#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 0.06 0.23 1.61 1.04 -1.26 -5.16 113.70 110.22 1wx7 s SER 2 Ca 0.00 -0.01 -0.17 0.00 0.48 0.00 0.00 55.95 56.25 1wx7 s SER 2 Cb 0.00 -0.01 0.02 0.00 0.10 0.00 0.00 66.02 66.13 1wx7 s SER 2 CO 0.00 0.00 0.56 -0.94 0.98 0.00 0.00 173.24 173.85 1wx7 s SER 3 N -0.00 -0.22 0.00 7.02 1.04 -1.26 -5.15 113.70 115.13 1wx7 s SER 3 Ca 0.00 -0.62 0.00 0.00 0.48 0.00 0.00 55.95 55.81 1wx7 s SER 3 Cb -0.00 0.62 0.00 0.00 0.10 0.00 0.00 66.02 66.74 1wx7 s SER 3 CO -0.00 -1.15 0.00 0.61 0.98 0.00 0.00 173.24 173.68 1wx7 n GLY 4 N -0.38 2.60 2.74 7.32 0.00 -1.26 -5.12 105.19 111.08 1wx7 n GLY 4 Ca -0.06 -1.25 -0.17 0.00 0.00 0.00 0.00 46.02 44.54 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 0.44 -1.24 1.61 0.01 -1.26 -5.07 113.70 108.19 1wx7 s SER 5 Ca 0.00 0.05 -0.12 0.00 1.31 0.00 0.00 55.95 57.19 1wx7 s SER 5 Cb 0.00 -0.10 0.17 0.00 0.21 0.00 0.00 66.02 66.30 1wx7 s SER 5 CO 0.00 -0.17 1.62 -1.20 0.41 0.00 0.00 173.24 173.90 1wx7 n SER 6 N 4.56 5.18 -2.63 2.44 7.64 -1.26 -4.49 113.62 125.06 1wx7 n SER 6 Ca -0.20 -3.04 -0.05 0.00 1.01 0.00 0.00 58.87 56.60 1wx7 n SER 6 Cb 0.50 -1.53 0.05 0.00 -1.01 0.00 0.00 64.21 62.22 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 3.55 0.36 3.07 0.23 0.00 -1.26 -5.06 105.19 106.07 1wx7 n GLY 7 Ca 0.38 -0.07 -0.37 0.00 0.00 0.00 0.00 46.02 45.96 1wx7 n GLY 7 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1wx7 n SER 8 N -0.59 4.52 -4.73 1.61 2.88 -1.26 -5.07 113.62 110.97 1wx7 n SER 8 Ca -0.15 -3.17 -0.30 0.00 -1.33 0.00 0.00 58.87 53.92 1wx7 n SER 8 Cb 0.75 -1.08 0.12 0.00 -0.75 0.00 0.00 64.21 63.25 1wx7 n SER 8 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 1wx7 s PRO 9 N -1.59 1.57 0.34 -1.46 0.04 -1.26 -5.02 135.00 127.62 1wx7 s PRO 9 Ca 0.29 0.93 -0.25 0.00 0.04 0.00 0.00 61.00 62.01 1wx7 s PRO 9 Cb -0.05 -1.84 -0.10 0.00 0.04 0.00 0.00 34.50 32.56 1wx7 s PRO 9 CO -0.09 -2.06 0.94 0.00 0.04 0.00 0.00 177.00 175.83 1wx7 s ALA 10 N -2.93 3.18 1.05 8.56 0.00 -1.26 -5.06 121.76 125.30 1wx7 s ALA 10 Ca 0.63 0.49 -0.14 0.00 0.00 0.00 0.00 51.96 52.94 1wx7 s ALA 10 Cb -0.18 -3.17 0.21 0.00 0.00 0.00 0.00 23.12 19.99 1wx7 s ALA 10 CO 0.57 0.17 1.10 -1.25 0.00 0.00 0.00 175.76 176.34 1wx7 s PRO 11 N -2.29 0.02 0.01 0.00 0.04 -1.26 -5.09 135.00 126.42 1wx7 s PRO 11 Ca 0.53 0.38 -0.02 0.00 0.04 0.00 0.00 61.00 61.92 1wx7 s PRO 11 Cb -0.16 -1.70 -0.01 0.00 0.04 0.00 0.00 34.50 32.67 1wx7 s PRO 11 CO 0.21 -2.98 0.03 0.54 0.04 0.00 0.00 177.00 174.85 1wx7 s VAL 12 N -2.97 0.08 1.02 -0.36 0.11 -1.26 -5.16 120.40 111.86 1wx7 s VAL 12 Ca 0.67 -0.65 -0.14 0.00 -2.93 0.00 0.00 61.98 58.93 1wx7 s VAL 12 Cb -0.17 -0.27 0.19 0.00 -1.53 0.00 0.00 36.38 34.60 1wx7 s VAL 12 CO 0.57 -0.36 0.40 0.00 -3.33 0.00 0.00 175.10 172.39 1wx7 n GLN 13 N 1.89 -2.48 -3.51 1.54 10.64 -1.26 -5.05 117.38 119.15 1wx7 n GLN 13 Ca -0.21 -0.74 -0.10 0.00 -1.83 0.00 0.00 57.00 54.12 1wx7 n GLN 13 Cb 0.56 -1.49 -0.03 0.00 -0.86 0.00 0.00 30.24 28.42 1wx7 n GLN 13 CO 0.00 0.00 0.00 -0.51 -1.83 0.00 0.00 177.06 174.72 1wx7 s ASP 14 N -2.06 -0.43 0.00 2.61 1.01 -1.26 -5.11 116.67 111.44 1wx7 s ASP 14 Ca 0.37 0.14 0.00 0.00 0.71 0.00 0.00 52.55 53.77 1wx7 s ASP 14 Cb -0.06 0.42 0.00 0.00 1.01 0.00 0.00 42.92 44.28 1wx7 s ASP 14 CO 