 52.86 53.54 1wx7 s ASN 96 Cb 0.00 0.48 -0.04 0.00 -0.55 0.00 0.00 41.25 41.14 1wx7 s ASN 96 CO 0.00 -0.64 -0.01 -0.70 -2.79 0.00 0.00 177.10 172.96 1wx7 s GLU 97 N -2.06 2.31 -0.03 0.43 2.56 -1.26 -5.14 118.70 115.52 1wx7 s GLU 97 Ca -0.04 -1.31 0.03 0.00 0.00 0.00 0.00 54.97 53.65 1wx7 s GLU 97 Cb -0.00 -2.22 -0.03 0.00 2.00 0.00 0.00 34.13 33.87 1wx7 s GLU 97 CO 0.00 0.40 -0.09 0.00 -0.56 0.00 0.00 175.26 175.01 1wx7 s PRO 99 N -1.10 2.59 -0.25 0.00 0.04 -1.26 -4.95 135.00 130.07 1wx7 s PRO 99 Ca 0.14 0.18 -0.29 0.00 0.04 0.00 0.00 61.00 61.08 1wx7 s PRO 99 Cb -0.11 -4.71 0.00 0.00 0.04 0.00 0.00 34.50 29.72 1wx7 s PRO 99 CO 0.04 -3.05 1.15 0.00 0.04 0.00 0.00 177.00 175.18 1wx7 s ALA 100 N 9.59 3.59 0.52 8.56 0.00 -1.26 -4.89 121.76 137.87 1wx7 s ALA 100 Ca 0.69 0.18 0.38 0.00 0.00 0.00 0.00 51.96 53.21 1wx7 s ALA 100 Cb -0.10 -3.63 1.54 0.00 0.00 0.00 0.00 23.12 20.93 1wx7 s ALA 100 CO 0.10 -1.30 1.72 1.03 0.00 0.00 0.00 175.76 177.31 1wx7 h SER 101 N 8.08 0.07 -1.26 0.00 0.87 -2.05 -3.41 113.55 115.85 1wx7 h SER 101 Ca -0.22 0.02 -0.04 0.00 -1.23 0.00 0.00 61.79 60.32 1wx7 h SER 101 Cb 1.08 0.02 0.02 0.00 -0.44 0.00 0.00 62.40 63.07 1wx7 h SER 101 CO 1.00 -0.01 -0.01 0.61 -0.53 0.00 0.00 176.83 177.88 1wx7 n GLY 102 N -1.75 -3.60 0.25 5.77 0.00 -1.26 -4.88 105.19 99.72 1wx7 n GLY 102 Ca 0.32 -1.26 0.14 0.00 0.00 0.00 0.00 46.02 45.21 1wx7 n GLY 102 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wx7 h PRO 103 N 0.00 0.00 -5.23 1.61 0.13 -2.03 -3.47 132.00 123.01 1wx7 h PRO 103 Ca -0.04 0.00 -0.29 0.00 -0.87 0.00 0.00 66.00 64.80 1wx7 h PRO 103 Cb 0.14 0.00 0.15 0.00 0.13 0.00 0.00 31.00 31.42 1wx7 h PRO 103 CO 0.02 0.12 -0.69 0.43 -0.23 0.00 0.00 178.00 177.65 1wx7 n SER 104 N -3.30 -2.43 -3.55 1.44 7.64 -1.26 -5.01 113.62 107.14 1wx7 n SER 104 Ca -0.00 -0.56 -0.08 0.00 1.01 0.00 0.00 58.87 59.24 1wx7 n SER 104 Cb 0.35 -4.61 -0.03 0.00 -1.01 0.00 0.00 64.21 58.90 1wx7 n SER 104 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1wx7 s SER 105 N -4.12 -0.32 0.00 6.43 0.01 -1.26 -5.14 113.70 109.30 1wx7 s SER 105 Ca 0.04 0.17 0.29 0.00 1.31 0.00 0.00 55.95 57.76 1wx7 s SER 105 Cb -0.01 0.30 1.25 0.00 0.21 0.00 0.00 66.02 67.77 1wx7 s SER 105 CO 0.65 -0.42 1.86 0.61 0.41 0.00 0.00 173.24 176.35