#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 4.00 -0.10 1.61 0.15 -1.26 -5.09 113.70 113.02 1wx7 s SER 2 Ca 0.00 -0.89 -0.31 0.00 0.70 0.00 0.00 55.95 55.45 1wx7 s SER 2 Cb 0.00 -1.59 0.09 0.00 -1.71 0.00 0.00 66.02 62.81 1wx7 s SER 2 CO 0.00 -0.10 0.81 -0.55 1.20 0.00 0.00 173.24 174.60 1wx7 s SER 3 N 1.28 -0.54 0.00 5.45 0.15 -1.26 -5.17 113.70 113.61 1wx7 s SER 3 Ca 0.00 0.59 0.00 0.00 0.70 0.00 0.00 55.95 57.24 1wx7 s SER 3 Cb -0.16 0.44 0.00 0.00 -1.71 0.00 0.00 66.02 64.59 1wx7 s SER 3 CO -0.07 -0.50 0.00 0.61 1.20 0.00 0.00 173.24 174.48 1wx7 n GLY 4 N 0.84 -0.60 3.37 9.45 0.00 -1.26 -5.14 105.19 111.86 1wx7 n GLY 4 Ca -0.15 -0.63 -0.33 0.00 0.00 0.00 0.00 46.02 44.91 1wx7 n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wx7 s SER 5 N -4.00 3.80 0.14 1.61 0.15 -1.26 -5.09 113.70 109.05 1wx7 s SER 5 Ca 0.00 -0.34 -0.31 0.00 0.70 0.00 0.00 55.95 56.00 1wx7 s SER 5 Cb 0.00 -1.25 -0.09 0.00 -1.71 0.00 0.00 66.02 62.97 1wx7 s SER 5 CO 0.00 0.23 1.54 -0.55 1.20 0.00 0.00 173.24 175.66 1wx7 s SER 6 N -0.05 6.64 0.06 5.45 0.15 -1.26 -4.47 113.70 120.22 1wx7 s SER 6 Ca -0.04 2.54 0.00 0.00 0.70 0.00 0.00 55.95 59.15 1wx7 s SER 6 Cb -0.14 -2.59 0.00 0.00 -1.71 0.00 0.00 66.02 61.58 1wx7 s SER 6 CO 0.04 -0.79 0.00 0.61 1.20 0.00 0.00 173.24 174.30 1wx7 n GLY 7 N 3.72 -5.62 3.08 9.45 0.00 -1.26 -5.04 105.19 109.52 1wx7 n GLY 7 Ca 0.14 -0.02 -0.22 0.00 0.00 0.00 0.00 46.02 45.91 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 -0.55 1.63 0.71 1.61 0.01 -1.26 -5.14 113.70 110.70 1wx7 s SER 8 Ca 0.00 -0.26 -0.13 0.00 1.31 0.00 0.00 55.95 56.87 1wx7 s SER 8 Cb 0.00 -0.31 0.02 0.00 0.21 0.00 0.00 66.02 65.94 1wx7 s SER 8 CO 0.00 0.14 1.10 -2.16 0.41 0.00 0.00 173.24 172.73 1wx7 s PRO 9 N -0.10 2.57 0.54 12.44 0.04 -1.26 -4.95 135.00 144.28 1wx7 s PRO 9 Ca 0.01 1.30 -0.15 0.00 0.04 0.00 0.00 61.00 62.20 1wx7 s PRO 9 Cb -0.08 -1.93 -0.13 0.00 0.04 0.00 0.00 34.50 32.41 1wx7 s PRO 9 CO 0.00 -1.42 -0.26 0.00 0.04 0.00 0.00 177.00 175.36 1wx7 n ALA 10 N -2.89 -3.43 -1.13 8.56 0.00 -1.26 -4.92 120.51 115.45 1wx7 n ALA 10 Ca 0.10 -0.18 -0.29 0.00 0.00 0.00 0.00 53.44 53.06 1wx7 n ALA 10 Cb 0.52 -1.13 0.21 0.00 0.00 0.00 0.00 19.45 19.05 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 -1.08 -0.33 -0.02 0.00 0.04 -1.26 -5.08 135.00 127.28 1wx7 s PRO 11 Ca 0.44 0.26 0.01 0.00 0.04 0.00 0.00 61.00 61.75 1wx7 s PRO 11 Cb -0.35 -1.67 0.01 0.00 0.04 0.00 0.00 34.50 32.53 1wx7 s PRO 11 CO 0.60 -3.18 -0.04 0.08 0.04 0.00 0.00 177.00 174.49 1wx7 s VAL 12 N -2.98 0.39 0.30 -0.36 1.01 -1.26 -5.16 120.40 112.34 1wx7 s VAL 12 Ca 0.68 -0.14 0.11 0.00 0.00 0.00 0.00 61.98 62.62 1wx7 s VAL 12 Cb -0.15 -0.38 -0.05 0.00 0.00 0.00 0.00 36.38 35.80 1wx7 s VAL 12 CO 0.57 0.14 -0.17 0.00 0.00 0.00 0.00 175.10 175.65 1wx7 s GLN 13 N 0.30 1.72 -0.11 2.72 -2.07 -1.26 -5.15 119.66 115.82 1wx7 s GLN 13 Ca -0.03 -1.82 -0.32 0.00 -1.82 0.00 0.00 55.36 51.36 1wx7 s GLN 13 Cb -0.07 -1.74 0.12 0.00 -1.09 0.00 0.00 33.01 30.24 1wx7 s GLN 13 CO -0.00 0.27 1.11 -0.51 -1.32 0.00 0.00 175.29 174.83 1wx7 s ASP 14 N -3.54 -0.20 0.00 12.60 1.01 -1.26 -5.09 116.67 120.19 1wx7 s ASP 14 Ca 0.31 -0.03 0.00 0.00 0.71 0.00 0.00 52.55 53.54 1wx7 s ASP 14 Cb -0.03 0.23 0.00 0.00 1.01 0.00 0.00 42.92 44.13 1wx7 s ASP 14 CO 