#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 2.52 -0.05 1.61 1.04 -1.26 -5.04 113.70 112.52 1wx7 s SER 2 Ca 0.00 -0.42 -0.26 0.00 0.48 0.00 0.00 55.95 55.75 1wx7 s SER 2 Cb 0.00 -0.69 -0.22 0.00 0.10 0.00 0.00 66.02 65.21 1wx7 s SER 2 CO 0.00 0.19 1.13 0.77 0.98 0.00 0.00 173.24 176.31 1wx7 h SER 3 N 6.17 0.04 -1.16 7.02 4.64 -2.11 -3.49 113.55 124.67 1wx7 h SER 3 Ca -0.32 -0.64 0.00 0.00 -0.47 0.00 0.00 61.79 60.36 1wx7 h SER 3 Cb 1.17 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.25 1wx7 h SER 3 CO 0.47 0.67 0.00 0.61 -0.87 0.00 0.00 176.83 177.71 1wx7 n GLY 4 N 0.63 0.74 3.55 -0.77 0.00 -1.26 -5.00 105.19 103.08 1wx7 n GLY 4 Ca -0.09 -0.44 -0.40 0.00 0.00 0.00 0.00 46.02 45.10 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 -2.23 5.91 0.04 1.61 0.15 -1.26 -4.63 113.70 113.30 1wx7 s SER 5 Ca 0.00 -0.38 0.00 0.00 0.70 0.00 0.00 55.95 56.27 1wx7 s SER 5 Cb 0.00 -2.55 0.00 0.00 -1.71 0.00 0.00 66.02 61.76 1wx7 s SER 5 CO 0.00 -1.99 0.00 -1.20 1.20 0.00 0.00 173.24 171.25 1wx7 n SER 6 N 10.47 0.17 0.00 5.45 7.64 -1.26 -5.17 113.62 130.92 1wx7 n SER 6 Ca 0.13 0.07 0.00 0.00 1.01 0.00 0.00 58.87 60.08 1wx7 n SER 6 Cb 0.50 -0.02 0.00 0.00 -1.01 0.00 0.00 64.21 63.68 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 2.54 -1.15 2.98 0.23 0.00 -1.26 -5.13 105.19 103.40 1wx7 n GLY 7 Ca 0.00 -1.15 -0.24 0.00 0.00 0.00 0.00 46.02 44.63 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 -4.00 1.72 1.05 1.61 0.01 -1.26 -5.15 113.70 107.68 1wx7 s SER 8 Ca 0.00 -0.27 -0.14 0.00 1.31 0.00 0.00 55.95 56.85 1wx7 s SER 8 Cb 0.00 -0.77 0.21 0.00 0.21 0.00 0.00 66.02 65.67 1wx7 s SER 8 CO 0.00 -0.01 1.10 -2.16 0.41 0.00 0.00 173.24 172.58 1wx7 s PRO 9 N 0.88 0.01 0.08 12.44 0.04 -1.26 -5.07 135.00 142.12 1wx7 s PRO 9 Ca -0.11 0.38 0.06 0.00 0.04 0.00 0.00 61.00 61.37 1wx7 s PRO 9 Cb -0.15 -1.70 -0.04 0.00 0.04 0.00 0.00 34.50 32.65 1wx7 s PRO 9 CO 0.01 -2.99 -0.06 0.00 0.04 0.00 0.00 177.00 174.00 1wx7 s ALA 10 N -2.97 3.06 0.24 8.56 0.00 -1.26 -5.10 121.76 124.29 1wx7 s ALA 10 Ca 0.67 -1.15 -0.30 0.00 0.00 0.00 0.00 51.96 51.17 1wx7 s ALA 10 Cb -0.17 -1.03 -0.09 0.00 0.00 0.00 0.00 23.12 21.82 1wx7 s ALA 10 CO 0.57 0.65 1.28 -1.25 0.00 0.00 0.00 175.76 177.01 1wx7 s PRO 11 N -2.04 4.42 -0.07 0.00 0.04 -1.26 -5.04 135.00 131.05 1wx7 s PRO 11 Ca 0.22 2.05 -0.09 0.00 0.04 0.00 0.00 61.00 63.21 1wx7 s PRO 11 Cb -0.11 -3.17 0.02 0.00 0.04 0.00 0.00 34.50 31.28 1wx7 s PRO 11 CO 0.13 -0.18 0.24 0.08 0.04 0.00 0.00 177.00 177.32 1wx7 s VAL 12 N -0.31 0.02 0.15 -0.36 1.01 -1.26 -5.17 120.40 114.48 1wx7 s VAL 12 Ca 0.53 -0.13 0.09 0.00 0.00 0.00 0.00 61.98 62.47 1wx7 s VAL 12 Cb -0.36 -0.39 -0.04 0.00 0.00 0.00 0.00 36.38 35.59 1wx7 s VAL 12 CO 0.42 -0.07 -0.21 0.00 0.00 0.00 0.00 175.10 175.24 1wx7 s GLN 13 N -0.20 1.27 0.03 2.72 -2.07 -1.26 -5.15 119.66 115.00 1wx7 s GLN 13 Ca -0.03 -1.34 -0.04 0.00 -1.82 0.00 0.00 55.36 52.13 1wx7 s GLN 13 Cb -0.03 -1.47 -0.02 0.00 -1.09 0.00 0.00 33.01 30.40 1wx7 s GLN 13 CO 0.01 0.32 0.05 -0.51 -1.32 0.00 0.00 175.29 173.84 1wx7 s ASP 14 N -2.37 0.21 0.00 12.60 1.01 -1.26 -5.13 116.67 121.73 1wx7 s ASP 14 Ca 0.13 -0.53 0.00 0.00 0.71 0.00 0.00 52.55 52.87 1wx7 s ASP 14 Cb -0.08 0.18 0.00 0.00 1.01 0.00 0.00 42.92 44.03 1wx7 s ASP 14 CO 0.06 -0.43 0.00 -0.81 0.21 0.00 0.00 175.17 174.20 1wx7 n PRO 15 N 1.06 0.00 -0.38 8.23 -0.04 -1.26 -4.69 135.00 137.93 1wx7 n PRO 15 Ca -0.21 0.00 0.07 0.00 -0.04 0.00 0.00 63.50 63.32 1wx7 n PRO 15 Cb 0.57 -0.22 0.20 0.00 -0.04 0.00 0.00 33.50 34.01 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 0.51 -1.54 0.54 8.25 -1.26 -5.02 115.22 116.70 1wx7 n HIS 16 Ca 0.00 -1.10 -0.45 0.00 -0.26 0.00 0.00 57.72 55.90 1wx7 n HIS 16 Cb 0.00 -0.27 -0.04 0.00 1.12 0.00 0.00 29.99 30.79 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 -1.03 2.81 -4.84 2.41 -0.00 -1.26 -2.49 117.00 112.61 1wx7 n LEU 17 Ca 0.21 0.24 -0.24 0.00 -0.00 0.00 0.00 56.01 56.22 1wx7 n LEU 17 Cb 0.80 -1.45 -0.04 0.00 -0.00 0.00 0.00 43.42 42.73 1wx7 n LEU 17 CO 0.08 -0.74 -0.04 0.27 -0.00 0.00 0.00 177.39 176.96 1wx7 s ILE 18 N 8.17 2.17 -0.09 1.96 -4.36 0.12 -4.88 121.20 124.29 1wx7 s ILE 18 Ca 1.04 -1.53 -0.00 0.00 -0.26 0.00 0.00 60.65 59.90 1wx7 s ILE 18 Cb -0.51 -2.69 -0.03 0.00 1.25 0.00 0.00 42.46 40.48 1wx7 s ILE 18 CO 0.40 0.00 -0.06 -0.75 0.24 0.00 0.00 174.94 174.77 1wx7 s LYS 19 N -4.10 2.98 -0.09 0.37 2.36 -1.26 -0.29 119.74 119.70 1wx7 s LYS 19 Ca 0.40 -0.53 -0.00 0.00 -2.55 0.00 0.00 55.97 53.29 1wx7 s LYS 19 Cb -0.00 -2.68 0.02 0.00 -1.05 0.00 0.00 37.83 34.12 1wx7 s LYS 19 CO 0.23 0.57 -0.05 0.08 1.55 0.00 0.00 175.35 177.73 1wx7 s VAL 20 N -0.55 0.79 -0.25 4.02 1.01 0.81 -2.49 120.40 123.73 1wx7 s VAL 20 Ca 0.08 -0.15 -0.17 0.00 0.00 0.00 0.00 61.98 61.74 1wx7 s VAL 20 Cb -0.12 -0.84 -0.03 0.00 0.00 0.00 0.00 36.38 35.39 1wx7 s VAL 20 CO 0.02 0.32 0.46 -0.89 0.00 0.00 0.00 175.10 175.01 1wx7 s THR 21 N 1.67 5.12 -0.43 3.92 2.01 -0.88 0.53 115.64 127.58 1wx7 s THR 21 Ca 0.03 0.77 -0.20 0.00 0.31 0.00 0.00 61.69 62.59 1wx7 s THR 21 Cb -0.13 -3.78 0.02 0.00 0.01 0.00 0.00 72.50 68.63 1wx7 s THR 21 CO -0.06 0.13 0.62 -0.69 -0.69 0.00 0.00 174.62 173.93 1wx7 s VAL 22 N 2.09 4.87 -0.46 3.82 1.01 0.04 0.07 120.40 131.84 1wx7 s VAL 22 Ca 0.19 0.11 -0.18 0.00 0.00 0.00 0.00 61.98 62.10 1wx7 s VAL 22 Cb -0.16 -4.17 0.04 0.00 0.00 0.00 0.00 36.38 32.10 1wx7 s VAL 22 CO 0.09 -0.54 0.49 -0.54 0.00 0.00 0.00 175.10 174.60 1wx7 s LYS 23 N 2.72 3.09 0.22 2.72 1.02 0.56 -2.09 119.74 127.99 1wx7 s LYS 23 Ca 0.21 -0.88 0.08 0.00 0.02 0.00 0.00 55.97 55.40 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 0.18 -1.00 0.04 0.95 -0.92 0.00 0.00 175.35 174.60 1wx7 s THR 24 N 2.23 3.79 -2.00 2.17 -4.23 0.92 0.19 115.64 118.71 1wx7 s THR 24 Ca 0.12 -1.56 0.09 0.00 -1.18 0.00 0.00 61.69 59.16 1wx7 s THR 24 Cb -0.19 -2.97 0.25 0.00 1.34 0.00 0.00 72.50 70.94 1wx7 s THR 24 CO 0.12 -0.24 0.98 -0.81 -0.54 0.00 0.00 174.62 174.13 1wx7 n PRO 25 N -0.56 0.49 0.00 3.99 -0.04 -1.26 -2.59 135.00 135.03 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 -1.28 0.00 0.00 -0.04 0.00 0.00 33.50 32.74 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 -0.78 2.85 -3.83 0.54 4.01 -1.26 -5.13 118.16 114.56 1wx7 n LYS 26 Ca 0.07 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.87 1wx7 n LYS 26 Cb 0.03 -0.88 0.02 0.00 -0.51 0.00 0.00 35.03 33.69 1wx7 n LYS 26 CO 0.00 0.00 0.00 -0.25 -1.11 0.00 0.00 177.40 176.04 1wx7 n ASP 27 N -1.58 -1.37 -3.80 4.39 8.00 -1.07 -5.17 116.55 115.95 1wx7 n ASP 27 Ca 0.00 -1.52 -0.13 0.00 0.71 0.00 0.00 54.79 53.86 1wx7 n