#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wj6 s SER 2 N 0.00 3.27 0.24 1.61 0.15 -1.26 -5.16 113.70 112.56 1wj6 s SER 2 Ca 0.00 -1.08 -0.11 0.00 0.70 0.00 0.00 55.95 55.46 1wj6 s SER 2 Cb 0.00 -0.25 -0.01 0.00 -1.71 0.00 0.00 66.02 64.05 1wj6 s SER 2 CO 0.00 -0.11 0.42 -0.94 1.20 0.00 0.00 173.24 173.81 1wj6 s SER 3 N -3.48 -0.05 0.35 5.45 1.04 -1.26 -5.19 113.70 110.56 1wj6 s SER 3 Ca 0.29 -0.99 0.03 0.00 0.48 0.00 0.00 55.95 55.75 1wj6 s SER 3 Cb -0.01 0.55 -0.01 0.00 0.10 0.00 0.00 66.02 66.65 1wj6 s SER 3 CO 0.13 -1.09 0.40 -0.83 0.98 0.00 0.00 173.24 172.83 1wj6 s GLY 4 N -3.04 1.94 -0.27 7.32 0.00 -1.26 -5.16 107.32 106.86 1wj6 s GLY 4 Ca 0.25 -1.81 -0.04 0.00 0.00 0.00 0.00 44.72 43.12 1wj6 s GLY 4 CO 0.09 -1.23 0.52 -1.35 0.00 0.00 0.00 173.10 171.13 1wj6 s SER 5 N -3.32 -0.71 0.02 1.64 1.04 -1.26 -5.15 113.70 105.96 1wj6 s SER 5 Ca 0.35 0.86 -0.16 0.00 0.48 0.00 0.00 55.95 57.48 1wj6 s SER 5 Cb 0.01 1.78 0.05 0.00 0.10 0.00 0.00 66.02 67.96 1wj6 s SER 5 CO 0.25 -0.26 0.75 -1.20 0.98 0.00 0.00 173.24 173.76 1wj6 n SER 6 N 5.41 -0.82 -3.14 7.02 7.64 -1.26 -5.10 113.62 123.38 1wj6 n SER 6 Ca -0.05 -1.25 -0.21 0.00 1.01 0.00 0.00 58.87 58.37 1wj6 n SER 6 Cb 0.50 1.28 -0.05 0.00 -1.01 0.00 0.00 64.21 64.93 1wj6 n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wj6 n GLY 7 N -0.54 1.98 0.75 0.23 0.00 -1.26 -5.13 105.19 101.21 1wj6 n GLY 7 Ca 0.02 -1.08 -0.06 0.00 0.00 0.00 0.00 46.02 44.90 1wj6 n GLY 7 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1wj6 n PRO 8 N 1.90 -0.85 -0.95 1.61 -0.04 -1.26 -4.95 135.00 130.47 1wj6 n PRO 8 Ca 0.21 -0.39 0.12 0.00 -0.04 0.00 0.00 63.50 63.40 1wj6 n PRO 8 Cb 0.54 -0.31 -0.05 0.00 -0.04 0.00 0.00 33.50 33.64 1wj6 n PRO 8 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 1wj6 n HIS 9 N -2.68 -2.51 -2.91 0.54 8.25 -1.26 -4.97 115.22 109.69 1wj6 n HIS 9 Ca 0.03 1.34 -0.20 0.00 -0.26 0.00 0.00 57.72 58.64 1wj6 n HIS 9 Cb 0.12 -2.28 0.08 0.00 1.12 0.00 0.00 29.99 29.03 1wj6 n HIS 9 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 1wj6 n SER 10 N -3.64 1.83 -3.72 0.41 7.64 -1.26 -5.09 113.62 109.79 1wj6 n SER 10 Ca -0.04 -2.38 -0.29 0.00 1.01 0.00 0.00 58.87 57.17 1wj6 n SER 10 Cb 0.45 -0.48 0.28 0.00 -1.01 0.00 0.00 64.21 63.45 1wj6 n SER 10 CO 0.00 0.00 0.00 1.15 -3.01 0.00 0.00 175.04 173.18 1wj6 n MET 11 N -2.39 -3.90 -3.72 1.43 0.00 -1.26 -5.07 117.12 102.22 1wj6 n MET 11 Ca 0.16 -1.14 -0.11 0.00 0.00 0.00 0.00 57.70 56.61 1wj6 n MET 11 Cb 0.58 -1.97 -0.06 0.00 0.00 0.00 0.00 33.22 31.76 1wj6 n MET 11 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 175.97 174.14 1wj6 s GLU 12 N -4.69 0.92 -0.02 3.17 -1.05 -1.26 -5.07 118.70 110.70 1wj6 s GLU 12 Ca 0.66 -0.61 -0.22 0.00 -0.15 0.00 0.00 54.97 54.65 1wj6 s GLU 12 Cb -0.17 0.40 -0.22 0.00 -0.44 0.00 0.00 34.13 33.70 1wj6 s GLU 12 CO 0.59 -0.32 1.10 -1.00 0.95 0.00 0.00 175.26 176.58 1wj6 h PRO 13 N 2.84 0.29 -4.36 -4.83 0.13 -1.87 -3.44 132.00 120.76 1wj6 h PRO 13 Ca -0.33 -0.28 -0.44 0.00 -0.87 0.00 0.00 66.00 64.08 1wj6 h PRO 13 Cb 1.22 0.07 -0.08 0.00 0.13 0.00 0.00 31.00 32.34 1wj6 h PRO 13 CO 0.47 0.97 1.52 1.04 -0.23 0.00 0.00 178.00 181.77 1wj6 n GLN 14 N -4.40 0.00 -4.09 0.86 3.00 -1.12 -4.62 117.38 107.01 1wj6 n GLN 14 Ca -0.09 0.00 -0.35 0.00 -0.01 0.00 0.00 57.00 56.54 1wj6 n GLN 14 Cb 0.55 -1.30 -0.07 0.00 