#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 1.04 -1.16 1.61 0.15 -1.26 -5.07 113.70 109.01 1wj6 s SER 2 Ca 0.00 -0.16 -0.09 0.00 0.70 0.00 0.00 55.95 56.40 1wj6 s SER 2 Cb 0.00 -0.13 0.24 0.00 -1.71 0.00 0.00 66.02 64.42 1wj6 s SER 2 CO 0.00 0.10 1.45 -1.20 1.20 0.00 0.00 173.24 174.80 1wj6 n SER 3 N 2.90 5.62 0.00 5.45 7.64 -1.26 -4.90 113.62 129.07 1wj6 n SER 3 Ca -0.14 -3.15 0.00 0.00 1.01 0.00 0.00 58.87 56.60 1wj6 n SER 3 Cb 0.57 -1.41 0.00 0.00 -1.01 0.00 0.00 64.21 62.35 1wj6 n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wj6 n GLY 4 N 2.63 1.12 0.00 0.23 0.00 -1.26 -5.02 105.19 102.89 1wj6 n GLY 4 Ca 0.31 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 46.21 1wj6 n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1wj6 n SER 5 N 0.00 0.00 -0.32 1.61 7.64 -1.26 -5.00 113.62 116.29 1wj6 n SER 5 Ca 0.00 0.54 0.00 0.00 1.01 0.00 0.00 58.87 60.42 1wj6 n SER 5 Cb 0.00 -0.04 0.00 0.00 -1.01 0.00 0.00 64.21 63.16 1wj6 n SER 5 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1wj6 n SER 6 N -0.94 -3.17 -2.95 6.43 2.88 -1.26 -5.03 113.62 109.57 1wj6 n SER 6 Ca 0.00 0.23 -0.14 0.00 -1.33 0.00 0.00 58.87 57.63 1wj6 n SER 6 Cb 0.00 -0.05 -0.01 0.00 -0.75 0.00 0.00 64.21 63.40 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 -0.41 1.03 0.19 0.46 0.00 -1.26 -4.96 105.19 100.23 1wj6 n GLY 7 Ca 0.00 -0.49 0.07 0.00 0.00 0.00 0.00 46.02 45.60 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 4.31 0.00 0.00 1.61 0.13 -1.96 -3.45 132.00 132.64 1wj6 h PRO 8 Ca -0.01 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.12 1wj6 h PRO 8 Cb 0.98 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.11 1wj6 h PRO 8 CO 0.33 0.34 0.00 0.72 -0.23 0.00 0.00 178.00 179.16 1wj6 n HIS 9 N -3.34 0.00 -3.64 1.56 8.25 -1.26 -3.73 115.22 113.05 1wj6 n HIS 9 Ca 0.01 0.00 -0.02 0.00 -0.26 0.00 0.00 57.72 57.45 1wj6 n HIS 9 Cb 0.56 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.63 1wj6 n HIS 9 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 1wj6 s SER 10 N 0.00 -0.05 -1.05 0.41 1.04 -1.26 -4.97 113.70 107.82 1wj6 s SER 10 Ca 0.00 0.06 -0.02 0.00 0.48 0.00 0.00 55.95 56.47 1wj6 s SER 10 Cb 0.00 0.04 0.02 0.00 0.10 0.00 0.00 66.02 66.18 1wj6 s SER 10 CO 0.00 -0.05 0.13 0.23 0.98 0.00 0.00 173.24 174.53 1wj6 n MET 11 N 0.56 -2.61 -0.29 4.02 2.81 -1.26 -4.53 117.12 115.81 1wj6 n MET 11 Ca -0.01 0.54 0.04 0.00 -1.81 0.00 0.00 57.70 56.46 1wj6 n MET 11 Cb 0.59 -5.17 -0.02 0.00 -0.71 0.00 0.00 33.22 27.92 1wj6 n MET 11 CO 0.00 0.00 0.00 -1.91 1.51 0.00 0.00 175.97 175.57 1wj6 n GLU 12 N -3.02 -0.66 0.02 0.03 4.07 -1.26 -4.68 120.64 115.14 1wj6 n GLU 12 Ca -0.11 0.51 -0.19 0.00 -0.06 0.00 0.00 57.16 57.31 1wj6 n GLU 12 Cb 0.59 -0.77 -0.09 0.00 -0.06 0.00 0.00 31.44 31.10 1wj6 n GLU 12 CO 0.00 0.00 0.00 -1.00 -0.06 0.00 0.00 177.13 176.07 1wj6 h PRO 13 N -0.28 0.74 -3.89 5.31 0.13 -1.80 -3.45 132.00 128.76 1wj6 h PRO 13 Ca -0.03 -0.72 -0.41 0.00 -0.87 0.00 0.00 66.00 63.97 1wj6 h PRO 13 Cb 0.28 0.19 -0.06 0.00 0.13 0.00 0.00 31.00 31.53 1wj6 h PRO 13 CO 0.01 1.30 1.28 1.04 -0.23 0.00 0.00 178.00 181.41 1wj6 n GLN 14 N -3.89 0.00 -3.97 0.86 6.02 -1.20 -4.71 117.38 110.49 1wj6 n GLN 14 Ca -0.10 0.00 -0.32 0.00 -0.01 0.00 0.00 