ASP 27 Cb 0.33 2.17 -0.13 0.00 -0.02 0.00 0.00 41.12 43.47 1wx7 n ASP 27 CO 0.00 0.00 0.00 -1.59 -0.39 0.00 0.00 177.20 175.22 1wx7 s LYS 28 N -2.03 0.13 -0.01 -1.24 0.00 -1.26 -0.06 119.74 115.27 1wx7 s LYS 28 Ca 0.26 0.24 -0.01 0.00 0.00 0.00 0.00 55.97 56.45 1wx7 s LYS 28 Cb -0.02 -0.01 0.00 0.00 0.00 0.00 0.00 37.83 37.81 1wx7 s LYS 28 CO 0.02 -0.06 0.03 -2.00 0.00 0.00 0.00 175.35 173.34 1wx7 s GLU 29 N 0.42 0.04 0.16 1.78 2.56 -0.89 -4.98 118.70 117.79 1wx7 s GLU 29 Ca -0.03 0.05 -0.19 0.00 0.00 0.00 0.00 54.97 54.80 1wx7 s GLU 29 Cb -0.04 0.02 -0.07 0.00 2.00 0.00 0.00 34.13 36.03 1wx7 s GLU 29 CO -0.02 -0.01 0.64 0.16 -0.56 0.00 0.00 175.26 175.48 1wx7 s ASP 30 N 0.03 7.04 0.26 -1.70 -4.77 -1.26 -0.78 116.67 115.48 1wx7 s ASP 30 Ca -0.00 1.32 0.06 0.00 -3.30 0.00 0.00 52.55 50.62 1wx7 s ASP 30 Cb -0.00 -2.38 -0.05 0.00 -1.09 0.00 0.00 42.92 39.39 1wx7 s ASP 30 CO 0.00 0.14 -0.06 -0.36 0.70 0.00 0.00 175.17 175.59 1wx7 s PHE 31 N -1.35 1.81 -0.16 2.11 0.40 0.19 -4.95 117.98 116.02 1wx7 s PHE 31 Ca 0.37 -0.74 -0.01 0.00 -0.60 0.00 0.00 56.93 55.94 1wx7 s PHE 31 Cb -0.18 -1.01 0.04 0.00 0.51 0.00 0.00 43.02 42.38 1wx7 s PHE 31 CO 0.21 0.21 -0.01 -1.54 0.70 0.00 0.00 175.22 174.78 1wx7 s SER 32 N -3.39 2.60 0.07 1.36 1.04 -1.26 -0.14 113.70 113.99 1wx7 s SER 32 Ca 0.28 -0.60 -0.17 0.00 0.48 0.00 0.00 55.95 55.95 1wx7 s SER 32 Cb 0.04 -0.72 0.03 0.00 0.10 0.00 0.00 66.02 65.47 1wx7 s SER 32 CO 0.10 -0.22 0.40 0.68 0.98 0.00 0.00 173.24 175.17 1wx7 s VAL 33 N 1.77 0.06 0.38 5.02 -7.23 0.60 -4.93 120.40 116.08 1wx7 s VAL 33 Ca 0.01 -0.53 -0.26 0.00 -1.81 0.00 0.00 61.98 59.39 1wx7 s VAL 33 Cb -0.15 -1.03 -0.09 0.00 0.56 0.00 0.00 36.38 35.67 1wx7 s VAL 33 CO -0.07 -0.29 1.20 0.42 -0.31 0.00 0.00 175.10 176.05 1wx7 s THR 34 N -2.94 3.04 0.54 5.32 -4.23 -1.26 0.14 115.64 116.26 1wx7 s THR 34 Ca -0.02 0.92 0.28 0.00 -1.18 0.00 0.00 61.69 61.68 1wx7 s THR 34 Cb 0.00 -3.53 0.42 0.00 1.34 0.00 0.00 72.50 70.73 1wx7 s THR 34 CO -0.06 0.12 1.95 -2.24 -0.54 0.00 0.00 174.62 173.85 1wx7 h ASP 35 N 2.83 0.00 0.75 3.99 3.04 -1.85 0.46 116.42 125.64 1wx7 h ASP 35 Ca -0.49 0.00 -0.03 0.00 -3.24 0.00 0.00 57.03 53.27 1wx7 h ASP 35 Cb 1.23 0.00 -0.00 0.00 -1.04 0.00 0.00 39.33 39.52 1wx7 h ASP 35 CO 0.63 0.00 -0.14 0.00 -2.04 0.00 0.00 179.24 177.69 1wx7 h THR 36 N 0.00 0.41 -2.91 1.15 1.03 -1.90 -2.05 112.91 108.64 1wx7 h THR 36 Ca 0.30 -0.78 -0.59 0.00 -0.01 0.00 0.00 66.41 65.33 1wx7 h THR 36 Cb 1.26 1.56 0.16 0.00 -1.07 0.00 0.00 68.15 70.06 1wx7 h THR 36 CO -0.00 0.14 -0.30 0.00 -0.01 0.00 0.00 175.52 175.35 1wx7 s THR 38 N -1.61 5.27 0.21 0.00 -4.23 -1.26 -1.77 115.64 112.24 1wx7 s THR 38 Ca 0.68 -0.63 -0.10 0.00 -1.18 0.00 0.00 61.69 60.46 1wx7 s THR 38 Cb -0.48 -3.77 0.15 0.00 1.34 0.00 0.00 72.50 69.74 1wx7 s THR 38 CO 0.55 -0.18 1.86 0.40 -0.54 0.00 0.00 174.62 176.71 1wx7 h ILE 39 N 1.48 1.14 0.00 2.99 1.08 -1.67 -1.35 117.51 121.18 1wx7 h ILE 39 Ca -0.49 -0.32 -0.02 0.00 -0.39 0.00 0.00 64.86 63.63 1wx7 h ILE 39 Cb 1.20 0.12 -0.00 0.00 -3.07 0.00 0.00 36.82 35.07 1wx7 h ILE 39 CO 0.67 0.17 -0.12 0.06 -0.69 0.00 0.00 178.15 178.24 1wx7 h GLN 40 N 0.94 0.00 -0.11 2.37 3.07 -1.85 -2.45 115.11 117.08 1wx7 h GLN 40 Ca 0.28 0.00 -0.08 0.00 0.09 0.00 0.00 58.65 58.94 1wx7 h GLN 40 Cb -0.04 