0.15 -0.38 0.00 -0.81 0.21 0.00 0.00 175.17 174.34 1wx7 n PRO 15 N -0.18 0.00 -0.65 8.23 -0.04 -1.26 -4.68 135.00 136.41 1wx7 n PRO 15 Ca -0.03 0.00 0.02 0.00 -0.04 0.00 0.00 63.50 63.45 1wx7 n PRO 15 Cb 0.60 -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 0.47 -1.71 0.54 8.25 -1.26 -5.01 115.22 116.49 1wx7 n HIS 16 Ca 0.00 -1.50 -0.40 0.00 -0.26 0.00 0.00 57.72 55.56 1wx7 n HIS 16 Cb 0.00 -0.35 -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 -3.21 3.42 0.47 2.41 1.98 -1.26 -2.33 118.68 120.16 1wx7 s LEU 17 Ca 0.40 1.34 0.07 0.00 -2.89 0.00 0.00 54.13 53.06 1wx7 s LEU 17 Cb 0.38 -3.07 0.01 0.00 0.66 0.00 0.00 46.19 44.17 1wx7 s LEU 17 CO -0.03 -2.27 0.47 0.27 -1.89 0.00 0.00 176.35 172.90 1wx7 s ILE 18 N 9.42 2.36 0.06 6.68 -4.36 0.20 -4.86 121.20 130.71 1wx7 s ILE 18 Ca 0.92 -1.29 0.04 0.00 -0.26 0.00 0.00 60.65 60.05 1wx7 s ILE 18 Cb -0.23 -2.66 -0.04 0.00 1.25 0.00 0.00 42.46 40.78 1wx7 s ILE 18 CO 0.30 0.00 -0.01 -0.75 0.24 0.00 0.00 174.94 174.73 1wx7 s LYS 19 N -4.27 2.60 -0.04 0.37 2.20 -1.26 0.17 119.74 119.50 1wx7 s LYS 19 Ca 0.48 -0.78 -0.02 0.00 -0.36 0.00 0.00 55.97 55.29 1wx7 s LYS 19 Cb -0.04 -2.57 0.03 0.00 -1.51 0.00 0.00 37.83 33.75 1wx7 s LYS 19 CO 0.28 0.56 0.07 0.08 -0.36 0.00 0.00 175.35 175.99 1wx7 s VAL 20 N -1.23 -0.12 -0.26 4.02 1.01 0.79 -2.82 120.40 121.79 1wx7 s VAL 20 Ca 0.24 0.36 -0.15 0.00 0.00 0.00 0.00 61.98 62.42 1wx7 s VAL 20 Cb -0.12 -0.16 -0.04 0.00 0.00 0.00 0.00 36.38 36.07 1wx7 s VAL 20 CO 0.16 0.15 0.40 -0.89 0.00 0.00 0.00 175.10 174.91 1wx7 s THR 21 N 1.90 5.16 -0.40 3.92 2.01 -0.89 0.52 115.64 127.87 1wx7 s THR 21 Ca 0.01 0.63 -0.20 0.00 0.31 0.00 0.00 61.69 62.44 1wx7 s THR 21 Cb -0.12 -3.72 0.01 0.00 0.01 0.00 0.00 72.50 68.68 1wx7 s THR 21 CO -0.04 0.16 0.62 -0.69 -0.69 0.00 0.00 174.62 173.99 1wx7 s VAL 22 N 1.99 4.87 -0.45 3.82 1.01 0.15 -0.06 120.40 131.74 1wx7 s VAL 22 Ca 0.16 0.26 -0.18 0.00 0.00 0.00 0.00 61.98 62.23 1wx7 s VAL 22 Cb -0.16 -4.14 0.04 0.00 0.00 0.00 0.00 36.38 32.13 1wx7 s VAL 22 CO 0.09 -0.47 0.51 -0.54 0.00 0.00 0.00 175.10 174.69 1wx7 s LYS 23 N 2.72 3.10 0.21 2.72 1.02 0.79 -1.81 119.74 128.50 1wx7 s LYS 23 Ca 0.22 -0.84 0.08 0.00 0.02 0.00 0.00 55.97 55.45 1wx7 s LYS 23 Cb -0.14 -4.03 -0.04 0.00 -0.52 0.00 0.00 37.83 33.10 1wx7 s LYS 23 CO 0.17 -1.00 0.05 0.95 -0.92 0.00 0.00 175.35 174.60 1wx7 s THR 24 N 2.28 3.88 -2.00 2.17 -4.23 0.14 0.20 115.64 118.09 1wx7 s THR 24 Ca 0.13 -1.51 0.10 0.00 -1.18 0.00 0.00 61.69 59.23 1wx7 s THR 24 Cb -0.18 -3.02 0.29 0.00 1.34 0.00 0.00 72.50 70.93 1wx7 s THR 24 CO 0.13 -0.23 1.04 -0.81 -0.54 0.00 0.00 174.62 174.21 1wx7 n PRO 25 N -0.56 0.49 0.00 3.99 -0.04 -1.26 -2.49 135.00 135.13 1wx7 n PRO 25 Ca -0.08 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.38 1wx7 n PRO 25 Cb 0.57 -1.32 0.00 0.00 -0.04 0.00 0.00 33.50 32.70 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 2.23 -3.86 0.54 4.76 -1.26 -5.12 118.16 114.63 1wx7 n LYS 26 Ca 0.08 0.00 0.02 0.00 -2.87 0.00 0.00 58.31 55.53 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 -1.85 -0.02 -0.04 4.39 1.01 -1.04 -5.17 116.67 113.95 1wx7 s ASP 27 Ca 0.00 -0.23 -0.02 0.00 0.71 0.00 0.00 52.55 53.02 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 -0.36 0.09 -1.59 0.21 0.00 0.00 175.17 173.51 