57.00 56.57 1wj6 n GLN 14 Cb 0.83 -1.13 -0.05 0.00 1.02 0.00 0.00 30.24 30.91 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 6.47 5.14 -0.50 5.09 1.01 -0.81 -4.80 120.40 132.01 1wj6 s VAL 15 Ca 1.01 -0.39 -0.17 0.00 0.00 0.00 0.00 61.98 62.43 1wj6 s VAL 15 Cb -0.98 -3.45 0.08 0.00 0.00 0.00 0.00 36.38 32.04 1wj6 s VAL 15 CO 0.39 0.23 0.49 -0.89 0.00 0.00 0.00 175.10 175.32 1wj6 s THR 16 N -1.38 5.11 -0.67 3.92 2.01 0.51 -0.78 115.64 124.35 1wj6 s THR 16 Ca 0.30 -0.99 -0.22 0.00 0.31 0.00 0.00 61.69 61.08 1wj6 s THR 16 Cb -0.13 -4.23 0.07 0.00 0.01 0.00 0.00 72.50 68.22 1wj6 s THR 16 CO 0.22 -0.73 0.97 -0.76 -0.69 0.00 0.00 174.62 173.63 1wj6 s LEU 17 N 1.97 4.40 -0.63 4.42 1.43 -0.53 0.56 118.68 130.29 1wj6 s LEU 17 Ca 0.07 -1.03 -0.23 0.00 -1.03 0.00 0.00 54.13 51.91 1wj6 s LEU 17 Cb -0.24 -2.42 0.06 0.00 0.03 0.00 0.00 46.19 43.63 1wj6 s LEU 17 CO 0.07 -1.43 0.94 0.20 0.23 0.00 0.00 176.35 176.36 1wj6 s ASN 18 N 3.69 6.21 -0.16 2.29 0.01 0.12 -0.69 114.94 126.41 1wj6 s ASN 18 Ca 0.23 -0.87 -0.16 0.00 -0.71 0.00 0.00 52.86 51.35 1wj6 s ASN 18 Cb -0.16 -2.41 -0.04 0.00 0.41 0.00 0.00 41.25 39.04 1wj6 s ASN 18 CO 0.09 -1.37 0.38 -0.69 -1.51 0.00 0.00 177.10 174.00 1wj6 s VAL 19 N 3.96 5.24 -0.40 1.60 1.01 0.72 0.18 120.40 132.71 1wj6 s VAL 19 Ca 0.23 0.72 0.03 0.00 0.00 0.00 0.00 61.98 62.96 1wj6 s VAL 19 Cb -0.16 -3.72 0.11 0.00 0.00 0.00 0.00 36.38 32.61 1wj6 s VAL 19 CO 0.12 0.33 0.14 -0.89 0.00 0.00 0.00 175.10 174.79 1wj6 s THR 20 N 0.77 2.58 -0.55 3.92 2.01 0.27 0.91 115.64 125.55 1wj6 s THR 20 Ca 0.20 -2.52 -0.20 0.00 0.31 0.00 0.00 61.69 59.48 1wj6 s THR 20 Cb -0.14 -2.84 0.07 0.00 0.01 0.00 0.00 72.50 69.60 1wj6 s THR 20 CO 0.07 -0.67 0.73 0.12 -0.69 0.00 0.00 174.62 174.18 1wj6 s PHE 21 N 0.66 2.96 0.00 4.92 5.36 0.14 -1.95 117.98 130.06 1wj6 s PHE 21 Ca 0.12 -0.60 0.00 0.00 -0.96 0.00 0.00 56.93 55.49 1wj6 s PHE 21 Cb -0.21 -3.83 0.00 0.00 -0.34 0.00 0.00 43.02 38.64 1wj6 s PHE 21 CO -0.06 -1.22 0.00 1.63 -1.46 0.00 0.00 175.22 174.11 1wj6 n LYS 22 N 6.56 0.00 0.00 10.12 5.02 -1.26 0.59 118.16 139.19 1wj6 n LYS 22 Ca -0.06 0.00 0.01 0.00 -2.02 0.00 0.00 58.31 56.24 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 4.99 0.61 -4.85 4.39 5.15 -1.26 -5.02 115.26 119.27 1wj6 n ASN 23 Ca 0.00 -0.80 -0.34 0.00 -0.60 0.00 0.00 54.58 52.84 1wj6 n ASN 23 Cb 0.00 0.48 -0.06 0.00 -0.53 0.00 0.00 39.78 39.67 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 -0.59 4.00 -0.04 1.20 8.01 0.20 -5.08 118.70 126.39 1wj6 s GLU 24 Ca 0.01 0.57 0.02 0.00 0.01 0.00 0.00 54.97 55.58 1wj6 s GLU 24 Cb 0.01 -2.70 0.01 0.00 -4.31 0.00 0.00 34.13 27.14 1wj6 s GLU 24 CO 0.03 0.32 -0.09 0.42 0.01 0.00 0.00 175.26 175.96 1wj6 s ILE 25 N -1.72 0.82 0.18 -1.63 1.01 -1.26 0.23 121.20 118.82 1wj6 s ILE 25 Ca 0.46 -0.34 0.00 0.00 0.00 0.00 0.00 60.65 60.77 1wj6 s ILE 25 Cb -0.13 -0.75 -0.04 0.00 0.01 0.00 0.00 42.46 41.55 1wj6 s ILE 25 CO 0.19 0.27 0.07 -1.10 0.00 0.00 0.00 174.94 174.37 1wj6 s GLN 26 N 0.42 1.13 -0.03 2.79 -0.21 0.26 -4.98 119.66 119.04 1wj6 s GLN 26 Ca -0.07 -1.57 -0.00 0.00 0.02 0.00 0.00 55.36 53.74 1wj6 s GLN 26 Cb -0.11 0.05 0.03 0.00 1.00 0.00 0.00 33.01 33.97 1wj6 s GLN 26 CO 0.01 -0.27 0.05 0.45 -2.12 0.00 0.00 175.29 173.41 