#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 -0.01 0.05 1.61 1.04 -1.26 -5.19 113.70 109.94 1wx7 s SER 2 Ca 0.00 -0.94 -0.28 0.00 0.48 0.00 0.00 55.95 55.21 1wx7 s SER 2 Cb 0.00 0.72 0.10 0.00 0.10 0.00 0.00 66.02 66.94 1wx7 s SER 2 CO 0.00 -1.39 1.16 -0.55 0.98 0.00 0.00 173.24 173.43 1wx7 s SER 3 N -3.02 -0.11 0.00 7.02 0.15 -1.26 -5.18 113.70 111.31 1wx7 s SER 3 Ca 0.17 -0.23 0.00 0.00 0.70 0.00 0.00 55.95 56.59 1wx7 s SER 3 Cb -0.04 0.29 0.00 0.00 -1.71 0.00 0.00 66.02 64.56 1wx7 s SER 3 CO 0.10 -0.53 0.00 0.61 1.20 0.00 0.00 173.24 174.62 1wx7 n GLY 4 N -0.47 -1.13 3.50 9.45 0.00 -1.26 -5.10 105.19 110.18 1wx7 n GLY 4 Ca -0.07 -1.35 -0.13 0.00 0.00 0.00 0.00 46.02 44.46 1wx7 n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wx7 s SER 5 N -1.40 -0.63 0.16 1.61 1.04 -1.26 -5.05 113.70 108.17 1wx7 s SER 5 Ca 0.00 1.21 -0.15 0.00 0.48 0.00 0.00 55.95 57.49 1wx7 s SER 5 Cb 0.00 1.22 0.07 0.00 0.10 0.00 0.00 66.02 67.41 1wx7 s SER 5 CO 0.00 -0.21 1.80 0.28 0.98 0.00 0.00 173.24 176.09 1wx7 h SER 6 N 5.30 0.38 0.00 7.02 0.02 -2.09 -3.47 113.55 120.71 1wx7 h SER 6 Ca -0.28 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.68 1wx7 h SER 6 Cb 1.17 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 63.64 1wx7 h SER 6 CO 0.13 0.27 0.00 0.61 -1.14 0.00 0.00 176.83 176.71 1wx7 n GLY 7 N -1.22 1.45 3.11 -3.77 0.00 -1.26 -4.85 105.19 98.66 1wx7 n GLY 7 Ca 0.02 -0.50 -0.16 0.00 0.00 0.00 0.00 46.02 45.38 1wx7 n GLY 7 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wx7 s SER 8 N -4.00 1.31 0.60 1.61 1.04 -1.26 -5.15 113.70 107.86 1wx7 s SER 8 Ca 0.00 -0.54 -0.17 0.00 0.48 0.00 0.00 55.95 55.72 1wx7 s SER 8 Cb 0.00 -0.03 -0.03 0.00 0.10 0.00 0.00 66.02 66.06 1wx7 s SER 8 CO 0.00 -0.10 1.12 -2.16 0.98 0.00 0.00 173.24 173.08 1wx7 s PRO 9 N -1.50 3.08 0.03 4.02 0.04 -1.26 -5.07 135.00 134.34 1wx7 s PRO 9 Ca -0.04 1.50 -0.10 0.00 0.04 0.00 0.00 61.00 62.40 1wx7 s PRO 9 Cb -0.09 -1.98 0.01 0.00 0.04 0.00 0.00 34.50 32.47 1wx7 s PRO 9 CO 0.01 -1.04 0.20 0.00 0.04 0.00 0.00 177.00 176.21 1wx7 s ALA 10 N -2.05 -0.40 0.79 8.56 0.00 -1.26 -5.16 121.76 122.24 1wx7 s ALA 10 Ca 0.70 -0.19 -0.11 0.00 0.00 0.00 0.00 51.96 52.36 1wx7 s ALA 10 Cb -0.22 0.23 0.07 0.00 0.00 0.00 0.00 23.12 23.20 1wx7 s ALA 10 CO 0.34 -0.33 1.09 -1.25 0.00 0.00 0.00 175.76 175.62 1wx7 s PRO 11 N -2.24 2.09 -0.03 0.00 0.04 -1.26 -5.07 135.00 128.52 1wx7 s PRO 11 Ca -0.08 1.11 0.01 0.00 0.04 0.00 0.00 61.00 62.09 1wx7 s PRO 11 Cb -0.03 -1.88 0.02 0.00 0.04 0.00 0.00 34.50 32.65 1wx7 s PRO 11 CO -0.02 -1.75 -0.03 0.08 0.04 0.00 0.00 177.00 175.32 1wx7 s VAL 12 N -2.91 0.40 0.06 -0.36 1.01 -1.26 -5.15 120.40 112.19 1wx7 s VAL 12 Ca 0.62 -0.07 -0.02 0.00 0.00 0.00 0.00 61.98 62.50 1wx7 s VAL 12 Cb -0.17 -0.44 -0.03 0.00 0.00 0.00 0.00 36.38 35.74 1wx7 s VAL 12 CO 0.56 0.18 0.01 0.00 0.00 0.00 0.00 175.10 175.85 1wx7 s GLN 13 N 0.78 0.67 0.00 2.72 -2.07 -1.26 -5.17 119.66 115.33 1wx7 s GLN 13 Ca -0.09 -1.20 0.01 0.00 -1.82 0.00 0.00 55.36 52.25 1wx7 s GLN 13 Cb -0.13 0.23 -0.00 0.00 -1.09 0.00 0.00 33.01 32.02 1wx7 s GLN 13 CO -0.00 -0.14 -0.02 -0.51 -1.32 0.00 0.00 175.29 173.29 1wx7 s ASP 14 N -2.92 0.25 0.00 12.60 1.01 -1.26 -5.12 116.67 121.23 1wx7 s ASP 14 Ca 0.08 -0.11 0.00 0.00 0.71 0.00 0.00 52.55 53.23 1wx7 s ASP 14 Cb 0.08 -0.01 0.00 0.00 1.01 0.00 0.00 42.92 