#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wj6 n SER 2 N 0.00 -1.63 -3.67 1.61 7.64 -1.26 -5.17 113.62 111.14 1wj6 n SER 2 Ca 0.00 0.59 -0.01 0.00 1.01 0.00 0.00 58.87 60.46 1wj6 n SER 2 Cb 0.00 1.78 -0.01 0.00 -1.01 0.00 0.00 64.21 64.97 1wj6 n SER 2 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1wj6 s SER 3 N -2.00 -0.10 0.00 6.43 0.01 -1.26 -5.07 113.70 111.70 1wj6 s SER 3 Ca 0.00 -0.27 0.00 0.00 1.31 0.00 0.00 55.95 56.99 1wj6 s SER 3 Cb 0.00 0.31 0.00 0.00 0.21 0.00 0.00 66.02 66.54 1wj6 s SER 3 CO 0.00 -0.58 0.00 0.61 0.41 0.00 0.00 173.24 173.68 1wj6 n GLY 4 N -0.50 1.79 3.28 3.44 0.00 -1.26 -5.13 105.19 106.82 1wj6 n GLY 4 Ca -0.07 -0.23 -0.34 0.00 0.00 0.00 0.00 46.02 45.37 1wj6 n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1wj6 n SER 5 N 0.00 -3.32 -1.24 1.61 2.88 -1.26 -4.67 113.62 107.62 1wj6 n SER 5 Ca 0.00 0.31 0.00 0.00 -1.33 0.00 0.00 58.87 57.85 1wj6 n SER 5 Cb 0.00 -1.06 0.00 0.00 -0.75 0.00 0.00 64.21 62.40 1wj6 n SER 5 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1wj6 n SER 6 N 0.39 -6.93 -0.11 -3.46 2.88 -1.26 -5.05 113.62 100.08 1wj6 n SER 6 Ca 0.04 0.92 0.00 0.00 -1.33 0.00 0.00 58.87 58.50 1wj6 n SER 6 Cb 0.54 -3.17 0.00 0.00 -0.75 0.00 0.00 64.21 60.83 1wj6 n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wj6 n GLY 7 N -0.16 -0.24 0.12 0.46 0.00 -1.26 -4.91 105.19 99.19 1wj6 n GLY 7 Ca 0.00 -0.69 -0.16 0.00 0.00 0.00 0.00 46.02 45.17 1wj6 n GLY 7 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wj6 h PRO 8 N 0.00 0.28 -2.78 1.61 0.13 -1.96 -3.39 132.00 125.89 1wj6 h PRO 8 Ca 0.00 -0.27 -0.61 0.00 -0.87 0.00 0.00 66.00 64.25 1wj6 h PRO 8 Cb 0.00 0.07 -0.42 0.00 0.13 0.00 0.00 31.00 30.78 1wj6 h PRO 8 CO 0.00 0.96 -0.62 1.58 -0.23 0.00 0.00 178.00 179.69 1wj6 n HIS 9 N -4.42 2.95 0.18 1.56 -0.00 -1.26 -4.75 115.22 109.49 1wj6 n HIS 9 Ca -0.09 -4.18 0.00 0.00 0.46 0.00 0.00 57.72 53.90 1wj6 n HIS 9 Cb 0.54 -0.54 0.00 0.00 -0.12 0.00 0.00 29.99 29.87 1wj6 n HIS 9 CO 0.00 0.00 0.00 0.45 0.46 0.00 0.00 176.34 177.25 1wj6 n SER 10 N 1.73 -3.26 -3.80 0.26 2.88 -1.26 -5.14 113.62 105.03 1wj6 n SER 10 Ca 0.23 0.74 -0.35 0.00 -1.33 0.00 0.00 58.87 58.16 1wj6 n SER 10 Cb 0.38 3.14 0.02 0.00 -0.75 0.00 0.00 64.21 67.00 1wj6 n SER 10 CO 0.00 0.00 0.00 0.80 -1.23 0.00 0.00 175.04 174.61 1wj6 n MET 11 N -3.26 0.00 -3.94 -1.46 1.56 -1.26 -4.93 117.12 103.83 1wj6 n MET 11 Ca 0.00 0.00 -0.33 0.00 -0.27 0.00 0.00 57.70 57.10 1wj6 n MET 11 Cb 0.00 -0.92 -0.14 0.00 2.15 0.00 0.00 33.22 34.31 1wj6 n MET 11 CO 0.00 0.00 0.00 -1.83 -0.73 0.00 0.00 175.97 173.41 1wj6 s GLU 12 N -1.35 2.03 -0.06 2.12 -1.05 -1.26 -4.99 118.70 114.14 1wj6 s GLU 12 Ca 0.45 -1.58 -0.12 0.00 -0.15 0.00 0.00 54.97 53.58 1wj6 s GLU 12 Cb -0.32 -3.22 -0.07 0.00 -0.44 0.00 0.00 34.13 30.08 1wj6 s GLU 12 CO 0.68 -0.80 0.46 -1.00 0.95 0.00 0.00 175.26 175.55 1wj6 h PRO 13 N 7.85 -0.29 -5.44 -4.83 0.13 -1.90 -3.50 132.00 124.01 1wj6 h PRO 13 Ca -0.14 0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.01 1wj6 h PRO 13 Cb 1.04 0.07 -0.06 0.00 0.13 0.00 0.00 31.00 32.17 1wj6 h PRO 13 CO 0.55 -0.11 -0.80 1.04 -0.23 0.00 0.00 178.00 178.45 1wj6 n GLN 14 N -4.97 -3.00 -3.82 0.86 6.02 -1.20 -4.96 117.38 106.30 1wj6 n GLN 14 Ca -0.05 2.36 -0.33 0.00 -0.01 0.00 0.00 