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.52 1wx7 h GLN 40 CO -0.09 0.12 -0.25 1.96 0.09 0.00 0.00 178.83 180.66 1wx7 h GLN 41 N 0.00 0.36 -0.62 0.06 4.20 -1.62 -3.26 115.11 114.23 1wx7 h GLN 41 Ca -0.00 -0.25 0.02 0.00 0.06 0.00 0.00 58.65 58.49 1wx7 h GLN 41 Cb 0.22 0.04 -0.04 0.00 0.30 0.00 0.00 27.48 28.00 1wx7 h GLN 41 CO 0.01 0.85 0.39 1.25 -0.67 0.00 0.00 178.83 180.67 1wx7 h LEU 42 N -0.08 0.64 -1.00 1.46 5.85 -1.06 -2.82 115.31 118.30 1wx7 h LEU 42 Ca -0.00 -0.00 0.17 0.00 0.84 0.00 0.00 57.88 58.88 1wx7 h LEU 42 Cb 0.86 -0.14 -0.17 0.00 0.37 0.00 0.00 40.66 41.58 1wx7 h LEU 42 CO 0.06 0.45 -0.36 0.29 -0.34 0.00 0.00 178.44 178.54 1wx7 n LYS 43 N -4.71 -0.20 -0.21 1.25 4.76 -0.96 0.18 118.16 118.29 1wx7 n LYS 43 Ca 0.06 1.54 0.16 0.00 -2.87 0.00 0.00 58.31 57.20 1wx7 n LYS 43 Cb 0.07 -2.29 0.49 0.00 -1.84 0.00 0.00 35.03 31.46 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 0.43 0.47 1.97 5.08 -1.61 0.29 114.58 121.21 1wx7 h GLU 44 Ca 0.38 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.69 1wx7 h GLU 44 Cb 0.63 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.79 1wx7 h GLU 44 CO -1.00 0.29 -0.23 0.93 -1.00 0.00 0.00 179.01 178.00 1wx7 h GLU 45 N 0.44 -0.61 0.00 2.33 5.08 0.19 -3.14 114.58 118.88 1wx7 h GLU 45 Ca 0.42 0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.82 1wx7 h GLU 45 Cb 0.96 0.14 0.00 0.00 0.50 0.00 0.00 28.75 30.35 1wx7 h GLU 45 CO -0.15 -0.40 0.00 0.44 -1.00 0.00 0.00 179.01 177.89 1wx7 n ILE 46 N -5.18 1.15 -0.18 3.13 -5.35 -0.39 -1.90 119.36 110.65 1wx7 n ILE 46 Ca -0.08 0.60 -0.06 0.00 -0.27 0.00 0.00 62.75 62.94 1wx7 n ILE 46 Cb 0.25 -1.58 0.11 0.00 -1.74 0.00 0.00 39.64 36.67 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 0.92 0.31 7.28 4.64 -0.38 -0.25 113.55 126.06 1wx7 h SER 47 Ca 0.00 -0.21 -0.33 0.00 -0.47 0.00 0.00 61.79 60.78 1wx7 h SER 47 Cb 0.07 -0.24 -0.04 0.00 -0.31 0.00 0.00 62.40 61.88 1wx7 h SER 47 CO 0.00 0.93 -1.90 0.00 -0.87 0.00 0.00 176.83 175.00 1wx7 n GLN 48 N -4.22 0.68 0.09 4.77 10.64 -0.80 -0.09 117.38 128.46 1wx7 n GLN 48 Ca 0.04 0.25 -0.00 0.00 -1.83 0.00 0.00 57.00 55.46 1wx7 n GLN 48 Cb 0.29 -1.73 0.29 0.00 -0.86 0.00 0.00 30.24 28.22 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 0.02 0.26 0.00 2.61 2.47 -1.44 -3.07 114.38 115.24 1wx7 h ARG 49 Ca -0.37 -0.09 0.00 0.00 -1.26 0.00 0.00 59.98 58.26 1wx7 h ARG 49 Cb 2.04 -0.02 0.00 0.00 -1.65 0.00 0.00 29.97 30.34 1wx7 h ARG 49 CO 0.07 0.53 -0.67 1.19 0.56 0.00 0.00 179.97 181.65 1wx7 n PHE 50 N -4.14 0.00 -3.03 3.04 3.72 -0.11 -5.01 117.46 111.92 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 0.38 -0.02 0.06 0.00 -0.94 0.00 0.00 39.48 38.97 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 -1.34 -4.78 -3.70 -1.08 4.76 -0.32 -5.04 118.16 106.66 1wx7 n LYS 51 Ca 0.02 0.61 -0.14 0.00 -2.87 0.00 0.00 58.31 55.93 1wx7 n LYS 51 Cb 0.21 -4.91 -0.14 0.00 -1.84 0.00 0.00 35.03 28.35 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 -0.41 0.27 7.82 0.00 0.88 -5.00 121.76 122.06 1wx7 s ALA 52 Ca 0.02 0.83 -0.27 0.00 0.00 0.00 0.00 51.96 52.53 1wx7 s ALA 52 Cb -0.01 -0.74 -0.15 0.00 0.00 0.00 0.00 23.12 22.22 1wx7 s ALA 52 CO 0.52 -0.39 0.74 1.58 0.00 0.00 0.00 175.76 178.22 1wx7 n HIS 53 N 4.76 0.31 0.53 0.00 -0.00 -1.26 -4.15 115.22 115.41 1wx7 n HIS 