0.33 -0.62 0.00 -0.81 0.21 0.00 0.00 175.17 174.27 1wx7 n PRO 15 N 0.03 0.00 -0.51 8.23 -0.04 -1.26 -4.69 135.00 136.76 1wx7 n PRO 15 Ca -0.11 0.00 0.04 0.00 -0.04 0.00 0.00 63.50 63.39 1wx7 n PRO 15 Cb 0.61 -0.23 0.20 0.00 -0.04 0.00 0.00 33.50 34.03 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 0.44 -1.55 0.54 8.25 -1.26 -5.01 115.22 116.63 1wx7 n HIS 16 Ca 0.00 -1.32 -0.41 0.00 -0.26 0.00 0.00 57.72 55.74 1wx7 n HIS 16 Cb 0.00 -0.30 -0.04 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 -1.11 2.48 -4.99 2.41 -0.00 -1.26 -2.72 117.00 111.80 1wx7 n LEU 17 Ca 0.23 -0.11 -0.22 0.00 -0.00 0.00 0.00 56.01 55.91 1wx7 n LEU 17 Cb 0.81 -1.49 0.04 0.00 -0.00 0.00 0.00 43.42 42.77 1wx7 n LEU 17 CO 0.07 -1.12 0.25 0.27 -0.00 0.00 0.00 177.39 176.86 1wx7 s ILE 18 N 10.10 1.95 -0.00 1.96 -4.36 0.24 -4.84 121.20 126.25 1wx7 s ILE 18 Ca 1.03 -1.17 0.04 0.00 -0.26 0.00 0.00 60.65 60.29 1wx7 s ILE 18 Cb -0.39 -2.12 -0.03 0.00 1.25 0.00 0.00 42.46 41.17 1wx7 s ILE 18 CO 0.34 0.00 -0.10 -0.75 0.24 0.00 0.00 174.94 174.67 1wx7 s LYS 19 N -4.54 2.48 -0.04 0.37 2.36 -1.26 -0.35 119.74 118.75 1wx7 s LYS 19 Ca 0.52 -0.75 -0.01 0.00 -2.55 0.00 0.00 55.97 53.18 1wx7 s LYS 19 Cb -0.04 -2.44 0.03 0.00 -1.05 0.00 0.00 37.83 34.33 1wx7 s LYS 19 CO 0.33 0.60 0.04 0.08 1.55 0.00 0.00 175.35 177.94 1wx7 s VAL 20 N -0.94 0.01 -0.25 4.02 1.01 0.78 -2.69 120.40 122.34 1wx7 s VAL 20 Ca 0.16 0.29 -0.16 0.00 0.00 0.00 0.00 61.98 62.26 1wx7 s VAL 20 Cb -0.11 -0.20 -0.03 0.00 0.00 0.00 0.00 36.38 36.04 1wx7 s VAL 20 CO 0.06 0.16 0.43 -0.89 0.00 0.00 0.00 175.10 174.86 1wx7 s THR 21 N 1.71 5.14 -0.43 3.92 2.01 -0.96 0.44 115.64 127.46 1wx7 s THR 21 Ca -0.01 0.71 -0.21 0.00 0.31 0.00 0.00 61.69 62.50 1wx7 s THR 21 Cb -0.13 -3.75 0.02 0.00 0.01 0.00 0.00 72.50 68.66 1wx7 s THR 21 CO -0.03 0.16 0.63 -0.69 -0.69 0.00 0.00 174.62 174.00 1wx7 s VAL 22 N 1.97 4.84 -0.45 3.82 1.01 0.57 -0.14 120.40 132.01 1wx7 s VAL 22 Ca 0.18 0.13 -0.18 0.00 0.00 0.00 0.00 61.98 62.11 1wx7 s VAL 22 Cb -0.15 -4.19 0.04 0.00 0.00 0.00 0.00 36.38 32.07 1wx7 s VAL 22 CO 0.09 -0.57 0.50 -0.54 0.00 0.00 0.00 175.10 174.58 1wx7 s LYS 23 N 2.79 3.10 0.21 2.72 1.02 0.68 -2.06 119.74 128.20 1wx7 s LYS 23 Ca 0.22 -0.83 0.08 0.00 0.02 0.00 0.00 55.97 55.46 1wx7 s LYS 23 Cb -0.14 -4.02 -0.04 0.00 -0.52 0.00 0.00 37.83 33.11 1wx7 s LYS 23 CO 0.18 -0.98 0.01 0.95 -0.92 0.00 0.00 175.35 174.59 1wx7 s THR 24 N 2.26 3.69 -2.00 2.17 -4.23 0.11 0.17 115.64 117.81 1wx7 s THR 24 Ca 0.13 -1.58 0.10 0.00 -1.18 0.00 0.00 61.69 59.16 1wx7 s THR 24 Cb -0.18 -2.90 0.28 0.00 1.34 0.00 0.00 72.50 71.03 1wx7 s THR 24 CO 0.13 -0.21 1.03 -0.81 -0.54 0.00 0.00 174.62 174.21 1wx7 n PRO 25 N -0.45 0.49 0.00 3.99 -0.04 -1.26 -2.52 135.00 135.21 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 -1.32 0.00 0.00 -0.04 0.00 0.00 33.50 32.71 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 -0.82 2.35 -3.92 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 55.54 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 -0.06 4.39 1.01 -1.05 -5.17 116.67 113.78 1wx7 s ASP 27 Ca 0.00 -0.22 -0.05 0.00 0.71 0.00 0.00 52.55 52.99 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 0.16 -1.59 0.21 0.00 0.00 175.17 173.61 1wx7 s LYS 28 N -2.09 0.16 0.03 8.23 0.00 -1.26 0.06 