#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 -0.34 -0.18 1.61 0.15 -1.26 -5.09 113.70 108.59 1wx7 s SER 2 Ca 0.00 -0.06 -0.14 0.00 0.70 0.00 0.00 55.95 56.45 1wx7 s SER 2 Cb 0.00 0.48 -0.08 0.00 -1.71 0.00 0.00 66.02 64.71 1wx7 s SER 2 CO 0.00 -0.78 -0.13 -0.24 1.20 0.00 0.00 173.24 173.29 1wx7 n SER 3 N 0.12 1.86 0.00 5.45 2.88 -1.26 -5.03 113.62 117.65 1wx7 n SER 3 Ca -0.17 0.50 0.00 0.00 -1.33 0.00 0.00 58.87 57.87 1wx7 n SER 3 Cb 0.62 -0.87 0.00 0.00 -0.75 0.00 0.00 64.21 63.21 1wx7 n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wx7 n GLY 4 N 1.51 2.09 3.00 0.46 0.00 -1.26 -5.14 105.19 105.85 1wx7 n GLY 4 Ca -0.19 -1.92 -0.13 0.00 0.00 0.00 0.00 46.02 43.78 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 -0.90 0.62 -0.07 1.61 1.04 -1.26 -5.15 113.70 109.59 1wx7 s SER 5 Ca 0.00 -0.34 -0.04 0.00 0.48 0.00 0.00 55.95 56.04 1wx7 s SER 5 Cb 0.00 0.01 -0.04 0.00 0.10 0.00 0.00 66.02 66.09 1wx7 s SER 5 CO 0.00 -0.11 0.13 -0.94 0.98 0.00 0.00 173.24 173.30 1wx7 s SER 6 N -0.94 6.17 1.30 7.02 1.04 -1.26 -5.10 113.70 121.94 1wx7 s SER 6 Ca -0.06 0.36 -0.19 0.00 0.48 0.00 0.00 55.95 56.55 1wx7 s SER 6 Cb -0.06 -1.93 0.31 0.00 0.10 0.00 0.00 66.02 64.43 1wx7 s SER 6 CO -0.00 0.35 0.79 0.61 0.98 0.00 0.00 173.24 175.97 1wx7 n GLY 7 N 1.62 -3.01 3.04 7.32 0.00 -1.26 -5.02 105.19 107.88 1wx7 n GLY 7 Ca -0.16 -1.36 -0.30 0.00 0.00 0.00 0.00 46.02 44.20 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 -2.60 2.69 0.71 1.61 1.04 -1.26 -5.13 113.70 110.77 1wx7 s SER 8 Ca 0.64 -0.49 -0.13 0.00 0.48 0.00 0.00 55.95 56.45 1wx7 s SER 8 Cb -0.17 -1.19 0.03 0.00 0.10 0.00 0.00 66.02 64.78 1wx7 s SER 8 CO 0.59 -0.03 1.10 -2.16 0.98 0.00 0.00 173.24 173.72 1wx7 s PRO 9 N 1.36 2.55 0.45 4.02 0.04 -1.26 -4.97 135.00 137.20 1wx7 s PRO 9 Ca 0.03 1.29 -0.24 0.00 0.04 0.00 0.00 61.00 62.12 1wx7 s PRO 9 Cb -0.13 -1.93 -0.09 0.00 0.04 0.00 0.00 34.50 32.39 1wx7 s PRO 9 CO -0.09 -1.43 1.19 0.00 0.04 0.00 0.00 177.00 176.71 1wx7 n ALA 10 N -2.91 0.97 -1.25 8.56 0.00 -1.26 -4.97 120.51 119.66 1wx7 n ALA 10 Ca 0.10 0.22 -0.31 0.00 0.00 0.00 0.00 53.44 53.45 1wx7 n ALA 10 Cb 0.52 -2.22 0.10 0.00 0.00 0.00 0.00 19.45 17.85 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 -2.29 2.09 0.86 0.00 0.04 -1.26 -5.06 135.00 129.39 1wx7 s PRO 11 Ca 0.64 1.11 -0.08 0.00 0.04 0.00 0.00 61.00 62.71 1wx7 s PRO 11 Cb -0.50 -1.88 0.19 0.00 0.04 0.00 0.00 34.50 32.34 1wx7 s PRO 11 CO 0.56 -1.74 1.18 1.33 0.04 0.00 0.00 177.00 178.36 1wx7 n VAL 12 N -3.58 0.00 -0.53 -0.36 0.24 -1.26 -5.06 118.33 107.77 1wx7 n VAL 12 Ca 0.09 -1.30 -0.28 0.00 -2.04 0.00 0.00 64.34 60.81 1wx7 n VAL 12 Cb 0.53 -1.19 0.20 0.00 -1.47 0.00 0.00 33.84 31.92 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 -3.35 -2.45 -3.55 7.34 -0.00 -1.26 -5.05 117.38 109.05 1wx7 n GLN 13 Ca 0.17 -0.71 -0.08 0.00 -0.00 0.00 0.00 57.00 56.38 1wx7 n GLN 13 Cb 0.59 -1.75 -0.03 0.00 -0.00 0.00 0.00 30.24 29.05 1wx7 n GLN 13 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.06 176.55 1wx7 s ASP 14 N -2.14 -0.30 0.00 2.61 1.01 -1.26 -5.10 116.67 111.49 1wx7 s ASP 14 Ca 0.55 0.11 0.00 0.00 0.71 0.00 0.00 52.55 53.92 1wx7 s ASP 14 Cb -0.13 0.29 0.00 0.00 1.01 0.00 0.00 42.92 44.09 1wx7 s ASP 14 CO 0.57 -0.42 0.00 -0.81 0.21 0.00 