53 Ca -0.16 0.81 0.07 0.00 0.46 0.00 0.00 57.72 58.90 1wx7 n HIS 53 Cb 0.51 -2.10 0.32 0.00 -0.12 0.00 0.00 29.99 28.60 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 0.83 0.04 0.00 1.57 -0.04 -1.26 -2.26 135.00 133.89 1wx7 n PRO 54 Ca 0.13 0.23 0.16 0.00 -0.04 0.00 0.00 63.50 63.98 1wx7 n PRO 54 Cb 0.30 -1.50 0.89 0.00 -0.04 0.00 0.00 33.50 33.15 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 -1.46 0.20 0.00 3.54 2.03 -1.26 -3.69 116.55 115.91 1wx7 n ASP 55 Ca 0.04 -1.05 0.00 0.00 0.52 0.00 0.00 54.79 54.31 1wx7 n ASP 55 Cb 0.16 -0.01 0.00 0.00 -0.72 0.00 0.00 41.12 40.55 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 -0.85 2.97 -1.66 -0.67 10.64 -0.96 -4.95 117.38 121.89 1wx7 n GLN 56 Ca 0.23 0.00 -0.47 0.00 -1.83 0.00 0.00 57.00 54.93 1wx7 n GLN 56 Cb 0.15 -0.89 -0.05 0.00 -0.86 0.00 0.00 30.24 28.59 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 -1.70 2.92 -3.95 2.61 4.77 -1.16 -3.30 117.00 117.19 1wx7 n LEU 57 Ca 0.00 1.07 -0.29 0.00 -0.03 0.00 0.00 56.01 56.76 1wx7 n LEU 57 Cb 0.39 -1.38 -0.16 0.00 -2.33 0.00 0.00 43.42 39.94 1wx7 n LEU 57 CO 0.00 -0.37 -0.44 -0.69 -1.33 0.00 0.00 177.39 174.56 1wx7 s VAL 58 N 1.29 1.41 -0.08 4.08 1.01 -0.85 -4.97 120.40 122.29 1wx7 s VAL 58 Ca 0.82 -0.83 -0.20 0.00 0.00 0.00 0.00 61.98 61.77 1wx7 s VAL 58 Cb -0.73 -1.52 -0.04 0.00 0.00 0.00 0.00 36.38 34.09 1wx7 s VAL 58 CO 0.41 0.16 0.57 -0.76 0.00 0.00 0.00 175.10 175.48 1wx7 s LEU 59 N 1.50 4.32 -0.15 3.92 1.43 -1.26 0.15 118.68 128.60 1wx7 s LEU 59 Ca -0.00 1.00 0.01 0.00 -1.03 0.00 0.00 54.13 54.11 1wx7 s LEU 59 Cb -0.16 -2.85 0.02 0.00 0.03 0.00 0.00 46.19 43.23 1wx7 s LEU 59 CO -0.08 -0.01 -0.16 -0.63 0.23 0.00 0.00 176.35 175.70 1wx7 s ILE 60 N 0.47 1.70 -0.01 -0.59 1.01 -0.84 -2.53 121.20 120.41 1wx7 s ILE 60 Ca 0.30 -0.72 -0.01 0.00 0.00 0.00 0.00 60.65 60.22 1wx7 s ILE 60 Cb -0.17 -1.56 0.00 0.00 0.01 0.00 0.00 42.46 40.74 1wx7 s ILE 60 CO 0.14 0.48 0.03 0.12 0.00 0.00 0.00 174.94 175.71 1wx7 s PHE 61 N 1.33 -0.02 -1.39 3.97 2.19 -0.82 -2.49 117.98 120.76 1wx7 s PHE 61 Ca 0.03 0.05 -0.04 0.00 0.33 0.00 0.00 56.93 57.29 1wx7 s PHE 61 Cb -0.13 -0.00 0.02 0.00 -1.31 0.00 0.00 43.02 41.60 1wx7 s PHE 61 CO -0.09 -0.03 0.31 0.00 1.83 0.00 0.00 175.22 177.24 1wx7 n ALA 62 N 2.94 -0.89 -1.54 11.12 0.00 -1.26 -0.32 120.51 130.56 1wx7 n ALA 62 Ca -0.13 0.16 -0.16 0.00 0.00 0.00 0.00 53.44 53.31 1wx7 n ALA 62 Cb 0.59 -2.68 -0.06 0.00 0.00 0.00 0.00 19.45 17.30 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 -1.15 1.46 2.81 0.00 0.00 -1.26 -4.97 105.19 102.07 1wx7 n GLY 63 Ca -0.12 -0.25 -0.14 0.00 0.00 0.00 0.00 46.02 45.51 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 -3.48 -0.02 -0.14 1.61 -2.85 0.57 -5.11 119.74 110.31 1wx7 s LYS 64 Ca 0.00 0.13 -0.29 0.00 -1.00 0.00 0.00 55.97 54.80 1wx7 s LYS 64 Cb 0.00 -0.16 -0.05 0.00 -2.06 0.00 0.00 37.83 35.57 1wx7 s LYS 64 CO 0.00 -0.11 1.75 0.42 0.10 0.00 0.00 175.35 177.52 1wx7 s ILE 65 N 0.69 3.48 0.44 3.79 -1.09 -1.26 -1.95 121.20 125.29 1wx7 s ILE 65 Ca -0.06 0.55 -0.24 0.00 -2.23 0.00 0.00 60.65 58.68 1wx7 s ILE 65 Cb -0.08 -3.45 -0.10 0.00 -1.58 0.00 0.00 42.46 37.25 1wx7 s ILE 65 CO -0.02 -0.15 1.04 0.18 -1.23 0.00 0.00 174.94 174.76 1wx7 n LEU 66 N 8.37 2.91 -4.92 2.97 4.77 -1.05 -4.97 117.00 125.09 1wx7 n LEU 