1wx7 s LYS 28 N -2.18 0.04 0.22 8.23 0.00 -1.26 0.27 119.74 125.07 1wx7 s LYS 28 Ca 0.24 0.26 0.04 0.00 0.00 0.00 0.00 55.97 56.50 1wx7 s LYS 28 Cb 0.01 -0.17 -0.05 0.00 0.00 0.00 0.00 37.83 37.62 1wx7 s LYS 28 CO -0.01 -0.14 -0.01 -2.00 0.00 0.00 0.00 175.35 173.18 1wx7 s GLU 29 N 0.96 1.32 -0.03 1.78 2.12 -0.75 -4.97 118.70 119.13 1wx7 s GLU 29 Ca -0.08 -1.66 0.02 0.00 0.36 0.00 0.00 54.97 53.62 1wx7 s GLU 29 Cb -0.10 -0.64 -0.03 0.00 0.26 0.00 0.00 34.13 33.62 1wx7 s GLU 29 CO -0.04 -0.08 -0.07 -0.51 -0.54 0.00 0.00 175.26 174.02 1wx7 s ASP 30 N -3.30 4.59 0.26 -1.70 1.01 -1.26 0.34 116.67 116.60 1wx7 s ASP 30 Ca 0.27 -0.09 0.06 0.00 0.71 0.00 0.00 52.55 53.50 1wx7 s ASP 30 Cb 0.05 -1.10 -0.05 0.00 1.01 0.00 0.00 42.92 42.83 1wx7 s ASP 30 CO 0.08 0.32 -0.05 -0.36 0.21 0.00 0.00 175.17 175.38 1wx7 s PHE 31 N -0.89 1.79 -0.17 4.23 0.40 0.19 -4.96 117.98 118.56 1wx7 s PHE 31 Ca 0.14 -0.77 -0.02 0.00 -0.60 0.00 0.00 56.93 55.69 1wx7 s PHE 31 Cb -0.11 -1.01 0.05 0.00 0.51 0.00 0.00 43.02 42.46 1wx7 s PHE 31 CO 0.04 0.18 0.00 -1.54 0.70 0.00 0.00 175.22 174.60 1wx7 s SER 32 N -3.38 2.75 0.10 1.36 1.04 -1.26 -0.15 113.70 114.15 1wx7 s SER 32 Ca 0.28 -0.69 -0.12 0.00 0.48 0.00 0.00 55.95 55.90 1wx7 s SER 32 Cb 0.04 -0.69 0.02 0.00 0.10 0.00 0.00 66.02 65.48 1wx7 s SER 32 CO 0.10 -0.25 0.29 0.68 0.98 0.00 0.00 173.24 175.04 1wx7 s VAL 33 N 1.79 0.11 0.33 5.02 -7.23 0.13 -4.93 120.40 115.61 1wx7 s VAL 33 Ca 0.00 -0.88 -0.27 0.00 -1.81 0.00 0.00 61.98 59.02 1wx7 s VAL 33 Cb -0.16 -1.23 -0.09 0.00 0.56 0.00 0.00 36.38 35.46 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 -3.72 3.41 0.65 5.32 -4.23 -1.26 0.60 115.64 116.42 1wx7 s THR 34 Ca 0.03 1.30 0.34 0.00 -1.18 0.00 0.00 61.69 62.18 1wx7 s THR 34 Cb 0.03 -3.78 0.35 0.00 1.34 0.00 0.00 72.50 70.45 1wx7 s THR 34 CO -0.11 0.22 2.07 -2.24 -0.54 0.00 0.00 174.62 174.01 1wx7 h ASP 35 N 3.26 0.00 1.66 3.99 2.03 -1.81 0.40 116.42 125.94 1wx7 h ASP 35 Ca -0.48 0.00 -0.02 0.00 -0.73 0.00 0.00 57.03 55.81 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 0.65 0.00 -0.08 0.00 -1.03 0.00 0.00 179.24 178.78 1wx7 h THR 36 N 0.00 0.16 -3.54 1.15 1.03 -1.90 -2.35 112.91 107.45 1wx7 h THR 36 Ca 0.02 -1.07 -0.56 0.00 -0.01 0.00 0.00 66.41 64.79 1wx7 h THR 36 Cb 0.49 1.94 0.18 0.00 -1.07 0.00 0.00 68.15 69.69 1wx7 h THR 36 CO -0.00 0.08 -0.07 0.00 -0.01 0.00 0.00 175.52 175.52 1wx7 s THR 38 N -1.80 5.26 0.25 0.00 -4.23 -1.26 -1.86 115.64 112.00 1wx7 s THR 38 Ca 0.71 -0.95 -0.05 0.00 -1.18 0.00 0.00 61.69 60.21 1wx7 s THR 38 Cb -0.36 -3.85 0.21 0.00 1.34 0.00 0.00 72.50 69.84 1wx7 s THR 38 CO 0.52 -0.33 1.87 0.40 -0.54 0.00 0.00 174.62 176.54 1wx7 h ILE 39 N 1.17 1.25 0.00 2.99 1.08 -1.64 -1.66 117.51 120.70 1wx7 h ILE 39 Ca -0.52 -0.63 -0.04 0.00 -0.39 0.00 0.00 64.86 63.29 1wx7 h ILE 39 Cb 1.23 0.10 -0.01 0.00 -3.07 0.00 0.00 36.82 35.07 1wx7 h ILE 39 CO 0.61 0.28 -0.19 0.06 -0.69 0.00 0.00 178.15 178.23 1wx7 h GLN 40 N 1.20 0.00 -0.13 2.37 3.07 -1.85 -2.63 115.11 117.13 1wx7 h GLN 40 Ca 0.30 0.00 -0.17 0.00 0.09 0.00 0.00 58.65 58.87 1wx7 h GLN 40 Cb 0.03 0.00 0.01 0.00 0.08 0.00 0.00 27.48 27.60 1wx7 h GLN 40 CO -0.05 0.19 -0.60 1.96 0.09 0.00 0.00 178.83 180.42 1wx7 h GLN 41 N 0.00 0.64 -0.34 0.06 4.20 -1.67 -3.28 115.11 114.72 1wx7 h GLN 41 Ca -0.00 -0.51 -0.02 0.00 0.06 0.00 0.00 58.65 58.18 1wx7 h GLN 41 Cb 0.46 0.10 -0.01 0.00 0.30 0.00 0.00 27.48 28.33 1wx7 h GLN 41 CO 0.02 1.13 0.13 1.25 -0.67 0.00 0.00 178.83 180.69 1wx7 h LEU 42 N 0.30 0.48 -0.86 1.46 5.85 -1.21 -3.08 115.31 118.24 1wx7 h LEU 42 Ca -0.04 -0.18 0.15 0.00 0.84 0.00 0.00 57.88 58.66 1wx7 h LEU 42 Cb 1.23 -0.12 -0.15 0.00 0.37 0.00 0.00 40.66 41.99 1wx7 h LEU 42 CO 0.12 0.53 -0.28 0.29 -0.34 0.00 0.00 178.44 178.76 1wx7 n LYS 43 N -4.69 -0.14 -0.27 1.25 4.76 -1.02 0.23 118.16 118.29 1wx7 n LYS 43 Ca -0.01 1.33 0.08 0.00 -2.87 0.00 0.00 58.31 56.84 1wx7 n LYS 43 Cb 0.15 -1.98 0.32 0.00 -1.84 0.00 0.00 35.03 31.67 1wx7 n LYS 43 CO 0.00 0.00 0.00 0.93 -1.37 0.00 0.00 177.40 176.96 1wx7 h GLU 44 N 0.00 0.81 0.39 1.97 5.08 -1.66 0.21 114.58 121.39 1wx7 h GLU 44 Ca 0.35 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.65 1wx7 h GLU 44 Cb 0.57 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.64 1wx7 h GLU 44 CO -0.87 0.54 -0.19 0.93 -1.00 0.00 0.00 179.01 178.42 1wx7 h GLU 45 N 0.84 -0.51 0.00 2.33 4.39 0.29 -3.02 114.58 118.90 1wx7 h GLU 45 Ca 0.41 0.03 0.00 0.00 0.34 0.00 0.00 59.36 60.14 1wx7 h GLU 45 Cb 0.44 0.11 0.00 0.00 -0.10 0.00 0.00 28.75 29.21 1wx7 h GLU 45 CO -0.17 -0.34 0.10 0.44 -1.16 0.00 0.00 179.01 177.88 1wx7 n ILE 46 N -4.09 1.21 -0.17 3.13 -5.35 -0.34 -1.26 119.36 112.49 1wx7 n ILE 46 Ca -0.07 0.64 -0.06 0.00 -0.27 0.00 0.00 62.75 63.00 1wx7 n ILE 46 Cb 0.21 -1.64 0.10 0.00 -1.74 0.00 0.00 39.64 36.57 1wx7 n ILE 46 CO 0.00 0.00 0.00 0.77 -1.76 0.00 0.00 176.55 175.56 1wx7 h SER 47 N 0.00 0.90 0.51 7.28 4.64 -0.81 0.67 113.55 126.74 1wx7 h SER 47 Ca 0.00 -0.22 -0.28 0.00 -0.47 0.00 0.00 61.79 60.82 1wx7 h SER 47 Cb 0.20 -0.24 -0.05 0.00 -0.31 0.00 0.00 62.40 62.00 1wx7 h SER 47 CO 0.00 0.94 -1.68 0.00 -0.87 0.00 0.00 176.83 175.22 1wx7 n GLN 48 N -4.21 0.63 0.12 4.77 10.64 -0.39 -0.58 117.38 128.37 1wx7 n GLN 48 Ca 0.03 0.30 -0.02 0.00 -1.83 0.00 0.00 57.00 55.48 1wx7 n GLN 48 Cb 0.30 -1.80 0.14 0.00 -0.86 0.00 0.00 30.24 28.03 1wx7 n GLN 48 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1wx7 h ARG 49 N 0.00 0.04 0.00 2.61 2.47 -1.42 -3.25 114.38 114.83 1wx7 h ARG 49 Ca -0.28 -0.03 0.00 0.00 -1.26 0.00 0.00 59.98 58.41 1wx7 h ARG 49 Cb 1.98 0.01 0.00 0.00 -1.65 0.00 0.00 29.97 30.31 1wx7 h ARG 49 CO 0.08 0.67 -0.73 1.19 0.56 0.00 0.00 179.97 181.73 1wx7 n PHE 50 N -3.79 0.00 -3.08 3.04 3.72 0.22 -5.02 117.46 112.55 1wx7 n PHE 50 Ca -0.01 0.00 -0.13 0.00 -0.05 0.00 0.00 57.45 57.25 1wx7 n PHE 50 Cb 0.64 -0.06 0.06 0.00 -0.94 0.00 0.00 39.48 39.18 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 -1.40 -4.98 -3.72 -1.08 4.76 0.26 -5.03 118.16 106.96 1wx7 n LYS 51 Ca 0.01 0.61 -0.15 0.00 -2.87 0.00 0.00 58.31 55.91 1wx7 n LYS 51 Cb 0.18 -4.94 -0.15 0.00 -1.84 0.00 0.00 35.03 28.28 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 -3.26 -0.18 0.28 7.82 0.00 -0.14 -5.00 121.76 121.28 1wx7 s ALA 52 Ca 0.08 0.59 -0.27 0.00 0.00 0.00 0.00 51.96 52.35 1wx7 s ALA 52 Cb -0.03 -0.57 -0.15 0.00 0.00 0.00 0.00 23.12 22.37 1wx7 s ALA 52 CO 0.53 -0.31 0.86 1.58 0.00 0.00 0.00 175.76 178.42 1wx7 n HIS 53 N 4.64 0.72 0.88 0.00 -0.00 -1.26 -4.24 115.22 115.95 1wx7 n HIS 53 Ca -0.18 0.76 0.08 0.00 0.46 0.00 0.00 57.72 58.83 1wx7 n HIS 