44.00 1wx7 s ASP 14 CO -0.09 -0.03 0.00 -0.81 0.21 0.00 0.00 175.17 174.45 1wx7 n PRO 15 N 2.79 0.00 -0.74 8.23 -0.04 -1.26 -4.65 135.00 139.34 1wx7 n PRO 15 Ca -0.14 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.30 1wx7 n PRO 15 Cb 0.59 -0.23 0.21 0.00 -0.04 0.00 0.00 33.50 34.02 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 1.01 -1.54 0.54 8.25 -1.26 -5.00 115.22 117.21 1wx7 n HIS 16 Ca 0.00 -1.50 -0.41 0.00 -0.26 0.00 0.00 57.72 55.56 1wx7 n HIS 16 Cb 0.00 -0.45 -0.05 0.00 1.12 0.00 0.00 29.99 30.61 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 2.40 -4.93 2.41 -0.00 -1.26 -2.60 117.00 111.95 1wx7 n LEU 17 Ca 0.31 -0.12 -0.23 0.00 -0.00 0.00 0.00 56.01 55.98 1wx7 n LEU 17 Cb 1.00 -1.48 0.00 0.00 -0.00 0.00 0.00 43.42 42.95 1wx7 n LEU 17 CO 0.17 -1.13 0.12 0.27 -0.00 0.00 0.00 177.39 176.82 1wx7 s ILE 18 N 10.14 2.13 0.01 1.96 -4.36 0.23 -4.85 121.20 126.46 1wx7 s ILE 18 Ca 1.04 -1.30 0.03 0.00 -0.26 0.00 0.00 60.65 60.16 1wx7 s ILE 18 Cb -0.41 -2.43 -0.03 0.00 1.25 0.00 0.00 42.46 40.83 1wx7 s ILE 18 CO 0.34 0.00 -0.06 -0.75 0.24 0.00 0.00 174.94 174.71 1wx7 s LYS 19 N -4.34 2.56 -0.04 0.37 2.20 -1.26 -0.05 119.74 119.18 1wx7 s LYS 19 Ca 0.46 -0.73 -0.01 0.00 -0.36 0.00 0.00 55.97 55.33 1wx7 s LYS 19 Cb -0.04 -2.51 0.03 0.00 -1.51 0.00 0.00 37.83 33.80 1wx7 s LYS 19 CO 0.28 0.60 0.04 0.08 -0.36 0.00 0.00 175.35 175.99 1wx7 s VAL 20 N -1.03 -0.01 -0.25 4.02 1.01 0.84 -2.36 120.40 122.62 1wx7 s VAL 20 Ca 0.18 0.33 -0.17 0.00 0.00 0.00 0.00 61.98 62.32 1wx7 s VAL 20 Cb -0.11 -0.21 -0.03 0.00 0.00 0.00 0.00 36.38 36.03 1wx7 s VAL 20 CO 0.09 0.18 0.47 -0.89 0.00 0.00 0.00 175.10 174.94 1wx7 s THR 21 N 1.91 5.12 -0.41 3.92 2.01 -0.87 0.50 115.64 127.81 1wx7 s THR 21 Ca 0.02 0.79 -0.20 0.00 0.31 0.00 0.00 61.69 62.61 1wx7 s THR 21 Cb -0.12 -3.78 0.02 0.00 0.01 0.00 0.00 72.50 68.62 1wx7 s THR 21 CO -0.03 0.14 0.62 -0.69 -0.69 0.00 0.00 174.62 173.96 1wx7 s VAL 22 N 2.02 4.87 -0.46 3.82 1.01 0.56 -0.26 120.40 131.96 1wx7 s VAL 22 Ca 0.20 0.19 -0.18 0.00 0.00 0.00 0.00 61.98 62.19 1wx7 s VAL 22 Cb -0.15 -4.15 0.04 0.00 0.00 0.00 0.00 36.38 32.12 1wx7 s VAL 22 CO 0.09 -0.50 0.51 -0.54 0.00 0.00 0.00 175.10 174.66 1wx7 s LYS 23 N 2.72 3.10 0.20 2.72 1.02 0.73 -2.24 119.74 127.99 1wx7 s LYS 23 Ca 0.22 -0.86 0.08 0.00 0.02 0.00 0.00 55.97 55.44 1wx7 s LYS 23 Cb -0.14 -4.03 -0.04 0.00 -0.52 0.00 0.00 37.83 33.09 1wx7 s LYS 23 CO 0.17 -1.01 -0.02 0.95 -0.92 0.00 0.00 175.35 174.53 1wx7 s THR 24 N 2.27 3.51 -2.00 2.17 -4.23 0.61 0.17 115.64 118.14 1wx7 s THR 24 Ca 0.13 -1.63 0.08 0.00 -1.18 0.00 0.00 61.69 59.09 1wx7 s THR 24 Cb -0.18 -2.79 0.23 0.00 1.34 0.00 0.00 72.50 71.10 1wx7 s THR 24 CO 0.12 -0.19 0.94 -0.81 -0.54 0.00 0.00 174.62 174.14 1wx7 n PRO 25 N -0.33 0.49 0.00 3.99 -0.04 -1.26 -2.51 135.00 135.34 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 0.56 -1.26 0.00 0.00 -0.04 0.00 0.00 33.50 32.76 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 -0.76 2.45 -3.79 0.54 4.76 -1.26 -5.13 118.16 114.97 1wx7 n LYS 26 Ca 0.06 0.00 0.02 0.00 -2.87 0.00 0.00 58.31 55.52 1wx7 n LYS 26 Cb 0.03 -0.86 0.00 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 -2.08 -0.03 -0.05 4.39 1.01 -1.04 -5.18 116.67 113.70 1wx7 s ASP 27 Ca 0.00 -0.19 -0.04 0.00 0.71 0.00 0.00 52.55 53.03 1wx7 s ASP 27 Cb 0.00 0.17 0.02 0.00 1.01 0.00 