119.74 124.86 1wx7 s LYS 28 Ca 0.26 0.27 0.01 0.00 0.00 0.00 0.00 55.97 56.51 1wx7 s LYS 28 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 37.83 37.81 1wx7 s LYS 28 CO -0.01 -0.07 -0.04 -2.00 0.00 0.00 0.00 175.35 173.23 1wx7 s GLU 29 N 0.44 0.39 0.00 1.78 2.56 -0.87 -4.97 118.70 118.02 1wx7 s GLU 29 Ca -0.03 -0.70 -0.14 0.00 0.00 0.00 0.00 54.97 54.10 1wx7 s GLU 29 Cb -0.04 0.01 -0.06 0.00 2.00 0.00 0.00 34.13 36.04 1wx7 s GLU 29 CO -0.02 -0.03 0.40 0.16 -0.56 0.00 0.00 175.26 175.21 1wx7 s ASP 30 N -1.61 6.79 0.25 -1.70 1.47 -1.26 -0.32 116.67 120.29 1wx7 s ASP 30 Ca -0.13 0.94 0.07 0.00 1.18 0.00 0.00 52.55 54.61 1wx7 s ASP 30 Cb -0.09 -2.24 -0.05 0.00 -0.34 0.00 0.00 42.92 40.20 1wx7 s ASP 30 CO -0.01 0.32 -0.09 -0.36 0.68 0.00 0.00 175.17 175.71 1wx7 s PHE 31 N -1.09 1.85 -0.18 2.11 0.40 0.17 -4.96 117.98 116.28 1wx7 s PHE 31 Ca 0.24 -0.67 -0.02 0.00 -0.60 0.00 0.00 56.93 55.89 1wx7 s PHE 31 Cb -0.16 -0.99 0.05 0.00 0.51 0.00 0.00 43.02 42.43 1wx7 s PHE 31 CO 0.13 0.29 -0.00 -1.54 0.70 0.00 0.00 175.22 174.80 1wx7 s SER 32 N -3.39 2.84 0.11 1.36 1.04 -1.26 -0.16 113.70 114.24 1wx7 s SER 32 Ca 0.27 -0.73 -0.11 0.00 0.48 0.00 0.00 55.95 55.86 1wx7 s SER 32 Cb 0.02 -0.73 0.01 0.00 0.10 0.00 0.00 66.02 65.42 1wx7 s SER 32 CO 0.10 -0.25 0.27 0.68 0.98 0.00 0.00 173.24 175.02 1wx7 s VAL 33 N 1.75 0.11 0.38 5.02 -7.23 0.52 -4.92 120.40 116.04 1wx7 s VAL 33 Ca -0.00 -1.05 -0.25 0.00 -1.81 0.00 0.00 61.98 58.87 1wx7 s VAL 33 Cb -0.16 -1.39 -0.09 0.00 0.56 0.00 0.00 36.38 35.30 1wx7 s VAL 33 CO -0.07 -0.49 1.12 0.42 -0.31 0.00 0.00 175.10 175.77 1wx7 s THR 34 N -3.87 3.39 0.60 5.32 -4.23 -1.26 0.79 115.64 116.38 1wx7 s THR 34 Ca 0.07 1.16 0.30 0.00 -1.18 0.00 0.00 61.69 62.03 1wx7 s THR 34 Cb 0.04 -3.65 0.36 0.00 1.34 0.00 0.00 72.50 70.59 1wx7 s THR 34 CO -0.09 0.10 2.11 -2.24 -0.54 0.00 0.00 174.62 173.96 1wx7 h ASP 35 N 2.76 0.00 1.35 3.99 2.03 -1.88 0.23 116.42 124.90 1wx7 h ASP 35 Ca -0.48 0.00 -0.02 0.00 -0.73 0.00 0.00 57.03 55.80 1wx7 h ASP 35 Cb 1.22 0.00 -0.00 0.00 -0.83 0.00 0.00 39.33 39.72 1wx7 h ASP 35 CO 0.63 0.00 -0.08 0.00 -1.03 0.00 0.00 179.24 178.76 1wx7 h THR 36 N 0.00 0.18 -2.92 1.15 1.03 -1.91 -1.32 112.91 109.12 1wx7 h THR 36 Ca 0.08 -0.92 -0.58 0.00 -0.01 0.00 0.00 66.41 64.98 1wx7 h THR 36 Cb 0.47 1.79 0.17 0.00 -1.07 0.00 0.00 68.15 69.50 1wx7 h THR 36 CO -0.00 0.08 -0.38 0.00 -0.01 0.00 0.00 175.52 175.21 1wx7 s THR 38 N -1.69 5.15 0.18 0.00 -4.23 -1.26 -1.21 115.64 112.58 1wx7 s THR 38 Ca 0.68 -0.90 -0.12 0.00 -1.18 0.00 0.00 61.69 60.17 1wx7 s THR 38 Cb -0.46 -3.83 0.09 0.00 1.34 0.00 0.00 72.50 69.64 1wx7 s THR 38 CO 0.55 -0.36 1.77 0.40 -0.54 0.00 0.00 174.62 176.44 1wx7 h ILE 39 N 1.08 1.21 0.00 2.99 1.08 -1.69 -1.96 117.51 120.21 1wx7 h ILE 39 Ca -0.51 -0.58 -0.02 0.00 -0.39 0.00 0.00 64.86 63.36 1wx7 h ILE 39 Cb 1.23 0.47 -0.00 0.00 -3.07 0.00 0.00 36.82 35.45 1wx7 h ILE 39 CO 0.61 0.24 -0.10 0.06 -0.69 0.00 0.00 178.15 178.26 1wx7 h GLN 40 N 0.83 0.00 -0.06 2.37 3.07 -1.85 -2.69 115.11 116.79 1wx7 h GLN 40 Ca 0.21 0.00 -0.06 0.00 0.09 0.00 0.00 58.65 58.89 1wx7 h GLN 40 Cb 0.10 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.66 1wx7 h GLN 40 CO -0.03 0.10 -0.19 1.96 0.09 0.00 0.00 178.83 180.76 1wx7 h GLN 41 N 0.00 0.24 -0.95 0.06 4.20 -1.73 -3.25 115.11 113.69 1wx7 h GLN 41 Ca -0.00 -0.17 0.05 0.00 0.06 0.00 0.00 58.65 58.59 1wx7 h GLN 41 Cb 0.25 0.03 -0.06 0.00 0.30 0.00 0.00 27.48 28.00 1wx7 h GLN 41 CO 0.01 0.80 0.61 1.25 -0.67 0.00 0.00 178.83 180.83 1wx7 h LEU 42 N -0.27 0.99 -0.73 1.46 5.85 -1.15 -2.44 115.31 119.01 1wx7 h LEU 42 Ca -0.01 0.01 0.15 0.00 0.84 0.00 0.00 57.88 58.87 1wx7 h LEU 42 Cb 0.81 -0.21 -0.13 0.00 0.37 0.00 0.00 40.66 41.50 1wx7 h LEU 42 CO 0.04 0.65 -0.12 0.11 -0.34 0.00 0.00 178.44 178.78 1wx7 h LYS 43 N 1.14 0.03 0.00 1.25 1.79 -1.52 1.02 116.57 120.27 1wx7 h LYS 43 Ca 0.40 -0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.86 1wx7 h LYS 43 Cb 0.11 -0.01 -0.00 0.00 -1.58 0.00 0.00 32.23 30.75 1wx7 h LYS 43 CO -0.16 0.02 -0.03 0.93 -1.08 0.00 0.00 179.45 179.13 1wx7 h GLU 44 N 0.03 0.00 0.04 3.15 5.08 -1.53 0.13 114.58 121.48 1wx7 h GLU 44 Ca 0.37 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.73 1wx7 h GLU 44 Cb 0.59 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.84 1wx7 h GLU 44 CO -0.72 0.03 -0.02 0.93 -1.00 0.00 0.00 179.01 178.24 1wx7 h GLU 45 N 0.00 -0.05 0.00 2.33 4.39 0.96 -3.31 114.58 118.91 1wx7 h GLU 45 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1wx7 h GLU 45 Cb 0.07 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 28.73 1wx7 h GLU 45 CO 0.00 0.02 0.00 0.44 -1.16 0.00 0.00 179.01 178.31 1wx7 n ILE 46 N -4.80 1.32 -0.25 3.13 -5.35 0.27 -2.45 119.36 111.22 1wx7 n ILE 46 Ca -0.01 0.41 -0.06 0.00 -0.27 0.00 0.00 62.75 62.81 1wx7 n ILE 46 Cb 0.04 -1.31 0.05 0.00 -1.74 0.00 0.00 39.64 36.68 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 0.93 0.47 7.28 0.87 -0.83 0.49 113.55 122.77 1wx7 h SER 47 Ca 0.00 -0.14 -0.30 0.00 -1.23 0.00 0.00 61.79 60.12 1wx7 h SER 47 Cb 0.15 -0.24 -0.03 0.00 -0.44 0.00 0.00 62.40 61.83 1wx7 h SER 47 CO 0.00 0.81 -1.65 0.06 -0.53 0.00 0.00 176.83 175.53 1wx7 h GLN 48 N 0.98 0.10 0.00 2.24 3.07 -1.64 0.44 115.11 120.31 1wx7 h GLN 48 Ca 0.24 -0.17 -0.05 0.00 0.09 0.00 0.00 58.65 58.76 1wx7 h GLN 48 Cb 0.14 0.06 -0.01 0.00 0.08 0.00 0.00 27.48 27.76 1wx7 h GLN 48 CO -0.03 0.81 -0.23 0.00 0.09 0.00 0.00 178.83 179.47 1wx7 h ARG 49 N 0.03 0.00 -0.00 0.06 2.47 -1.44 -3.11 114.38 112.39 1wx7 h ARG 49 Ca -0.27 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.45 1wx7 h ARG 49 Cb 1.99 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 30.31 1wx7 h ARG 49 CO 0.10 0.23 -0.16 1.19 0.56 0.00 0.00 179.97 181.90 1wx7 n PHE 50 N -3.59 0.00 -3.10 3.04 3.72 0.16 -5.03 117.46 112.66 1wx7 n PHE 50 Ca -0.01 0.00 -0.13 0.00 -0.05 0.00 0.00 57.45 57.26 1wx7 n PHE 50 Cb 0.37 0.00 0.07 0.00 -0.94 0.00 0.00 39.48 38.98 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 -1.07 -5.10 -3.76 -1.08 4.76 0.79 -5.03 118.16 107.67 1wx7 n LYS 51 Ca 0.01 0.65 -0.13 0.00 -2.87 0.00 0.00 58.31 55.96 1wx7 n LYS 51 Cb 0.05 -5.07 -0.14 0.00 -1.84 0.00 0.00 35.03 28.03 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 -3.27 -0.26 0.33 7.82 0.00 0.12 -5.00 121.76 121.50 1wx7 s ALA 52 Ca 0.01 0.60 -0.28 0.00 0.00 0.00 0.00 51.96 52.30 1wx7 s ALA 52 Cb -0.01 -0.40 -0.13 0.00 0.00 0.00 0.00 23.12 22.59 1wx7 s ALA 52 CO 0.56 -0.14 1.16 1.58 0.00 0.00 0.00 175.76 178.92 1wx7 n HIS 53 N 3.98 1.79 0.91 0.00 -0.00 -1.26 -4.14 115.22 116.50 1wx7 n HIS 53 Ca -0.24 