53 Cb 0.51 -2.16 0.43 0.00 -0.12 0.00 0.00 29.99 28.65 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 0.76 0.39 -0.05 1.57 -0.04 -1.26 -2.26 135.00 134.11 1wx7 n PRO 54 Ca 0.12 0.05 0.11 0.00 -0.04 0.00 0.00 63.50 63.74 1wx7 n PRO 54 Cb 0.31 -1.50 0.46 0.00 -0.04 0.00 0.00 33.50 32.73 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 -1.10 1.36 0.00 3.54 8.00 -1.26 -4.06 116.55 123.03 1wx7 n ASP 55 Ca 0.10 -1.59 0.00 0.00 0.71 0.00 0.00 54.79 54.01 1wx7 n ASP 55 Cb 0.08 -0.06 0.00 0.00 -0.02 0.00 0.00 41.12 41.11 1wx7 n ASP 55 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1wx7 n GLN 56 N 0.10 1.63 -1.65 -1.24 10.64 -0.96 -4.90 117.38 121.01 1wx7 n GLN 56 Ca 0.17 0.00 -0.49 0.00 -1.83 0.00 0.00 57.00 54.85 1wx7 n GLN 56 Cb 0.30 -0.77 -0.05 0.00 -0.86 0.00 0.00 30.24 28.86 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 -1.47 2.64 -4.07 2.61 4.77 -1.17 -2.82 117.00 117.48 1wx7 n LEU 57 Ca 0.00 1.08 -0.31 0.00 -0.03 0.00 0.00 56.01 56.76 1wx7 n LEU 57 Cb 0.27 -1.33 -0.16 0.00 -2.33 0.00 0.00 43.42 39.86 1wx7 n LEU 57 CO 0.00 -0.51 -0.51 -0.69 -1.33 0.00 0.00 177.39 174.36 1wx7 s VAL 58 N 1.27 1.73 -0.08 4.08 1.01 -0.26 -4.95 120.40 123.19 1wx7 s VAL 58 Ca 0.83 -0.75 -0.10 0.00 0.00 0.00 0.00 61.98 61.96 1wx7 s VAL 58 Cb -0.79 -1.58 -0.05 0.00 0.00 0.00 0.00 36.38 33.96 1wx7 s VAL 58 CO 0.44 0.49 0.24 -0.76 0.00 0.00 0.00 175.10 175.50 1wx7 s LEU 59 N 1.22 4.41 -0.04 3.92 1.43 -1.26 0.46 118.68 128.82 1wx7 s LEU 59 Ca 0.00 0.63 0.02 0.00 -1.03 0.00 0.00 54.13 53.75 1wx7 s LEU 59 Cb -0.14 -2.26 0.01 0.00 0.03 0.00 0.00 46.19 43.84 1wx7 s LEU 59 CO -0.07 0.36 -0.07 -0.63 0.23 0.00 0.00 176.35 176.16 1wx7 s ILE 60 N -0.93 0.67 -0.22 -0.59 1.01 -1.06 -3.07 121.20 117.01 1wx7 s ILE 60 Ca 0.18 -0.26 -0.10 0.00 0.00 0.00 0.00 60.65 60.47 1wx7 s ILE 60 Cb -0.14 -0.64 0.08 0.00 0.01 0.00 0.00 42.46 41.78 1wx7 s ILE 60 CO 0.07 0.24 0.50 0.12 0.00 0.00 0.00 174.94 175.86 1wx7 s PHE 61 N 0.52 -0.85 -0.86 3.97 2.19 -0.61 -2.92 117.98 119.42 1wx7 s PHE 61 Ca -0.08 1.66 -0.03 0.00 0.33 0.00 0.00 56.93 58.81 1wx7 s PHE 61 Cb -0.11 0.42 0.00 0.00 -1.31 0.00 0.00 43.02 42.02 1wx7 s PHE 61 CO 0.01 -0.46 0.37 0.00 1.83 0.00 0.00 175.22 176.96 1wx7 n ALA 62 N 4.74 -0.55 -2.01 11.12 0.00 -1.26 -2.61 120.51 129.93 1wx7 n ALA 62 Ca -0.17 0.17 -0.19 0.00 0.00 0.00 0.00 53.44 53.25 1wx7 n ALA 62 Cb 0.54 -2.47 -0.04 0.00 0.00 0.00 0.00 19.45 17.48 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 -1.19 0.53 3.09 0.00 0.00 -1.26 -4.97 105.19 101.38 1wx7 n GLY 63 Ca -0.06 -0.11 -0.13 0.00 0.00 0.00 0.00 46.02 45.72 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 -4.36 0.24 -0.28 1.61 -2.85 -1.07 -5.12 119.74 107.90 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 0.10 -0.00 0.00 -2.06 0.00 0.00 37.83 35.87 1wx7 s LYS 64 CO 0.00 -0.04 1.35 0.42 0.10 0.00 0.00 175.35 177.18 1wx7 s ILE 65 N 0.20 4.07 0.63 3.79 -1.09 -1.26 -1.58 121.20 125.96 1wx7 s ILE 65 Ca -0.01 1.21 -0.17 0.00 -2.23 0.00 0.00 60.65 59.45 1wx7 s ILE 65 Cb -0.02 -4.08 -0.06 0.00 -1.58 0.00 0.00 42.46 36.72 1wx7 s ILE 65 CO -0.00 -0.44 0.61 0.18 -1.23 0.00 0.00 174.94 174.06 1wx7 n LEU 66 N 7.73 1.38 -4.86 2.97 4.77 -1.18 -4.99 117.00 122.83 1wx7 n LEU 66 Ca 0.15 0.70 -0.27 0.00 -0.03 0.00 0.00 56.01 56.56 1wx7 n