0.00 42.92 44.12 1wx7 s ASP 27 CO 0.00 -0.33 0.13 -1.59 0.21 0.00 0.00 175.17 173.59 1wx7 s LYS 28 N -2.23 0.14 0.02 8.23 0.00 -1.26 -0.29 119.74 124.35 1wx7 s LYS 28 Ca 0.21 0.20 -0.06 0.00 0.00 0.00 0.00 55.97 56.32 1wx7 s LYS 28 Cb 0.02 0.04 -0.01 0.00 0.00 0.00 0.00 37.83 37.89 1wx7 s LYS 28 CO -0.02 -0.04 0.11 -2.00 0.00 0.00 0.00 175.35 173.40 1wx7 s GLU 29 N 0.20 0.51 0.01 1.78 2.56 -0.95 -4.98 118.70 117.83 1wx7 s GLU 29 Ca -0.01 -0.55 -0.13 0.00 0.00 0.00 0.00 54.97 54.27 1wx7 s GLU 29 Cb -0.02 0.20 -0.06 0.00 2.00 0.00 0.00 34.13 36.26 1wx7 s GLU 29 CO -0.01 -0.12 0.39 -0.51 -0.56 0.00 0.00 175.26 174.45 1wx7 s ASP 30 N -1.67 6.75 0.28 -1.70 1.01 -1.26 -0.32 116.67 119.75 1wx7 s ASP 30 Ca -0.11 0.89 0.07 0.00 0.71 0.00 0.00 52.55 54.11 1wx7 s ASP 30 Cb -0.05 -2.22 -0.06 0.00 1.01 0.00 0.00 42.92 41.60 1wx7 s ASP 30 CO -0.01 0.30 -0.07 -0.36 0.21 0.00 0.00 175.17 175.24 1wx7 s PHE 31 N -1.14 2.00 -0.17 4.23 0.40 0.18 -4.95 117.98 118.52 1wx7 s PHE 31 Ca 0.25 -0.65 -0.01 0.00 -0.60 0.00 0.00 56.93 55.91 1wx7 s PHE 31 Cb -0.16 -1.11 0.05 0.00 0.51 0.00 0.00 43.02 42.31 1wx7 s PHE 31 CO 0.13 0.34 -0.02 -1.54 0.70 0.00 0.00 175.22 174.83 1wx7 s SER 32 N -3.45 2.84 0.11 1.36 1.04 -1.26 -0.12 113.70 114.22 1wx7 s SER 32 Ca 0.29 -0.72 -0.12 0.00 0.48 0.00 0.00 55.95 55.88 1wx7 s SER 32 Cb 0.03 -0.78 0.02 0.00 0.10 0.00 0.00 66.02 65.39 1wx7 s SER 32 CO 0.12 -0.23 0.30 0.68 0.98 0.00 0.00 173.24 175.08 1wx7 s VAL 33 N 1.72 0.10 0.32 5.02 -7.23 0.93 -4.93 120.40 116.33 1wx7 s VAL 33 Ca -0.00 -0.88 -0.28 0.00 -1.81 0.00 0.00 61.98 59.01 1wx7 s VAL 33 Cb -0.16 -1.26 -0.09 0.00 0.56 0.00 0.00 36.38 35.42 1wx7 s VAL 33 CO -0.07 -0.48 1.10 0.42 -0.31 0.00 0.00 175.10 175.76 1wx7 s THR 34 N -3.83 3.50 0.57 5.32 -4.23 -1.26 0.75 115.64 116.45 1wx7 s THR 34 Ca 0.04 1.41 0.28 0.00 -1.18 0.00 0.00 61.69 62.24 1wx7 s THR 34 Cb 0.03 -3.86 0.39 0.00 1.34 0.00 0.00 72.50 70.41 1wx7 s THR 34 CO -0.11 0.26 1.95 -2.24 -0.54 0.00 0.00 174.62 173.94 1wx7 h ASP 35 N 3.43 0.00 0.84 3.99 2.03 -1.86 0.44 116.42 125.29 1wx7 h ASP 35 Ca -0.47 0.00 -0.03 0.00 -0.73 0.00 0.00 57.03 55.79 1wx7 h ASP 35 Cb 1.21 0.00 -0.00 0.00 -0.83 0.00 0.00 39.33 39.71 1wx7 h ASP 35 CO 0.66 0.00 -0.17 0.00 -1.03 0.00 0.00 179.24 178.70 1wx7 h THR 36 N 0.00 0.45 -2.93 1.15 1.03 -1.91 -2.12 112.91 108.58 1wx7 h THR 36 Ca 0.21 -0.90 -0.59 0.00 -0.01 0.00 0.00 66.41 65.12 1wx7 h THR 36 Cb 1.05 1.64 0.13 0.00 -1.07 0.00 0.00 68.15 69.90 1wx7 h THR 36 CO -0.00 0.16 0.08 0.00 -0.01 0.00 0.00 175.52 175.75 1wx7 s THR 38 N -1.29 5.07 0.28 0.00 -4.23 -1.26 -1.98 115.64 112.22 1wx7 s THR 38 Ca 0.63 -0.14 -0.02 0.00 -1.18 0.00 0.00 61.69 60.98 1wx7 s THR 38 Cb -0.57 -3.77 0.27 0.00 1.34 0.00 0.00 72.50 69.77 1wx7 s THR 38 CO 0.57 -0.38 1.91 0.40 -0.54 0.00 0.00 174.62 176.58 1wx7 h ILE 39 N 1.18 1.12 0.00 2.99 1.08 -1.66 -0.87 117.51 121.35 1wx7 h ILE 39 Ca -0.48 -0.40 -0.07 0.00 -0.39 0.00 0.00 64.86 63.52 1wx7 h ILE 39 Cb 1.20 -0.15 -0.01 0.00 -3.07 0.00 0.00 36.82 34.79 1wx7 h ILE 39 CO 0.65 0.21 -0.32 0.06 -0.69 0.00 0.00 178.15 178.07 1wx7 h GLN 40 N 1.17 0.00 -0.29 2.37 3.07 -1.85 -2.68 115.11 116.90 1wx7 h GLN 40 Ca 0.40 0.00 -0.14 0.00 0.09 0.00 0.00 58.65 59.00 1wx7 h GLN 40 Cb 0.09 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 27.64 1wx7 h GLN 40 CO -0.14 0.32 -0.39 1.96 0.09 0.00 