0.62 0.08 0.00 0.46 0.00 0.00 57.72 58.63 1wx7 n HIS 53 Cb 0.53 -2.33 0.44 0.00 -0.12 0.00 0.00 29.99 28.51 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 0.58 0.43 0.00 1.57 -0.04 -1.26 -2.09 135.00 134.19 1wx7 n PRO 54 Ca 0.07 0.03 0.14 0.00 -0.04 0.00 0.00 63.50 63.70 1wx7 n PRO 54 Cb 0.35 -1.50 0.45 0.00 -0.04 0.00 0.00 33.50 32.75 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 -1.06 1.75 0.00 3.54 2.03 -1.26 -4.16 116.55 117.38 1wx7 n ASP 55 Ca 0.11 -1.57 0.00 0.00 0.52 0.00 0.00 54.79 53.84 1wx7 n ASP 55 Cb 0.07 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.47 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 0.36 2.98 -1.67 -0.67 10.64 -0.89 -5.00 117.38 123.13 1wx7 n GLN 56 Ca 0.18 0.00 -0.49 0.00 -1.83 0.00 0.00 57.00 54.86 1wx7 n GLN 56 Cb 0.40 -0.88 -0.05 0.00 -0.86 0.00 0.00 30.24 28.84 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 -1.67 2.97 -4.12 2.61 4.77 -1.14 -2.72 117.00 117.68 1wx7 n LEU 57 Ca 0.00 1.04 -0.33 0.00 -0.03 0.00 0.00 56.01 56.69 1wx7 n LEU 57 Cb 0.38 -1.34 -0.16 0.00 -2.33 0.00 0.00 43.42 39.98 1wx7 n LEU 57 CO 0.00 -0.30 -0.50 -0.69 -1.33 0.00 0.00 177.39 174.57 1wx7 s VAL 58 N 2.52 2.21 -0.12 4.08 1.01 -0.02 -4.96 120.40 125.11 1wx7 s VAL 58 Ca 0.88 -1.08 -0.13 0.00 0.00 0.00 0.00 61.98 61.64 1wx7 s VAL 58 Cb -0.77 -2.03 -0.05 0.00 0.00 0.00 0.00 36.38 33.53 1wx7 s VAL 58 CO 0.48 0.38 0.31 -0.76 0.00 0.00 0.00 175.10 175.51 1wx7 s LEU 59 N 1.26 4.31 -0.11 3.92 1.43 -1.26 0.47 118.68 128.69 1wx7 s LEU 59 Ca 0.02 0.61 0.00 0.00 -1.03 0.00 0.00 54.13 53.73 1wx7 s LEU 59 Cb -0.15 -2.40 0.02 0.00 0.03 0.00 0.00 46.19 43.70 1wx7 s LEU 59 CO -0.10 0.18 -0.11 -0.63 0.23 0.00 0.00 176.35 175.92 1wx7 s ILE 60 N -0.02 1.21 0.00 -0.59 1.01 -0.88 -2.62 121.20 119.31 1wx7 s ILE 60 Ca 0.18 -0.43 -0.02 0.00 0.00 0.00 0.00 60.65 60.39 1wx7 s ILE 60 Cb -0.14 -1.16 -0.01 0.00 0.01 0.00 0.00 42.46 41.16 1wx7 s ILE 60 CO 0.06 0.39 0.03 0.12 0.00 0.00 0.00 174.94 175.54 1wx7 s PHE 61 N 1.39 0.09 -1.07 3.97 2.19 -0.55 -2.68 117.98 121.32 1wx7 s PHE 61 Ca 0.00 -0.17 0.00 0.00 0.33 0.00 0.00 56.93 57.09 1wx7 s PHE 61 Cb -0.13 -0.07 0.00 0.00 -1.31 0.00 0.00 43.02 41.50 1wx7 s PHE 61 CO -0.06 -0.12 0.00 0.00 1.83 0.00 0.00 175.22 176.87 1wx7 n ALA 62 N 2.28 -0.74 -1.95 11.12 0.00 -1.26 0.20 120.51 130.16 1wx7 n ALA 62 Ca -0.18 0.11 -0.12 0.00 0.00 0.00 0.00 53.44 53.25 1wx7 n ALA 62 Cb 0.57 -1.49 -0.02 0.00 0.00 0.00 0.00 19.45 18.52 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 -0.77 0.32 3.08 0.00 0.00 -1.26 -5.01 105.19 101.55 1wx7 n GLY 63 Ca -0.14 -0.42 -0.13 0.00 0.00 0.00 0.00 46.02 45.33 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 -4.10 0.23 -0.22 1.61 -2.85 0.13 -5.12 119.74 109.41 1wx7 s LYS 64 Ca 0.00 0.31 -0.29 0.00 -1.00 0.00 0.00 55.97 54.99 1wx7 s LYS 64 Cb 0.00 0.08 -0.02 0.00 -2.06 0.00 0.00 37.83 35.83 1wx7 s LYS 64 CO 0.00 -0.05 1.51 0.42 0.10 0.00 0.00 175.35 177.33 1wx7 s ILE 65 N 0.27 3.85 0.38 3.79 -1.09 -1.26 -1.48 121.20 125.67 1wx7 s ILE 65 Ca -0.01 0.97 -0.26 0.00 -2.23 0.00 0.00 60.65 59.12 1wx7 s ILE 65 Cb -0.03 -3.83 -0.12 0.00 -1.58 0.00 0.00 42.46 36.91 1wx7 s ILE 65 CO -0.01 -0.31 1.06 0.18 -1.23 0.00 0.00 174.94 174.63 1wx7 n LEU 66 N 7.99 2.65 -4.92 2.97 4.77 -1.08 -4.98 117.00 124.39 1wx7 n LEU 