0.00 0.00 0.00 30.24 29.41 1wj6 n GLN 14 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.06 177.14 1wj6 s VAL 15 N 7.76 4.95 -0.44 5.09 1.01 -0.40 -4.79 120.40 133.58 1wj6 s VAL 15 Ca 1.18 -0.09 -0.17 0.00 0.00 0.00 0.00 61.98 62.90 1wj6 s VAL 15 Cb -1.10 -3.16 0.03 0.00 0.00 0.00 0.00 36.38 32.15 1wj6 s VAL 15 CO 0.43 0.55 0.46 -0.89 0.00 0.00 0.00 175.10 175.65 1wj6 s THR 16 N -1.03 5.07 -0.62 3.92 2.01 0.46 -1.20 115.64 124.26 1wj6 s THR 16 Ca 0.17 -0.42 -0.19 0.00 0.31 0.00 0.00 61.69 61.55 1wj6 s THR 16 Cb -0.12 -4.08 0.10 0.00 0.01 0.00 0.00 72.50 68.41 1wj6 s THR 16 CO 0.06 -0.49 0.77 -0.76 -0.69 0.00 0.00 174.62 173.51 1wj6 s LEU 17 N 2.17 5.22 -0.82 4.42 1.43 -0.62 0.12 118.68 130.60 1wj6 s LEU 17 Ca 0.12 -1.39 -0.24 0.00 -1.03 0.00 0.00 54.13 51.59 1wj6 s LEU 17 Cb -0.18 -2.32 0.06 0.00 0.03 0.00 0.00 46.19 43.78 1wj6 s LEU 17 CO 0.13 -1.17 1.22 0.20 0.23 0.00 0.00 176.35 176.96 1wj6 s ASN 18 N 3.62 6.32 -0.15 2.29 0.01 0.19 -1.63 114.94 125.59 1wj6 s ASN 18 Ca 0.14 -1.09 -0.17 0.00 -0.71 0.00 0.00 52.86 51.03 1wj6 s ASN 18 Cb -0.22 -2.50 -0.04 0.00 0.41 0.00 0.00 41.25 38.90 1wj6 s ASN 18 CO 0.06 -1.54 0.43 -0.69 -1.51 0.00 0.00 177.10 173.86 1wj6 s VAL 19 N 4.66 5.20 -0.37 1.60 1.01 0.52 0.11 120.40 133.14 1wj6 s VAL 19 Ca 0.34 0.84 0.04 0.00 0.00 0.00 0.00 61.98 63.20 1wj6 s VAL 19 Cb -0.08 -3.77 0.10 0.00 0.00 0.00 0.00 36.38 32.64 1wj6 s VAL 19 CO 0.04 0.31 0.08 -0.89 0.00 0.00 0.00 175.10 174.64 1wj6 s THR 20 N 0.82 2.30 -0.67 3.92 2.01 0.40 0.11 115.64 124.53 1wj6 s THR 20 Ca 0.23 -2.48 -0.20 0.00 0.31 0.00 0.00 61.69 59.55 1wj6 s THR 20 Cb -0.15 -2.69 0.09 0.00 0.01 0.00 0.00 72.50 69.77 1wj6 s THR 20 CO 0.09 -0.63 0.88 0.12 -0.69 0.00 0.00 174.62 174.38 1wj6 s PHE 21 N 0.73 2.88 0.00 4.92 5.36 0.50 -2.61 117.98 129.77 1wj6 s PHE 21 Ca 0.12 -0.86 0.00 0.00 -0.96 0.00 0.00 56.93 55.23 1wj6 s PHE 21 Cb -0.20 -4.17 0.00 0.00 -0.34 0.00 0.00 43.02 38.31 1wj6 s PHE 21 CO -0.07 -1.47 0.00 1.63 -1.46 0.00 0.00 175.22 173.84 1wj6 n LYS 22 N 6.93 0.00 0.00 10.12 5.02 -1.26 0.42 118.16 139.38 1wj6 n LYS 22 Ca -0.02 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.27 1wj6 n LYS 22 Cb 0.45 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.46 1wj6 n LYS 22 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1wj6 n ASN 23 N 4.00 0.82 -4.75 4.39 5.15 -1.26 -5.01 115.26 118.60 1wj6 n ASN 23 Ca 0.00 -0.94 -0.37 0.00 -0.60 0.00 0.00 54.58 52.67 1wj6 n ASN 23 Cb 0.00 0.11 -0.07 0.00 -0.53 0.00 0.00 39.78 39.29 1wj6 n ASN 23 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 1wj6 s GLU 24 N -0.11 4.18 -0.09 1.20 2.02 0.17 -5.08 118.70 120.99 1wj6 s GLU 24 Ca 0.00 0.23 0.03 0.00 0.02 0.00 0.00 54.97 55.24 1wj6 s GLU 24 Cb 0.00 -3.38 -0.02 0.00 0.10 0.00 0.00 34.13 30.83 1wj6 s GLU 24 CO 0.00 0.32 -0.17 0.42 0.02 0.00 0.00 175.26 175.85 1wj6 s ILE 25 N 0.17 2.74 0.18 -1.63 1.01 -1.26 0.19 121.20 122.59 1wj6 s ILE 25 Ca 0.20 -0.80 -0.00 0.00 0.00 0.00 0.00 60.65 60.04 1wj6 s ILE 25 Cb -0.14 -2.09 -0.04 0.00 0.01 0.00 0.00 42.46 40.20 1wj6 s ILE 25 CO 0.07 0.56 0.08 -1.10 0.00 0.00 0.00 174.94 174.55 1wj6 s GLN 26 N -0.04 1.12 -0.01 2.79 -0.21 0.31 -4.99 119.66 118.63 1wj6 s GLN 26 Ca -0.05 -1.57 -0.01 0.00 0.02 0.00 0.00 55.36 53.76 1wj6 s GLN 26 Cb -0.14 0.12 0.00 0.00 1.00 0.00 0.00 33.01 33.99 1wj6 s GLN 26 CO 0.04 -0.30 