1wj6 s SER 27 N -3.15 0.04 -0.19 5.90 0.15 -1.25 -0.20 113.70 114.99 1wj6 s SER 27 Ca 0.30 0.08 -0.00 0.00 0.70 0.00 0.00 55.95 57.03 1wj6 s SER 27 Cb 0.07 -0.02 0.05 0.00 -1.71 0.00 0.00 66.02 64.41 1wj6 s SER 27 CO 0.07 -0.12 -0.04 -0.36 1.20 0.00 0.00 173.24 173.99 1wj6 s PHE 28 N 1.01 1.85 0.21 3.44 0.08 0.13 -4.92 117.98 119.78 1wj6 s PHE 28 Ca -0.08 -1.28 -0.30 0.00 0.12 0.00 0.00 56.93 55.39 1wj6 s PHE 28 Cb -0.12 -1.37 -0.08 0.00 -0.57 0.00 0.00 43.02 40.88 1wj6 s PHE 28 CO -0.03 -0.67 1.13 -1.17 -0.10 0.00 0.00 175.22 174.37 1wj6 s LEU 29 N 1.58 4.50 -0.47 -0.37 2.96 -1.26 -1.46 118.68 124.17 1wj6 s LEU 29 Ca -0.02 2.19 0.03 0.00 -0.22 0.00 0.00 54.13 56.11 1wj6 s LEU 29 Cb -0.17 -3.61 0.13 0.00 0.50 0.00 0.00 46.19 43.04 1wj6 s LEU 29 CO -0.07 -0.24 0.23 -0.69 -1.32 0.00 0.00 176.35 174.26 1wj6 s VAL 30 N -0.48 2.07 -1.10 1.68 1.01 0.04 -4.90 120.40 118.72 1wj6 s VAL 30 Ca 0.49 -2.89 0.11 0.00 0.00 0.00 0.00 61.98 59.69 1wj6 s VAL 30 Cb -0.31 -2.45 0.12 0.00 0.00 0.00 0.00 36.38 33.73 1wj6 s VAL 30 CO 0.37 -0.81 1.34 -0.24 0.00 0.00 0.00 175.10 175.76 1wj6 n SER 31 N 3.43 0.00 -3.15 3.32 2.88 -1.26 -1.92 113.62 116.93 1wj6 n SER 31 Ca 0.06 0.41 -0.22 0.00 -1.33 0.00 0.00 58.87 57.80 1wj6 n SER 31 Cb 0.34 -0.45 -0.06 0.00 -0.75 0.00 0.00 64.21 63.29 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 -1.45 -0.46 0.23 -3.46 5.75 -1.26 -4.30 116.55 111.60 1wj6 n ASP 32 Ca 0.03 -2.73 0.14 0.00 -0.01 0.00 0.00 54.79 52.23 1wj6 n ASP 32 Cb 0.12 -0.22 0.44 0.00 -1.03 0.00 0.00 41.12 40.43 1wj6 n ASP 32 CO 0.00 0.00 0.00 1.55 -0.11 0.00 0.00 177.20 178.64 1wj6 h PRO 33 N 4.28 0.00 0.04 0.11 0.13 -1.84 0.41 132.00 135.14 1wj6 h PRO 33 Ca 0.07 0.00 -0.35 0.00 -0.87 0.00 0.00 66.00 64.85 1wj6 h PRO 33 Cb 0.91 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.00 1wj6 h PRO 33 CO 0.41 0.00 -2.10 0.39 -0.23 0.00 0.00 178.00 176.47 1wj6 n GLU 34 N -2.97 0.69 0.02 0.86 1.02 -1.26 -4.45 120.64 114.55 1wj6 n GLU 34 Ca 0.02 0.20 -0.11 0.00 -0.02 0.00 0.00 57.16 57.26 1wj6 n GLU 34 Cb 0.40 -1.65 -0.08 0.00 -0.02 0.00 0.00 31.44 30.08 1wj6 n GLU 34 CO 0.00 0.00 0.00 -0.97 1.18 0.00 0.00 177.13 177.34 1wj6 h ASN 35 N 0.03 -0.13 -3.04 1.62 -0.73 -1.94 -3.45 115.58 107.94 1wj6 h ASN 35 Ca -0.45 -0.44 -0.45 0.00 1.87 0.00 0.00 56.30 56.82 1wj6 h ASN 35 Cb 2.03 0.03 0.22 0.00 0.27 0.00 0.00 38.32 40.88 1wj6 h ASN 35 CO 0.04 0.48 -0.34 1.07 -0.37 0.00 0.00 177.43 178.31 1wj6 n THR 36 N -4.86 0.00 -4.42 -3.57 5.66 0.13 -5.03 114.28 102.19 1wj6 n THR 36 Ca -0.08 -0.36 -0.27 0.00 -3.05 0.00 0.00 64.05 60.29 1wj6 n THR 36 Cb 0.28 -0.86 -0.12 0.00 -1.55 0.00 0.00 70.33 68.08 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 -2.37 2.33 0.28 1.09 -4.23 -1.26 -4.90 115.64 106.57 1wj6 s THR 37 Ca 0.64 -2.01 0.00 0.00 -1.18 0.00 0.00 61.69 59.15 1wj6 s THR 37 Cb -0.21 -2.11 0.28 0.00 1.34 0.00 0.00 72.50 71.80 1wj6 s THR 37 CO 0.65 -0.11 1.85 -0.25 -0.54 0.00 0.00 174.62 176.22 1wj6 h TRP 38 N 3.26 1.15 -0.97 3.99 -0.00 -1.89 0.27 115.95 121.75 1wj6 h TRP 38 Ca -0.47 0.03 0.14 0.00 -0.00 0.00 0.00 58.89 58.60 1wj6 h TRP 38 Cb 1.20 -0.37 -0.08 0.00 -0.00 0.00 0.00 29.16 29.91 1wj6 h TRP 38 CO 0.68 0.49 0.61 0.00 -0.00 0.00 0.00 178.44 180.22 1wj6 h