66 Ca 0.17 1.10 -0.29 0.00 -0.03 0.00 0.00 56.01 56.96 1wx7 n LEU 66 Cb 0.45 -1.37 -0.04 0.00 -2.33 0.00 0.00 43.42 40.14 1wx7 n LEU 66 CO 0.63 -1.27 -0.13 -0.54 -1.33 0.00 0.00 177.39 174.75 1wx7 s LYS 67 N -1.90 3.41 0.08 3.23 -0.14 -1.26 -4.90 119.74 118.26 1wx7 s LYS 67 Ca 0.61 -0.53 -0.31 0.00 -1.36 0.00 0.00 55.97 54.38 1wx7 s LYS 67 Cb -0.59 -2.99 -0.16 0.00 -1.68 0.00 0.00 37.83 32.42 1wx7 s LYS 67 CO 0.58 0.57 1.63 0.22 -0.76 0.00 0.00 175.35 177.59 1wx7 h ASP 68 N 2.66 -0.79 0.00 2.83 3.58 -1.94 -1.73 116.42 121.03 1wx7 h ASP 68 Ca -0.47 0.05 0.00 0.00 0.42 0.00 0.00 57.03 57.04 1wx7 h ASP 68 Cb 1.18 0.24 0.00 0.00 1.72 0.00 0.00 39.33 42.47 1wx7 h ASP 68 CO 0.72 -0.48 0.00 -0.81 -2.88 0.00 0.00 179.24 175.79 1wx7 n PRO 69 N -5.44 0.49 -3.57 0.28 -0.04 -1.26 -3.35 135.00 122.10 1wx7 n PRO 69 Ca -0.11 0.00 -0.40 0.00 -0.04 0.00 0.00 63.50 62.94 1wx7 n PRO 69 Cb 0.34 -1.29 -0.08 0.00 -0.04 0.00 0.00 33.50 32.43 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 5.70 0.99 3.54 1.11 -0.65 -5.05 116.67 120.52 1wx7 s ASP 70 Ca 0.13 -2.13 -0.12 0.00 0.18 0.00 0.00 52.55 50.62 1wx7 s ASP 70 Cb 0.06 -1.99 0.15 0.00 1.07 0.00 0.00 42.92 42.21 1wx7 s ASP 70 CO 0.10 -0.63 0.89 -1.54 1.18 0.00 0.00 175.17 175.18 1wx7 n SER 71 N 4.60 -0.77 -0.34 0.27 3.41 -1.26 -4.04 113.62 115.49 1wx7 n SER 71 Ca -0.03 0.25 0.22 0.00 -0.26 0.00 0.00 58.87 59.04 1wx7 n SER 71 Cb 0.41 -1.34 0.47 0.00 -0.26 0.00 0.00 64.21 63.48 1wx7 n SER 71 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 1wx7 h LEU 72 N -2.01 0.53 -0.78 1.04 3.38 -0.58 0.81 115.31 117.69 1wx7 h LEU 72 Ca -0.48 0.11 -0.12 0.00 0.09 0.00 0.00 57.88 57.49 1wx7 h LEU 72 Cb 1.29 0.04 -0.02 0.00 0.09 0.00 0.00 40.66 42.06 1wx7 h LEU 72 CO 0.41 0.06 -0.57 0.00 0.09 0.00 0.00 178.44 178.43 1wx7 h ALA 73 N 1.68 0.97 0.00 1.53 0.00 -1.43 0.43 119.26 122.44 1wx7 h ALA 73 Ca 0.64 -0.52 -0.18 0.00 0.00 0.00 0.00 54.91 54.85 1wx7 h ALA 73 Cb 1.48 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 19.16 1wx7 h ALA 73 CO -0.40 0.71 -0.83 1.96 0.00 0.00 0.00 179.25 180.69 1wx7 h GLN 74 N 0.00 0.08 0.00 0.00 4.20 0.28 -3.16 115.11 116.51 1wx7 h GLN 74 Ca -0.01 -0.08 -0.09 0.00 0.06 0.00 0.00 58.65 58.53 1wx7 h GLN 74 Cb 1.06 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.86 1wx7 h GLN 74 CO 0.07 0.86 -0.42 0.00 -0.67 0.00 0.00 178.83 178.68 1wx7 n GLY 76 N 1.11 1.45 3.85 0.00 0.00 -0.94 -4.87 105.19 105.79 1wx7 n GLY 76 Ca 0.02 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.72 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 4.66 0.18 1.61 1.01 0.15 -5.00 120.40 121.01 1wx7 s VAL 77 Ca 0.00 0.93 0.01 0.00 0.00 0.00 0.00 61.98 62.92 1wx7 s VAL 77 Cb 0.00 -3.68 -0.00 0.00 0.00 0.00 0.00 36.38 32.70 1wx7 s VAL 77 CO 0.00 -0.42 0.22 0.54 0.00 0.00 0.00 175.10 175.44 1wx7 n ARG 78 N -0.99 0.32 -2.44 2.72 5.12 -1.26 -4.23 116.66 115.90 1wx7 n ARG 78 Ca 0.04 -1.57 -0.39 0.00 -1.93 0.00 0.00 57.85 54.01 1wx7 n ARG 78 Cb 0.54 1.43 -0.03 0.00 -1.16 0.00 0.00 32.46 33.23 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 -2.17 6.11 0.00 0.55 -4.77 -1.26 -2.75 116.67 112.38 1wx7 s ASP 79 Ca 0.17 -0.92 0.00 0.00 -3.30 0.00 0.00 52.55 48.50 1wx7 s ASP 79 Cb 0.00 -2.56 0.00 0.00 -1.09 0.00 0.00 42.92 39.27 1wx7 s ASP 79 CO 0.12 -1.85 0.00 