0.00 178.83 180.66 1wx7 h GLN 41 N 0.00 0.68 -0.57 0.06 4.20 -1.53 -3.10 115.11 114.85 1wx7 h GLN 41 Ca -0.00 -0.34 -0.10 0.00 0.06 0.00 0.00 58.65 58.27 1wx7 h GLN 41 Cb 0.57 0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.34 1wx7 h GLN 41 CO 0.04 0.95 -0.02 1.25 -0.67 0.00 0.00 178.83 180.38 1wx7 h LEU 42 N 0.56 1.00 -0.79 1.46 5.85 -1.13 -3.08 115.31 119.18 1wx7 h LEU 42 Ca 0.05 -0.29 0.17 0.00 0.84 0.00 0.00 57.88 58.65 1wx7 h LEU 42 Cb 0.92 -0.27 -0.15 0.00 0.37 0.00 0.00 40.66 41.53 1wx7 h LEU 42 CO 0.08 1.06 -0.13 0.11 -0.34 0.00 0.00 178.44 179.23 1wx7 h LYS 43 N 0.93 0.03 -0.12 1.25 1.79 -1.43 0.96 116.57 119.97 1wx7 h LYS 43 Ca 0.16 -0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.62 1wx7 h LYS 43 Cb 0.57 -0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 31.20 1wx7 h LYS 43 CO 0.03 0.02 0.01 0.93 -1.08 0.00 0.00 179.45 179.36 1wx7 h GLU 44 N 0.03 0.17 0.23 3.15 5.08 -1.63 0.48 114.58 122.07 1wx7 h GLU 44 Ca 0.40 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.73 1wx7 h GLU 44 Cb 0.65 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.87 1wx7 h GLU 44 CO -0.78 0.18 -0.11 0.93 -1.00 0.00 0.00 179.01 178.23 1wx7 h GLU 45 N 0.17 -0.30 0.00 2.33 4.39 0.77 -3.25 114.58 118.69 1wx7 h GLU 45 Ca 0.04 0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.76 1wx7 h GLU 45 Cb 0.10 0.07 0.00 0.00 -0.10 0.00 0.00 28.75 28.82 1wx7 h GLU 45 CO 0.00 0.02 0.00 -0.84 -1.16 0.00 0.00 179.01 177.03 1wx7 h ILE 46 N -0.97 0.00 -0.76 3.13 3.07 -0.68 -2.82 117.51 118.48 1wx7 h ILE 46 Ca -0.03 -0.33 -0.01 0.00 1.55 0.00 0.00 64.86 66.04 1wx7 h ILE 46 Cb 0.45 1.18 -0.04 0.00 -0.27 0.00 0.00 36.82 38.15 1wx7 h ILE 46 CO 0.05 0.00 0.44 -1.28 -1.05 0.00 0.00 178.15 176.31 1wx7 h SER 47 N 0.00 0.92 0.38 2.16 0.87 -0.07 0.17 113.55 117.98 1wx7 h SER 47 Ca 0.00 -0.06 -0.31 0.00 -1.23 0.00 0.00 61.79 60.19 1wx7 h SER 47 Cb 0.39 -0.23 -0.04 0.00 -0.44 0.00 0.00 62.40 62.08 1wx7 h SER 47 CO 0.00 0.72 -1.80 0.00 -0.53 0.00 0.00 176.83 175.22 1wx7 n GLN 48 N -4.37 0.67 0.06 2.24 10.64 -1.10 0.06 117.38 125.58 1wx7 n GLN 48 Ca 0.08 0.29 -0.03 0.00 -1.83 0.00 0.00 57.00 55.51 1wx7 n GLN 48 Cb 0.08 -1.77 0.22 0.00 -0.86 0.00 0.00 30.24 27.91 1wx7 n GLN 48 CO 0.00 0.00 0.00 -0.09 -1.83 0.00 0.00 177.06 175.14 1wx7 h ARG 49 N 0.02 0.35 0.00 2.61 9.65 -1.31 -3.10 114.38 122.60 1wx7 h ARG 49 Ca -0.33 -0.15 0.00 0.00 -1.10 0.00 0.00 59.98 58.41 1wx7 h ARG 49 Cb 2.02 -0.01 0.00 0.00 -1.39 0.00 0.00 29.97 30.59 1wx7 h ARG 49 CO 0.08 0.65 -0.80 1.19 2.80 0.00 0.00 179.97 183.89 1wx7 n PHE 50 N -4.08 0.00 -3.00 2.20 3.72 0.58 -5.01 117.46 111.87 1wx7 n PHE 50 Ca -0.01 0.00 -0.12 0.00 -0.05 0.00 0.00 57.45 57.27 1wx7 n PHE 50 Cb 0.44 -0.04 0.06 0.00 -0.94 0.00 0.00 39.48 39.00 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 -1.42 -4.54 -3.70 -1.08 4.76 -0.25 -5.04 118.16 106.89 1wx7 n LYS 51 Ca 0.02 0.56 -0.15 0.00 -2.87 0.00 0.00 58.31 55.87 1wx7 n LYS 51 Cb 0.25 -4.72 -0.15 0.00 -1.84 0.00 0.00 35.03 28.57 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 -3.23 -0.25 0.26 7.82 0.00 0.11 -5.00 121.76 121.47 1wx7 s ALA 52 Ca 0.07 0.66 -0.27 0.00 0.00 0.00 0.00 51.96 52.42 1wx7 s ALA 52 Cb -0.03 -0.66 -0.15 0.00 0.00 0.00 0.00 23.12 22.27 1wx7 s ALA 52 CO 0.48 -0.37 0.74 1.58 0.00 0.00 0.00 175.76 178.19 1wx7 n HIS 53 N 4.79 0.28 0.97 0.00 -0.00 -1.26 -4.15 115.22 115.85 1wx7 n HIS 53 Ca -0.15 0.82 0.07 0.00 0.46 0.00 0.00 57.72 58.92 1wx7 n HIS 53 Cb 0.51 -2.09 0.44 0.00 -0.12 0.00 0.00 29.99 28.73 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 0.85 0.48 -0.07 1.57 -0.04 -1.26 -2.10 135.00 134.43 1wx7 n PRO 54 Ca 0.14 0.00 0.12 0.00 -0.04 0.00 0.00 63.50 63.71 1wx7 n PRO 54 Cb 0.29 -1.48 0.31 0.00 -0.04 0.00 0.00 33.50 32.59 1wx7 n PRO 54 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1wx7 n ASP 55 N -0.98 2.34 0.00 3.54 9.92 -1.26 -4.17 116.55 125.94 1wx7 n ASP 55 Ca 0.11 -1.79 0.00 0.00 -0.53 0.00 0.00 54.79 52.58 1wx7 n ASP 55 Cb 0.05 -0.09 0.00 0.00 -0.64 0.00 0.00 41.12 40.44 1wx7 n ASP 55 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1wx7 n GLN 56 N 0.78 2.49 -1.76 -1.24 10.64 -0.89 -4.93 117.38 122.47 1wx7 n GLN 56 Ca 0.17 0.00 -0.42 0.00 -1.83 0.00 0.00 57.00 54.92 1wx7 n GLN 56 Cb 0.46 -0.86 -0.03 0.00 -0.86 0.00 0.00 30.24 28.94 1wx7 n GLN 56 CO 0.00 0.00 0.00 -0.51 -1.83 0.00 0.00 177.06 174.72 1wx7 s LEU 57 N -2.86 4.37 -0.18 2.61 1.43 -1.19 -2.72 118.68 120.15 1wx7 s LEU 57 Ca 0.00 2.83 0.00 0.00 -1.03 0.00 0.00 54.13 55.94 1wx7 s LEU 57 Cb 0.00 -3.60 0.04 0.00 0.03 0.00 0.00 46.19 42.66 1wx7 s LEU 57 CO 0.00 -0.95 -0.11 -0.69 0.23 0.00 0.00 176.35 174.83 1wx7 s VAL 58 N 1.18 1.52 -0.03 -1.59 1.01 0.08 -4.96 120.40 117.61 1wx7 s VAL 58 Ca 0.74 -0.82 -0.17 0.00 0.00 0.00 0.00 61.98 61.73 1wx7 s VAL 58 Cb -0.49 -1.56 -0.05 0.00 0.00 0.00 0.00 36.38 34.28 1wx7 s VAL 58 CO 0.32 0.25 0.46 -0.76 0.00 0.00 0.00 175.10 175.37 1wx7 s LEU 59 N 1.47 4.41 -0.10 3.92 1.43 -1.26 0.38 118.68 128.93 1wx7 s LEU 59 Ca 0.01 0.96 -0.00 0.00 -1.03 0.00 0.00 54.13 54.07 1wx7 s LEU 59 Cb -0.15 -2.68 0.02 0.00 0.03 0.00 0.00 46.19 43.41 1wx7 s LEU 59 CO -0.09 0.20 -0.06 -0.63 0.23 0.00 0.00 176.35 176.00 1wx7 s ILE 60 N -0.46 0.92 0.01 -0.59 1.01 -0.82 -3.00 121.20 118.27 1wx7 s ILE 60 Ca 0.25 -0.22 0.01 0.00 0.00 0.00 0.00 60.65 60.69 1wx7 s ILE 60 Cb -0.17 -0.95 -0.01 0.00 0.01 0.00 0.00 42.46 41.34 1wx7 s ILE 60 CO 0.13 0.35 -0.03 0.12 0.00 0.00 0.00 174.94 175.51 1wx7 s PHE 61 N 1.70 0.28 -1.23 3.97 2.19 -0.30 -2.57 117.98 122.02 1wx7 s PHE 61 Ca 0.04 -0.28 0.00 0.00 0.33 0.00 0.00 56.93 57.02 1wx7 s PHE 61 Cb -0.13 -0.18 0.00 0.00 -1.31 0.00 0.00 43.02 41.40 1wx7 s PHE 61 CO -0.07 -0.08 0.00 0.00 1.83 0.00 0.00 175.22 176.90 1wx7 n ALA 62 N 2.28 -0.67 -1.66 11.12 0.00 -1.26 0.07 120.51 130.40 1wx7 n ALA 62 Ca -0.18 0.13 -0.10 0.00 0.00 0.00 0.00 53.44 53.28 1wx7 n ALA 62 Cb 0.57 -1.60 -0.03 0.00 0.00 0.00 0.00 19.45 18.39 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 -0.76 0.70 3.05 0.00 0.00 -1.26 -5.01 105.19 101.91 1wx7 n GLY 63 Ca -0.16 -0.51 -0.12 0.00 0.00 0.00 0.00 46.02 45.23 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 -3.53 0.27 -0.27 1.61 -2.85 0.11 -5.12 119.74 109.97 1wx7 s LYS 64 Ca 0.00 -0.03 -0.29 0.00 -1.00 0.00 0.00 55.97 54.65 1wx7 s LYS 64 Cb 0.00 0.12 -0.01 0.00 -2.06 0.00 0.00 37.83 35.89 1wx7 s LYS 64 CO 0.00 -0.05 1.36 0.42 0.10 0.00 0.00 175.35 177.18 1wx7 s ILE 65 N -0.46 4.07 0.50 3.79 -1.09 -1.26 -1.15 121.20 125.59 1wx7 s ILE 65 Ca -0.05 1.22 -0.21 0.00 -2.23 0.00 0.00 60.65 59.37 1wx7 s ILE 65 Cb -0.04 -4.05 -0.09 0.00 -1.58 0.00 0.00 42.46 36.71 1wx7 s ILE 65 CO 0.01 -0.40 0.90 0.18 -1.23 0.00 0.00 174.94 174.39 1wx7 n