ALA 39 N 1.51 1.66 -0.45 2.65 0.00 -1.95 0.88 119.26 123.56 1wj6 h ALA 39 Ca 0.48 0.03 -0.12 0.00 0.00 0.00 0.00 54.91 55.29 1wj6 h ALA 39 Cb 0.40 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 1wj6 h ALA 39 CO -0.24 0.07 -0.21 -0.44 0.00 0.00 0.00 179.25 178.43 1wj6 h ASP 40 N 0.85 0.93 0.60 0.00 3.32 -0.91 -2.58 116.42 118.63 1wj6 h ASP 40 Ca 0.49 -0.34 -0.03 0.00 0.02 0.00 0.00 57.03 57.17 1wj6 h ASP 40 Cb 0.64 -0.26 0.01 0.00 0.22 0.00 0.00 39.33 39.94 1wj6 h ASP 40 CO -0.26 1.11 -0.29 0.40 -1.72 0.00 0.00 179.24 178.47 1wj6 h ILE 41 N 0.79 0.02 -0.47 0.35 1.08 0.34 -1.69 117.51 117.93 1wj6 h ILE 41 Ca 0.11 -0.41 0.04 0.00 -0.39 0.00 0.00 64.86 64.21 1wj6 h ILE 41 Cb 0.77 0.04 -0.06 0.00 -3.07 0.00 0.00 36.82 34.50 1wj6 h ILE 41 CO 0.06 0.00 -0.28 1.21 -0.69 0.00 0.00 178.15 178.46 1wj6 n GLU 42 N -5.32 -0.21 -0.06 2.37 2.13 0.27 -0.06 120.64 119.77 1wj6 n GLU 42 Ca -0.10 1.18 -0.10 0.00 0.66 0.00 0.00 57.16 58.79 1wj6 n GLU 42 Cb 0.32 -1.75 -0.04 0.00 0.27 0.00 0.00 31.44 30.25 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 -0.23 -0.41 -0.75 4.31 0.00 -1.55 0.28 119.26 120.89 1wj6 h ALA 43 Ca 0.08 0.04 0.08 0.00 0.00 0.00 0.00 54.91 55.11 1wj6 h ALA 43 Cb 0.19 0.76 -0.11 0.00 0.00 0.00 0.00 17.79 18.64 1wj6 h ALA 43 CO -0.44 -0.84 -0.55 1.98 0.00 0.00 0.00 179.25 179.40 1wj6 h MET 44 N -0.38 -0.15 -0.79 0.00 1.85 0.26 1.14 114.93 116.86 1wj6 h MET 44 Ca 0.12 0.01 0.07 0.00 -0.61 0.00 0.00 59.70 59.29 1wj6 h MET 44 Cb 0.58 0.03 -0.06 0.00 0.43 0.00 0.00 31.60 32.58 1wj6 h MET 44 CO -0.47 -0.10 0.46 0.28 -0.40 0.00 0.00 176.91 176.68 1wj6 h VAL 45 N -0.16 0.98 0.00 -5.77 2.07 0.36 1.47 116.25 115.20 1wj6 h VAL 45 Ca 0.15 -0.28 0.00 0.00 0.82 0.00 0.00 66.70 67.38 1wj6 h VAL 45 Cb 0.50 0.08 0.00 0.00 -1.52 0.00 0.00 31.29 30.35 1wj6 h VAL 45 CO -0.80 0.15 0.00 0.29 0.02 0.00 0.00 177.57 177.23 1wj6 n LYS 46 N -4.71 0.00 -0.33 1.57 5.02 0.15 -1.75 118.16 118.11 1wj6 n LYS 46 Ca 0.11 0.50 0.14 0.00 -2.02 0.00 0.00 58.31 57.05 1wj6 n LYS 46 Cb 0.20 -1.49 0.37 0.00 -0.02 0.00 0.00 35.03 34.10 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 0.71 -1.01 -0.18 -1.51 0.12 1.72 116.25 116.10 1wj6 h VAL 47 Ca 0.00 -0.23 0.22 0.00 -1.23 0.00 0.00 66.70 65.46 1wj6 h VAL 47 Cb 0.00 -0.04 -0.11 0.00 -2.13 0.00 0.00 31.29 29.01 1wj6 h VAL 47 CO 0.00 0.12 0.61 0.28 -1.23 0.00 0.00 177.57 177.36 1wj6 h SER 48 N 0.68 0.69 -0.21 4.19 0.02 0.23 0.65 113.55 119.80 1wj6 h SER 48 Ca 0.55 0.11 0.00 0.00 -0.84 0.00 0.00 61.79 61.61 1wj6 h SER 48 Cb 0.96 -0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.50 1wj6 h SER 48 CO -0.32 0.18 0.00 0.49 -1.14 0.00 0.00 176.83 176.03 1wj6 n PHE 49 N -4.79 0.28 -3.02 3.45 3.72 0.12 -5.03 117.46 112.19 1wj6 n PHE 49 Ca 0.25 -0.48 -0.14 0.00 -0.05 0.00 0.00 57.45 57.03 1wj6 n PHE 49 Cb 0.69 -0.03 0.02 0.00 -0.94 0.00 0.00 39.48 39.21 1wj6 n PHE 49 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 1wj6 n ASP 50 N 0.14 -7.28 -4.01 4.37 9.92 0.54 -5.03 116.55 115.20 1wj6 n ASP 50 Ca 0.07 0.49 -0.10 0.00 -0.53 0.00 0.00 54.79 54.72 1wj6 n ASP 50 Cb 0.35 -4.23 -0.11 0.00 -0.64 0.00 0.00 41.12 36.50 1wj6 n ASP 50 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 1wj6 s LEU 51 N -2.32 2.26 -0.12 