0.61 0.70 0.00 0.00 175.17 174.75 1wx7 n GLY 80 N 6.38 1.18 3.95 2.12 0.00 -1.09 -4.82 105.19 112.90 1wx7 n GLY 80 Ca 0.25 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.03 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 3.18 0.18 0.99 1.43 -1.11 -4.97 118.68 118.39 1wx7 s LEU 81 Ca 0.00 0.31 0.10 0.00 -1.03 0.00 0.00 54.13 53.51 1wx7 s LEU 81 Cb 0.00 -3.11 -0.04 0.00 0.03 0.00 0.00 46.19 43.07 1wx7 s LEU 81 CO 0.00 -1.20 -0.21 -0.89 0.23 0.00 0.00 176.35 174.28 1wx7 s THR 82 N -2.92 2.11 -0.11 5.49 2.01 -1.26 -2.28 115.64 118.68 1wx7 s THR 82 Ca 0.56 -1.98 -0.04 0.00 0.31 0.00 0.00 61.69 60.54 1wx7 s THR 82 Cb -0.10 -1.99 0.05 0.00 0.01 0.00 0.00 72.50 70.46 1wx7 s THR 82 CO 0.41 -0.21 0.10 -0.69 -0.69 0.00 0.00 174.62 173.54 1wx7 s VAL 83 N -1.86 -0.14 -0.55 3.82 1.01 0.80 -4.91 120.40 118.57 1wx7 s VAL 83 Ca 0.19 0.14 -0.27 0.00 0.00 0.00 0.00 61.98 62.04 1wx7 s VAL 83 Cb -0.07 -0.38 -0.00 0.00 0.00 0.00 0.00 36.38 35.93 1wx7 s VAL 83 CO 0.08 -0.04 1.62 -1.00 0.00 0.00 0.00 175.10 175.77 1wx7 s HIS 84 N 2.19 1.99 0.29 5.22 3.76 -1.09 -0.23 115.29 127.42 1wx7 s HIS 84 Ca 0.04 0.57 -0.10 0.00 -0.15 0.00 0.00 55.06 55.42 1wx7 s HIS 84 Cb -0.14 -4.26 -0.07 0.00 1.11 0.00 0.00 32.58 29.22 1wx7 s HIS 84 CO -0.06 -2.25 0.64 -1.17 -0.85 0.00 0.00 174.74 171.04 1wx7 s LEU 85 N 7.23 4.06 -0.18 0.89 2.96 0.45 -2.07 118.68 132.02 1wx7 s LEU 85 Ca 0.61 1.02 -0.05 0.00 -0.22 0.00 0.00 54.13 55.49 1wx7 s LEU 85 Cb -0.13 -3.83 0.06 0.00 0.50 0.00 0.00 46.19 42.80 1wx7 s LEU 85 CO 0.24 -0.18 0.08 -0.69 -1.32 0.00 0.00 176.35 174.48 1wx7 s VAL 86 N -2.00 -0.01 -0.30 1.68 1.01 0.18 -4.13 120.40 116.82 1wx7 s VAL 86 Ca 0.49 -0.24 -0.28 0.00 0.00 0.00 0.00 61.98 61.95 1wx7 s VAL 86 Cb -0.11 -0.65 0.01 0.00 0.00 0.00 0.00 36.38 35.64 1wx7 s VAL 86 CO 0.23 -0.29 1.03 -0.63 0.00 0.00 0.00 175.10 175.44 1wx7 s ILE 87 N 2.10 4.58 0.52 2.22 1.09 -1.26 -0.84 121.20 129.61 1wx7 s ILE 87 Ca 0.02 1.72 0.17 0.00 -1.10 0.00 0.00 60.65 61.46 1wx7 s ILE 87 Cb -0.16 -4.36 0.28 0.00 -1.06 0.00 0.00 42.46 37.16 1wx7 s ILE 87 CO -0.10 -0.39 2.14 0.11 -0.10 0.00 0.00 174.94 176.59 1wx7 h LYS 88 N 7.97 0.00 -5.33 2.79 1.79 -1.89 -3.47 116.57 118.44 1wx7 h LYS 88 Ca -0.21 0.00 -0.29 0.00 -2.18 0.00 0.00 60.65 57.98 1wx7 h LYS 88 Cb 1.06 0.00 0.16 0.00 -1.58 0.00 0.00 32.23 31.88 1wx7 h LYS 88 CO 1.00 0.00 -0.73 0.54 -1.08 0.00 0.00 179.45 179.19 1wx7 n ARG 89 N -4.52 -5.12 -3.01 3.15 5.12 -1.26 -3.25 116.66 107.77 1wx7 n ARG 89 Ca -0.02 0.79 -0.12 0.00 -1.93 0.00 0.00 57.85 56.57 1wx7 n ARG 89 Cb 0.14 -5.58 0.06 0.00 -1.16 0.00 0.00 32.46 25.92 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 -3.69 -4.56 -3.67 5.56 -0.06 -1.26 -5.03 117.38 104.67 1wx7 n GLN 90 Ca -0.22 0.54 -0.23 0.00 -2.00 0.00 0.00 57.00 55.10 1wx7 n GLN 90 Cb 0.65 -4.68 -0.02 0.00 -4.06 0.00 0.00 30.24 22.13 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 -3.22 3.48 -0.19 3.69 2.46 -1.20 -5.04 115.29 115.26 1wx7 s HIS 91 Ca 0.12 0.18 -0.04 0.00 0.47 0.00 0.00 55.06 55.79 1wx7 s HIS 91 Cb -0.05 -1.74 -0.10 0.00 -0.13 0.00 0.00 32.58 30.55 1wx7 s HIS 91 CO 0.47 0.29 -0.21 -2.13 -2.47 0.00 0.00 174.74 170.69 1wx7 n ARG 92 N -1.52 0.44 -1.58 2.88 3.00 -1.26 -4.93 116.66 113.68 1wx7 n ARG 92 Ca -0.07 0.14 -0.31 0.00 -0.00 0.00 0.00 57.85 