0.02 0.45 -2.12 0.00 0.00 175.29 173.39 1wj6 s SER 27 N -3.14 -0.01 -0.16 5.90 0.15 -1.25 -0.35 113.70 114.83 1wj6 s SER 27 Ca 0.32 0.04 -0.02 0.00 0.70 0.00 0.00 55.95 56.99 1wj6 s SER 27 Cb 0.07 0.03 0.05 0.00 -1.71 0.00 0.00 66.02 64.46 1wj6 s SER 27 CO 0.08 -0.02 0.01 -0.36 1.20 0.00 0.00 173.24 174.14 1wj6 s PHE 28 N 0.12 1.11 0.08 3.44 0.40 -0.65 -4.92 117.98 117.56 1wj6 s PHE 28 Ca -0.01 -0.76 -0.29 0.00 -0.60 0.00 0.00 56.93 55.27 1wj6 s PHE 28 Cb -0.01 -1.04 -0.05 0.00 0.51 0.00 0.00 43.02 42.42 1wj6 s PHE 28 CO -0.00 -0.55 0.91 -1.17 0.70 0.00 0.00 175.22 175.11 1wj6 s LEU 29 N 1.83 4.47 -0.34 -0.37 2.96 -1.25 -1.60 118.68 124.38 1wj6 s LEU 29 Ca 0.01 1.69 0.02 0.00 -0.22 0.00 0.00 54.13 55.62 1wj6 s LEU 29 Cb -0.16 -3.50 0.10 0.00 0.50 0.00 0.00 46.19 43.14 1wj6 s LEU 29 CO -0.07 -0.07 0.09 -0.69 -1.32 0.00 0.00 176.35 174.29 1wj6 s VAL 30 N 0.11 1.55 -1.22 1.68 1.01 -0.34 -4.88 120.40 118.32 1wj6 s VAL 30 Ca 0.45 -1.94 0.20 0.00 0.00 0.00 0.00 61.98 60.69 1wj6 s VAL 30 Cb -0.22 -2.15 0.26 0.00 0.00 0.00 0.00 36.38 34.26 1wj6 s VAL 30 CO 0.28 -0.67 1.62 -0.24 0.00 0.00 0.00 175.10 176.09 1wj6 n SER 31 N 4.44 0.00 -3.13 3.32 2.88 -1.26 -1.28 113.62 118.60 1wj6 n SER 31 Ca 0.01 0.24 -0.21 0.00 -1.33 0.00 0.00 58.87 57.59 1wj6 n SER 31 Cb 0.41 -0.39 -0.04 0.00 -0.75 0.00 0.00 64.21 63.44 1wj6 n SER 31 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 1wj6 n ASP 32 N -1.39 -0.12 0.03 -3.46 5.75 -1.26 -4.22 116.55 111.88 1wj6 n ASP 32 Ca 0.07 -2.86 0.11 0.00 -0.01 0.00 0.00 54.79 52.11 1wj6 n ASP 32 Cb 0.19 -0.28 0.46 0.00 -1.03 0.00 0.00 41.12 40.46 1wj6 n ASP 32 CO 0.00 0.00 0.00 -0.81 -0.11 0.00 0.00 177.20 176.28 1wj6 n PRO 33 N 1.18 0.06 -0.09 0.11 -0.04 -1.24 -0.43 135.00 134.55 1wj6 n PRO 33 Ca 0.20 0.18 -0.08 0.00 -0.04 0.00 0.00 63.50 63.76 1wj6 n PRO 33 Cb 0.57 -1.59 -0.16 0.00 -0.04 0.00 0.00 33.50 32.28 1wj6 n PRO 33 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1wj6 n GLU 34 N -1.69 0.69 -0.08 0.54 -0.58 -1.26 -4.52 120.64 113.72 1wj6 n GLU 34 Ca 0.05 -0.03 -0.17 0.00 -0.42 0.00 0.00 57.16 56.59 1wj6 n GLU 34 Cb 0.27 -1.52 -0.12 0.00 -0.57 0.00 0.00 31.44 29.50 1wj6 n GLU 34 CO 0.00 0.00 0.00 -0.97 -0.48 0.00 0.00 177.13 175.68 1wj6 h ASN 35 N 0.00 0.00 -3.69 1.62 -0.73 -1.91 -3.47 115.58 107.40 1wj6 h ASN 35 Ca -0.49 -0.78 -0.47 0.00 1.87 0.00 0.00 56.30 56.42 1wj6 h ASN 35 Cb 2.12 0.00 0.21 0.00 0.27 0.00 0.00 38.32 40.91 1wj6 h ASN 35 CO 0.03 1.20 0.10 0.28 -0.37 0.00 0.00 177.43 178.67 1wj6 s THR 36 N -2.27 2.04 0.16 -3.57 -1.32 0.42 -5.03 115.64 106.07 1wj6 s THR 36 Ca -0.23 0.01 0.07 0.00 -1.21 0.00 0.00 61.69 60.34 1wj6 s THR 36 Cb 0.01 -2.05 -0.04 0.00 -1.51 0.00 0.00 72.50 68.91 1wj6 s THR 36 CO 0.64 -0.02 -0.02 0.42 -2.21 0.00 0.00 174.62 173.43 1wj6 s THR 37 N -2.53 3.65 0.27 5.08 -4.23 -1.26 -4.89 115.64 111.73 1wj6 s THR 37 Ca 0.68 -1.40 -0.03 0.00 -1.18 0.00 0.00 61.69 59.75 1wj6 s THR 37 Cb -0.24 -2.81 0.27 0.00 1.34 0.00 0.00 72.50 71.05 1wj6 s THR 37 CO 0.62 -0.07 1.92 -0.25 -0.54 0.00 0.00 174.62 176.30 1wj6 h TRP 38 N 2.86 1.17 -0.96 3.99 2.91 -1.91 0.20 115.95 124.22 1wj6 h TRP 38 Ca -0.47 0.03 0.15 0.00 1.13 0.00 0.00 58.89 59.72 1wj6 h TRP 38 Cb 1.20 -0.39 -0.08 0.00 -0.51 0.00 0.00 29.16 29.37 1wj6 h TRP 38 CO 0.62 0.69 0.61 0.00 -1.03 0.00 0.00 178.44 179.33 1wj6 h ALA 39 N 1.44 1.70 -0.47 