LEU 66 Cb 0.46 -1.23 -0.04 0.00 -2.33 0.00 0.00 43.42 40.28 1wx7 n LEU 66 CO 0.63 -2.84 -0.17 -0.54 -1.33 0.00 0.00 177.39 173.14 1wx7 s LYS 67 N -2.45 3.16 0.05 3.23 -0.14 -1.26 -4.92 119.74 117.41 1wx7 s LYS 67 Ca 0.69 -0.70 -0.28 0.00 -1.36 0.00 0.00 55.97 54.32 1wx7 s LYS 67 Cb -0.41 -2.82 -0.17 0.00 -1.68 0.00 0.00 37.83 32.75 1wx7 s LYS 67 CO 0.54 0.52 1.51 -0.44 -0.76 0.00 0.00 175.35 176.72 1wx7 h ASP 68 N 2.48 -0.48 0.00 2.83 5.19 -1.94 -2.47 116.42 122.02 1wx7 h ASP 68 Ca -0.48 -0.05 0.00 0.00 -0.62 0.00 0.00 57.03 55.89 1wx7 h ASP 68 Cb 1.19 0.12 0.00 0.00 0.18 0.00 0.00 39.33 40.82 1wx7 h ASP 68 CO 0.67 -0.25 0.00 -0.81 -3.12 0.00 0.00 179.24 175.73 1wx7 n PRO 69 N -5.29 0.49 -3.64 3.56 -0.04 -1.26 -3.35 135.00 125.47 1wx7 n PRO 69 Ca -0.11 0.00 -0.40 0.00 -0.04 0.00 0.00 63.50 62.96 1wx7 n PRO 69 Cb 0.27 -1.27 -0.12 0.00 -0.04 0.00 0.00 33.50 32.34 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 -1.78 5.60 0.88 3.54 1.11 -0.93 -5.04 116.67 120.04 1wx7 s ASP 70 Ca 0.13 -0.94 -0.11 0.00 0.18 0.00 0.00 52.55 51.82 1wx7 s ASP 70 Cb 0.06 -1.98 0.12 0.00 1.07 0.00 0.00 42.92 42.18 1wx7 s ASP 70 CO 0.10 -0.34 1.11 -0.94 1.18 0.00 0.00 175.17 176.28 1wx7 s SER 71 N 1.53 3.45 0.36 0.27 1.04 -1.26 -3.77 113.70 115.31 1wx7 s SER 71 Ca 0.02 1.93 0.13 0.00 0.48 0.00 0.00 55.95 58.51 1wx7 s SER 71 Cb -0.19 -2.49 0.96 0.00 0.10 0.00 0.00 66.02 64.40 1wx7 s SER 71 CO 0.06 -2.73 1.77 -0.07 0.98 0.00 0.00 173.24 173.25 1wx7 h LEU 72 N -1.61 0.59 -0.67 2.42 3.38 -0.92 0.56 115.31 119.06 1wx7 h LEU 72 Ca -0.45 0.10 -0.12 0.00 0.09 0.00 0.00 57.88 57.50 1wx7 h LEU 72 Cb 1.26 -0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.99 1wx7 h LEU 72 CO 0.47 0.15 -0.56 0.00 0.09 0.00 0.00 178.44 178.59 1wx7 h ALA 73 N 1.65 0.88 -0.04 1.53 0.00 -1.56 0.95 119.26 122.67 1wx7 h ALA 73 Ca 0.59 -0.51 -0.14 0.00 0.00 0.00 0.00 54.91 54.86 1wx7 h ALA 73 Cb 1.25 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.94 1wx7 h ALA 73 CO -0.35 0.69 -0.61 1.96 0.00 0.00 0.00 179.25 180.95 1wx7 h GLN 74 N 0.00 0.15 0.00 0.00 4.20 -0.21 -3.05 115.11 116.20 1wx7 h GLN 74 Ca -0.01 -0.10 -0.07 0.00 0.06 0.00 0.00 58.65 58.53 1wx7 h GLN 74 Cb 1.13 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.91 1wx7 h GLN 74 CO 0.07 0.71 -0.78 0.00 -0.67 0.00 0.00 178.83 178.16 1wx7 n GLY 76 N 1.23 1.01 3.76 0.00 0.00 -0.84 -4.93 105.19 105.42 1wx7 n GLY 76 Ca -0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.60 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 3.10 0.18 1.61 1.01 0.32 -4.95 120.40 119.68 1wx7 s VAL 77 Ca 0.00 1.06 0.04 0.00 0.00 0.00 0.00 61.98 63.07 1wx7 s VAL 77 Cb 0.00 -3.67 -0.01 0.00 0.00 0.00 0.00 36.38 32.69 1wx7 s VAL 77 CO 0.00 0.23 0.13 0.54 0.00 0.00 0.00 175.10 176.00 1wx7 n ARG 78 N 1.36 0.35 -2.38 2.72 5.12 -1.26 -3.93 116.66 118.63 1wx7 n ARG 78 Ca 0.01 -1.76 -0.40 0.00 -1.93 0.00 0.00 57.85 53.76 1wx7 n ARG 78 Cb 0.43 1.32 -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 -2.25 5.91 0.00 0.55 1.47 -1.26 -2.68 116.67 118.41 1wx7 s ASP 79 Ca 0.18 -0.12 0.00 0.00 1.18 0.00 0.00 52.55 53.80 1wx7 s ASP 79 Cb 0.01 -2.55 0.00 0.00 -0.34 0.00 0.00 42.92 40.04 1wx7 s ASP 79 CO 0.13 -1.97 0.00 0.61 0.68 0.00 0.00 175.17 174.62 1wx7 n GLY 80 N 5.45 1.23 3.93 2.12 0.00 -1.13 -4.84 