LEU 66 N 7.66 2.54 -4.93 2.97 4.77 -1.16 -4.98 117.00 123.88 1wx7 n LEU 66 Ca 0.15 0.91 -0.29 0.00 -0.03 0.00 0.00 56.01 56.76 1wx7 n LEU 66 Cb 0.46 -1.33 -0.04 0.00 -2.33 0.00 0.00 43.42 40.19 1wx7 n LEU 66 CO 0.63 -1.91 -0.07 -0.54 -1.33 0.00 0.00 177.39 174.16 1wx7 s LYS 67 N -2.24 3.48 0.05 3.23 -0.14 -1.26 -4.93 119.74 117.94 1wx7 s LYS 67 Ca 0.68 -0.42 -0.29 0.00 -1.36 0.00 0.00 55.97 54.58 1wx7 s LYS 67 Cb -0.50 -2.95 -0.17 0.00 -1.68 0.00 0.00 37.83 32.53 1wx7 s LYS 67 CO 0.53 0.52 1.50 -0.44 -0.76 0.00 0.00 175.35 176.71 1wx7 h ASP 68 N 2.56 -0.52 0.00 2.83 5.19 -1.94 -2.49 116.42 122.04 1wx7 h ASP 68 Ca -0.47 -0.04 0.00 0.00 -0.62 0.00 0.00 57.03 55.90 1wx7 h ASP 68 Cb 1.18 0.13 0.00 0.00 0.18 0.00 0.00 39.33 40.82 1wx7 h ASP 68 CO 0.72 -0.28 0.00 -0.81 -3.12 0.00 0.00 179.24 175.75 1wx7 n PRO 69 N -5.31 0.49 -3.62 3.56 -0.04 -1.26 -3.45 135.00 125.38 1wx7 n PRO 69 Ca -0.11 0.00 -0.40 0.00 -0.04 0.00 0.00 63.50 62.95 1wx7 n PRO 69 Cb 0.28 -1.29 -0.11 0.00 -0.04 0.00 0.00 33.50 32.35 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 5.64 0.98 3.54 1.11 -0.94 -5.04 116.67 120.16 1wx7 s ASP 70 Ca 0.14 -1.30 -0.11 0.00 0.18 0.00 0.00 52.55 51.45 1wx7 s ASP 70 Cb 0.06 -1.99 0.18 0.00 1.07 0.00 0.00 42.92 42.25 1wx7 s ASP 70 CO 0.10 -0.47 1.10 -0.94 1.18 0.00 0.00 175.17 176.14 1wx7 s SER 71 N 1.87 2.45 0.36 0.27 1.04 -1.26 -3.85 113.70 114.57 1wx7 s SER 71 Ca 0.02 1.87 0.13 0.00 0.48 0.00 0.00 55.95 58.46 1wx7 s SER 71 Cb -0.21 -2.44 0.96 0.00 0.10 0.00 0.00 66.02 64.43 1wx7 s SER 71 CO 0.04 -3.34 1.78 -0.07 0.98 0.00 0.00 173.24 172.62 1wx7 h LEU 72 N -2.04 0.58 -0.69 2.42 3.38 -0.74 0.42 115.31 118.64 1wx7 h LEU 72 Ca -0.50 0.09 -0.14 0.00 0.09 0.00 0.00 57.88 57.42 1wx7 h LEU 72 Cb 1.29 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 42.02 1wx7 h LEU 72 CO 0.46 0.16 -0.59 0.00 0.09 0.00 0.00 178.44 178.56 1wx7 h ALA 73 N 1.65 0.88 -0.01 1.53 0.00 -1.63 0.92 119.26 122.60 1wx7 h ALA 73 Ca 0.58 -0.53 -0.15 0.00 0.00 0.00 0.00 54.91 54.81 1wx7 h ALA 73 Cb 1.24 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.92 1wx7 h ALA 73 CO -0.33 0.72 -0.70 1.96 0.00 0.00 0.00 179.25 180.89 1wx7 h GLN 74 N 0.17 0.07 0.00 0.00 4.20 -0.58 -3.03 115.11 115.94 1wx7 h GLN 74 Ca -0.00 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.65 1wx7 h GLN 74 Cb 1.08 0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.87 1wx7 h GLN 74 CO 0.09 0.74 -0.21 0.00 -0.67 0.00 0.00 178.83 178.78 1wx7 n GLY 76 N 1.15 0.94 3.74 0.00 0.00 -0.81 -4.89 105.19 105.32 1wx7 n GLY 76 Ca 0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.65 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 3.94 0.18 1.61 1.01 0.31 -4.97 120.40 120.49 1wx7 s VAL 77 Ca 0.00 1.78 0.03 0.00 0.00 0.00 0.00 61.98 63.79 1wx7 s VAL 77 Cb 0.00 -4.14 -0.01 0.00 0.00 0.00 0.00 36.38 32.23 1wx7 s VAL 77 CO 0.00 0.36 0.10 0.54 0.00 0.00 0.00 175.10 176.10 1wx7 n ARG 78 N 1.98 0.52 -2.38 2.72 5.12 -1.26 -3.89 116.66 119.46 1wx7 n ARG 78 Ca 0.01 -1.65 -0.41 0.00 -1.93 0.00 0.00 57.85 53.87 1wx7 n ARG 78 Cb 0.47 1.09 -0.03 0.00 -1.16 0.00 0.00 32.46 32.83 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 -2.18 5.99 0.00 0.55 -4.77 -1.26 -2.61 116.67 112.39 1wx7 s ASP 79 Ca 0.14 0.09 0.00 0.00 -3.30 0.00 0.00 52.55 49.48 1wx7 s ASP 79 Cb 0.01 -2.55 0.00 0.00 -1.09 0.00 0.00 42.92 