0.00 175.17 174.72 1wx7 n PRO 15 N 0.09 0.00 -0.41 8.23 -0.04 -1.26 -4.69 135.00 136.92 1wx7 n PRO 15 Ca -0.06 0.00 0.06 0.00 -0.04 0.00 0.00 63.50 63.46 1wx7 n PRO 15 Cb 0.60 -0.24 0.19 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 0.43 -1.54 0.54 8.25 -1.26 -5.01 115.22 116.63 1wx7 n HIS 16 Ca 0.00 -1.20 -0.39 0.00 -0.26 0.00 0.00 57.72 55.88 1wx7 n HIS 16 Cb 0.00 -0.28 -0.05 0.00 1.12 0.00 0.00 29.99 30.78 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 -1.10 2.16 -5.00 2.41 -0.00 -1.26 -2.76 117.00 111.45 1wx7 n LEU 17 Ca 0.21 -0.27 -0.20 0.00 -0.00 0.00 0.00 56.01 55.75 1wx7 n LEU 17 Cb 0.79 -1.48 0.03 0.00 -0.00 0.00 0.00 43.42 42.77 1wx7 n LEU 17 CO 0.07 -1.30 0.24 0.27 -0.00 0.00 0.00 177.39 176.67 1wx7 s ILE 18 N 11.00 2.22 -0.08 1.96 -4.36 0.12 -4.84 121.20 127.24 1wx7 s ILE 18 Ca 1.04 -1.11 0.01 0.00 -0.26 0.00 0.00 60.65 60.33 1wx7 s ILE 18 Cb -0.38 -2.34 -0.03 0.00 1.25 0.00 0.00 42.46 40.96 1wx7 s ILE 18 CO 0.32 0.00 -0.10 -0.75 0.24 0.00 0.00 174.94 174.65 1wx7 s LYS 19 N -4.51 2.82 -0.10 0.37 2.36 -1.26 -0.61 119.74 118.81 1wx7 s LYS 19 Ca 0.55 -0.61 -0.00 0.00 -2.55 0.00 0.00 55.97 53.36 1wx7 s LYS 19 Cb -0.06 -2.55 0.02 0.00 -1.05 0.00 0.00 37.83 34.20 1wx7 s LYS 19 CO 0.34 0.57 -0.06 0.08 1.55 0.00 0.00 175.35 177.82 1wx7 s VAL 20 N -0.56 0.89 -0.25 4.02 1.01 0.11 -2.20 120.40 123.42 1wx7 s VAL 20 Ca 0.08 -0.22 -0.18 0.00 0.00 0.00 0.00 61.98 61.66 1wx7 s VAL 20 Cb -0.12 -0.93 -0.03 0.00 0.00 0.00 0.00 36.38 35.31 1wx7 s VAL 20 CO 0.02 0.34 0.52 -0.89 0.00 0.00 0.00 175.10 175.09 1wx7 s THR 21 N 1.63 5.07 -0.40 3.92 2.01 -0.76 0.34 115.64 127.45 1wx7 s THR 21 Ca 0.03 0.91 -0.20 0.00 0.31 0.00 0.00 61.69 62.73 1wx7 s THR 21 Cb -0.13 -3.84 0.01 0.00 0.01 0.00 0.00 72.50 68.56 1wx7 s THR 21 CO -0.06 0.09 0.61 -0.69 -0.69 0.00 0.00 174.62 173.88 1wx7 s VAL 22 N 2.25 4.89 -0.43 3.82 1.01 0.10 0.09 120.40 132.13 1wx7 s VAL 22 Ca 0.22 0.28 -0.18 0.00 0.00 0.00 0.00 61.98 62.30 1wx7 s VAL 22 Cb -0.16 -4.11 0.03 0.00 0.00 0.00 0.00 36.38 32.14 1wx7 s VAL 22 CO 0.09 -0.43 0.48 -0.54 0.00 0.00 0.00 175.10 174.70 1wx7 s LYS 23 N 2.68 3.12 0.20 2.72 1.02 0.72 -2.25 119.74 127.95 1wx7 s LYS 23 Ca 0.22 -0.73 0.09 0.00 0.02 0.00 0.00 55.97 55.57 1wx7 s LYS 23 Cb -0.15 -3.98 -0.04 0.00 -0.52 0.00 0.00 37.83 33.14 1wx7 s LYS 23 CO 0.16 -0.90 -0.09 0.95 -0.92 0.00 0.00 175.35 174.55 1wx7 s THR 24 N 2.25 3.19 -2.00 2.17 -4.23 0.84 0.15 115.64 118.02 1wx7 s THR 24 Ca 0.14 -1.75 0.09 0.00 -1.18 0.00 0.00 61.69 58.99 1wx7 s THR 24 Cb -0.17 -2.61 0.26 0.00 1.34 0.00 0.00 72.50 71.32 1wx7 s THR 24 CO 0.14 -0.18 0.98 -0.81 -0.54 0.00 0.00 174.62 174.22 1wx7 n PRO 25 N -0.17 0.49 0.00 3.99 -0.04 -1.26 -2.47 135.00 135.54 1wx7 n PRO 25 Ca -0.10 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.36 1wx7 n PRO 25 Cb 0.56 -1.29 0.00 0.00 -0.04 0.00 0.00 33.50 32.73 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 -0.79 2.34 -3.98 0.54 5.02 -1.26 -5.12 118.16 114.91 1wx7 n LYS 26 Ca 0.07 0.00 0.02 0.00 -2.02 0.00 0.00 58.31 56.37 1wx7 n LYS 26 Cb 0.03 -0.88 0.01 0.00 -0.02 0.00 0.00 35.03 34.17 1wx7 n LYS 26 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1wx7 s ASP 27 N -2.10 0.01 -0.11 4.39 1.01 -1.03 -5.17 116.67 113.66 1wx7 s ASP 27 Ca 0.00 -0.29 -0.08 