57.62 1wx7 n ARG 92 Cb 0.56 -1.29 0.05 0.00 0.00 0.00 0.00 32.46 31.79 1wx7 n ARG 92 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1wx7 s ALA 93 N -2.37 2.64 -1.38 5.13 0.00 -1.26 -3.97 121.76 120.56 1wx7 s ALA 93 Ca -0.26 0.03 -0.02 0.00 0.00 0.00 0.00 51.96 51.71 1wx7 s ALA 93 Cb 0.08 -3.16 -0.00 0.00 0.00 0.00 0.00 23.12 20.04 1wx7 s ALA 93 CO 0.39 -1.27 0.47 -1.33 0.00 0.00 0.00 175.76 174.02 1wx7 n MET 94 N -3.16 -3.29 -3.15 0.00 2.81 -1.26 -4.95 117.12 104.13 1wx7 n MET 94 Ca 0.07 0.43 0.04 0.00 -1.81 0.00 0.00 57.70 56.43 1wx7 n MET 94 Cb 0.54 -4.55 -0.00 0.00 -0.71 0.00 0.00 33.22 28.50 1wx7 n MET 94 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 1wx7 s GLY 95 N -4.31 -1.20 -0.30 3.03 0.00 -1.25 -5.06 107.32 98.23 1wx7 s GLY 95 Ca 0.04 1.27 -0.12 0.00 0.00 0.00 0.00 44.72 45.90 1wx7 s GLY 95 CO 0.88 3.79 0.98 0.21 0.00 0.00 0.00 173.10 178.96 1wx7 s ASN 96 N 2.82 -0.61 -0.20 1.64 2.47 -1.26 -4.99 114.94 114.81 1wx7 s ASN 96 Ca 0.14 0.51 -0.04 0.00 0.42 0.00 0.00 52.86 53.89 1wx7 s ASN 96 Cb -0.08 1.56 0.10 0.00 -1.45 0.00 0.00 41.25 41.38 1wx7 s ASN 96 CO -0.25 -0.11 0.27 -1.61 -3.72 0.00 0.00 177.10 171.68 1wx7 s GLU 97 N 2.77 0.22 -0.27 0.43 2.02 -1.26 -5.14 118.70 117.47 1wx7 s GLU 97 Ca 0.01 0.42 -0.22 0.00 0.02 0.00 0.00 54.97 55.21 1wx7 s GLU 97 Cb -0.09 -0.74 0.07 0.00 0.10 0.00 0.00 34.13 33.47 1wx7 s GLU 97 CO -0.14 -0.56 0.71 0.00 0.02 0.00 0.00 175.26 175.28 1wx7 s PRO 99 N 0.83 4.25 -0.29 0.00 0.04 -1.26 -4.98 135.00 133.59 1wx7 s PRO 99 Ca -0.04 2.01 -0.16 0.00 0.04 0.00 0.00 61.00 62.86 1wx7 s PRO 99 Cb -0.05 -3.66 0.16 0.00 0.04 0.00 0.00 34.50 30.99 1wx7 s PRO 99 CO -0.07 -0.65 1.04 0.00 0.04 0.00 0.00 177.00 177.36 1wx7 s ALA 100 N 2.79 -2.42 0.18 8.56 0.00 -1.26 -5.18 121.76 124.42 1wx7 s ALA 100 Ca 0.66 2.14 -0.07 0.00 0.00 0.00 0.00 51.96 54.68 1wx7 s ALA 100 Cb -0.32 -1.82 -0.02 0.00 0.00 0.00 0.00 23.12 20.97 1wx7 s ALA 100 CO 0.26 -0.43 0.27 -1.54 0.00 0.00 0.00 175.76 174.32 1wx7 s SER 101 N 1.43 0.07 0.00 0.00 1.04 -1.26 -5.18 113.70 109.80 1wx7 s SER 101 Ca -0.08 -1.01 0.00 0.00 0.48 0.00 0.00 55.95 55.34 1wx7 s SER 101 Cb -0.04 0.44 0.00 0.00 0.10 0.00 0.00 66.02 66.52 1wx7 s SER 101 CO -0.14 -0.91 0.00 0.61 0.98 0.00 0.00 173.24 173.78 1wx7 n GLY 102 N -0.24 1.32 3.56 7.32 0.00 -1.26 -4.93 105.19 110.96 1wx7 n GLY 102 Ca -0.05 -1.76 -0.27 0.00 0.00 0.00 0.00 46.02 43.94 1wx7 n GLY 102 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wx7 s PRO 103 N 2.19 2.56 0.18 1.61 0.04 -1.26 -4.85 135.00 135.46 1wx7 s PRO 103 Ca 0.00 -0.38 -0.24 0.00 0.04 0.00 0.00 61.00 60.42 1wx7 s PRO 103 Cb 0.00 -5.08 0.05 0.00 0.04 0.00 0.00 34.50 29.51 1wx7 s PRO 103 CO 0.00 -3.42 0.85 0.45 0.04 0.00 0.00 177.00 174.92 1wx7 s SER 104 N 7.87 -0.25 0.02 6.66 0.15 -1.26 -5.11 113.70 121.77 1wx7 s SER 104 Ca 0.70 -0.40 -0.04 0.00 0.70 0.00 0.00 55.95 56.91 1wx7 s SER 104 Cb -0.06 0.56 -0.01 0.00 -1.71 0.00 0.00 66.02 64.80 1wx7 s SER 104 CO 0.00 -1.02 -0.08 -0.24 1.20 0.00 0.00 173.24 173.11 1wx7 n SER 105 N -0.44 1.04 0.00 5.45 2.88 -1.26 -5.13 113.62 116.16 1wx7 n SER 105 Ca -0.07 0.15 0.00 0.00 -1.33 0.00 0.00 58.87 57.62 1wx7 n SER 105 Cb 0.61 -0.38 0.00 0.00 -0.75 0.00 0.00 64.21 63.69 1wx7 n SER 105 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42