57.00 58.97 1wj6 n GLN 14 Cb 0.16 -2.99 -0.05 0.00 1.02 0.00 0.00 30.24 28.39 1wj6 n GLN 14 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 1wj6 s VAL 15 N -0.34 5.35 -0.51 5.09 1.01 -0.47 -4.79 120.40 125.75 1wj6 s VAL 15 Ca -0.14 -0.03 -0.16 0.00 0.00 0.00 0.00 61.98 61.65 1wj6 s VAL 15 Cb 0.01 -3.57 0.09 0.00 0.00 0.00 0.00 36.38 32.91 1wj6 s VAL 15 CO 0.37 0.29 0.49 -0.89 0.00 0.00 0.00 175.10 175.36 1wj6 s THR 16 N -1.37 5.14 -0.65 3.92 2.01 0.39 -0.83 115.64 124.24 1wj6 s THR 16 Ca 0.30 -1.10 -0.23 0.00 0.31 0.00 0.00 61.69 60.97 1wj6 s THR 16 Cb -0.13 -4.25 0.07 0.00 0.01 0.00 0.00 72.50 68.21 1wj6 s THR 16 CO 0.19 -0.75 0.96 -0.76 -0.69 0.00 0.00 174.62 173.58 1wj6 s LEU 17 N 1.87 4.39 -0.62 4.42 1.43 -0.53 0.38 118.68 130.03 1wj6 s LEU 17 Ca 0.06 -0.98 -0.23 0.00 -1.03 0.00 0.00 54.13 51.95 1wj6 s LEU 17 Cb -0.25 -2.43 0.06 0.00 0.03 0.00 0.00 46.19 43.60 1wj6 s LEU 17 CO 0.06 -1.43 0.97 0.20 0.23 0.00 0.00 176.35 176.38 1wj6 s ASN 18 N 3.65 6.24 -0.24 2.29 0.01 0.11 -0.95 114.94 126.04 1wj6 s ASN 18 Ca 0.22 -0.71 -0.15 0.00 -0.71 0.00 0.00 52.86 51.51 1wj6 s ASN 18 Cb -0.17 -2.43 -0.04 0.00 0.41 0.00 0.00 41.25 39.02 1wj6 s ASN 18 CO 0.10 -1.37 0.39 -0.69 -1.51 0.00 0.00 177.10 174.02 1wj6 s VAL 19 N 4.10 5.18 -0.44 1.60 1.01 0.10 0.17 120.40 132.12 1wj6 s VAL 19 Ca 0.26 0.64 -0.01 0.00 0.00 0.00 0.00 61.98 62.87 1wj6 s VAL 19 Cb -0.15 -3.72 0.12 0.00 0.00 0.00 0.00 36.38 32.64 1wj6 s VAL 19 CO 0.14 0.19 0.21 -0.89 0.00 0.00 0.00 175.10 174.75 1wj6 s THR 20 N 1.77 3.07 -0.58 3.92 2.01 0.29 0.11 115.64 126.22 1wj6 s THR 20 Ca 0.17 -2.38 -0.19 0.00 0.31 0.00 0.00 61.69 59.61 1wj6 s THR 20 Cb -0.15 -3.12 0.10 0.00 0.01 0.00 0.00 72.50 69.34 1wj6 s THR 20 CO 0.09 -0.71 0.67 0.12 -0.69 0.00 0.00 174.62 174.10 1wj6 s PHE 21 N 0.77 3.03 0.00 4.92 5.36 0.34 -2.17 117.98 130.22 1wj6 s PHE 21 Ca 0.11 -0.98 0.00 0.00 -0.96 0.00 0.00 56.93 55.10 1wj6 s PHE 21 Cb -0.22 -3.96 0.00 0.00 -0.34 0.00 0.00 43.02 38.51 1wj6 s PHE 21 CO -0.05 -1.25 0.00 1.63 -1.46 0.00 0.00 175.22 174.10 1wj6 n LYS 22 N 6.19 0.00 0.00 10.12 5.02 -1.26 -0.15 118.16 138.08 1wj6 n LYS 22 Ca -0.10 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.19 1wj6 n LYS 22 Cb 0.42 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.43 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 5.02 0.86 -4.73 4.39 2.85 -1.26 -5.01 115.26 117.38 1wj6 n ASN 23 Ca 0.00 -0.98 -0.37 0.00 -0.11 0.00 0.00 54.58 53.12 1wj6 n ASN 23 Cb 0.00 0.02 -0.07 0.00 1.24 0.00 0.00 39.78 40.98 1wj6 n ASN 23 CO 0.00 0.00 0.00 -1.61 -2.11 0.00 0.00 177.26 173.54 1wj6 s GLU 24 N -0.02 4.28 -0.10 1.20 2.02 0.79 -5.07 118.70 121.79 1wj6 s GLU 24 Ca 0.00 0.22 0.02 0.00 0.02 0.00 0.00 54.97 55.23 1wj6 s GLU 24 Cb 0.00 -3.43 -0.02 0.00 0.10 0.00 0.00 34.13 30.79 1wj6 s GLU 24 CO 0.00 0.22 -0.16 0.42 0.02 0.00 0.00 175.26 175.76 1wj6 s ILE 25 N 0.49 2.83 0.18 -1.63 1.01 -1.26 0.13 121.20 122.96 1wj6 s ILE 25 Ca 0.20 -0.76 0.01 0.00 0.00 0.00 0.00 60.65 60.09 1wj6 s ILE 25 Cb -0.14 -2.14 -0.05 0.00 0.01 0.00 0.00 42.46 40.14 1wj6 s ILE 25 CO 0.06 0.55 0.04 -1.10 0.00 0.00 0.00 174.94 174.49 1wj6 s GLN 26 N 0.02 1.14 -0.02 2.79 -0.21 0.30 -4.98 119.66 118.70 1wj6 s GLN 26 Ca -0.06 -1.57 -0.01 0.00 0.02 0.00 0.00 55.36 53.75 1wj6 s GLN 