0.00 0.71 0.00 0.00 52.55 52.90 1wx7 s ASP 27 Cb 0.00 0.21 0.04 0.00 1.01 0.00 0.00 42.92 44.18 1wx7 s ASP 27 CO 0.00 -0.41 0.28 -1.59 0.21 0.00 0.00 175.17 173.66 1wx7 s LYS 28 N -2.04 0.28 0.05 8.23 0.00 -1.26 -0.11 119.74 124.89 1wx7 s LYS 28 Ca 0.28 0.51 -0.01 0.00 0.00 0.00 0.00 55.97 56.75 1wx7 s LYS 28 Cb -0.01 0.01 -0.04 0.00 0.00 0.00 0.00 37.83 37.80 1wx7 s LYS 28 CO 0.00 -0.11 -0.03 -2.00 0.00 0.00 0.00 175.35 173.21 1wx7 s GLU 29 N 0.81 0.57 -0.11 1.78 2.56 -0.95 -4.98 118.70 118.37 1wx7 s GLU 29 Ca -0.05 -1.10 -0.06 0.00 0.00 0.00 0.00 54.97 53.75 1wx7 s GLU 29 Cb -0.07 0.15 -0.04 0.00 2.00 0.00 0.00 34.13 36.18 1wx7 s GLU 29 CO -0.05 -0.09 0.10 -0.51 -0.56 0.00 0.00 175.26 174.15 1wx7 s ASP 30 N -2.63 6.08 0.28 -1.70 1.01 -1.26 0.03 116.67 118.48 1wx7 s ASP 30 Ca 0.03 0.38 0.09 0.00 0.71 0.00 0.00 52.55 53.75 1wx7 s ASP 30 Cb 0.04 -1.91 -0.06 0.00 1.01 0.00 0.00 42.92 42.00 1wx7 s ASP 30 CO -0.08 0.40 -0.11 -0.36 0.21 0.00 0.00 175.17 175.23 1wx7 s PHE 31 N -0.95 2.09 -0.19 4.23 0.40 0.15 -4.95 117.98 118.77 1wx7 s PHE 31 Ca 0.14 -0.56 -0.01 0.00 -0.60 0.00 0.00 56.93 55.91 1wx7 s PHE 31 Cb -0.12 -1.11 0.05 0.00 0.51 0.00 0.00 43.02 42.35 1wx7 s PHE 31 CO 0.03 0.45 -0.04 -1.54 0.70 0.00 0.00 175.22 174.83 1wx7 s SER 32 N -3.48 3.14 0.08 1.36 1.04 -1.26 0.04 113.70 114.62 1wx7 s SER 32 Ca 0.29 -0.84 -0.11 0.00 0.48 0.00 0.00 55.95 55.77 1wx7 s SER 32 Cb 0.01 -0.94 0.01 0.00 0.10 0.00 0.00 66.02 65.20 1wx7 s SER 32 CO 0.13 -0.22 0.25 0.68 0.98 0.00 0.00 173.24 175.06 1wx7 s VAL 33 N 1.60 0.11 0.37 5.02 -7.23 0.22 -4.93 120.40 115.56 1wx7 s VAL 33 Ca -0.01 -0.93 -0.26 0.00 -1.81 0.00 0.00 61.98 58.96 1wx7 s VAL 33 Cb -0.17 -1.16 -0.09 0.00 0.56 0.00 0.00 36.38 35.53 1wx7 s VAL 33 CO -0.07 -0.51 1.13 0.42 -0.31 0.00 0.00 175.10 175.75 1wx7 s THR 34 N -3.36 3.37 0.55 5.32 -4.23 -1.26 0.14 115.64 116.16 1wx7 s THR 34 Ca 0.01 1.19 0.27 0.00 -1.18 0.00 0.00 61.69 61.98 1wx7 s THR 34 Cb 0.02 -3.68 0.40 0.00 1.34 0.00 0.00 72.50 70.58 1wx7 s THR 34 CO -0.08 0.14 1.97 -2.24 -0.54 0.00 0.00 174.62 173.87 1wx7 h ASP 35 N 2.94 0.00 0.94 3.99 3.04 -1.88 0.43 116.42 125.87 1wx7 h ASP 35 Ca -0.48 0.00 -0.02 0.00 -3.24 0.00 0.00 57.03 53.29 1wx7 h ASP 35 Cb 1.22 0.00 -0.00 0.00 -1.04 0.00 0.00 39.33 39.51 1wx7 h ASP 35 CO 0.64 0.00 -0.11 0.00 -2.04 0.00 0.00 179.24 177.73 1wx7 h THR 36 N 0.00 0.29 -3.06 1.15 1.03 -1.91 -2.09 112.91 108.32 1wx7 h THR 36 Ca 0.25 -0.79 -0.58 0.00 -0.01 0.00 0.00 66.41 65.28 1wx7 h THR 36 Cb 1.09 1.62 0.16 0.00 -1.07 0.00 0.00 68.15 69.95 1wx7 h THR 36 CO -0.00 0.11 -0.17 0.00 -0.01 0.00 0.00 175.52 175.45 1wx7 s THR 38 N -1.56 5.28 0.26 0.00 -4.23 -1.26 -1.45 115.64 112.68 1wx7 s THR 38 Ca 0.69 -0.58 -0.02 0.00 -1.18 0.00 0.00 61.69 60.60 1wx7 s THR 38 Cb -0.48 -3.74 0.26 0.00 1.34 0.00 0.00 72.50 69.88 1wx7 s THR 38 CO 0.53 -0.12 1.86 0.40 -0.54 0.00 0.00 174.62 176.74 1wx7 h ILE 39 N 1.59 1.01 0.00 2.99 1.08 -1.67 -0.12 117.51 122.40 1wx7 h ILE 39 Ca -0.48 -0.36 -0.04 0.00 -0.39 0.00 0.00 64.86 63.58 1wx7 h ILE 39 Cb 1.19 -0.13 -0.01 0.00 -3.07 0.00 0.00 36.82 34.81 1wx7 h ILE 39 CO 0.68 0.19 -0.21 0.06 -0.69 0.00 0.00 178.15 178.19 1wx7 h GLN 40 N 1.05 0.00 -0.25 2.37 3.07 -1.85 -2.57 115.11 116.93 1wx7 h GLN 40 Ca 0.44 0.00 -0.11 0.00 0.09 