2.65 0.00 -1.92 0.51 119.26 123.17 1wj6 h ALA 39 Ca 0.37 0.03 -0.10 0.00 0.00 0.00 0.00 54.91 55.21 1wj6 h ALA 39 Cb -0.02 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 1wj6 h ALA 39 CO -0.11 0.02 -0.11 -0.44 0.00 0.00 0.00 179.25 178.61 1wj6 h ASP 40 N 0.81 0.85 -0.06 0.00 3.32 -1.38 0.11 116.42 120.07 1wj6 h ASP 40 Ca 0.49 -0.26 -0.01 0.00 0.02 0.00 0.00 57.03 57.27 1wj6 h ASP 40 Cb 0.69 -0.23 -0.00 0.00 0.22 0.00 0.00 39.33 40.01 1wj6 h ASP 40 CO -0.26 0.98 -0.01 0.40 -1.72 0.00 0.00 179.24 178.63 1wj6 h ILE 41 N 0.77 1.27 0.32 0.35 1.08 0.11 0.49 117.51 121.91 1wj6 h ILE 41 Ca 0.13 -0.85 -0.01 0.00 -0.39 0.00 0.00 64.86 63.74 1wj6 h ILE 41 Cb 0.62 1.73 -0.01 0.00 -3.07 0.00 0.00 36.82 36.10 1wj6 h ILE 41 CO 0.04 0.23 -0.21 -0.08 -0.69 0.00 0.00 178.15 177.44 1wj6 h GLU 42 N -0.22 -0.50 0.00 2.37 4.81 -0.05 0.73 114.58 121.72 1wj6 h GLU 42 Ca 0.01 0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.27 1wj6 h GLU 42 Cb 0.37 0.11 -0.00 0.00 0.63 0.00 0.00 28.75 29.86 1wj6 h GLU 42 CO 0.00 -0.34 -0.06 0.00 -0.73 0.00 0.00 179.01 177.89 1wj6 h ALA 43 N 0.12 1.12 0.14 2.92 0.00 -0.80 0.21 119.26 122.98 1wj6 h ALA 43 Ca -0.03 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 1wj6 h ALA 43 Cb 0.44 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1wj6 h ALA 43 CO 0.02 0.07 -0.07 1.98 0.00 0.00 0.00 179.25 181.25 1wj6 h MET 44 N 0.00 -0.18 -0.77 0.00 1.85 0.13 -2.75 114.93 113.21 1wj6 h MET 44 Ca -0.00 0.01 -0.02 0.00 -0.61 0.00 0.00 59.70 59.08 1wj6 h MET 44 Cb 0.32 0.04 -0.04 0.00 0.43 0.00 0.00 31.60 32.35 1wj6 h MET 44 CO 0.01 0.04 0.39 0.28 -0.40 0.00 0.00 176.91 177.22 1wj6 h VAL 45 N -1.02 1.24 0.00 -5.77 2.07 0.55 0.29 116.25 113.61 1wj6 h VAL 45 Ca -0.02 -0.65 0.00 0.00 0.82 0.00 0.00 66.70 66.85 1wj6 h VAL 45 Cb 0.31 0.26 0.00 0.00 -1.52 0.00 0.00 31.29 30.33 1wj6 h VAL 45 CO 0.03 0.28 0.00 0.29 0.02 0.00 0.00 177.57 178.19 1wj6 n LYS 46 N -4.40 0.00 -0.14 1.57 5.02 0.74 -0.46 118.16 120.49 1wj6 n LYS 46 Ca 0.07 0.67 -0.03 0.00 -2.02 0.00 0.00 58.31 57.00 1wj6 n LYS 46 Cb 0.12 -1.48 0.04 0.00 -0.02 0.00 0.00 35.03 33.69 1wj6 n LYS 46 CO 0.00 0.00 0.00 -0.39 -0.52 0.00 0.00 177.40 176.49 1wj6 h VAL 47 N 0.00 0.63 -0.99 -0.18 -1.51 -1.46 2.31 116.25 115.05 1wj6 h VAL 47 Ca 0.00 -0.03 0.33 0.00 -1.23 0.00 0.00 66.70 65.77 1wj6 h VAL 47 Cb 0.00 0.53 -0.15 0.00 -2.13 0.00 0.00 31.29 29.53 1wj6 h VAL 47 CO 0.00 0.02 0.54 0.28 -1.23 0.00 0.00 177.57 177.17 1wj6 h SER 48 N 0.10 0.44 0.20 4.19 0.02 -0.12 0.80 113.55 119.18 1wj6 h SER 48 Ca 0.23 0.20 0.00 0.00 -0.84 0.00 0.00 61.79 61.38 1wj6 h SER 48 Cb 0.34 0.17 0.00 0.00 0.14 0.00 0.00 62.40 63.05 1wj6 h SER 48 CO -0.39 -0.19 -1.46 0.49 -1.14 0.00 0.00 176.83 174.15 1wj6 n PHE 49 N -5.10 0.16 -1.57 3.45 3.72 0.39 -5.00 117.46 113.51 1wj6 n PHE 49 Ca 0.32 0.05 0.00 0.00 -0.05 0.00 0.00 57.45 57.76 1wj6 n PHE 49 Cb 1.01 -0.42 0.00 0.00 -0.94 0.00 0.00 39.48 39.12 1wj6 n PHE 49 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 1wj6 n ASP 50 N -2.07 -1.94 -4.35 4.37 2.03 0.75 -5.07 116.55 110.28 1wj6 n ASP 50 Ca -0.00 0.00 -0.21 0.00 0.52 0.00 0.00 54.79 55.10 1wj6 n ASP 50 Cb 0.48 -0.48 -0.11 0.00 -0.72 0.00 0.00 41.12 40.29 1wj6 n ASP 50 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1wj6 s LEU 51 N -2.69 2.49 -0.22 -2.67 1.43 0.15 -4.95 118.68 112.23 1wj6 s LEU 51 