26 Cb -0.15 -0.11 0.02 0.00 1.00 0.00 0.00 33.01 33.77 1wj6 s GLN 26 CO 0.05 -0.21 0.05 0.45 -2.12 0.00 0.00 175.29 173.50 1wj6 s SER 27 N -3.17 -0.01 -0.16 5.90 0.15 -1.25 0.02 113.70 115.18 1wj6 s SER 27 Ca 0.28 0.09 -0.01 0.00 0.70 0.00 0.00 55.95 57.00 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 0.06 -0.08 -0.01 -0.36 1.20 0.00 0.00 173.24 174.06 1wj6 s PHE 28 N 0.59 1.28 0.11 3.44 0.08 -0.13 -4.92 117.98 118.42 1wj6 s PHE 28 Ca -0.05 -0.86 -0.30 0.00 0.12 0.00 0.00 56.93 55.84 1wj6 s PHE 28 Cb -0.07 -1.12 -0.06 0.00 -0.57 0.00 0.00 43.02 41.20 1wj6 s PHE 28 CO -0.02 -0.57 1.08 -1.17 -0.10 0.00 0.00 175.22 174.44 1wj6 s LEU 29 N 1.77 4.44 -0.36 -0.37 2.96 -1.25 -1.45 118.68 124.42 1wj6 s LEU 29 Ca 0.01 1.95 0.03 0.00 -0.22 0.00 0.00 54.13 55.89 1wj6 s LEU 29 Cb -0.16 -3.59 0.11 0.00 0.50 0.00 0.00 46.19 43.05 1wj6 s LEU 29 CO -0.07 -0.27 0.10 -0.69 -1.32 0.00 0.00 176.35 174.10 1wj6 s VAL 30 N 0.35 1.89 -0.95 1.68 1.01 -0.01 -4.89 120.40 119.47 1wj6 s VAL 30 Ca 0.52 -2.23 0.18 0.00 0.00 0.00 0.00 61.98 60.45 1wj6 s VAL 30 Cb -0.27 -2.39 0.15 0.00 0.00 0.00 0.00 36.38 33.88 1wj6 s VAL 30 CO 0.31 -0.66 1.57 -0.24 0.00 0.00 0.00 175.10 176.08 1wj6 n SER 31 N 4.22 0.07 -3.11 3.32 2.88 -1.26 -1.36 113.62 118.38 1wj6 n SER 31 Ca 0.03 0.52 -0.21 0.00 -1.33 0.00 0.00 58.87 57.88 1wj6 n SER 31 Cb 0.40 -0.53 -0.05 0.00 -0.75 0.00 0.00 64.21 63.28 1wj6 n SER 31 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 1wj6 n ASP 32 N -1.58 -0.48 0.15 -3.46 9.92 -1.26 -4.32 116.55 115.52 1wj6 n ASP 32 Ca 0.04 -2.79 0.02 0.00 -0.53 0.00 0.00 54.79 51.53 1wj6 n ASP 32 Cb 0.21 -0.14 0.18 0.00 -0.64 0.00 0.00 41.12 40.73 1wj6 n ASP 32 CO 0.00 0.00 0.00 1.55 0.13 0.00 0.00 177.20 178.88 1wj6 h PRO 33 N 4.09 0.00 0.05 -0.24 0.13 -1.91 0.11 132.00 134.23 1wj6 h PRO 33 Ca 0.04 0.00 -0.28 0.00 -0.87 0.00 0.00 66.00 64.88 1wj6 h PRO 33 Cb 0.91 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.01 1wj6 h PRO 33 CO 0.43 0.52 -1.52 0.93 -0.23 0.00 0.00 178.00 178.13 1wj6 h GLU 34 N 0.00 0.11 0.08 0.86 5.08 -1.92 -3.37 114.58 115.41 1wj6 h GLU 34 Ca -0.01 -0.18 -0.00 0.00 -1.00 0.00 0.00 59.36 58.17 1wj6 h GLU 34 Cb 1.15 0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.47 1wj6 h GLU 34 CO 0.07 0.87 -0.04 -0.97 -1.00 0.00 0.00 179.01 177.95 1wj6 h ASN 35 N 0.03 -0.09 -2.63 1.42 -0.73 -1.94 -3.46 115.58 108.18 1wj6 h ASN 35 Ca -0.22 -0.47 -0.42 0.00 1.87 0.00 0.00 56.30 57.05 1wj6 h ASN 35 Cb 1.96 0.02 0.22 0.00 0.27 0.00 0.00 38.32 40.80 1wj6 h ASN 35 CO 0.12 0.59 -0.56 1.07 -0.37 0.00 0.00 177.43 178.28 1wj6 n THR 36 N -4.80 0.00 -4.31 -3.57 5.66 0.39 -5.02 114.28 102.64 1wj6 n THR 36 Ca -0.07 -0.34 -0.29 0.00 -3.05 0.00 0.00 64.05 60.31 1wj6 n THR 36 Cb 0.27 -0.78 -0.11 0.00 -1.55 0.00 0.00 70.33 68.16 1wj6 n THR 36 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 1wj6 s THR 37 N -2.27 2.86 0.31 1.09 -4.23 -1.26 -4.91 115.64 107.24 1wj6 s THR 37 Ca 0.61 -1.55 0.01 0.00 -1.18 0.00 0.00 61.69 59.57 1wj6 s THR 37 Cb -0.17 -2.33 0.28 0.00 1.34 0.00 0.00 72.50 71.62 1wj6 s THR 37 CO 0.63 0.06 1.93 -0.25 -0.54 0.00 0.00 174.62 176.45 1wj6 h TRP 38 N 3.59 0.99 -0.85 3.99 2.91 -1.91 0.13 115.95 124.81 1wj6 h TRP 38 Ca -0.49 0.03 0.09 0.00 1.13 0.00 0.00 58.89 59.65 1wj6 h TRP 38 Cb 