0.00 0.00 58.65 59.07 1wx7 h GLN 40 Cb 0.28 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 27.84 1wx7 h GLN 40 CO -0.21 0.21 -0.29 1.96 0.09 0.00 0.00 178.83 180.59 1wx7 h GLN 41 N 0.00 0.64 -0.62 0.06 4.20 -1.39 -3.21 115.11 114.79 1wx7 h GLN 41 Ca -0.00 -0.35 -0.02 0.00 0.06 0.00 0.00 58.65 58.34 1wx7 h GLN 41 Cb 0.39 0.02 -0.03 0.00 0.30 0.00 0.00 27.48 28.16 1wx7 h GLN 41 CO 0.03 0.96 0.30 1.25 -0.67 0.00 0.00 178.83 180.70 1wx7 h LEU 42 N 0.35 0.81 -0.98 1.46 5.85 -1.13 -2.91 115.31 118.75 1wx7 h LEU 42 Ca 0.03 -0.13 0.23 0.00 0.84 0.00 0.00 57.88 58.86 1wx7 h LEU 42 Cb 0.86 -0.21 -0.19 0.00 0.37 0.00 0.00 40.66 41.49 1wx7 h LEU 42 CO 0.07 0.71 -0.12 0.11 -0.34 0.00 0.00 178.44 178.86 1wx7 h LYS 43 N 0.85 0.00 -0.15 1.25 1.79 -1.46 1.78 116.57 120.64 1wx7 h LYS 43 Ca 0.21 -0.00 -0.05 0.00 -2.18 0.00 0.00 60.65 58.63 1wx7 h LYS 43 Cb 0.11 -0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.75 1wx7 h LYS 43 CO -0.03 0.00 -0.14 0.93 -1.08 0.00 0.00 179.45 179.13 1wx7 h GLU 44 N 0.00 0.24 -0.30 3.15 5.08 -1.62 0.29 114.58 121.42 1wx7 h GLU 44 Ca 0.53 -0.06 -0.14 0.00 -1.00 0.00 0.00 59.36 58.69 1wx7 h GLU 44 Cb 0.94 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 30.16 1wx7 h GLU 44 CO -0.97 0.39 -0.37 0.93 -1.00 0.00 0.00 179.01 177.98 1wx7 h GLU 45 N 0.23 0.79 0.00 2.33 5.08 0.26 -3.04 114.58 120.22 1wx7 h GLU 45 Ca 0.05 -0.44 0.00 0.00 -1.00 0.00 0.00 59.36 57.96 1wx7 h GLU 45 Cb 0.40 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.67 1wx7 h GLU 45 CO 0.02 1.07 -0.29 0.44 -1.00 0.00 0.00 179.01 179.26 1wx7 n ILE 46 N -4.16 0.21 -0.23 3.13 -5.35 0.18 -3.31 119.36 109.82 1wx7 n ILE 46 Ca -0.04 -0.12 -0.06 0.00 -0.27 0.00 0.00 62.75 62.26 1wx7 n ILE 46 Cb 0.53 -0.22 0.09 0.00 -1.74 0.00 0.00 39.64 38.29 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 1.01 0.49 7.28 4.64 -0.31 0.90 113.55 127.57 1wx7 h SER 47 Ca 0.00 -0.20 -0.29 0.00 -0.47 0.00 0.00 61.79 60.83 1wx7 h SER 47 Cb 0.61 -0.27 -0.04 0.00 -0.31 0.00 0.00 62.40 62.39 1wx7 h SER 47 CO 0.00 0.96 -1.65 0.06 -0.87 0.00 0.00 176.83 175.32 1wx7 h GLN 48 N 1.03 0.06 -0.19 4.77 3.07 -1.65 0.23 115.11 122.43 1wx7 h GLN 48 Ca 0.22 -0.10 -0.13 0.00 0.09 0.00 0.00 58.65 58.73 1wx7 h GLN 48 Cb 0.32 0.04 -0.01 0.00 0.08 0.00 0.00 27.48 27.91 1wx7 h GLN 48 CO -0.00 0.70 -0.43 -0.09 0.09 0.00 0.00 178.83 179.10 1wx7 h ARG 49 N 0.02 0.46 0.00 0.06 9.65 -1.53 -3.20 114.38 119.83 1wx7 h ARG 49 Ca -0.27 -0.24 0.00 0.00 -1.10 0.00 0.00 59.98 58.37 1wx7 h ARG 49 Cb 1.99 0.01 0.00 0.00 -1.39 0.00 0.00 29.97 30.58 1wx7 h ARG 49 CO 0.09 0.80 -0.82 1.19 2.80 0.00 0.00 179.97 184.04 1wx7 n PHE 50 N -4.01 0.00 -3.04 2.20 3.72 0.30 -5.01 117.46 111.61 1wx7 n PHE 50 Ca -0.02 0.00 -0.13 0.00 -0.05 0.00 0.00 57.45 57.25 1wx7 n PHE 50 Cb 0.52 -0.05 0.06 0.00 -0.94 0.00 0.00 39.48 39.06 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 -1.44 -4.70 -3.71 -1.08 4.76 0.35 -5.03 118.16 107.31 1wx7 n LYS 51 Ca 0.02 0.56 -0.17 0.00 -2.87 0.00 0.00 58.31 55.85 1wx7 n LYS 51 Cb 0.24 -4.73 -0.16 0.00 -1.84 0.00 0.00 35.03 28.54 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 -3.23 0.02 0.24 7.82 0.00 0.55 -4.99 121.76 122.16 1wx7 s ALA 52 Ca 0.14 0.39 -0.28 0.00 0.00 0.00 0.00 51.96 52.21 1wx7 s ALA 52 Cb -0.06 -0.53 -0.16 0.00 0.00 0.00 0.00 23.12 22.37 1wx7 s ALA 52 CO 0.48 -0.34 0.75 1.58 0.00 0.00 0.00 175.76 178.23 1wx7 n HIS 53 N 4.81 0.33 0.90 0.00 -0.00 -1.26 -4.12 115.22 115.87 1wx7 n HIS 53 Ca -0.14 0.85 0.08 0.00 0.46 0.00 0.00 57.72 58.96 1wx7 n HIS 53 Cb 0.50 -2.10 0.44 0.00 -0.12 0.00 0.00 29.99 28.72 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 0.87 0.41 0.00 1.57 -0.04 -1.26 -2.07 135.00 134.47 1wx7 n PRO 54 Ca 0.14 0.04 0.13 0.00 -0.04 0.00 0.00 63.50 63.78 1wx7 n PRO 54 Cb 0.28 -1.50 0.43 0.00 -0.04 0.00 0.00 33.50 32.67 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 -1.09 1.55 0.00 3.54 2.03 -1.26 -4.08 116.55 117.24 1wx7 n ASP 55 Ca 0.10 -1.40 0.00 0.00 0.52 0.00 0.00 54.79 54.01 1wx7 n ASP 55 Cb 0.07 0.05 0.00 0.00 -0.72 0.00 0.00 41.12 40.52 1wx7 n ASP 55 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1wx7 n GLN 56 N 0.09 2.42 -1.75 -0.67 10.64 -0.88 -4.93 117.38 122.30 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 0.38 -0.95 -0.03 0.00 -0.86 0.00 0.00 30.24 28.79 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 -3.28 4.38 -0.20 2.61 1.43 -1.16 -2.67 118.68 119.79 1wx7 s LEU 57 Ca 0.00 2.77 0.01 0.00 -1.03 0.00 0.00 54.13 55.88 1wx7 s LEU 57 Cb 0.00 -3.58 0.03 0.00 0.03 0.00 0.00 46.19 42.67 1wx7 s LEU 57 CO 0.00 -0.97 -0.14 -0.69 0.23 0.00 0.00 176.35 174.78 1wx7 s VAL 58 N 2.00 1.87 -0.02 -1.59 1.01 -0.13 -4.95 120.40 118.59 1wx7 s VAL 58 Ca 0.77 -1.04 -0.15 0.00 0.00 0.00 0.00 61.98 61.57 1wx7 s VAL 58 Cb -0.47 -1.83 -0.05 0.00 0.00 0.00 0.00 36.38 34.03 1wx7 s VAL 58 CO 0.34 0.31 0.40 -0.76 0.00 0.00 0.00 175.10 175.38 1wx7 s LEU 59 N 1.32 4.45 -0.08 3.92 1.43 -1.26 0.64 118.68 129.09 1wx7 s LEU 59 Ca 0.00 0.91 -0.01 0.00 -1.03 0.00 0.00 54.13 54.01 1wx7 s LEU 59 Cb -0.15 -2.56 0.03 0.00 0.03 0.00 0.00 46.19 43.53 1wx7 s LEU 59 CO -0.10 0.29 -0.04 -0.63 0.23 0.00 0.00 176.35 176.11 1wx7 s ILE 60 N -0.88 0.64 0.01 -0.59 1.01 -0.85 -2.97 121.20 117.57 1wx7 s ILE 60 Ca 0.23 -0.07 0.00 0.00 0.00 0.00 0.00 60.65 60.81 1wx7 s ILE 60 Cb -0.16 -0.72 -0.01 0.00 0.01 0.00 0.00 42.46 41.58 1wx7 s ILE 60 CO 0.12 0.29 -0.02 0.12 0.00 0.00 0.00 174.94 175.46 1wx7 s PHE 61 N 1.67 0.19 -1.17 3.97 2.19 -0.41 -2.44 117.98 121.98 1wx7 s PHE 61 Ca 0.02 -0.24 0.00 0.00 0.33 0.00 0.00 56.93 57.04 1wx7 s PHE 61 Cb -0.13 -0.13 0.00 0.00 -1.31 0.00 0.00 43.02 41.45 1wx7 s PHE 61 CO -0.05 -0.08 0.00 0.00 1.83 0.00 0.00 175.22 176.92 1wx7 n ALA 62 N 2.41 -0.69 -1.68 11.12 0.00 -1.26 0.19 120.51 130.60 1wx7 n ALA 62 Ca -0.17 0.12 -0.10 0.00 0.00 0.00 0.00 53.44 53.28 1wx7 n ALA 62 Cb 0.58 -1.55 -0.03 0.00 0.00 0.00 0.00 19.45 18.45 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 -0.75 0.66 2.96 0.00 0.00 -1.26 -5.01 105.19 101.79 1wx7 n GLY 63 Ca -0.15 -0.51 -0.12 0.00 0.00 0.00 0.00 46.02 45.24 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 -3.58 0.10 -0.26 1.61 -2.85 0.13 -5.12 119.74 109.78 1wx7 s LYS 64 Ca 0.00 0.13 -0.29 0.00 -1.00 0.00 0.00 55.97 54.81 1wx7 s LYS 64 Cb 0.00 0.05 -0.01 0.00 -2.06 0.00 0.00 37.83 35.80 1wx7 s LYS 64 CO 0.00 -0.01 1.45 0.42 0.10 0.00 0.00 175.35 177.31 1wx7 s ILE 65 N 0.06 3.93 0.18 3.79 -1.09 -1.26 -1.29 121.20 125.52 1wx7 s ILE 65 Ca -0.00 1.05 -0.33 0.00 -2.23 0.00 0.00 60.65 59.13 1wx7 s ILE 65 