39.29 1wx7 s ASP 79 CO 0.10 -1.86 0.00 0.61 0.70 0.00 0.00 175.17 174.72 1wx7 n GLY 80 N 5.37 0.90 3.91 2.12 0.00 -0.99 -4.82 105.19 111.67 1wx7 n GLY 80 Ca 0.11 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.85 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 2.81 0.15 0.99 1.43 -1.07 -4.92 118.68 118.06 1wx7 s LEU 81 Ca 0.00 0.77 0.08 0.00 -1.03 0.00 0.00 54.13 53.95 1wx7 s LEU 81 Cb 0.00 -3.43 -0.04 0.00 0.03 0.00 0.00 46.19 42.75 1wx7 s LEU 81 CO 0.00 -1.54 -0.19 -0.89 0.23 0.00 0.00 176.35 173.96 1wx7 s THR 82 N -3.34 1.78 -0.07 5.49 2.01 -1.26 -2.05 115.64 118.20 1wx7 s THR 82 Ca 0.59 -1.81 -0.03 0.00 0.31 0.00 0.00 61.69 60.76 1wx7 s THR 82 Cb -0.11 -1.76 0.04 0.00 0.01 0.00 0.00 72.50 70.68 1wx7 s THR 82 CO 0.48 -0.24 0.07 -0.69 -0.69 0.00 0.00 174.62 173.55 1wx7 s VAL 83 N -1.80 -0.11 -0.56 3.82 1.01 0.63 -4.92 120.40 118.48 1wx7 s VAL 83 Ca 0.13 0.30 -0.27 0.00 0.00 0.00 0.00 61.98 62.14 1wx7 s VAL 83 Cb -0.07 -0.25 -0.00 0.00 0.00 0.00 0.00 36.38 36.06 1wx7 s VAL 83 CO 0.06 0.08 1.63 -1.00 0.00 0.00 0.00 175.10 175.87 1wx7 s HIS 84 N 2.17 1.98 0.26 5.22 3.76 -1.06 -0.19 115.29 127.43 1wx7 s HIS 84 Ca 0.04 0.57 -0.11 0.00 -0.15 0.00 0.00 55.06 55.41 1wx7 s HIS 84 Cb -0.13 -4.26 -0.08 0.00 1.11 0.00 0.00 32.58 29.23 1wx7 s HIS 84 CO -0.04 -2.25 0.60 -1.17 -0.85 0.00 0.00 174.74 171.03 1wx7 s LEU 85 N 7.29 4.13 -0.13 0.89 2.96 0.46 -1.95 118.68 132.32 1wx7 s LEU 85 Ca 0.60 1.02 -0.03 0.00 -0.22 0.00 0.00 54.13 55.51 1wx7 s LEU 85 Cb -0.13 -3.80 0.05 0.00 0.50 0.00 0.00 46.19 42.81 1wx7 s LEU 85 CO 0.24 -0.12 0.06 -0.69 -1.32 0.00 0.00 176.35 174.52 1wx7 s VAL 86 N -1.87 0.13 -0.17 1.68 1.01 0.16 -4.11 120.40 117.22 1wx7 s VAL 86 Ca 0.49 -0.08 -0.20 0.00 0.00 0.00 0.00 61.98 62.19 1wx7 s VAL 86 Cb -0.11 -0.58 -0.03 0.00 0.00 0.00 0.00 36.38 35.66 1wx7 s VAL 86 CO 0.20 -0.08 0.58 -0.63 0.00 0.00 0.00 175.10 175.17 1wx7 s ILE 87 N 2.05 5.08 -0.34 2.22 1.09 -1.26 -0.74 121.20 129.30 1wx7 s ILE 87 Ca 0.02 1.10 0.23 0.00 -1.10 0.00 0.00 60.65 60.91 1wx7 s ILE 87 Cb -0.15 -3.90 0.03 0.00 -1.06 0.00 0.00 42.46 37.38 1wx7 s ILE 87 CO -0.07 0.19 1.13 0.11 -0.10 0.00 0.00 174.94 176.20 1wx7 h LYS 88 N 7.25 0.00 -6.61 2.79 1.79 -1.90 -3.49 116.57 116.41 1wx7 h LYS 88 Ca -0.35 0.00 -0.52 0.00 -2.18 0.00 0.00 60.65 57.60 1wx7 h LYS 88 Cb 1.16 0.00 -0.05 0.00 -1.58 0.00 0.00 32.23 31.76 1wx7 h LYS 88 CO 0.76 0.00 -0.93 0.54 -1.08 0.00 0.00 179.45 178.74 1wx7 n ARG 89 N -2.57 -2.00 -1.04 3.15 1.74 -1.26 -4.87 116.66 109.81 1wx7 n ARG 89 Ca 0.01 0.31 -0.08 0.00 -0.77 0.00 0.00 57.85 57.32 1wx7 n ARG 89 Cb 0.52 -3.98 0.16 0.00 -1.02 0.00 0.00 32.46 28.14 1wx7 n ARG 89 CO 0.00 0.00 0.00 0.94 -1.52 0.00 0.00 177.63 177.05 1wx7 n GLN 90 N -4.49 2.17 -4.95 5.56 7.27 -1.26 -4.99 117.38 116.70 1wx7 n GLN 90 Ca -0.24 -3.40 -0.28 0.00 0.07 0.00 0.00 57.00 53.15 1wx7 n GLN 90 Cb 0.65 -1.90 -0.16 0.00 2.41 0.00 0.00 30.24 31.24 1wx7 n GLN 90 CO 0.00 0.00 0.00 -1.58 0.07 0.00 0.00 177.06 175.55 1wx7 s HIS 91 N -3.36 1.91 -0.06 3.69 2.46 -1.26 -5.02 115.29 113.65 1wx7 s HIS 91 Ca 0.46 -0.56 -0.02 0.00 0.47 0.00 0.00 55.06 55.41 1wx7 s HIS 91 Cb 0.41 -1.28 -0.03 0.00 -0.13 0.00 0.00 32.58 31.55 1wx7 s HIS 91 CO -0.01 -0.19 -0.06 -2.13 -2.47 0.00 0.00 174.74 169.88 1wx7 n ARG 92 N 3.12 0.12 -1.27 2.88 3.00 -1.26 -4.98 116.66 118.28 1wx7 n ARG 92 Ca -0.18 