1.18 -0.33 -0.06 0.00 -0.51 0.00 0.00 29.16 29.44 1wj6 h TRP 38 CO 0.61 0.54 0.55 0.00 -1.03 0.00 0.00 178.44 179.11 1wj6 h ALA 39 N 1.52 1.68 -0.22 2.65 0.00 -1.95 0.65 119.26 123.60 1wj6 h ALA 39 Ca 0.36 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 55.16 1wj6 h ALA 39 Cb 0.16 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1wj6 h ALA 39 CO -0.13 0.15 -0.32 -0.44 0.00 0.00 0.00 179.25 178.52 1wj6 h ASP 40 N 0.83 0.45 0.35 0.00 5.19 -1.17 -2.74 116.42 119.34 1wj6 h ASP 40 Ca 0.39 -0.17 -0.02 0.00 -0.62 0.00 0.00 57.03 56.61 1wj6 h ASP 40 Cb 0.41 -0.13 0.00 0.00 0.18 0.00 0.00 39.33 39.79 1wj6 h ASP 40 CO -0.16 0.75 -0.17 0.40 -3.12 0.00 0.00 179.24 176.94 1wj6 h ILE 41 N 0.38 0.11 -0.48 0.35 1.08 0.04 -2.53 117.51 116.47 1wj6 h ILE 41 Ca 0.05 -0.69 0.04 0.00 -0.39 0.00 0.00 64.86 63.87 1wj6 h ILE 41 Cb 0.75 0.18 -0.06 0.00 -3.07 0.00 0.00 36.82 34.63 1wj6 h ILE 41 CO 0.06 0.03 -0.28 1.21 -0.69 0.00 0.00 178.15 178.47 1wj6 n GLU 42 N -5.09 -0.21 -0.02 2.37 2.13 0.20 -0.37 120.64 119.64 1wj6 n GLU 42 Ca -0.07 1.13 -0.13 0.00 0.66 0.00 0.00 57.16 58.75 1wj6 n GLU 42 Cb 0.21 -1.67 -0.07 0.00 0.27 0.00 0.00 31.44 30.18 1wj6 n GLU 42 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1wj6 h ALA 43 N -0.16 -0.68 -0.43 4.31 0.00 -1.61 0.14 119.26 120.83 1wj6 h ALA 43 Ca 0.08 -0.02 0.04 0.00 0.00 0.00 0.00 54.91 55.01 1wj6 h ALA 43 Cb 0.20 0.88 -0.05 0.00 0.00 0.00 0.00 17.79 18.82 1wj6 h ALA 43 CO -0.45 -0.98 -0.25 -0.12 0.00 0.00 0.00 179.25 177.44 1wj6 n MET 44 N -5.43 -0.19 -0.08 0.00 0.00 0.50 0.61 117.12 112.53 1wj6 n MET 44 Ca -0.04 1.09 -0.07 0.00 0.00 0.00 0.00 57.70 58.68 1wj6 n MET 44 Cb 0.37 -1.62 -0.00 0.00 0.00 0.00 0.00 33.22 31.97 1wj6 n MET 44 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 175.97 176.25 1wj6 h VAL 45 N 0.00 0.59 0.00 1.12 2.07 -0.52 0.70 116.25 120.21 1wj6 h VAL 45 Ca 0.07 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.59 1wj6 h VAL 45 Cb 0.18 0.59 0.00 0.00 -1.52 0.00 0.00 31.29 30.54 1wj6 h VAL 45 CO -0.41 0.00 0.00 0.29 0.02 0.00 0.00 177.57 177.47 1wj6 n LYS 46 N -5.30 0.00 -0.32 1.57 5.02 0.12 -0.91 118.16 118.34 1wj6 n LYS 46 Ca 0.00 0.80 0.13 0.00 -2.02 0.00 0.00 58.31 57.22 1wj6 n LYS 46 Cb 0.22 -1.48 0.30 0.00 -0.02 0.00 0.00 35.03 34.05 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 0.57 -1.02 -0.18 -1.51 0.41 1.68 116.25 116.19 1wj6 h VAL 47 Ca 0.00 -0.18 0.26 0.00 -1.23 0.00 0.00 66.70 65.55 1wj6 h VAL 47 Cb 0.00 0.00 -0.12 0.00 -2.13 0.00 0.00 31.29 29.04 1wj6 h VAL 47 CO 0.00 0.10 0.61 0.28 -1.23 0.00 0.00 177.57 177.33 1wj6 h SER 48 N 0.52 0.60 -0.04 4.19 0.02 0.21 0.13 113.55 119.19 1wj6 h SER 48 Ca 0.56 0.13 0.00 0.00 -0.84 0.00 0.00 61.79 61.64 1wj6 h SER 48 Cb 0.99 0.04 0.00 0.00 0.14 0.00 0.00 62.40 63.57 1wj6 h SER 48 CO -0.47 0.07 0.00 0.49 -1.14 0.00 0.00 176.83 175.78 1wj6 n PHE 49 N -4.85 0.13 -3.45 3.45 3.72 0.18 -5.03 117.46 111.62 1wj6 n PHE 49 Ca 0.27 -0.95 -0.36 0.00 -0.05 0.00 0.00 57.45 56.36 1wj6 n PHE 49 Cb 0.82 -0.17 0.04 0.00 -0.94 0.00 0.00 39.48 39.23 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 -1.25 -5.72 -3.90 4.37 -0.08 0.52 -4.98 116.55 105.50 1wj6 n ASP 50 Ca 0.16 -0.08 -0.17 0.00 -1.51 0.00 0.00 54.79 53.19 1wj6 n ASP 50 Cb 0.65 -1.93 -0.15 0.00 2.34 0.00 