105.19 111.96 1wx7 n GLY 80 Ca 0.09 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.86 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 3.08 0.14 0.99 1.43 -1.09 -4.95 118.68 118.28 1wx7 s LEU 81 Ca 0.00 0.45 0.08 0.00 -1.03 0.00 0.00 54.13 53.63 1wx7 s LEU 81 Cb 0.00 -3.21 -0.04 0.00 0.03 0.00 0.00 46.19 42.97 1wx7 s LEU 81 CO 0.00 -1.29 -0.19 -0.89 0.23 0.00 0.00 176.35 174.22 1wx7 s THR 82 N -3.04 1.75 -0.11 5.49 2.01 -1.26 -2.09 115.64 118.39 1wx7 s THR 82 Ca 0.57 -1.78 -0.03 0.00 0.31 0.00 0.00 61.69 60.76 1wx7 s THR 82 Cb -0.11 -1.72 0.05 0.00 0.01 0.00 0.00 72.50 70.73 1wx7 s THR 82 CO 0.43 -0.24 0.10 -0.69 -0.69 0.00 0.00 174.62 173.54 1wx7 s VAL 83 N -1.76 -0.15 -0.53 3.82 1.01 0.92 -4.91 120.40 118.79 1wx7 s VAL 83 Ca 0.12 0.16 -0.27 0.00 0.00 0.00 0.00 61.98 61.99 1wx7 s VAL 83 Cb -0.07 -0.37 -0.01 0.00 0.00 0.00 0.00 36.38 35.92 1wx7 s VAL 83 CO 0.06 -0.02 1.75 -1.00 0.00 0.00 0.00 175.10 175.88 1wx7 s HIS 84 N 2.19 1.83 0.34 5.22 3.76 -1.15 -0.15 115.29 127.34 1wx7 s HIS 84 Ca 0.04 0.69 -0.11 0.00 -0.15 0.00 0.00 55.06 55.52 1wx7 s HIS 84 Cb -0.14 -4.16 -0.07 0.00 1.11 0.00 0.00 32.58 29.32 1wx7 s HIS 84 CO -0.06 -2.40 0.70 -1.17 -0.85 0.00 0.00 174.74 170.96 1wx7 s LEU 85 N 7.90 3.98 -0.21 0.89 2.96 0.53 -2.57 118.68 132.15 1wx7 s LEU 85 Ca 0.67 1.10 -0.04 0.00 -0.22 0.00 0.00 54.13 55.64 1wx7 s LEU 85 Cb -0.15 -3.93 0.07 0.00 0.50 0.00 0.00 46.19 42.68 1wx7 s LEU 85 CO 0.25 -0.27 0.10 -0.69 -1.32 0.00 0.00 176.35 174.42 1wx7 s VAL 86 N -2.14 -0.01 -0.07 1.68 1.01 0.17 -4.11 120.40 116.94 1wx7 s VAL 86 Ca 0.51 -0.42 -0.28 0.00 0.00 0.00 0.00 61.98 61.79 1wx7 s VAL 86 Cb -0.10 -0.77 -0.02 0.00 0.00 0.00 0.00 36.38 35.49 1wx7 s VAL 86 CO 0.25 -0.43 0.93 -0.63 0.00 0.00 0.00 175.10 175.23 1wx7 s ILE 87 N 2.09 4.86 0.08 2.22 1.09 -1.26 -1.10 121.20 129.18 1wx7 s ILE 87 Ca 0.04 1.92 0.01 0.00 -1.10 0.00 0.00 60.65 61.52 1wx7 s ILE 87 Cb -0.16 -4.26 -0.25 0.00 -1.06 0.00 0.00 42.46 36.73 1wx7 s ILE 87 CO -0.18 0.10 1.14 0.11 -0.10 0.00 0.00 174.94 176.01 1wx7 h LYS 88 N 6.97 0.15 -5.74 2.79 1.79 -1.90 -3.49 116.57 117.15 1wx7 h LYS 88 Ca -0.36 -0.26 -0.36 0.00 -2.18 0.00 0.00 60.65 57.49 1wx7 h LYS 88 Cb 1.18 0.10 0.15 0.00 -1.58 0.00 0.00 32.23 32.08 1wx7 h LYS 88 CO 0.80 1.09 -0.72 0.54 -1.08 0.00 0.00 179.45 180.08 1wx7 n ARG 89 N -3.43 -7.32 -0.07 3.15 1.74 -1.26 -4.92 116.66 104.56 1wx7 n ARG 89 Ca -0.06 0.84 -0.10 0.00 -0.77 0.00 0.00 57.85 57.75 1wx7 n ARG 89 Cb 0.99 -5.87 -0.15 0.00 -1.02 0.00 0.00 32.46 26.42 1wx7 n ARG 89 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1wx7 n GLN 90 N -4.58 0.67 -1.63 5.56 10.64 -1.26 -4.96 117.38 121.82 1wx7 n GLN 90 Ca -0.13 0.13 -0.44 0.00 -1.83 0.00 0.00 57.00 54.73 1wx7 n GLN 90 Cb 0.61 -1.64 -0.01 0.00 -0.86 0.00 0.00 30.24 28.34 1wx7 n GLN 90 CO 0.00 0.00 0.00 1.58 -1.83 0.00 0.00 177.06 176.81 1wx7 n HIS 91 N -2.91 1.65 -0.00 2.61 -0.00 -1.26 -4.94 115.22 110.37 1wx7 n HIS 91 Ca -0.27 0.65 -0.04 0.00 0.46 0.00 0.00 57.72 58.52 1wx7 n HIS 91 Cb 1.11 -2.31 -0.01 0.00 -0.12 0.00 0.00 29.99 28.65 1wx7 n HIS 91 CO 0.00 0.00 0.00 0.54 0.46 0.00 0.00 176.34 177.34 1wx7 n ARG 92 N 0.69 0.19 -3.15 1.57 5.12 -1.26 -5.07 116.66 114.76 1wx7 n ARG 92 Ca 0.08 0.08 0.05 0.00 -1.93 0.00 0.00 57.85 56.12 1wx7 n ARG 92 Cb 