66 Ca 0.20 1.02 -0.29 0.00 -0.03 0.00 0.00 56.01 56.91 1wx7 n LEU 66 Cb 0.44 -1.38 -0.04 0.00 -2.33 0.00 0.00 43.42 40.11 1wx7 n LEU 66 CO 0.65 -1.40 -0.02 -0.54 -1.33 0.00 0.00 177.39 174.75 1wx7 s LYS 67 N -2.11 3.52 0.05 3.23 -0.14 -1.26 -4.90 119.74 118.14 1wx7 s LYS 67 Ca 0.64 -0.31 -0.28 0.00 -1.36 0.00 0.00 55.97 54.66 1wx7 s LYS 67 Cb -0.54 -2.89 -0.17 0.00 -1.68 0.00 0.00 37.83 32.55 1wx7 s LYS 67 CO 0.56 0.47 1.51 -0.44 -0.76 0.00 0.00 175.35 176.69 1wx7 h ASP 68 N 2.47 -0.48 0.00 2.83 5.19 -1.95 -2.47 116.42 122.02 1wx7 h ASP 68 Ca -0.47 -0.05 0.00 0.00 -0.62 0.00 0.00 57.03 55.89 1wx7 h ASP 68 Cb 1.18 0.12 0.00 0.00 0.18 0.00 0.00 39.33 40.81 1wx7 h ASP 68 CO 0.71 -0.25 0.00 -0.81 -3.12 0.00 0.00 179.24 175.77 1wx7 n PRO 69 N -5.28 0.49 -3.74 3.56 -0.04 -1.26 -3.53 135.00 125.19 1wx7 n PRO 69 Ca -0.11 0.00 -0.38 0.00 -0.04 0.00 0.00 63.50 62.97 1wx7 n PRO 69 Cb 0.27 -1.19 -0.12 0.00 -0.04 0.00 0.00 33.50 32.42 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 -1.70 5.34 0.92 3.54 1.11 -0.93 -5.05 116.67 119.90 1wx7 s ASP 70 Ca 0.09 -1.28 -0.11 0.00 0.18 0.00 0.00 52.55 51.43 1wx7 s ASP 70 Cb 0.04 -1.87 0.15 0.00 1.07 0.00 0.00 42.92 42.30 1wx7 s ASP 70 CO 0.07 -0.37 1.11 -0.94 1.18 0.00 0.00 175.17 176.22 1wx7 s SER 71 N 1.55 3.01 0.38 0.27 1.04 -1.26 -3.91 113.70 114.77 1wx7 s SER 71 Ca -0.00 1.95 0.15 0.00 0.48 0.00 0.00 55.95 58.52 1wx7 s SER 71 Cb -0.20 -2.48 1.00 0.00 0.10 0.00 0.00 66.02 64.43 1wx7 s SER 71 CO 0.02 -3.01 1.80 -0.07 0.98 0.00 0.00 173.24 172.96 1wx7 h LEU 72 N -1.80 0.53 -0.67 2.42 3.38 -0.66 0.45 115.31 118.96 1wx7 h LEU 72 Ca -0.47 0.08 -0.14 0.00 0.09 0.00 0.00 57.88 57.44 1wx7 h LEU 72 Cb 1.27 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.99 1wx7 h LEU 72 CO 0.46 0.16 -0.66 0.00 0.09 0.00 0.00 178.44 178.49 1wx7 h ALA 73 N 1.63 0.90 0.00 1.53 0.00 -1.61 0.46 119.26 122.17 1wx7 h ALA 73 Ca 0.56 -0.60 -0.14 0.00 0.00 0.00 0.00 54.91 54.73 1wx7 h ALA 73 Cb 1.24 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.91 1wx7 h ALA 73 CO -0.29 0.82 -0.65 1.96 0.00 0.00 0.00 179.25 181.09 1wx7 h GLN 74 N 0.01 0.00 0.00 0.00 4.20 -0.46 -3.14 115.11 115.72 1wx7 h GLN 74 Ca -0.01 0.00 -0.22 0.00 0.06 0.00 0.00 58.65 58.48 1wx7 h GLN 74 Cb 1.17 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.92 1wx7 h GLN 74 CO 0.09 0.65 -1.13 0.00 -0.67 0.00 0.00 178.83 177.77 1wx7 n GLY 76 N 1.39 1.43 3.77 0.00 0.00 -0.84 -4.93 105.19 106.01 1wx7 n GLY 76 Ca -0.04 0.00 -0.38 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 3.85 0.35 1.61 1.01 0.16 -4.99 120.40 120.39 1wx7 s VAL 77 Ca 0.00 1.64 0.07 0.00 0.00 0.00 0.00 61.98 63.69 1wx7 s VAL 77 Cb 0.00 -3.96 -0.03 0.00 0.00 0.00 0.00 36.38 32.39 1wx7 s VAL 77 CO 0.00 0.23 0.25 -0.13 0.00 0.00 0.00 175.10 175.45 1wx7 s ARG 78 N -1.85 1.82 -0.69 2.72 1.81 -1.26 -4.19 118.95 117.32 1wx7 s ARG 78 Ca 0.49 -2.08 -0.26 0.00 -1.72 0.00 0.00 55.73 52.16 1wx7 s ARG 78 Cb -0.25 0.14 -0.01 0.00 -0.45 0.00 0.00 34.95 34.38 1wx7 s ARG 78 CO 0.31 -0.63 1.70 0.34 -0.68 0.00 0.00 175.30 176.34 1wx7 s ASP 79 N -3.44 5.53 0.00 0.23 2.15 -1.26 -2.34 116.67 117.55 1wx7 s ASP 79 Ca 0.37 -0.02 0.00 0.00 0.43 0.00 0.00 52.55 53.33 1wx7 s ASP 79 Cb 0.02 -2.54 0.00 0.00 -0.30 0.00 0.00 42.92 40.10 1wx7 s ASP 79 CO 0.25 -2.24 0.00 0.61 -0.17 0.00 0.00 175.17 173.62 1wx7 n GLY 80 N 5.77 1.45 3.96 2.66 0.00 -1.04 -4.83 105.19 113.15 1wx7 n GLY 80 Ca 0.18 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.98 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 3.31 0.14 0.99 1.43 -0.99 -4.97 118.68 118.59 1wx7 s LEU 81 Ca 0.00 0.16 0.08 0.00 -1.03 0.00 0.00 54.13 53.34 1wx7 s LEU 81 Cb 0.00 -3.01 -0.04 0.00 0.03 0.00 0.00 46.19 43.17 1wx7 s LEU 81 CO 0.00 -1.09 -0.18 -0.89 0.23 0.00 0.00 176.35 174.42 1wx7 s THR 82 N -2.78 1.72 -0.11 5.49 2.01 -1.26 -2.06 115.64 118.64 1wx7 s THR 82 Ca 0.55 -1.78 -0.04 0.00 0.31 0.00 0.00 61.69 60.74 1wx7 s THR 82 Cb -0.10 -1.71 0.05 0.00 0.01 0.00 0.00 72.50 70.74 1wx7 s THR 82 CO 0.39 -0.25 0.09 -0.69 -0.69 0.00 0.00 174.62 173.47 1wx7 s VAL 83 N -1.79 -0.12 -0.53 3.82 1.01 0.11 -4.91 120.40 118.00 1wx7 s VAL 83 Ca 0.12 0.13 -0.27 0.00 0.00 0.00 0.00 61.98 61.95 1wx7 s VAL 83 Cb -0.07 -0.38 -0.01 0.00 0.00 0.00 0.00 36.38 35.92 1wx7 s VAL 83 CO 0.05 -0.05 1.76 -1.00 0.00 0.00 0.00 175.10 175.86 1wx7 s HIS 84 N 2.17 1.82 0.26 5.22 3.76 -1.04 -0.32 115.29 127.16 1wx7 s HIS 84 Ca 0.04 0.69 -0.11 0.00 -0.15 0.00 0.00 55.06 55.53 1wx7 s HIS 84 Cb -0.14 -4.16 -0.08 0.00 1.11 0.00 0.00 32.58 29.32 1wx7 s HIS 84 CO -0.06 -2.41 0.60 -1.17 -0.85 0.00 0.00 174.74 170.86 1wx7 s LEU 85 N 7.93 4.12 -0.25 0.89 2.96 0.51 -1.98 118.68 132.86 1wx7 s LEU 85 Ca 0.68 1.01 -0.02 0.00 -0.22 0.00 0.00 54.13 55.58 1wx7 s LEU 85 Cb -0.15 -3.79 0.08 0.00 0.50 0.00 0.00 46.19 42.83 1wx7 s LEU 85 CO 0.25 -0.12 0.06 -0.69 -1.32 0.00 0.00 176.35 174.53 1wx7 s VAL 86 N -1.89 0.70 -0.20 1.68 1.01 0.12 -4.06 120.40 117.77 1wx7 s VAL 86 Ca 0.49 -0.97 -0.26 0.00 0.00 0.00 0.00 61.98 61.24 1wx7 s VAL 86 Cb -0.11 -1.35 -0.01 0.00 0.00 0.00 0.00 36.38 34.91 1wx7 s VAL 86 CO 0.21 -0.44 0.88 -0.63 0.00 0.00 0.00 175.10 175.13 1wx7 s ILE 87 N 1.74 4.82 0.09 2.22 1.09 -1.26 -2.01 121.20 127.89 1wx7 s ILE 87 Ca 0.04 1.72 0.07 0.00 -1.10 0.00 0.00 60.65 61.38 1wx7 s ILE 87 Cb -0.17 -4.18 -0.22 0.00 -1.06 0.00 0.00 42.46 36.83 1wx7 s ILE 87 CO -0.17 -0.04 1.17 0.11 -0.10 0.00 0.00 174.94 175.90 1wx7 h LYS 88 N 7.44 0.02 -5.51 2.79 1.79 -1.94 -3.48 116.57 117.67 1wx7 h LYS 88 Ca -0.26 -0.03 -0.34 0.00 -2.18 0.00 0.00 60.65 57.84 1wx7 h LYS 88 Cb 1.11 0.01 0.15 0.00 -1.58 0.00 0.00 32.23 31.92 1wx7 h LYS 88 CO 0.88 0.94 -0.69 0.54 -1.08 0.00 0.00 179.45 180.03 1wx7 n ARG 89 N -3.31 -6.88 -2.06 3.15 5.12 -1.26 -4.93 116.66 106.49 1wx7 n ARG 89 Ca -0.03 0.79 -0.26 0.00 -1.93 0.00 0.00 57.85 56.42 1wx7 n ARG 89 Cb 0.96 -5.69 0.02 0.00 -1.16 0.00 0.00 32.46 26.59 1wx7 n ARG 89 CO 0.00 0.00 0.00 1.04 -1.93 0.00 0.00 177.63 176.74 1wx7 n GLN 90 N -4.34 3.45 -3.09 5.56 6.02 -1.26 -5.04 117.38 118.68 1wx7 n GLN 90 Ca -0.14 -4.14 -0.39 0.00 -0.01 0.00 0.00 57.00 52.32 1wx7 n GLN 90 Cb 0.61 -2.27 -0.05 0.00 1.02 0.00 0.00 30.24 29.55 1wx7 n GLN 90 CO 0.00 0.00 0.00 -3.38 -1.01 0.00 0.00 177.06 172.67 1wx7 s HIS 91 N -3.63 3.63 0.08 1.08 -3.43 -1.26 -4.96 115.29 106.80 1wx7 s HIS 91 Ca 0.52 1.25 -0.33 0.00 -0.80 0.00 0.00 55.06 55.70 1wx7 s HIS 91 Cb 0.42 -2.74 -0.16 0.00 -1.43 0.00 0.00 32.58 28.67 1wx7 s HIS 91 CO -0.04 0.20 1.60 0.00 -2.00 0.00 0.00 174.74 174.50 1wx7 h ARG 92 N 6.27 -0.87 -2.90 -0.38 3.08 -2.00 -3.47 114.38 114.11 1wx7 h ARG 92 