Ca 0.00 -0.92 -0.03 0.00 -1.03 0.00 0.00 54.13 52.15 1wj6 s LEU 51 Cb 0.00 -0.81 -0.12 0.00 0.03 0.00 0.00 46.19 45.29 1wj6 s LEU 51 CO 0.00 -0.07 -0.22 -3.20 0.23 0.00 0.00 176.35 173.09 1wj6 n ASN 52 N 0.01 2.08 -3.88 2.29 2.85 -1.26 -4.20 115.26 113.15 1wj6 n ASN 52 Ca -0.11 0.03 -0.26 0.00 -0.11 0.00 0.00 54.58 54.13 1wj6 n ASN 52 Cb 0.58 -0.45 -0.17 0.00 1.24 0.00 0.00 39.78 40.98 1wj6 n ASN 52 CO 0.00 0.00 0.00 0.42 -2.11 0.00 0.00 177.26 175.57 1wj6 s THR 53 N -2.42 0.90 0.12 -0.44 -4.23 -1.26 -5.04 115.64 103.27 1wj6 s THR 53 Ca -0.30 -0.21 0.01 0.00 -1.18 0.00 0.00 61.69 60.01 1wj6 s THR 53 Cb 0.09 -0.95 -0.04 0.00 1.34 0.00 0.00 72.50 72.94 1wj6 s THR 53 CO 0.45 0.35 -0.02 0.27 -0.54 0.00 0.00 174.62 175.13 1wj6 s ILE 54 N 1.74 0.49 -0.43 2.99 -4.36 -1.26 -0.30 121.20 120.07 1wj6 s ILE 54 Ca 0.05 -1.92 0.10 0.00 -0.26 0.00 0.00 60.65 58.61 1wj6 s ILE 54 Cb -0.13 -1.84 0.32 0.00 1.25 0.00 0.00 42.46 42.07 1wj6 s ILE 54 CO -0.07 -0.71 0.73 1.67 0.24 0.00 0.00 174.94 176.79 1wj6 n GLN 55 N -0.08 1.44 -1.04 0.37 -0.06 0.51 -4.43 117.38 114.10 1wj6 n GLN 55 Ca -0.10 -3.71 -0.34 0.00 -2.00 0.00 0.00 57.00 50.85 1wj6 n GLN 55 Cb 0.62 -1.75 0.02 0.00 -4.06 0.00 0.00 30.24 25.07 1wj6 n GLN 55 CO 0.00 0.00 0.00 -0.89 -0.20 0.00 0.00 177.06 175.97 1wj6 n ILE 56 N 0.44 0.00 -3.66 1.69 5.41 -1.26 -3.75 119.36 118.23 1wj6 n ILE 56 Ca 0.26 -0.45 -0.08 0.00 1.00 0.00 0.00 62.75 63.48 1wj6 n ILE 56 Cb 0.57 0.00 -0.09 0.00 -0.71 0.00 0.00 39.64 39.41 1wj6 n ILE 56 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 176.55 176.01 1wj6 s LYS 57 N -1.31 0.37 -0.04 0.38 1.02 0.11 -3.80 119.74 116.48 1wj6 s LYS 57 Ca 0.45 1.08 0.00 0.00 0.02 0.00 0.00 55.97 57.52 1wj6 s LYS 57 Cb -0.33 0.38 -0.03 0.00 -0.52 0.00 0.00 37.83 37.33 1wj6 s LYS 57 CO 0.67 -0.23 -0.02 1.52 -0.92 0.00 0.00 175.35 176.36 1wj6 s TYR 58 N 2.53 3.05 0.05 3.18 -0.85 0.76 0.17 117.35 126.23 1wj6 s TYR 58 Ca -0.03 0.09 -0.30 0.00 -0.52 0.00 0.00 57.07 56.31 1wj6 s TYR 58 Cb -0.12 -1.71 -0.05 0.00 0.38 0.00 0.00 41.96 40.47 1wj6 s TYR 58 CO -0.14 0.42 1.08 -0.51 -1.52 0.00 0.00 175.55 174.89 1wj6 s LEU 59 N -1.15 4.39 0.00 -3.49 1.43 -0.70 0.14 118.68 119.31 1wj6 s LEU 59 Ca 0.16 1.86 -0.04 0.00 -1.03 0.00 0.00 54.13 55.07 1wj6 s LEU 59 Cb -0.11 -3.58 0.10 0.00 0.03 0.00 0.00 46.19 42.63 1wj6 s LEU 59 CO 0.05 -0.33 0.63 -0.90 0.23 0.00 0.00 176.35 176.03 1wj6 n ASP 60 N 3.66 0.40 0.09 2.29 5.68 -0.39 -4.77 116.55 123.52 1wj6 n ASP 60 Ca 0.07 -1.44 0.06 0.00 -0.50 0.00 0.00 54.79 52.97 1wj6 n ASP 60 Cb 0.48 -0.45 0.32 0.00 -1.14 0.00 0.00 41.12 40.34 1wj6 n ASP 60 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 1wj6 n GLU 61 N -2.25 0.08 0.00 0.11 1.02 -1.26 0.81 120.64 119.14 1wj6 n GLU 61 Ca 0.09 0.57 0.12 0.00 -0.02 0.00 0.00 57.16 57.91 1wj6 n GLU 61 Cb 0.32 -1.75 0.09 0.00 -0.02 0.00 0.00 31.44 30.08 1wj6 n GLU 61 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1wj6 n GLU 62 N -1.91 2.17 -2.10 3.49 1.02 -1.26 -4.94 120.64 117.12 1wj6 n GLU 62 Ca -0.01 -1.85 -0.09 0.00 -0.02 0.00 0.00 57.16 55.20 1wj6 n GLU 62 Cb 0.02 -1.44 -0.01 0.00 -0.02 0.00 0.00 31.44 29.99 1wj6 n GLU 62 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 1wj6 n ASN 63 N 1.25 -3.13 -4.54 1.62 5.15 0.24 -5.01 115.26 110.85 1wj6 n ASN 63 Ca 0.13 0.01 -0.35 0.00 -0.60 0.00 0.00 54.58 53.78 1wj6 n