0.04 -0.30 0.00 -0.00 0.00 0.00 57.85 57.42 1wx7 n ARG 92 Cb 0.53 -0.84 -0.15 0.00 0.00 0.00 0.00 32.46 32.00 1wx7 n ARG 92 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1wx7 n ALA 93 N -3.04 0.46 -3.55 5.13 0.00 -1.26 -4.78 120.51 113.47 1wx7 n ALA 93 Ca -0.10 -0.37 0.01 0.00 0.00 0.00 0.00 53.44 52.97 1wx7 n ALA 93 Cb 0.59 -1.95 -0.06 0.00 0.00 0.00 0.00 19.45 18.03 1wx7 n ALA 93 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.50 178.91 1wx7 s MET 94 N 7.09 0.18 0.00 0.00 0.00 -1.26 -5.08 119.30 120.24 1wx7 s MET 94 Ca 1.14 0.35 0.00 0.00 0.00 0.00 0.00 55.69 57.18 1wx7 s MET 94 Cb -0.96 0.09 0.00 0.00 0.00 0.00 0.00 34.83 33.96 1wx7 s MET 94 CO 0.43 -0.04 0.00 0.41 0.00 0.00 0.00 175.02 175.82 1wx7 n GLY 95 N 3.74 0.00 4.22 2.11 0.00 -1.26 -5.04 105.19 108.95 1wx7 n GLY 95 Ca -0.15 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.57 1wx7 n GLY 95 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1wx7 n ASN 96 N -2.03 0.38 -1.93 1.61 4.13 -1.26 -4.80 115.26 111.36 1wx7 n ASN 96 Ca 0.00 -1.19 -0.19 0.00 1.68 0.00 0.00 54.58 54.88 1wx7 n ASN 96 Cb 0.03 -2.05 0.06 0.00 -1.54 0.00 0.00 39.78 36.28 1wx7 n ASN 96 CO 0.00 0.00 0.00 -1.84 0.28 0.00 0.00 177.26 175.70 1wx7 n GLU 97 N -4.51 1.94 -4.40 3.52 0.00 -1.26 -4.89 120.64 111.04 1wx7 n GLU 97 Ca -0.30 -1.88 -0.27 0.00 0.00 0.00 0.00 57.16 54.71 1wx7 n GLU 97 Cb 0.68 -1.74 -0.13 0.00 0.00 0.00 0.00 31.44 30.25 1wx7 n GLU 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1wx7 n PRO 99 N 1.04 -3.19 -0.95 0.00 -0.04 -1.26 -4.89 135.00 125.71 1wx7 n PRO 99 Ca -0.18 -1.78 -0.13 0.00 -0.04 0.00 0.00 63.50 61.36 1wx7 n PRO 99 Cb 0.53 -1.67 -0.05 0.00 -0.04 0.00 0.00 33.50 32.27 1wx7 n PRO 99 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1wx7 n ALA 100 N -4.91 5.48 -2.61 0.55 0.00 -1.26 -4.85 120.51 112.91 1wx7 n ALA 100 Ca -0.21 -1.58 -0.21 0.00 0.00 0.00 0.00 53.44 51.43 1wx7 n ALA 100 Cb 0.60 -1.71 -0.13 0.00 0.00 0.00 0.00 19.45 18.20 1wx7 n ALA 100 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1wx7 s SER 101 N 1.19 1.85 0.94 0.00 1.04 -1.26 -5.15 113.70 112.31 1wx7 s SER 101 Ca 0.39 -0.47 -0.15 0.00 0.48 0.00 0.00 55.95 56.20 1wx7 s SER 101 Cb 0.23 -0.13 0.18 0.00 0.10 0.00 0.00 66.02 66.41 1wx7 s SER 101 CO -0.05 0.06 1.30 -0.83 0.98 0.00 0.00 173.24 174.70 1wx7 s GLY 102 N -1.14 1.75 -0.09 7.32 0.00 -1.26 -4.99 107.32 108.91 1wx7 s GLY 102 Ca 0.03 -1.11 -0.30 0.00 0.00 0.00 0.00 44.72 43.34 1wx7 s GLY 102 CO 0.01 -0.38 1.52 2.56 0.00 0.00 0.00 173.10 176.82 1wx7 s PRO 103 N -5.83 4.19 -0.16 2.90 0.04 -1.26 -4.89 135.00 129.99 1wx7 s PRO 103 Ca 0.72 2.01 -0.05 0.00 0.04 0.00 0.00 61.00 63.72 1wx7 s PRO 103 Cb -0.05 -3.91 -0.08 0.00 0.04 0.00 0.00 34.50 30.49 1wx7 s PRO 103 CO 0.52 -0.80 -0.19 0.45 0.04 0.00 0.00 177.00 177.02 1wx7 n SER 104 N 6.97 1.73 -4.13 6.66 2.88 -1.26 -5.08 113.62 121.40 1wx7 n SER 104 Ca 0.16 0.11 -0.15 0.00 -1.33 0.00 0.00 58.87 57.66 1wx7 n SER 104 Cb 0.43 -0.41 -0.10 0.00 -0.75 0.00 0.00 64.21 63.39 1wx7 n SER 104 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1wx7 s SER 105 N -6.17 0.74 0.00 -3.46 0.15 -1.26 -5.35 113.70 98.34 1wx7 s SER 105 Ca -0.23 -1.44 0.00 0.00 0.70 0.00 0.00 55.95 54.98 1wx7 s SER 105 Cb 0.08 0.34 0.00 0.00 -1.71 0.00 0.00 66.02 64.73 1wx7 s SER 105 CO 0.32 -0.84 0.00 0.61 1.20 0.00 0.00 173.24 174.53