0.00 41.12 42.03 1wj6 n ASP 50 CO 0.00 0.00 0.00 -0.76 0.12 0.00 0.00 177.20 176.56 1wj6 s LEU 51 N -2.41 1.63 -0.05 -2.67 1.43 -0.77 -4.95 118.68 110.88 1wj6 s LEU 51 Ca 0.36 -0.08 -0.13 0.00 -1.03 0.00 0.00 54.13 53.26 1wj6 s LEU 51 Cb -0.04 -0.28 -0.08 0.00 0.03 0.00 0.00 46.19 45.82 1wj6 s LEU 51 CO 0.84 -0.01 0.53 0.78 0.23 0.00 0.00 176.35 178.72 1wj6 h ASN 52 N 6.61 -0.32 -3.18 2.29 2.35 -1.93 -3.41 115.58 118.00 1wj6 h ASN 52 Ca -0.34 -0.06 -0.60 0.00 -0.55 0.00 0.00 56.30 54.75 1wj6 h ASN 52 Cb 1.17 0.08 -0.36 0.00 0.05 0.00 0.00 38.32 39.26 1wj6 h ASN 52 CO 0.49 0.16 -0.83 0.42 -1.65 0.00 0.00 177.43 176.02 1wj6 s THR 53 N -2.94 1.57 0.30 2.81 -4.23 -1.26 -5.07 115.64 106.82 1wj6 s THR 53 Ca -0.07 -0.70 0.07 0.00 -1.18 0.00 0.00 61.69 59.81 1wj6 s THR 53 Cb 0.01 -1.51 -0.06 0.00 1.34 0.00 0.00 72.50 72.27 1wj6 s THR 53 CO 0.23 0.40 -0.06 0.27 -0.54 0.00 0.00 174.62 174.92 1wj6 s ILE 54 N 1.48 1.75 -0.44 2.99 -4.36 -1.26 0.10 121.20 121.46 1wj6 s ILE 54 Ca 0.04 -2.13 0.08 0.00 -0.26 0.00 0.00 60.65 58.38 1wj6 s ILE 54 Cb -0.13 -2.53 0.27 0.00 1.25 0.00 0.00 42.46 41.32 1wj6 s ILE 54 CO -0.10 -0.25 0.62 1.67 0.24 0.00 0.00 174.94 177.12 1wj6 n GLN 55 N -0.64 1.18 -1.33 0.37 -0.06 0.13 -4.61 117.38 112.42 1wj6 n GLN 55 Ca -0.05 -3.57 -0.38 0.00 -2.00 0.00 0.00 57.00 51.00 1wj6 n GLN 55 Cb 0.64 -1.53 0.03 0.00 -4.06 0.00 0.00 30.24 25.32 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 1.02 1.17 -3.66 1.69 5.41 -1.26 -3.40 119.36 120.33 1wj6 n ILE 56 Ca 0.24 -0.49 -0.07 0.00 1.00 0.00 0.00 62.75 63.42 1wj6 n ILE 56 Cb 0.53 -0.38 -0.09 0.00 -0.71 0.00 0.00 39.64 39.00 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 -1.72 0.36 0.00 0.38 1.02 0.50 -3.78 119.74 116.51 1wj6 s LYS 57 Ca 0.62 1.09 0.02 0.00 0.02 0.00 0.00 55.97 57.72 1wj6 s LYS 57 Cb -0.44 0.40 -0.04 0.00 -0.52 0.00 0.00 37.83 37.23 1wj6 s LYS 57 CO 0.61 -0.24 -0.01 1.52 -0.92 0.00 0.00 175.35 176.31 1wj6 s TYR 58 N 2.62 3.04 -0.09 3.18 -0.85 0.35 0.20 117.35 125.79 1wj6 s TYR 58 Ca -0.02 0.06 -0.30 0.00 -0.52 0.00 0.00 57.07 56.28 1wj6 s TYR 58 Cb -0.12 -1.65 -0.02 0.00 0.38 0.00 0.00 41.96 40.55 1wj6 s TYR 58 CO -0.14 0.45 1.09 -0.51 -1.52 0.00 0.00 175.55 174.92 1wj6 s LEU 59 N -1.56 4.26 0.00 -3.49 1.43 -0.59 0.18 118.68 118.91 1wj6 s LEU 59 Ca 0.19 1.65 0.00 0.00 -1.03 0.00 0.00 54.13 54.94 1wj6 s LEU 59 Cb -0.11 -3.56 0.00 0.00 0.03 0.00 0.00 46.19 42.55 1wj6 s LEU 59 CO 0.10 -0.52 0.00 -0.67 0.23 0.00 0.00 176.35 175.49 1wj6 n ASP 60 N 5.14 0.00 -0.41 2.29 -0.08 -0.44 -4.73 116.55 118.33 1wj6 n ASP 60 Ca 0.10 0.00 0.02 0.00 -1.51 0.00 0.00 54.79 53.40 1wj6 n ASP 60 Cb 0.48 0.00 0.08 0.00 2.34 0.00 0.00 41.12 44.01 1wj6 n ASP 60 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 1wj6 n GLU 61 N 0.00 1.49 0.00 -0.67 1.02 -1.26 -2.92 120.64 118.30 1wj6 n GLU 61 Ca 0.00 -0.62 0.00 0.00 -0.02 0.00 0.00 57.16 56.52 1wj6 n GLU 61 Cb 0.00 -1.24 0.00 0.00 -0.02 0.00 0.00 31.44 30.18 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 0.02 0.66 -1.43 3.49 -0.58 -1.26 -4.97 120.64 116.57 1wj6 n GLU 62 Ca 0.06 -0.73 -0.09 0.00 -0.42 0.00 0.00 57.16 55.97 1wj6 n GLU 62 Cb 0.21 -0.82 -0.03 0.00 -0.57 0.00 0.00 31.44 30.23 1wj6 n GLU 62 CO 0.00 0.00 0.00 -1.71 -0.48 0.00 0.00 177.13 174.94 1wj6 n ASN 