Cb -0.01 -3.93 -0.14 0.00 -1.58 0.00 0.00 42.46 36.80 1wx7 s ILE 65 CO 0.00 -0.38 1.50 0.18 -1.23 0.00 0.00 174.94 175.01 1wx7 n LEU 66 N 7.99 2.95 -4.87 2.97 4.77 -1.16 -4.96 117.00 124.69 1wx7 n LEU 66 Ca 0.17 1.11 -0.31 0.00 -0.03 0.00 0.00 56.01 56.94 1wx7 n LEU 66 Cb 0.46 -1.40 -0.04 0.00 -2.33 0.00 0.00 43.42 40.10 1wx7 n LEU 66 CO 0.64 -0.43 0.41 -0.54 -1.33 0.00 0.00 177.39 176.13 1wx7 s LYS 67 N 0.44 3.83 0.06 3.23 -0.14 -1.26 -4.89 119.74 121.02 1wx7 s LYS 67 Ca 0.76 0.48 -0.29 0.00 -1.36 0.00 0.00 55.97 55.56 1wx7 s LYS 67 Cb -0.69 -2.43 -0.17 0.00 -1.68 0.00 0.00 37.83 32.85 1wx7 s LYS 67 CO 0.42 0.06 1.55 -0.44 -0.76 0.00 0.00 175.35 176.18 1wx7 h ASP 68 N 1.65 -0.50 0.00 2.83 5.19 -1.94 -2.37 116.42 121.27 1wx7 h ASP 68 Ca -0.47 -0.03 0.00 0.00 -0.62 0.00 0.00 57.03 55.91 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 0.65 -0.29 0.00 -0.81 -3.12 0.00 0.00 179.24 175.66 1wx7 n PRO 69 N -5.31 0.49 -3.62 3.56 -0.04 -1.26 -3.37 135.00 125.44 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 0.27 -1.27 -0.10 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 -1.77 5.58 1.03 3.54 1.11 -0.89 -5.04 116.67 120.22 1wx7 s ASP 70 Ca 0.13 -1.66 -0.12 0.00 0.18 0.00 0.00 52.55 51.07 1wx7 s ASP 70 Cb 0.06 -1.96 0.18 0.00 1.07 0.00 0.00 42.92 42.27 1wx7 s ASP 70 CO 0.10 -0.57 0.93 -1.54 1.18 0.00 0.00 175.17 175.27 1wx7 n SER 71 N 4.87 -0.88 -0.29 0.27 3.41 -1.26 -3.91 113.62 115.83 1wx7 n SER 71 Ca -0.09 0.16 0.18 0.00 -0.26 0.00 0.00 58.87 58.86 1wx7 n SER 71 Cb 0.42 -1.33 0.45 0.00 -0.26 0.00 0.00 64.21 63.49 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 -2.16 0.54 -0.61 1.04 3.38 -0.59 0.33 115.31 117.24 1wx7 h LEU 72 Ca -0.50 0.07 -0.15 0.00 0.09 0.00 0.00 57.88 57.38 1wx7 h LEU 72 Cb 1.30 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 42.00 1wx7 h LEU 72 CO 0.43 0.19 -0.67 0.00 0.09 0.00 0.00 178.44 178.48 1wx7 h ALA 73 N 1.62 0.83 0.00 1.53 0.00 -1.59 0.79 119.26 122.44 1wx7 h ALA 73 Ca 0.53 -0.60 -0.14 0.00 0.00 0.00 0.00 54.91 54.70 1wx7 h ALA 73 Cb 1.13 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.81 1wx7 h ALA 73 CO -0.26 0.80 -0.67 1.96 0.00 0.00 0.00 179.25 181.08 1wx7 h GLN 74 N 0.08 0.00 0.00 0.00 4.20 -0.72 -3.06 115.11 115.62 1wx7 h GLN 74 Ca -0.01 0.00 -0.04 0.00 0.06 0.00 0.00 58.65 58.66 1wx7 h GLN 74 Cb 1.19 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.97 1wx7 h GLN 74 CO 0.10 0.67 -0.43 0.00 -0.67 0.00 0.00 178.83 178.49 1wx7 n GLY 76 N 1.17 1.16 3.78 0.00 0.00 -0.89 -4.89 105.19 105.52 1wx7 n GLY 76 Ca 0.02 0.00 -0.37 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 3.88 0.17 1.61 1.01 0.27 -4.98 120.40 120.36 1wx7 s VAL 77 Ca 0.00 1.54 0.03 0.00 0.00 0.00 0.00 61.98 63.55 1wx7 s VAL 77 Cb 0.00 -3.85 -0.01 0.00 0.00 0.00 0.00 36.38 32.52 1wx7 s VAL 77 CO 0.00 0.11 0.16 0.54 0.00 0.00 0.00 175.10 175.91 1wx7 n ARG 78 N 0.35 0.24 -2.38 2.72 5.12 -1.26 -4.10 116.66 117.34 1wx7 n ARG 78 Ca 0.03 -1.67 -0.41 0.00 -1.93 0.00 0.00 57.85 53.86 1wx7 n ARG 78 Cb 0.49 1.41 -0.03 0.00 -1.16 0.00 0.00 32.46 33.17 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 -2.19 6.04 0.00 0.55 1.47 -1.26 -2.63 116.67 118.65 1wx7 s ASP 79 Ca 0.20 0.18 0.00 0.00 1.18 0.00 0.00 52.55 54.10 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 