ASN 63 Cb 0.57 -2.35 -0.11 0.00 -0.53 0.00 0.00 39.78 37.36 1wj6 n ASN 63 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 1wj6 s GLU 64 N -4.31 3.78 0.08 1.20 2.02 -1.26 -4.73 118.70 115.48 1wj6 s GLU 64 Ca 0.00 -0.44 -0.32 0.00 0.02 0.00 0.00 54.97 54.23 1wj6 s GLU 64 Cb 0.00 -3.12 -0.11 0.00 0.10 0.00 0.00 34.13 31.00 1wj6 s GLU 64 CO 0.00 0.15 1.85 0.39 0.02 0.00 0.00 175.26 177.67 1wj6 n GLU 65 N 3.85 2.67 -4.47 1.61 1.02 -1.26 -1.26 120.64 122.80 1wj6 n GLU 65 Ca -0.17 0.97 -0.33 0.00 -0.02 0.00 0.00 57.16 57.62 1wj6 n GLU 65 Cb 0.52 -2.86 -0.16 0.00 -0.02 0.00 0.00 31.44 28.92 1wj6 n GLU 65 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1wj6 s VAL 66 N 3.09 2.19 -0.00 2.62 1.01 0.38 -4.84 120.40 124.85 1wj6 s VAL 66 Ca 0.85 -0.92 -0.23 0.00 0.00 0.00 0.00 61.98 61.67 1wj6 s VAL 66 Cb -0.52 -1.90 -0.05 0.00 0.00 0.00 0.00 36.38 33.91 1wj6 s VAL 66 CO 0.40 0.54 0.70 -0.94 0.00 0.00 0.00 175.10 175.80 1wj6 s SER 67 N 0.97 7.07 -0.19 3.32 1.04 -1.26 -0.17 113.70 124.47 1wj6 s SER 67 Ca -0.03 1.28 -0.07 0.00 0.48 0.00 0.00 55.95 57.61 1wj6 s SER 67 Cb -0.15 -2.42 -0.04 0.00 0.10 0.00 0.00 66.02 63.51 1wj6 s SER 67 CO -0.05 -0.00 0.06 -0.63 0.98 0.00 0.00 173.24 173.59 1wj6 s ILE 68 N 0.18 4.61 -0.01 -1.02 1.01 -1.25 -4.94 121.20 119.79 1wj6 s ILE 68 Ca 0.36 -0.09 0.00 0.00 0.00 0.00 0.00 60.65 60.92 1wj6 s ILE 68 Cb -0.19 -3.09 -0.01 0.00 0.01 0.00 0.00 42.46 39.19 1wj6 s ILE 68 CO 0.20 0.44 -0.01 -0.46 0.00 0.00 0.00 174.94 175.10 1wj6 n ASN 69 N 3.83 3.93 -4.14 3.58 0.23 -1.26 -4.81 115.26 116.62 1wj6 n ASN 69 Ca -0.16 -0.01 -0.24 0.00 -0.53 0.00 0.00 54.58 53.64 1wj6 n ASN 69 Cb 0.52 -0.01 -0.03 0.00 -2.08 0.00 0.00 39.78 38.17 1wj6 n ASN 69 CO 0.00 0.00 0.00 -0.24 -0.93 0.00 0.00 177.26 176.09 1wj6 n SER 70 N -2.53 2.86 0.16 0.53 2.88 -1.26 -4.86 113.62 111.41 1wj6 n SER 70 Ca -0.02 -2.66 -0.14 0.00 -1.33 0.00 0.00 58.87 54.73 1wj6 n SER 70 Cb 0.52 0.18 -0.08 0.00 -0.75 0.00 0.00 64.21 64.07 1wj6 n SER 70 CO 0.00 0.00 0.00 -0.61 -1.23 0.00 0.00 175.04 173.20 1wj6 h GLN 71 N 0.00 -0.40 -0.88 -1.46 5.75 -1.98 -2.91 115.11 113.23 1wj6 h GLN 71 Ca -0.31 0.03 0.15 0.00 -0.15 0.00 0.00 58.65 58.36 1wj6 h GLN 71 Cb 1.00 0.09 -0.15 0.00 1.07 0.00 0.00 27.48 29.49 1wj6 h GLN 71 CO 0.51 -0.09 -0.30 0.41 -2.65 0.00 0.00 178.83 176.70 1wj6 n GLY 72 N -0.44 -1.71 0.25 2.39 0.00 -1.26 0.17 105.19 104.59 1wj6 n GLY 72 Ca -0.10 0.98 -0.03 0.00 0.00 0.00 0.00 46.02 46.87 1wj6 n GLY 72 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1wj6 h GLU 73 N 0.00 0.65 0.05 1.61 5.08 -1.94 -2.13 114.58 117.90 1wj6 h GLU 73 Ca 0.35 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.66 1wj6 h GLU 73 Cb 0.57 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.67 1wj6 h GLU 73 CO -0.89 0.43 -0.02 -0.92 -1.00 0.00 0.00 179.01 176.61 1wj6 h TYR 74 N 0.67 -0.06 -0.48 4.33 3.20 0.19 -2.75 116.97 122.08 1wj6 h TYR 74 Ca 0.27 -0.00 0.05 0.00 3.14 0.00 0.00 58.73 62.19 1wj6 h TYR 74 Cb 0.13 0.02 -0.07 0.00 1.54 0.00 0.00 36.73 38.36 1wj6 h TYR 74 CO -0.08 0.32 -0.39 0.93 -1.64 0.00 0.00 178.16 177.30 1wj6 h GLU 75 N -0.44 -0.13 -0.35 1.82 5.08 0.18 0.43 114.58 121.17 1wj6 h GLU 75 Ca -0.01 0.01 0.07 0.00 -1.00 0.00 0.00 59.36 58.43 1wj6 h GLU 75 Cb 0.40 0.03 -0.09 0.00 0.50 0.00 0.00 28.75 29.59 1wj6 h GLU 75 CO 0.01 -0.09 -0.40 0.93 -1.00 0.00 0.00 