Ca -0.43 0.06 0.05 0.00 0.07 0.00 0.00 59.98 59.73 1wx7 h ARG 92 Cb 1.20 0.20 -0.09 0.00 0.08 0.00 0.00 29.97 31.36 1wx7 h ARG 92 CO 0.73 -0.58 0.26 0.00 -1.07 0.00 0.00 179.97 179.31 1wx7 s ALA 93 N -5.99 -1.45 -1.18 0.04 0.00 -1.26 -5.09 121.76 106.83 1wx7 s ALA 93 Ca -0.18 0.14 -0.11 0.00 0.00 0.00 0.00 51.96 51.82 1wx7 s ALA 93 Cb 0.05 0.82 0.22 0.00 0.00 0.00 0.00 23.12 24.20 1wx7 s ALA 93 CO 0.62 -0.91 1.39 0.00 0.00 0.00 0.00 175.76 176.87 1wx7 n MET 94 N -0.41 3.56 0.00 0.00 0.00 -1.26 -4.98 117.12 114.03 1wx7 n MET 94 Ca -0.10 -4.07 0.00 0.00 0.00 0.00 0.00 57.70 53.53 1wx7 n MET 94 Cb 0.62 -2.82 0.00 0.00 0.00 0.00 0.00 33.22 31.02 1wx7 n MET 94 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1wx7 n GLY 95 N 3.22 1.78 0.24 3.17 0.00 -1.26 -5.05 105.19 107.30 1wx7 n GLY 95 Ca 0.32 -2.00 -0.12 0.00 0.00 0.00 0.00 46.02 44.22 1wx7 n GLY 95 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 1wx7 h ASN 96 N 0.00 -0.46 -6.71 1.61 -0.73 -2.09 -3.46 115.58 103.74 1wx7 h ASN 96 Ca 0.00 -0.11 -0.54 0.00 1.87 0.00 0.00 56.30 57.51 1wx7 h ASN 96 Cb 0.00 0.12 -0.18 0.00 0.27 0.00 0.00 38.32 38.53 1wx7 h ASN 96 CO 0.00 -0.04 -0.85 -0.62 -0.37 0.00 0.00 177.43 175.55 1wx7 n GLU 97 N -5.16 -3.15 -3.87 6.67 -0.58 -1.26 -4.91 120.64 108.38 1wx7 n GLU 97 Ca -0.09 0.37 -0.31 0.00 -0.42 0.00 0.00 57.16 56.71 1wx7 n GLU 97 Cb 0.28 -4.95 -0.12 0.00 -0.57 0.00 0.00 31.44 26.08 1wx7 n GLU 97 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1wx7 s PRO 99 N -0.81 2.78 -0.05 0.00 0.04 -1.26 -4.93 135.00 130.77 1wx7 s PRO 99 Ca 0.21 0.76 -0.36 0.00 0.04 0.00 0.00 61.00 61.64 1wx7 s PRO 99 Cb -0.15 -4.34 -0.14 0.00 0.04 0.00 0.00 34.50 29.90 1wx7 s PRO 99 CO -0.08 -2.54 1.65 0.00 0.04 0.00 0.00 177.00 176.08 1wx7 n ALA 100 N 12.18 0.24 -3.15 8.56 0.00 -1.26 -4.89 120.51 132.19 1wx7 n ALA 100 Ca 0.21 0.40 -0.45 0.00 0.00 0.00 0.00 53.44 53.60 1wx7 n ALA 100 Cb 0.51 -2.29 -0.01 0.00 0.00 0.00 0.00 19.45 17.66 1wx7 n ALA 100 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1wx7 s SER 101 N 2.42 7.06 0.00 0.00 0.01 -1.26 -4.80 113.70 117.13 1wx7 s SER 101 Ca 0.89 -3.04 0.00 0.00 1.31 0.00 0.00 55.95 55.12 1wx7 s SER 101 Cb -0.86 -2.30 0.00 0.00 0.21 0.00 0.00 66.02 63.07 1wx7 s SER 101 CO 0.52 -0.59 0.00 0.61 0.41 0.00 0.00 173.24 174.18 1wx7 n GLY 102 N 3.76 1.57 3.77 3.44 0.00 -1.26 -5.15 105.19 111.32 1wx7 n GLY 102 Ca 0.26 0.25 -0.38 0.00 0.00 0.00 0.00 46.02 46.16 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 -0.20 4.03 0.14 1.61 0.04 -1.26 -4.94 135.00 134.42 1wx7 s PRO 103 Ca 0.00 1.88 -0.27 0.00 0.04 0.00 0.00 61.00 62.65 1wx7 s PRO 103 Cb 0.00 -2.68 -0.06 0.00 0.04 0.00 0.00 34.50 31.80 1wx7 s PRO 103 CO 0.00 -0.35 1.35 0.43 0.04 0.00 0.00 177.00 178.47 1wx7 n SER 104 N 0.06 -0.91 -4.54 6.66 7.64 -1.26 -3.56 113.62 117.72 1wx7 n SER 104 Ca 0.04 1.56 -0.42 0.00 1.01 0.00 0.00 58.87 61.06 1wx7 n SER 104 Cb 0.46 -0.21 -0.03 0.00 -1.01 0.00 0.00 64.21 63.41 1wx7 n SER 104 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1wx7 s SER 105 N -5.35 6.31 0.00 6.43 0.15 -1.26 -5.31 113.70 114.66 1wx7 s SER 105 Ca -0.10 -0.31 0.00 0.00 0.70 0.00 0.00 55.95 56.24 1wx7 s SER 105 Cb 0.09 -2.51 0.00 0.00 -1.71 0.00 0.00 66.02 61.90 1wx7 s SER 105 CO 0.53 -1.50 0.00 0.61 1.20 0.00 0.00 173.24 174.08