0.14 -1.81 0.00 0.61 0.68 0.00 0.00 175.17 174.79 1wx7 n GLY 80 N 5.33 1.06 3.92 2.12 0.00 -0.93 -4.84 105.19 111.85 1wx7 n GLY 80 Ca 0.12 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.87 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 2.91 0.15 0.99 1.43 -1.08 -4.93 118.68 118.16 1wx7 s LEU 81 Ca 0.00 0.62 0.08 0.00 -1.03 0.00 0.00 54.13 53.80 1wx7 s LEU 81 Cb 0.00 -3.32 -0.04 0.00 0.03 0.00 0.00 46.19 42.86 1wx7 s LEU 81 CO 0.00 -1.45 -0.18 -0.89 0.23 0.00 0.00 176.35 174.06 1wx7 s THR 82 N -3.21 1.76 -0.10 5.49 2.01 -1.26 -1.82 115.64 118.50 1wx7 s THR 82 Ca 0.58 -1.85 -0.03 0.00 0.31 0.00 0.00 61.69 60.70 1wx7 s THR 82 Cb -0.11 -1.78 0.05 0.00 0.01 0.00 0.00 72.50 70.67 1wx7 s THR 82 CO 0.46 -0.29 0.11 -0.69 -0.69 0.00 0.00 174.62 173.52 1wx7 s VAL 83 N -1.95 -0.17 -0.54 3.82 1.01 0.11 -4.90 120.40 117.78 1wx7 s VAL 83 Ca 0.14 0.21 -0.27 0.00 0.00 0.00 0.00 61.98 62.06 1wx7 s VAL 83 Cb -0.06 -0.35 -0.01 0.00 0.00 0.00 0.00 36.38 35.96 1wx7 s VAL 83 CO 0.06 0.02 1.68 -1.00 0.00 0.00 0.00 175.10 175.86 1wx7 s HIS 84 N 2.22 1.92 0.31 5.22 3.76 -1.02 -0.20 115.29 127.49 1wx7 s HIS 84 Ca 0.04 0.62 -0.12 0.00 -0.15 0.00 0.00 55.06 55.45 1wx7 s HIS 84 Cb -0.13 -4.22 -0.08 0.00 1.11 0.00 0.00 32.58 29.26 1wx7 s HIS 84 CO -0.06 -2.32 0.68 -1.17 -0.85 0.00 0.00 174.74 171.02 1wx7 s LEU 85 N 7.51 4.06 -0.19 0.89 2.96 0.40 -2.00 118.68 132.31 1wx7 s LEU 85 Ca 0.64 1.14 -0.04 0.00 -0.22 0.00 0.00 54.13 55.64 1wx7 s LEU 85 Cb -0.14 -3.94 0.07 0.00 0.50 0.00 0.00 46.19 42.68 1wx7 s LEU 85 CO 0.25 -0.19 0.08 -0.69 -1.32 0.00 0.00 176.35 174.47 1wx7 s VAL 86 N -1.99 0.12 -0.24 1.68 1.01 0.21 -4.26 120.40 116.91 1wx7 s VAL 86 Ca 0.51 -0.37 -0.24 0.00 0.00 0.00 0.00 61.98 61.88 1wx7 s VAL 86 Cb -0.10 -0.78 -0.01 0.00 0.00 0.00 0.00 36.38 35.49 1wx7 s VAL 86 CO 0.21 -0.32 0.80 -0.63 0.00 0.00 0.00 175.10 175.16 1wx7 s ILE 87 N 2.04 4.86 -0.36 2.22 1.09 -1.26 -0.96 121.20 128.83 1wx7 s ILE 87 Ca 0.02 1.51 0.23 0.00 -1.10 0.00 0.00 60.65 61.31 1wx7 s ILE 87 Cb -0.16 -4.09 0.13 0.00 -1.06 0.00 0.00 42.46 37.27 1wx7 s ILE 87 CO -0.12 -0.06 1.29 0.11 -0.10 0.00 0.00 174.94 176.06 1wx7 h LYS 88 N 7.70 0.00 -6.54 2.79 1.79 -1.89 -3.48 116.57 116.94 1wx7 h LYS 88 Ca -0.24 0.00 -0.51 0.00 -2.18 0.00 0.00 60.65 57.72 1wx7 h LYS 88 Cb 1.10 0.00 -0.07 0.00 -1.58 0.00 0.00 32.23 31.68 1wx7 h LYS 88 CO 0.86 0.00 -0.89 0.54 -1.08 0.00 0.00 179.45 178.88 1wx7 n ARG 89 N -2.76 -3.17 -1.17 3.15 1.74 -1.26 -4.85 116.66 108.34 1wx7 n ARG 89 Ca 0.02 0.39 -0.22 0.00 -0.77 0.00 0.00 57.85 57.26 1wx7 n ARG 89 Cb 0.53 -4.51 0.18 0.00 -1.02 0.00 0.00 32.46 27.64 1wx7 n ARG 89 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 1wx7 n GLN 90 N -4.41 2.25 -3.45 5.56 6.02 -1.26 -4.83 117.38 117.26 1wx7 n GLN 90 Ca -0.29 -2.89 -0.43 0.00 -0.01 0.00 0.00 57.00 53.37 1wx7 n GLN 90 Cb 0.68 -2.14 -0.06 0.00 1.02 0.00 0.00 30.24 29.75 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 -3.16 3.51 -0.80 1.08 2.46 -1.26 -4.93 115.29 112.19 1wx7 s HIS 91 Ca 0.55 -1.93 -0.02 0.00 0.47 0.00 0.00 55.06 54.12 1wx7 s HIS 91 Cb 0.46 -3.63 0.37 0.00 -0.13 0.00 0.00 32.58 29.65 1wx7 s HIS 91 CO 0.11 -0.97 2.02 2.89 -2.47 0.00 0.00 174.74 176.31 1wx7 n ARG 92 N 4.40 2.75 -4.71 2.88 1.85 -1.26 -4.96 116.66 117.61 1wx7 n ARG 92 Ca 0.01 -3.48 -0.33 0.00 -1.00 0.00 0.00 57.85 53.05 1wx7 n ARG 92 Cb 0.42 -2.27 -0.13 0.00 -1.05 0.00 0.00 32.46 29.43 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 -4.01 2.81 0.59 2.89 0.00 -1.26 -5.11 121.76 117.66 1wx7 s ALA 93 Ca 0.55 -0.91 -0.17 0.00 0.00 0.00 0.00 51.96 51.44 1wx7 s ALA 93 Cb 0.46 -1.19 -0.04 0.00 0.00 0.00 0.00 23.12 22.35 1wx7 s ALA 93 CO -0.32 0.45 1.08 0.00 0.00 0.00 0.00 175.76 176.96 1wx7 s MET 94 N -0.37 3.27 0.25 0.00 0.23 -1.26 -5.06 119.30 116.36 1wx7 s MET 94 Ca 0.05 1.33 0.09 0.00 -1.03 0.00 0.00 55.69 56.12 1wx7 s MET 94 Cb -0.12 -2.02 -0.04 0.00 -1.53 0.00 0.00 34.83 31.12 1wx7 s MET 94 CO 0.02 -0.87 0.02 0.20 -2.03 0.00 0.00 175.02 172.37 1wx7 s GLY 95 N -2.47 1.63 -0.03 3.16 0.00 -1.26 -5.13 107.32 103.21 1wx7 s GLY 95 Ca 0.66 -1.57 0.07 0.00 0.00 0.00 0.00 44.72 43.88 1wx7 s GLY 95 CO 0.34 -1.63 -0.24 0.21 0.00 0.00 0.00 173.10 171.79 1wx7 s ASN 96 N -3.57 2.84 0.79 1.64 2.47 -1.26 -5.13 114.94 112.71 1wx7 s ASN 96 Ca 0.31 -0.45 -0.11 0.00 0.42 0.00 0.00 52.86 53.03 1wx7 s ASN 96 Cb -0.07 -0.50 0.07 0.00 -1.45 0.00 0.00 41.25 39.30 1wx7 s ASN 96 CO 0.20 0.27 1.09 -1.83 -3.72 0.00 0.00 177.10 173.11 1wx7 s GLU 97 N -0.39 2.09 -0.02 0.43 -1.05 -1.26 -4.92 118.70 113.59 1wx7 s GLU 97 Ca 0.04 0.92 -0.32 0.00 -0.15 0.00 0.00 54.97 55.46 1wx7 s GLU 97 Cb -0.11 -1.90 -0.11 0.00 -0.44 0.00 0.00 34.13 31.58 1wx7 s GLU 97 CO 0.01 -1.68 1.92 0.00 0.95 0.00 0.00 175.26 176.45 1wx7 s PRO 99 N 4.12 4.11 0.01 0.00 0.04 -1.26 -4.93 135.00 137.09 1wx7 s PRO 99 Ca 0.90 1.94 -0.37 0.00 0.04 0.00 0.00 61.00 63.51 1wx7 s PRO 99 Cb -0.57 -3.94 -0.16 0.00 0.04 0.00 0.00 34.50 29.88 1wx7 s PRO 99 CO 0.46 -0.90 1.51 0.00 0.04 0.00 0.00 177.00 178.11 1wx7 n ALA 100 N 7.26 -0.23 -2.91 8.56 0.00 -1.26 -4.95 120.51 126.99 1wx7 n ALA 100 Ca 0.17 0.46 -0.35 0.00 0.00 0.00 0.00 53.44 53.72 1wx7 n ALA 100 Cb 0.44 -2.19 -0.11 0.00 0.00 0.00 0.00 19.45 17.59 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 1.46 5.30 0.00 0.00 1.04 -1.26 -5.08 113.70 115.16 1wx7 s SER 101 Ca 0.87 -0.04 0.00 0.00 0.48 0.00 0.00 55.95 57.26 1wx7 s SER 101 Cb -0.91 -1.91 0.00 0.00 0.10 0.00 0.00 66.02 63.30 1wx7 s SER 101 CO 0.49 0.12 0.00 0.61 0.98 0.00 0.00 173.24 175.44 1wx7 n GLY 102 N 3.89 6.14 3.68 7.32 0.00 -1.26 -5.11 105.19 119.85 1wx7 n GLY 102 Ca -0.17 -1.67 -0.42 0.00 0.00 0.00 0.00 46.02 43.76 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 0.86 4.24 -0.08 1.61 0.04 -1.26 -5.01 135.00 135.39 1wx7 s PRO 103 Ca 0.00 2.02 0.01 0.00 0.04 0.00 0.00 61.00 63.07 1wx7 s PRO 103 Cb 0.00 -3.70 0.02 0.00 0.04 0.00 0.00 34.50 30.86 1wx7 s PRO 103 CO 0.00 -0.67 -0.09 -1.12 0.04 0.00 0.00 177.00 175.15 1wx7 s SER 104 N 2.30 1.87 -0.12 6.66 0.01 -1.26 -5.13 113.70 118.03 1wx7 s SER 104 Ca 0.66 -0.28 0.03 0.00 1.31 0.00 0.00 55.95 57.66 1wx7 s SER 104 Cb -0.31 -0.79 0.00 0.00 0.21 0.00 0.00 66.02 65.12 1wx7 s SER 104 CO 0.26 -0.04 -0.21 -0.94 0.41 0.00 0.00 173.24 172.72 1wx7 s SER 105 N 1.16 3.27 0.00 2.44 1.04 -1.26 -5.34 113.70 115.01 1wx7 s SER 105 Ca -0.05 -0.54 0.00 0.00 0.48 0.00 0.00 55.95 55.84 1wx7 s SER 105 Cb -0.14 -1.46 0.00 0.00 0.10 0.00 0.00 66.02 64.52 1wx7 s SER 105 CO -0.02 0.13 0.00 0.61 0.98 0.00 0.00 173.24 174.94