63 N -0.16 -3.88 -4.70 1.62 2.85 -1.15 -4.99 115.26 104.84 1wj6 n ASN 63 Ca 0.00 0.18 -0.35 0.00 -0.11 0.00 0.00 54.58 54.29 1wj6 n ASN 63 Cb 0.22 -2.35 -0.09 0.00 1.24 0.00 0.00 39.78 38.81 1wj6 n ASN 63 CO 0.00 0.00 0.00 -1.61 -2.11 0.00 0.00 177.26 173.54 1wj6 s GLU 64 N -3.07 4.14 0.14 1.20 2.02 -1.26 -4.79 118.70 117.09 1wj6 s GLU 64 Ca 0.00 -0.24 -0.32 0.00 0.02 0.00 0.00 54.97 54.43 1wj6 s GLU 64 Cb 0.00 -3.44 -0.12 0.00 0.10 0.00 0.00 34.13 30.67 1wj6 s GLU 64 CO 0.00 0.23 1.76 0.39 0.02 0.00 0.00 175.26 177.66 1wj6 n GLU 65 N 3.74 2.64 -4.08 1.61 1.02 -1.26 -1.32 120.64 122.99 1wj6 n GLU 65 Ca -0.16 0.96 -0.32 0.00 -0.02 0.00 0.00 57.16 57.62 1wj6 n GLU 65 Cb 0.52 -2.81 -0.16 0.00 -0.02 0.00 0.00 31.44 28.97 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 2.05 2.02 0.03 2.62 1.01 0.49 -4.85 120.40 123.77 1wj6 s VAL 66 Ca 0.80 -1.21 -0.26 0.00 0.00 0.00 0.00 61.98 61.31 1wj6 s VAL 66 Cb -0.54 -1.99 -0.05 0.00 0.00 0.00 0.00 36.38 33.81 1wj6 s VAL 66 CO 0.37 0.25 0.80 -0.44 0.00 0.00 0.00 175.10 176.09 1wj6 s SER 67 N 1.24 7.24 -0.15 3.32 0.01 -1.26 -0.50 113.70 123.60 1wj6 s SER 67 Ca -0.01 1.48 -0.07 0.00 1.31 0.00 0.00 55.95 58.66 1wj6 s SER 67 Cb -0.16 -2.49 -0.04 0.00 0.21 0.00 0.00 66.02 63.54 1wj6 s SER 67 CO -0.09 -0.04 0.09 -0.63 0.41 0.00 0.00 173.24 172.98 1wj6 s ILE 68 N 0.18 5.11 0.00 1.44 1.01 -1.25 -4.96 121.20 122.72 1wj6 s ILE 68 Ca 0.41 0.07 0.00 0.00 0.00 0.00 0.00 60.65 61.13 1wj6 s ILE 68 Cb -0.21 -3.26 0.00 0.00 0.01 0.00 0.00 42.46 39.01 1wj6 s ILE 68 CO 0.24 0.54 0.00 0.59 0.00 0.00 0.00 174.94 176.31 1wj6 n ASN 69 N 2.72 1.50 -4.66 3.58 3.02 -1.26 -4.83 115.26 115.33 1wj6 n ASN 69 Ca -0.18 0.00 -0.28 0.00 -0.03 0.00 0.00 54.58 54.09 1wj6 n ASN 69 Cb 0.53 0.00 -0.10 0.00 -0.61 0.00 0.00 39.78 39.61 1wj6 n ASN 69 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 1wj6 s SER 70 N -4.60 4.01 0.12 6.41 0.15 -1.26 -4.89 113.70 113.63 1wj6 s SER 70 Ca 0.00 -1.36 -0.26 0.00 0.70 0.00 0.00 55.95 55.03 1wj6 s SER 70 Cb 0.00 -0.28 -0.07 0.00 -1.71 0.00 0.00 66.02 63.96 1wj6 s SER 70 CO 0.00 -0.53 1.65 -0.61 1.20 0.00 0.00 173.24 174.95 1wj6 h GLN 71 N 1.65 -0.37 -0.98 5.44 5.75 -1.97 -2.14 115.11 122.49 1wj6 h GLN 71 Ca -0.44 0.03 0.22 0.00 -0.15 0.00 0.00 58.65 58.30 1wj6 h GLN 71 Cb 1.25 0.08 -0.18 0.00 1.07 0.00 0.00 27.48 29.70 1wj6 h GLN 71 CO 0.78 -0.25 -0.17 0.41 -2.65 0.00 0.00 178.83 176.95 1wj6 n GLY 72 N -1.35 -1.56 0.32 2.39 0.00 -1.26 0.18 105.19 103.92 1wj6 n GLY 72 Ca -0.06 1.02 -0.05 0.00 0.00 0.00 0.00 46.02 46.94 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 1.11 -0.13 1.61 5.08 -1.81 -2.76 114.58 117.68 1wj6 h GLU 73 Ca 0.50 -0.12 -0.05 0.00 -1.00 0.00 0.00 59.36 58.69 1wj6 h GLU 73 Cb 0.85 -0.22 -0.00 0.00 0.50 0.00 0.00 28.75 29.88 1wj6 h GLU 73 CO -0.98 0.81 -0.11 -0.92 -1.00 0.00 0.00 179.01 176.81 1wj6 h TYR 74 N 1.11 0.36 -0.35 4.33 3.20 0.25 -2.91 116.97 122.97 1wj6 h TYR 74 Ca 0.28 -0.10 0.04 0.00 3.14 0.00 0.00 58.73 62.09 1wj6 h TYR 74 Cb 0.01 -0.08 -0.05 0.00 1.54 0.00 0.00 36.73 38.15 1wj6 h TYR 74 CO 0.00 0.69 -0.31 0.93 -1.64 0.00 0.00 178.16 177.83 1wj6 h GLU 75 N -0.07 -0.12 -0.33 1.82 5.08 0.16 0.74 114.58 121.85 1wj6 h GLU 75 Ca 0.02 0.01 0.07 0.00 -1.00 0.00 0.00 59.36 58.46 1wj6 h GLU 75 Cb 0.62 