0.64 1.43 -0.79 -4.76 118.68 115.01 1wj6 s LEU 51 Ca 0.23 -0.54 -0.08 0.00 -1.03 0.00 0.00 54.13 52.71 1wj6 s LEU 51 Cb -0.05 0.03 -0.26 0.00 0.03 0.00 0.00 46.19 45.94 1wj6 s LEU 51 CO 0.75 -0.29 0.37 0.59 0.23 0.00 0.00 176.35 178.00 1wj6 n ASN 52 N 1.48 2.12 -3.73 2.29 4.13 -1.26 -4.49 115.26 115.79 1wj6 n ASN 52 Ca -0.23 0.23 -0.15 0.00 1.68 0.00 0.00 54.58 56.11 1wj6 n ASN 52 Cb 0.55 -0.88 -0.15 0.00 -1.54 0.00 0.00 39.78 37.76 1wj6 n ASN 52 CO 0.00 0.00 0.00 0.42 0.28 0.00 0.00 177.26 177.96 1wj6 s THR 53 N -2.55 -0.10 0.14 3.41 -4.23 -1.26 -5.04 115.64 106.01 1wj6 s THR 53 Ca -0.23 0.24 0.01 0.00 -1.18 0.00 0.00 61.69 60.53 1wj6 s THR 53 Cb 0.07 -0.21 -0.04 0.00 1.34 0.00 0.00 72.50 73.65 1wj6 s THR 53 CO 0.76 0.10 0.00 0.27 -0.54 0.00 0.00 174.62 175.21 1wj6 s ILE 54 N 1.45 0.49 -0.43 2.99 -4.36 -1.26 0.14 121.20 120.22 1wj6 s ILE 54 Ca -0.06 -1.94 0.09 0.00 -0.26 0.00 0.00 60.65 58.49 1wj6 s ILE 54 Cb -0.12 -1.98 0.32 0.00 1.25 0.00 0.00 42.46 41.93 1wj6 s ILE 54 CO -0.05 -0.58 0.72 1.67 0.24 0.00 0.00 174.94 176.93 1wj6 n GLN 55 N -0.14 1.42 -1.11 0.37 -0.06 0.52 -4.54 117.38 113.84 1wj6 n GLN 55 Ca -0.08 -3.70 -0.36 0.00 -2.00 0.00 0.00 57.00 50.87 1wj6 n GLN 55 Cb 0.63 -1.72 0.02 0.00 -4.06 0.00 0.00 30.24 25.10 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 0.51 0.00 -3.66 1.69 5.41 -1.26 -3.79 119.36 118.26 1wj6 n ILE 56 Ca 0.25 -0.46 -0.07 0.00 1.00 0.00 0.00 62.75 63.47 1wj6 n ILE 56 Cb 0.56 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 -1.13 0.37 0.02 0.38 1.02 0.12 -3.70 119.74 116.81 1wj6 s LYS 57 Ca 0.50 1.10 0.02 0.00 0.02 0.00 0.00 55.97 57.61 1wj6 s LYS 57 Cb -0.40 0.41 -0.04 0.00 -0.52 0.00 0.00 37.83 37.28 1wj6 s LYS 57 CO 0.65 -0.24 -0.01 1.52 -0.92 0.00 0.00 175.35 176.34 1wj6 s TYR 58 N 2.62 3.02 -0.08 3.18 -0.85 0.17 0.20 117.35 125.61 1wj6 s TYR 58 Ca -0.03 0.03 -0.30 0.00 -0.52 0.00 0.00 57.07 56.26 1wj6 s TYR 58 Cb -0.12 -1.63 -0.02 0.00 0.38 0.00 0.00 41.96 40.57 1wj6 s TYR 58 CO -0.14 0.45 1.00 -0.51 -1.52 0.00 0.00 175.55 174.83 1wj6 s LEU 59 N -1.66 4.28 0.00 -3.49 1.43 -0.78 0.15 118.68 118.61 1wj6 s LEU 59 Ca 0.20 1.56 0.00 0.00 -1.03 0.00 0.00 54.13 54.86 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 0.11 -0.41 0.00 -0.67 0.23 0.00 0.00 176.35 175.62 1wj6 n ASP 60 N 4.75 0.00 -0.61 2.29 -0.08 -0.98 -4.76 116.55 117.15 1wj6 n ASP 60 Ca 0.08 0.00 0.03 0.00 -1.51 0.00 0.00 54.79 53.39 1wj6 n ASP 60 Cb 0.49 0.00 0.11 0.00 2.34 0.00 0.00 41.12 44.06 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 1.78 0.00 -0.67 1.02 -1.26 -3.01 120.64 118.50 1wj6 n GLU 61 Ca 0.00 -0.86 0.00 0.00 -0.02 0.00 0.00 57.16 56.28 1wj6 n GLU 61 Cb 0.00 -1.40 0.00 0.00 -0.02 0.00 0.00 31.44 30.02 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 0.16 -0.64 -1.70 3.49 -0.58 -1.26 -4.98 120.64 115.14 1wj6 n GLU 62 Ca 0.08 -0.44 -0.09 0.00 -0.42 0.00 0.00 57.16 56.29 1wj6 n GLU 62 Cb 0.33 -0.89 -0.02 0.00 -0.57 0.00 0.00 31.44 30.28 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 -0.02 -3.64 -4.50 1.62 5.15 -1.16 -5.00 115.26 107.71 1wj6 n ASN 63 Ca 0.00 0.11 -0.35 0.00 -0.60 0.00 0.00 54.58 53.75 1wj6 n ASN 63 Cb 0.07 -2.41 -0.12 0.00 -0.53 0.00 0.00 39.78 36.78 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 -3.57 3.70 0.10 1.20 2.02 -1.26 -4.85 118.70 116.03 1wj6 s GLU 64 Ca 0.00 -0.49 -0.32 0.00 0.02 0.00 0.00 54.97 54.18 1wj6 s GLU 64 Cb 0.00 -3.07 -0.11 0.00 0.10 0.00 0.00 34.13 31.05 1wj6 s GLU 64 CO 0.00 0.11 1.81 0.39 0.02 0.00 0.00 175.26 177.59 1wj6 n GLU 65 N 3.95 2.60 -4.14 1.61 1.02 -1.26 -2.33 120.64 122.08 1wj6 n GLU 65 Ca -0.17 0.94 -0.33 0.00 -0.02 0.00 0.00 57.16 57.59 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 2.66 2.04 0.05 2.62 1.01 0.40 -4.84 120.40 124.35 1wj6 s VAL 66 Ca 0.83 -0.93 -0.21 0.00 0.00 0.00 0.00 61.98 61.67 1wj6 s VAL 66 Cb -0.55 -1.84 -0.06 0.00 0.00 0.00 0.00 36.38 33.93 1wj6 s VAL 66 CO 0.40 0.54 0.62 -0.94 0.00 0.00 0.00 175.10 175.72 1wj6 s SER 67 N 1.27 7.09 -0.29 3.32 1.04 -1.26 0.44 113.70 125.31 1wj6 s SER 67 Ca 0.04 1.29 -0.10 0.00 0.48 0.00 0.00 55.95 57.66 1wj6 s SER 67 Cb -0.13 -2.39 -0.03 0.00 0.10 0.00 0.00 66.02 63.57 1wj6 s SER 67 CO -0.12 0.18 0.17 -0.63 0.98 0.00 0.00 173.24 173.81 1wj6 s ILE 68 N -0.68 4.93 -0.12 -1.02 1.01 -1.24 -4.92 121.20 119.16 1wj6 s ILE 68 Ca 0.31 -0.12 0.15 0.00 0.00 0.00 0.00 60.65 61.00 1wj6 s ILE 68 Cb -0.20 -3.42 0.36 0.00 0.01 0.00 0.00 42.46 39.22 1wj6 s ILE 68 CO 0.20 0.17 1.17 0.59 0.00 0.00 0.00 174.94 177.07 1wj6 n ASN 69 N 5.02 1.44 -3.62 3.58 3.02 -1.26 -4.85 115.26 118.59 1wj6 n ASN 69 Ca -0.14 -3.05 -0.03 0.00 -0.03 0.00 0.00 54.58 51.33 1wj6 n ASN 69 Cb 0.51 -0.42 -0.01 0.00 -0.61 0.00 0.00 39.78 39.25 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 -2.61 -0.15 0.03 6.41 0.15 -1.26 -5.03 113.70 111.24 1wj6 s SER 70 Ca 0.32 -0.13 -0.26 0.00 0.70 0.00 0.00 55.95 56.58 1wj6 s SER 70 Cb 0.33 0.26 -0.17 0.00 -1.71 0.00 0.00 66.02 64.72 1wj6 s SER 70 CO -0.08 -0.45 1.39 -0.61 1.20 0.00 0.00 173.24 174.70 1wj6 h GLN 71 N 2.00 -0.33 -0.87 5.44 5.75 -1.98 -2.64 115.11 122.49 1wj6 h GLN 71 Ca -0.22 0.02 0.21 0.00 -0.15 0.00 0.00 58.65 58.51 1wj6 h GLN 71 Cb 1.20 0.07 -0.12 0.00 1.07 0.00 0.00 27.48 29.71 1wj6 h GLN 71 CO 0.27 -0.05 0.33 0.78 -2.65 0.00 0.00 178.83 177.51 1wj6 h GLY 72 N -0.59 1.42 0.91 2.39 0.00 -1.99 0.32 103.07 105.52 1wj6 h GLY 72 Ca -0.03 -0.13 0.02 0.00 0.00 0.00 0.00 47.33 47.19 1wj6 h GLY 72 CO 0.06 -0.26 0.32 0.83 0.00 0.00 0.00 176.54 177.48 1wj6 h GLU 73 N 0.35 0.62 0.05 4.80 5.08 -1.93 -2.47 114.58 121.09 1wj6 h GLU 73 Ca 0.53 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.85 1wj6 h GLU 73 Cb 1.00 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 30.11 1wj6 h GLU 73 CO -0.54 0.41 -0.02 -0.92 -1.00 0.00 0.00 179.01 176.94 1wj6 h TYR 74 N 0.64 -0.06 -0.45 4.33 3.20 -0.19 -2.62 116.97 121.82 1wj6 h TYR 74 Ca 0.21 -0.00 0.04 0.00 3.14 0.00 0.00 58.73 62.12 1wj6 h TYR 74 Cb -0.00 0.02 -0.06 0.00 1.54 0.00 0.00 36.73 38.22 1wj6 h TYR 74 CO -0.06 0.20 -0.35 0.93 -1.64 0.00 0.00 178.16 177.25 1wj6 h GLU 75 N -0.32 -0.10 -0.35 1.82 5.08 -0.35 0.47 114.58 120.83 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 0.29 0.02 -0.09 0.00 0.50 0.00 0.00 28.75 29.48 1wj6 h GLU 75 CO 0.01 -0.07 -0.41 0.93 -1.00 0.00 0.00 179.01 178.48 1wj6 h GLU 76 N -0.11 -0.33 -0.92 2.33 4.39 -1.49 0.34 114.58 118.79 1wj6 h GLU 76 Ca 0.07 0.02 0.23 0.00 0.34 0.00 0.00 59.36 60.03 1wj6 h GLU 76 Cb 0.30 0.08 -0.13 0.00 -0.10 0.00 0.00 28.75 28.90 1wj6 h GLU 76 CO -0.48 -0.22 0.42 0.00 -1.16 0.00 0.00 179.01 177.57 1wj6 h ALA 77 N 0.43 1.51 -0.49 3.43 0.00 -0.75 1.16 119.26 124.55 1wj6 h ALA 77 Ca 0.13 0.16 -0.08 0.00 0.00 0.00 0.00 54.91 55.13 1wj6 h ALA 77 Cb 0.58 0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.50 1wj6 h ALA 77 CO -0.53 -0.36 -0.00 -0.07 0.00 0.00 0.00 179.25 178.29 1wj6 h LEU 78 N 0.40 0.78 -0.68 0.00 3.38 0.34 0.27 115.31 119.81 1wj6 h LEU 78 Ca 0.58 -0.19 -0.06 0.00 0.09 0.00 0.00 57.88 58.30 1wj6 h LEU 78 Cb 1.13 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 41.65 1wj6 h LEU 78 CO -0.54 0.85 0.18 0.11 0.09 0.00 0.00 178.44 179.13 1wj6 h LYS 79 N 0.76 1.07 -0.29 1.13 1.57 0.45 -2.87 116.57 118.39 1wj6 h LYS 79 Ca 0.15 -0.25 -0.06 0.00 -1.87 0.00 0.00 60.65 58.62 1wj6 h LYS 79 Cb 0.46 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.62 1wj6 h LYS 79 CO 0.02 0.95 -0.06 1.98 -0.57 0.00 0.00 179.45 181.77 1wj6 h MET 80 N 1.00 0.55 -0.89 3.15 4.05 0.01 -2.94 114.93 119.85 1wj6 h MET 80 Ca 0.21 -0.20 0.23 0.00 -0.28 0.00 0.00 59.70 59.66 1wj6 h MET 80 Cb 0.34 -0.03 -0.13 0.00 -0.80 0.00 0.00 31.60 30.98 1wj6 h MET 80 CO -0.00 0.74 0.34 0.00 0.23 0.00 0.00 176.91 178.22 1wj6 h ALA 81 N 0.79 1.40 -0.83 0.39 0.00 -0.75 1.39 119.26 121.65 1wj6 h ALA 81 Ca 0.07 0.19 0.09 0.00 0.00 0.00 0.00 54.91 55.27 1wj6 h ALA 81 Cb 0.53 0.22 -0.06 0.00 0.00 0.00 0.00 17.79 18.48 1wj6 h ALA 81 CO 0.03 -0.41 0.54 0.28 0.00 0.00 0.00 179.25 179.68 1wj6 h VAL 82 N 0.31 0.96 -0.25 0.00 2.07 -1.32 -0.31 116.25 117.70 1wj6 h VAL 82 Ca 0.57 -0.27 0.00 0.00 0.82 0.00 0.00 66.70 67.82 1wj6 h VAL 82 Cb 1.13 0.10 -0.01 0.00 -1.52 0.00 0.00 31.29 30.98 1wj6 h VAL 82 CO -0.59 0.14 0.16 0.11 0.02 0.00 0.00 177.57 177.42 1wj6 h LYS 83 N 0.79 0.33 0.17 1.57 1.57 0.18 -3.23 116.57 117.95 1wj6 h LYS 83 Ca 0.38 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 59.13 1wj6 h LYS 83 Cb 0.42 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.66 1wj6 h LYS 83 CO -0.15 0.23 -0.08 1.96 -0.57 0.00 0.00 179.45 180.84 1wj6 h GLN 84 N 0.34 -0.21 0.00 3.15 4.20 -0.53 -3.46 115.11 118.59 1wj6 h GLN 84 Ca 0.09 0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.82 1wj6 h GLN 84 Cb -0.03 0.05 0.00 0.00 0.30 0.00 0.00 27.48 27.80 1wj6 h GLN 84 CO -0.02 -0.14 0.00 0.41 -0.67 0.00 0.00 178.83 178.41 1wj6 n GLY 85 N -1.11 0.00 2.25 3.46 0.00 -0.38 -4.94 105.19 104.48 1wj6 n GLY 85 Ca -0.03 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.90 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 -3.39 -3.81 1.61 4.13 -0.61 -4.91 115.26 108.28 1wj6 n ASN 86 Ca 0.00 -0.09 -0.11 0.00 1.68 0.00 0.00 54.58 56.06 1wj6 n ASN 86 Cb 0.00 -2.40 -0.08 0.00 -1.54 0.00 0.00 39.78 35.76 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 -4.87 0.75 -0.03 3.52 1.03 -1.16 0.19 119.66 119.10 1wj6 s GLN 87 Ca 0.10 -0.61 -0.01 0.00 0.04 0.00 0.00 55.36 54.87 1wj6 s GLN 87 Cb -0.04 0.31 0.02 0.00 0.03 0.00 0.00 33.01 33.33 1wj6 s GLN 87 CO 0.12 -0.23 0.06 -1.17 -2.54 0.00 0.00 175.29 171.53 1wj6 s LEU 88 N -2.14 1.33 -0.62 2.60 2.96 0.19 -4.29 118.68 118.72 1wj6 s LEU 88 Ca -0.04 0.11 -0.21 0.00 -0.22 0.00 0.00 54.13 53.77 1wj6 s LEU 88 Cb -0.01 0.10 0.09 0.00 0.50 