0.33 -0.84 -0.01 0.00 -1.16 0.00 0.00 32.46 30.79 1wx7 n ARG 92 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1wx7 s ALA 93 N -2.31 -2.92 0.08 7.54 0.00 -1.26 -5.17 121.76 117.71 1wx7 s ALA 93 Ca -0.11 1.59 -0.00 0.00 0.00 0.00 0.00 51.96 53.43 1wx7 s ALA 93 Cb 0.02 -2.38 -0.04 0.00 0.00 0.00 0.00 23.12 20.72 1wx7 s ALA 93 CO 0.16 -1.45 -0.02 -1.64 0.00 0.00 0.00 175.76 172.81 1wx7 s MET 94 N 2.91 0.72 -0.41 0.00 -1.94 -1.26 -5.12 119.30 114.20 1wx7 s MET 94 Ca 0.10 -1.29 0.04 0.00 -1.71 0.00 0.00 55.69 52.83 1wx7 s MET 94 Cb -0.12 0.14 0.17 0.00 2.01 0.00 0.00 34.83 37.02 1wx7 s MET 94 CO -0.16 -0.13 0.40 0.20 -0.01 0.00 0.00 175.02 175.32 1wx7 s GLY 95 N -2.97 0.42 -0.91 -0.03 0.00 -1.26 -5.07 107.32 97.50 1wx7 s GLY 95 Ca 0.12 -1.66 -0.20 0.00 0.00 0.00 0.00 44.72 42.98 1wx7 s GLY 95 CO -0.06 2.54 1.17 0.54 0.00 0.00 0.00 173.10 177.28 1wx7 s ASN 96 N 0.68 6.54 -0.51 1.64 2.20 -1.26 -4.91 114.94 119.32 1wx7 s ASN 96 Ca 0.26 -1.78 0.03 0.00 -0.94 0.00 0.00 52.86 50.44 1wx7 s ASN 96 Cb -0.05 -2.44 0.15 0.00 -2.00 0.00 0.00 41.25 36.91 1wx7 s ASN 96 CO -0.10 -1.21 0.34 -0.70 -2.94 0.00 0.00 177.10 172.49 1wx7 s GLU 97 N 3.34 1.53 -0.01 3.55 2.12 -1.26 -5.09 118.70 122.87 1wx7 s GLU 97 Ca 0.34 -2.42 -0.01 0.00 0.36 0.00 0.00 54.97 53.24 1wx7 s GLU 97 Cb -0.05 -2.41 0.01 0.00 0.26 0.00 0.00 34.13 31.93 1wx7 s GLU 97 CO -0.07 -1.26 0.03 0.00 -0.54 0.00 0.00 175.26 173.43 1wx7 s PRO 99 N 0.14 3.08 -0.20 0.00 0.04 -1.26 -4.96 135.00 131.84 1wx7 s PRO 99 Ca -0.01 1.03 -0.01 0.00 0.04 0.00 0.00 61.00 62.05 1wx7 s PRO 99 Cb -0.02 -4.25 0.06 0.00 0.04 0.00 0.00 34.50 30.33 1wx7 s PRO 99 CO -0.00 -2.17 -0.00 0.00 0.04 0.00 0.00 177.00 174.87 1wx7 s ALA 100 N 7.56 1.38 -0.16 8.56 0.00 -1.26 -5.01 121.76 132.83 1wx7 s ALA 100 Ca 0.72 -0.94 -0.15 0.00 0.00 0.00 0.00 51.96 51.59 1wx7 s ALA 100 Cb -0.17 -1.26 -0.05 0.00 0.00 0.00 0.00 23.12 21.64 1wx7 s ALA 100 CO 0.28 -1.14 -0.29 0.45 0.00 0.00 0.00 175.76 175.06 1wx7 n SER 101 N 4.90 1.74 0.00 0.00 2.88 -1.26 -5.09 113.62 116.78 1wx7 n SER 101 Ca -0.10 0.34 0.00 0.00 -1.33 0.00 0.00 58.87 57.78 1wx7 n SER 101 Cb 0.46 -0.73 0.00 0.00 -0.75 0.00 0.00 64.21 63.19 1wx7 n SER 101 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wx7 n GLY 102 N 1.49 0.71 0.00 0.46 0.00 -1.26 -5.00 105.19 101.59 1wx7 n GLY 102 Ca -0.12 -0.12 0.08 0.00 0.00 0.00 0.00 46.02 45.86 1wx7 n GLY 102 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1wx7 n PRO 103 N 0.00 0.49 -0.29 1.61 -0.04 -1.26 -4.06 135.00 131.45 1wx7 n PRO 103 Ca 0.00 0.00 -0.03 0.00 -0.04 0.00 0.00 63.50 63.43 1wx7 n PRO 103 Cb 0.00 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 31.96 1wx7 n PRO 103 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1wx7 n SER 104 N -1.00 -0.57 -4.55 3.54 3.41 -1.26 -4.27 113.62 108.92 1wx7 n SER 104 Ca 0.12 1.31 -0.32 0.00 -0.26 0.00 0.00 58.87 59.72 1wx7 n SER 104 Cb 0.05 -0.26 -0.11 0.00 -0.26 0.00 0.00 64.21 63.63 1wx7 n SER 104 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1wx7 s SER 105 N -5.30 4.35 0.00 4.04 0.01 -1.26 -5.33 113.70 110.21 1wx7 s SER 105 Ca -0.10 -0.24 0.23 0.00 1.31 0.00 0.00 55.95 57.16 1wx7 s SER 105 Cb 0.13 -0.93 1.37 0.00 0.21 0.00 0.00 66.02 66.81 1wx7 s SER 105 CO 0.51 0.27 1.74 0.61 0.41 0.00 0.00 173.24 176.79