0.03 -0.08 0.00 0.50 0.00 0.00 28.75 29.81 1wj6 h GLU 75 CO 0.03 -0.08 -0.38 0.93 -1.00 0.00 0.00 179.01 178.51 1wj6 h GLU 76 N -0.13 -0.32 -0.96 2.33 5.08 -1.58 0.38 114.58 119.38 1wj6 h GLU 76 Ca 0.06 0.02 0.22 0.00 -1.00 0.00 0.00 59.36 58.66 1wj6 h GLU 76 Cb 0.28 0.07 -0.12 0.00 0.50 0.00 0.00 28.75 29.48 1wj6 h GLU 76 CO -0.39 -0.21 0.54 0.00 -1.00 0.00 0.00 179.01 177.94 1wj6 h ALA 77 N 0.51 1.63 -0.38 3.43 0.00 -1.00 0.92 119.26 124.36 1wj6 h ALA 77 Ca 0.14 0.12 -0.09 0.00 0.00 0.00 0.00 54.91 55.08 1wj6 h ALA 77 Cb 0.57 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 1wj6 h ALA 77 CO -0.51 -0.21 -0.13 -0.07 0.00 0.00 0.00 179.25 178.33 1wj6 h LEU 78 N 0.59 0.67 -0.90 0.00 3.38 0.40 -1.47 115.31 117.98 1wj6 h LEU 78 Ca 0.59 -0.20 -0.07 0.00 0.09 0.00 0.00 57.88 58.30 1wj6 h LEU 78 Cb 1.05 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.60 1wj6 h LEU 78 CO -0.45 0.82 0.04 0.11 0.09 0.00 0.00 178.44 179.06 1wj6 h LYS 79 N 0.62 0.85 -0.52 1.13 1.57 0.44 -2.64 116.57 118.02 1wj6 h LYS 79 Ca 0.11 -0.22 -0.12 0.00 -1.87 0.00 0.00 60.65 58.55 1wj6 h LYS 79 Cb 0.58 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.77 1wj6 h LYS 79 CO 0.04 0.82 -0.14 1.98 -0.57 0.00 0.00 179.45 181.58 1wj6 h MET 80 N 0.80 1.01 -0.88 3.15 4.05 -0.18 -2.86 114.93 120.02 1wj6 h MET 80 Ca 0.16 -0.39 0.17 0.00 -0.28 0.00 0.00 59.70 59.36 1wj6 h MET 80 Cb 0.42 -0.06 -0.10 0.00 -0.80 0.00 0.00 31.60 31.06 1wj6 h MET 80 CO 0.01 1.07 0.45 0.00 0.23 0.00 0.00 176.91 178.68 1wj6 h ALA 81 N 0.93 1.37 -0.68 0.39 0.00 -0.92 0.29 119.26 120.65 1wj6 h ALA 81 Ca 0.13 0.10 0.10 0.00 0.00 0.00 0.00 54.91 55.24 1wj6 h ALA 81 Cb 0.71 0.01 -0.07 0.00 0.00 0.00 0.00 17.79 18.44 1wj6 h ALA 81 CO 0.05 -0.14 0.30 0.28 0.00 0.00 0.00 179.25 179.74 1wj6 h VAL 82 N 0.59 0.80 -0.09 0.00 2.07 -1.38 0.16 116.25 118.39 1wj6 h VAL 82 Ca 0.50 -0.17 0.02 0.00 0.82 0.00 0.00 66.70 67.87 1wj6 h VAL 82 Cb 0.78 0.24 -0.02 0.00 -1.52 0.00 0.00 31.29 30.77 1wj6 h VAL 82 CO -0.40 0.09 -0.04 0.11 0.02 0.00 0.00 177.57 177.35 1wj6 h LYS 83 N 0.51 -0.02 0.48 1.57 1.57 -0.48 -2.96 116.57 117.24 1wj6 h LYS 83 Ca 0.34 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 59.11 1wj6 h LYS 83 Cb 0.40 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.69 1wj6 h LYS 83 CO -0.30 -0.02 -0.49 1.96 -0.57 0.00 0.00 179.45 180.03 1wj6 h GLN 84 N -0.03 -0.94 0.00 3.15 4.20 -0.38 -3.45 115.11 117.66 1wj6 h GLN 84 Ca 0.05 0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.82 1wj6 h GLN 84 Cb 0.10 0.21 0.00 0.00 0.30 0.00 0.00 27.48 28.09 1wj6 h GLN 84 CO -0.11 -0.63 0.00 0.41 -0.67 0.00 0.00 178.83 177.83 1wj6 n GLY 85 N -1.56 0.00 2.30 3.46 0.00 0.37 -4.91 105.19 104.85 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 -3.91 -3.86 1.61 4.13 -0.12 -4.90 115.26 108.21 1wj6 n ASN 86 Ca 0.00 -0.06 -0.09 0.00 1.68 0.00 0.00 54.58 56.11 1wj6 n ASN 86 Cb 0.00 -3.02 -0.08 0.00 -1.54 0.00 0.00 39.78 35.14 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 -4.78 0.76 -0.04 3.52 1.03 -1.09 0.15 119.66 119.22 1wj6 s GLN 87 Ca 0.05 -0.81 -0.03 0.00 0.04 0.00 0.00 55.36 54.62 1wj6 s GLN 87 Cb -0.02 0.31 0.02 0.00 0.03 0.00 0.00 33.01 33.34 1wj6 s GLN 87 CO 0.07 -0.23 0.09 -1.17 -2.54 0.00 0.00 175.29 171.51 1wj6 s LEU 88 N -2.47 1.46 -0.59 2.60 2.96 0.16 -4.16 118.68 118.63 1wj6 s LEU 88 Ca -0.00 0.18 -0.20 0.00 -0.22 0.00 0.00 54.13 53.89 1wj6 s LEU 88 Cb 0.02 0.26 0.09 0.00 0.50 0.00 0.00 46.19 47.07 1wj6 s LEU 88 CO -0.07 -0.06 0.74 -1.10 -1.32 0.00 0.00 176.35 174.54 1wj6 s GLN 89 N 0.34 3.07 -0.06 1.98 -1.52 -1.26 0.04 119.66 122.25 1wj6 s GLN 89 Ca -0.02 -1.18 -0.01 0.00 -1.95 0.00 0.00 55.36 52.20 1wj6 s GLN 89 Cb -0.04 -4.24 -0.03 0.00 -0.22 0.00 0.00 33.01 28.48 1wj6 s GLN 89 CO -0.01 -1.56 0.03 -1.64 -0.25 0.00 0.00 175.29 171.86 1wj6 s MET 90 N 2.94 3.00 -0.17 2.91 -1.94 0.45 -1.55 119.30 124.94 1wj6 s MET 90 Ca 0.14 -0.44 0.01 0.00 -1.71 0.00 0.00 55.69 53.69 1wj6 s MET 90 Cb -0.22 -2.81 0.03 0.00 2.01 0.00 0.00 34.83 33.84 1wj6 s MET 90 CO 0.08 0.69 -0.13 -0.65 -0.01 0.00 0.00 175.02 175.00 1wj6 s GLN 91 N -1.17 2.21 0.30 2.03 -0.21 0.52 0.10 119.66 123.45 1wj6 s GLN 91 Ca 0.16 -0.69 -0.29 0.00 0.02 0.00 0.00 55.36 54.57 1wj6 s GLN 91 Cb -0.12 -2.25 -0.10 0.00 1.00 0.00 0.00 33.01 31.55 1wj6 s GLN 91 CO 0.06 -0.32 1.16 0.08 -2.12 0.00 0.00 175.29 174.16 1wj6 s VAL 92 N 1.44 3.24 -0.35 1.09 1.01 -0.92 -0.37 120.40 125.55 1wj6 s VAL 92 Ca 0.02 1.24 -0.00 0.00 0.00 0.00 0.00 61.98 63.24 1wj6 s VAL 92 Cb -0.14 -3.79 0.14 0.00 0.00 0.00 0.00 36.38 32.59 1wj6 s VAL 92 CO -0.10 0.29 0.22 -1.00 0.00 0.00 0.00 175.10 174.51 1wj6 s HIS 93 N -1.17 0.57 0.24 5.22 3.76 -1.22 -4.34 115.29 118.35 1wj6 s HIS 93 Ca 0.46 -1.46 -0.27 0.00 -0.15 0.00 0.00 55.06 53.65 1wj6 s HIS 93 Cb -0.34 -0.85 -0.17 0.00 1.11 0.00 0.00 32.58 32.33 1wj6 s HIS 93 CO 0.45 -0.84 0.43 0.39 -0.85 0.00 0.00 174.74 174.32 1wj6 n GLU 94 N 4.20 0.00 0.00 1.40 -0.58 -1.26 0.22 120.64 124.62 1wj6 n GLU 94 Ca 0.10 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.84 1wj6 n GLU 94 Cb 0.38 -1.00 0.00 0.00 -0.57 0.00 0.00 31.44 30.25 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 2.06 1.93 3.19 0.62 0.00 0.28 -4.64 105.19 108.64 1wj6 n GLY 95 Ca 0.17 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.14 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 -6.33 -2.65 1.61 2.88 -1.26 -4.96 113.62 102.90 1wj6 n SER 96 Ca 0.00 0.32 0.00 0.00 -1.33 0.00 0.00 58.87 57.86 1wj6 n SER 96 Cb 0.00 -1.55 0.00 0.00 -0.75 0.00 0.00 64.21 61.91 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 1.10 -2.52 3.75 0.46 0.00 -1.26 -4.92 105.19 101.80 1wj6 n GLY 97 Ca -0.01 -1.03 -0.41 0.00 0.00 0.00 0.00 46.02 44.57 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 0.00 4.64 -0.30 1.61 0.04 -1.26 -5.02 135.00 134.71 1wj6 s PRO 98 Ca 0.00 1.76 -0.14 0.00 0.04 0.00 0.00 61.00 62.66 1wj6 s PRO 98 Cb 0.00 -3.22 0.18 0.00 0.04 0.00 0.00 34.50 31.49 1wj6 s PRO 98 CO 0.00 0.18 1.09 -1.12 0.04 0.00 0.00 177.00 177.18 1wj6 s SER 99 N -0.62 -0.39 -0.21 6.66 0.01 -1.26 -5.14 113.70 112.75 1wj6 s SER 99 Ca 0.46 0.29 -0.04 0.00 1.31 0.00 0.00 55.95 57.97 1wj6 s SER 99 Cb -0.31 1.35 0.09 0.00 0.21 0.00 0.00 66.02 67.36 1wj6 s SER 99 CO 0.38 -0.07 0.21 -0.55 0.41 0.00 0.00 173.24 173.62 1wj6 s SER 100 N 2.85 1.54 0.00 2.44 0.15 -1.26 -5.26 113.70 114.16 1wj6 s SER 100 Ca -0.02 -0.31 0.00 0.00 0.70 0.00 0.00 55.95 56.31 1wj6 s SER 100 Cb -0.09 0.31 0.00 0.00 -1.71 0.00 0.00 66.02 64.53 1wj6 s SER 100 CO -0.11 -0.33 0.00 0.61 1.20 0.00 0.00 173.24 174.60