0.00 0.00 46.19 46.87 1wj6 s LEU 88 CO -0.04 -0.08 0.83 -1.10 -1.32 0.00 0.00 176.35 174.63 1wj6 s GLN 89 N 0.65 3.08 0.02 1.98 -1.52 -1.26 0.16 119.66 122.77 1wj6 s GLN 89 Ca -0.05 -1.06 0.01 0.00 -1.95 0.00 0.00 55.36 52.31 1wj6 s GLN 89 Cb -0.07 -4.24 -0.04 0.00 -0.22 0.00 0.00 33.01 28.44 1wj6 s GLN 89 CO -0.02 -1.66 0.05 -1.64 -0.25 0.00 0.00 175.29 171.77 1wj6 s MET 90 N 3.35 2.91 -0.15 2.91 -1.94 0.48 -1.86 119.30 125.00 1wj6 s MET 90 Ca 0.17 -0.59 0.00 0.00 -1.71 0.00 0.00 55.69 53.56 1wj6 s MET 90 Cb -0.20 -2.76 0.02 0.00 2.01 0.00 0.00 34.83 33.91 1wj6 s MET 90 CO 0.08 0.62 -0.13 -0.65 -0.01 0.00 0.00 175.02 174.94 1wj6 s GLN 91 N -1.86 2.13 0.29 2.03 -0.21 0.54 0.97 119.66 123.55 1wj6 s GLN 91 Ca 0.23 -0.53 -0.29 0.00 0.02 0.00 0.00 55.36 54.79 1wj6 s GLN 91 Cb -0.12 -2.05 -0.10 0.00 1.00 0.00 0.00 33.01 31.75 1wj6 s GLN 91 CO 0.15 -0.26 1.17 0.08 -2.12 0.00 0.00 175.29 174.30 1wj6 s VAL 92 N 1.52 3.25 -0.32 1.09 1.01 -0.82 0.16 120.40 126.28 1wj6 s VAL 92 Ca 0.04 1.26 -0.02 0.00 0.00 0.00 0.00 61.98 63.26 1wj6 s VAL 92 Cb -0.13 -3.80 0.12 0.00 0.00 0.00 0.00 36.38 32.57 1wj6 s VAL 92 CO -0.10 0.30 0.17 -1.00 0.00 0.00 0.00 175.10 174.47 1wj6 s HIS 93 N -1.11 0.61 -0.20 5.22 3.76 -1.25 -4.28 115.29 118.04 1wj6 s HIS 93 Ca 0.46 -1.32 -0.40 0.00 -0.15 0.00 0.00 55.06 53.65 1wj6 s HIS 93 Cb -0.34 -0.97 -0.16 0.00 1.11 0.00 0.00 32.58 32.22 1wj6 s HIS 93 CO 0.44 -0.83 1.61 -1.91 -0.85 0.00 0.00 174.74 173.21 1wj6 n GLU 94 N 4.60 1.01 0.00 1.40 0.00 -1.26 0.19 120.64 126.58 1wj6 n GLU 94 Ca 0.03 0.37 0.00 0.00 0.00 0.00 0.00 57.16 57.56 1wj6 n GLU 94 Cb 0.39 -2.02 0.00 0.00 0.00 0.00 0.00 31.44 29.81 1wj6 n GLU 94 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1wj6 n GLY 95 N 3.68 -0.38 3.49 8.31 0.00 0.12 -4.76 105.19 115.65 1wj6 n GLY 95 Ca 0.25 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.30 1wj6 n GLY 95 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wj6 s SER 96 N -1.60 -0.05 -0.30 1.61 0.15 -1.26 -5.00 113.70 107.24 1wj6 s SER 96 Ca 0.00 0.08 -0.19 0.00 0.70 0.00 0.00 55.95 56.55 1wj6 s SER 96 Cb 0.00 1.04 0.21 0.00 -1.71 0.00 0.00 66.02 65.56 1wj6 s SER 96 CO 0.00 -0.01 1.33 -0.83 1.20 0.00 0.00 173.24 174.93 1wj6 s GLY 97 N 1.37 0.59 -0.03 9.45 0.00 -1.26 -4.62 107.32 112.82 1wj6 s GLY 97 Ca -0.05 3.80 -0.05 0.00 0.00 0.00 0.00 44.72 48.41 1wj6 s GLY 97 CO -0.12 2.54 0.33 -0.56 0.00 0.00 0.00 173.10 175.29 1wj6 h PRO 98 N 4.50 -0.18 -6.02 2.90 0.13 -2.02 -3.46 132.00 127.85 1wj6 h PRO 98 Ca -0.26 0.01 -0.77 0.00 -0.87 0.00 0.00 66.00 64.11 1wj6 h PRO 98 Cb 1.17 0.04 0.06 0.00 0.13 0.00 0.00 31.00 32.39 1wj6 h PRO 98 CO 0.22 -0.12 0.03 0.45 -0.23 0.00 0.00 178.00 178.35 1wj6 n SER 99 N -3.65 -0.01 -1.25 1.44 2.88 -1.26 -4.44 113.62 107.32 1wj6 n SER 99 Ca -0.02 1.16 0.08 0.00 -1.33 0.00 0.00 58.87 58.75 1wj6 n SER 99 Cb 0.07 -0.94 -0.05 0.00 -0.75 0.00 0.00 64.21 62.55 1wj6 n SER 99 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1wj6 n SER 100 N 1.60 -6.76 0.00 -3.46 7.64 -1.26 -4.72 113.62 106.65 1wj6 n SER 100 Ca 0.20 1.38 0.00 0.00 1.01 0.00 0.00 58.87 61.45 1wj6 n SER 100 Cb 0.10 -4.12 0.00 0.00 -1.01 0.00 0.00 64.21 59.18 1wj6 n SER 100 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64