179.01 178.46 1wj6 h GLU 76 N -0.14 -0.33 -0.92 2.33 5.08 -1.46 0.36 114.58 119.50 1wj6 h GLU 76 Ca 0.08 0.02 0.23 0.00 -1.00 0.00 0.00 59.36 58.69 1wj6 h GLU 76 Cb 0.34 0.07 -0.13 0.00 0.50 0.00 0.00 28.75 29.54 1wj6 h GLU 76 CO -0.52 -0.22 0.44 0.00 -1.00 0.00 0.00 179.01 177.71 1wj6 h ALA 77 N 0.45 1.53 -0.52 3.43 0.00 -0.83 1.02 119.26 124.34 1wj6 h ALA 77 Ca 0.13 0.15 -0.08 0.00 0.00 0.00 0.00 54.91 55.11 1wj6 h ALA 77 Cb 0.58 0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.47 1wj6 h ALA 77 CO -0.53 -0.33 -0.01 -0.07 0.00 0.00 0.00 179.25 178.31 1wj6 h LEU 78 N 0.44 0.87 -0.68 0.00 3.38 0.34 -0.20 115.31 119.46 1wj6 h LEU 78 Ca 0.58 -0.23 -0.03 0.00 0.09 0.00 0.00 57.88 58.30 1wj6 h LEU 78 Cb 1.12 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.61 1wj6 h LEU 78 CO -0.52 0.93 0.31 0.11 0.09 0.00 0.00 178.44 179.36 1wj6 h LYS 79 N 0.83 0.99 -0.43 1.13 1.57 0.45 -2.45 116.57 118.66 1wj6 h LYS 79 Ca 0.15 -0.16 -0.11 0.00 -1.87 0.00 0.00 60.65 58.67 1wj6 h LYS 79 Cb 0.50 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.62 1wj6 h LYS 79 CO 0.02 0.80 -0.18 1.98 -0.57 0.00 0.00 179.45 181.51 1wj6 h MET 80 N 0.95 0.82 -0.84 3.15 4.05 -0.16 -2.83 114.93 120.07 1wj6 h MET 80 Ca 0.23 -0.31 0.13 0.00 -0.28 0.00 0.00 59.70 59.47 1wj6 h MET 80 Cb 0.15 -0.05 -0.09 0.00 -0.80 0.00 0.00 31.60 30.82 1wj6 h MET 80 CO -0.03 0.93 0.45 0.00 0.23 0.00 0.00 176.91 178.50 1wj6 h ALA 81 N 1.07 1.24 -0.86 0.39 0.00 -0.58 0.20 119.26 120.73 1wj6 h ALA 81 Ca 0.11 0.07 0.10 0.00 0.00 0.00 0.00 54.91 55.19 1wj6 h ALA 81 Cb 0.69 -0.05 -0.08 0.00 0.00 0.00 0.00 17.79 18.35 1wj6 h ALA 81 CO 0.05 -0.03 0.50 0.28 0.00 0.00 0.00 179.25 180.05 1wj6 h VAL 82 N 0.68 0.90 -0.29 0.00 2.07 -1.23 0.15 116.25 118.53 1wj6 h VAL 82 Ca 0.44 -0.28 0.00 0.00 0.82 0.00 0.00 66.70 67.68 1wj6 h VAL 82 Cb 0.56 0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 30.33 1wj6 h VAL 82 CO -0.33 0.15 0.19 0.11 0.02 0.00 0.00 177.57 177.71 1wj6 h LYS 83 N 0.82 0.38 0.66 1.57 1.57 -0.65 -3.14 116.57 117.77 1wj6 h LYS 83 Ca 0.42 -0.03 -0.03 0.00 -1.87 0.00 0.00 60.65 59.15 1wj6 h LYS 83 Cb 0.41 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.64 1wj6 h LYS 83 CO -0.26 0.26 -0.37 1.96 -0.57 0.00 0.00 179.45 180.48 1wj6 h GLN 84 N 0.38 -0.91 0.00 3.15 4.20 -0.25 -3.46 115.11 118.22 1wj6 h GLN 84 Ca 0.10 0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.88 1wj6 h GLN 84 Cb -0.03 0.21 0.00 0.00 0.30 0.00 0.00 27.48 27.95 1wj6 h GLN 84 CO -0.02 -0.61 0.00 0.41 -0.67 0.00 0.00 178.83 177.94 1wj6 n GLY 85 N -1.48 0.00 2.37 3.46 0.00 0.38 -4.92 105.19 105.00 1wj6 n GLY 85 Ca -0.12 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.78 1wj6 n GLY 85 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1wj6 n ASN 86 N 0.00 -3.97 -3.82 1.61 4.13 -0.33 -4.90 115.26 107.98 1wj6 n ASN 86 Ca 0.00 -0.11 -0.10 0.00 1.68 0.00 0.00 54.58 56.05 1wj6 n ASN 86 Cb 0.00 -2.96 -0.08 0.00 -1.54 0.00 0.00 39.78 35.21 1wj6 n ASN 86 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1wj6 s GLN 87 N -4.99 0.78 -0.04 3.52 1.03 -1.16 0.17 119.66 118.98 1wj6 s GLN 87 Ca 0.12 -0.70 -0.03 0.00 0.04 0.00 0.00 55.36 54.78 1wj6 s GLN 87 Cb -0.05 0.32 0.01 0.00 0.03 0.00 0.00 33.01 33.33 1wj6 s GLN 87 CO 0.14 -0.24 0.10 -1.17 -2.54 0.00 0.00 175.29 171.58 1wj6 s LEU 88 N -2.34 1.49 -0.57 2.60 2.96 0.33 -4.20 118.68 118.95 1wj6 s LEU 88 Ca -0.02 0.20 -0.20 0.00 -0.22 0.00 0.00 54.13 53.90 1wj6 s LEU 88 Cb 0.01 0.31 0.08 0.00 0.50 0.00 0.00 46.19 47.09 1wj6 s LEU 88 CO -0.06 -0.05 0.71 -1.10 -1.32 0.00 0.00 176.35 174.53 1wj6 s GLN 89 N 0.25 3.09 0.14 1.98 -0.21 -1.26 0.53 119.66 124.18 1wj6 s GLN 89 Ca -0.02 -1.08 0.06 0.00 0.02 0.00 0.00 55.36 54.34 1wj6 s GLN 89 Cb -0.03 -4.20 -0.04 0.00 1.00 0.00 0.00 33.01 29.75 1wj6 s GLN 89 CO -0.01 -1.46 0.03 -1.64 -2.12 0.00 0.00 175.29 170.09 1wj6 s MET 90 N 2.85 2.56 -0.09 2.91 -1.94 0.30 -1.71 119.30 124.17 1wj6 s MET 90 Ca 0.14 -0.96 -0.01 0.00 -1.71 0.00 0.00 55.69 53.15 1wj6 s MET 90 Cb -0.21 -2.48 0.03 0.00 2.01 0.00 0.00 34.83 34.17 1wj6 s MET 90 CO 0.09 0.49 -0.04 -0.65 -0.01 0.00 0.00 175.02 174.90 1wj6 s GLN 91 N -2.76 1.13 0.27 2.03 -0.21 0.44 -0.45 119.66 120.11 1wj6 s GLN 91 Ca 0.28 -0.10 -0.29 0.00 0.02 0.00 0.00 55.36 55.26 1wj6 s GLN 91 Cb -0.10 -1.30 -0.09 0.00 1.00 0.00 0.00 33.01 32.51 1wj6 s GLN 91 CO 0.20 -0.27 1.19 0.08 -2.12 0.00 0.00 175.29 174.37 1wj6 s VAL 92 N 1.76 3.26 -0.33 1.09 1.01 -1.07 0.08 120.40 126.19 1wj6 s VAL 92 Ca 0.04 1.21 -0.01 0.00 0.00 0.00 0.00 61.98 63.21 1wj6 s VAL 92 Cb -0.13 -3.77 0.12 0.00 0.00 0.00 0.00 36.38 32.61 1wj6 s VAL 92 CO -0.06 0.26 0.18 -1.00 0.00 0.00 0.00 175.10 174.48 1wj6 s HIS 93 N -0.86 0.76 0.48 5.22 3.76 -1.25 -4.38 115.29 119.03 1wj6 s HIS 93 Ca 0.48 -1.44 -0.20 0.00 -0.15 0.00 0.00 55.06 53.75 1wj6 s HIS 93 Cb -0.35 -1.05 -0.12 0.00 1.11 0.00 0.00 32.58 32.18 1wj6 s HIS 93 CO 0.43 -0.83 0.40 0.39 -0.85 0.00 0.00 174.74 174.28 1wj6 n GLU 94 N 4.48 0.42 -0.23 1.40 -0.58 -1.26 0.19 120.64 125.06 1wj6 n GLU 94 Ca 0.05 0.16 0.00 0.00 -0.42 0.00 0.00 57.16 56.94 1wj6 n GLU 94 Cb 0.39 -1.46 0.00 0.00 -0.57 0.00 0.00 31.44 29.80 1wj6 n GLU 94 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1wj6 n GLY 95 N 1.94 -0.62 3.37 0.62 0.00 0.59 -4.63 105.19 106.46 1wj6 n GLY 95 Ca 0.11 -1.00 -0.43 0.00 0.00 0.00 0.00 46.02 44.70 1wj6 n GLY 95 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1wj6 n SER 96 N 0.00 4.91 0.00 1.61 2.88 -1.26 -3.87 113.62 117.89 1wj6 n SER 96 Ca 0.00 -2.95 0.00 0.00 -1.33 0.00 0.00 58.87 54.59 1wj6 n SER 96 Cb 0.00 -1.65 0.00 0.00 -0.75 0.00 0.00 64.21 61.81 1wj6 n SER 96 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wj6 n GLY 97 N 4.56 -1.35 3.58 0.46 0.00 -1.26 -4.59 105.19 106.59 1wj6 n GLY 97 Ca 0.45 -1.58 -0.35 0.00 0.00 0.00 0.00 46.02 44.54 1wj6 n GLY 97 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wj6 s PRO 98 N -1.48 3.23 -0.02 1.61 0.04 -1.26 -4.93 135.00 132.19 1wj6 s PRO 98 Ca 0.00 -1.43 0.02 0.00 0.04 0.00 0.00 61.00 59.63 1wj6 s PRO 98 Cb 0.00 -5.36 -0.03 0.00 0.04 0.00 0.00 34.50 29.14 1wj6 s PRO 98 CO 0.00 -3.04 -0.06 0.45 0.04 0.00 0.00 177.00 174.39 1wj6 s SER 99 N 5.53 4.68 0.03 6.66 0.15 -1.26 -5.12 113.70 124.37 1wj6 s SER 99 Ca 0.60 -0.10 0.04 0.00 0.70 0.00 0.00 55.95 57.20 1wj6 s SER 99 Cb 0.01 -1.13 -0.02 0.00 -1.71 0.00 0.00 66.02 63.17 1wj6 s SER 99 CO 0.08 0.31 -0.11 -0.94 1.20 0.00 0.00 173.24 173.77 1wj6 s SER 100 N -1.26 1.34 0.00 5.45 1.04 -1.26 -5.08 113.70 113.94 1wj6 s SER 100 Ca 0.16 -0.42 0.00 0.00 0.48 0.00 0.00 55.95 56.17 1wj6 s SER 100 Cb -0.11 -0.07 0.00 0.00 0.10 0.00 0.00 66.02 65.94 1wj6 s SER 100 CO 0.06 -0.01 0.00 0.61 0.98 0.00 0.00 173.24 174.88