#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 -0.43 -0.13 1.61 0.15 -1.26 -5.18 113.70 108.46 1wj6 s SER 2 Ca 0.00 0.45 -0.24 0.00 0.70 0.00 0.00 55.95 56.86 1wj6 s SER 2 Cb 0.00 0.36 0.06 0.00 -1.71 0.00 0.00 66.02 64.73 1wj6 s SER 2 CO 0.00 -0.42 0.60 -0.55 1.20 0.00 0.00 173.24 174.07 1wj6 s SER 3 N -1.21 -0.58 0.00 5.45 0.15 -1.26 -5.00 113.70 111.25 1wj6 s SER 3 Ca -0.03 0.88 0.00 0.00 0.70 0.00 0.00 55.95 57.50 1wj6 s SER 3 Cb -0.00 0.86 0.00 0.00 -1.71 0.00 0.00 66.02 65.16 1wj6 s SER 3 CO 0.03 -0.39 0.00 0.61 1.20 0.00 0.00 173.24 174.68 1wj6 n GLY 4 N 1.85 2.50 3.39 9.45 0.00 -1.26 -5.07 105.19 116.05 1wj6 n GLY 4 Ca -0.17 -0.66 -0.58 0.00 0.00 0.00 0.00 46.02 44.62 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 1.33 -3.69 1.61 2.88 -1.26 -4.85 113.62 109.65 1wj6 n SER 5 Ca 0.00 0.67 -0.06 0.00 -1.33 0.00 0.00 58.87 58.15 1wj6 n SER 5 Cb 0.00 -1.03 -0.01 0.00 -0.75 0.00 0.00 64.21 62.42 1wj6 n SER 5 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1wj6 s SER 6 N 5.94 -0.19 0.00 -3.46 0.01 -1.26 -5.11 113.70 109.63 1wj6 s SER 6 Ca 1.14 -0.63 0.00 0.00 1.31 0.00 0.00 55.95 57.77 1wj6 s SER 6 Cb -1.28 0.67 0.00 0.00 0.21 0.00 0.00 66.02 65.63 1wj6 s SER 6 CO 0.62 -1.27 0.00 0.61 0.41 0.00 0.00 173.24 173.62 1wj6 n GLY 7 N -0.48 0.41 3.35 3.44 0.00 -1.26 -4.68 105.19 105.96 1wj6 n GLY 7 Ca -0.05 -1.61 -0.38 0.00 0.00 0.00 0.00 46.02 43.98 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 0.97 2.33 -4.04 1.61 -0.04 -1.26 -4.82 135.00 129.75 1wj6 n PRO 8 Ca 0.00 -2.65 -0.15 0.00 -0.04 0.00 0.00 63.50 60.66 1wj6 n PRO 8 Cb 0.00 -3.43 -0.03 0.00 -0.04 0.00 0.00 33.50 30.00 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 9.71 -1.60 -1.12 0.54 8.25 -1.26 -5.13 115.22 124.62 1wj6 n HIS 9 Ca 0.48 -2.38 0.02 0.00 -0.26 0.00 0.00 57.72 55.59 1wj6 n HIS 9 Cb 0.44 0.62 -0.01 0.00 1.12 0.00 0.00 29.99 32.15 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 -1.60 -6.03 -3.45 0.41 7.64 -1.26 -4.94 113.62 104.39 1wj6 n SER 10 Ca -0.00 1.31 -0.30 0.00 1.01 0.00 0.00 58.87 60.88 1wj6 n SER 10 Cb 0.61 -3.42 0.26 0.00 -1.01 0.00 0.00 64.21 60.65 1wj6 n SER 10 CO 0.00 0.00 0.00 0.23 -3.01 0.00 0.00 175.04 172.26 1wj6 n MET 11 N -2.54 -3.60 -3.37 1.43 2.81 -1.26 -5.04 117.12 105.56 1wj6 n MET 11 Ca -0.01 -1.65 -0.27 0.00 -1.81 0.00 0.00 57.70 53.95 1wj6 n MET 11 Cb 0.37 -1.69 -0.03 0.00 -0.71 0.00 0.00 33.22 31.17 1wj6 n MET 11 CO 0.00 0.00 0.00 -1.21 1.51 0.00 0.00 175.97 176.27 1wj6 s GLU 12 N -5.35 3.59 0.01 0.03 2.02 -1.26 -5.02 118.70 112.72 1wj6 s GLU 12 Ca 0.69 -0.10 -0.19 0.00 0.02 0.00 0.00 54.97 55.39 1wj6 s GLU 12 Cb -0.08 -2.66 -0.22 0.00 0.10 0.00 0.00 34.13 31.27 1wj6 s GLU 12 CO 0.54 0.21 1.14 -1.00 0.02 0.00 0.00 175.26 176.17 1wj6 h PRO 13 N 1.49 0.43 -4.44 0.39 0.13 -1.89 -3.44 132.00 124.67 1wj6 h PRO 13 Ca -0.48 -0.42 -0.47 0.00 -0.87 0.00 0.00 66.00 63.77 1wj6 h PRO 13 Cb 1.20 0.11 -0.07 0.00 0.13 0.00 0.00 31.00 32.36 1wj6 h PRO 13 CO 0.65 1.07 1.46 1.04 -0.23 0.00 0.00 178.00 181.99 1wj6 n GLN 14 N -4.24 0.00 -4.02 0.86 6.02 -1.18 -4.65 117.38 110.17 1wj6 n GLN 14 Ca -0.10 0.00 -0.33 0.00 -0.01 0.00 0.00 57.00 56.57 1wj6 n GLN 14 Cb 0.64 -1.29 -0.06 0.00 1.02 0.00 0.00 30.24 30.54 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 7.36 4.98 -0.53 5.09 1.01 -0.75 -4.80 120.40 132.77 1wj6 s VAL 15 Ca 1.15 -0.35 -0.17 0.00 0.00 0.00 0.00 61.98 62.61 1wj6 s VAL 15 Cb -1.12 -3.31 0.09 0.00 0.00 0.00 0.00 36.38 32.05 1wj6 s VAL 15 CO 0.44 0.32 0.55 -0.89 0.00 0.00 0.00 175.10 175.52 1wj6 s THR 16 N -1.26 5.06 -0.68 3.92 2.01 0.53 -0.86 115.64 124.34 1wj6 s THR 16 Ca 0.25 -1.06 -0.23 0.00 0.31 0.00 0.00 61.69 60.96 1wj6 s THR 16 Cb -0.12 -4.31 0.06 0.00 0.01 0.00 0.00 72.50 68.14 1wj6 s THR 16 CO 0.17 -0.84 1.04 -0.76 -0.69 0.00 0.00 174.62 173.53 1wj6 s LEU 17 N 2.08 4.14 -0.59 4.42 1.43 -0.59 0.34 118.68 129.90 1wj6 s LEU 17 Ca 0.08 -0.91 -0.24 0.00 -1.03 0.00 0.00 54.13 52.04 1wj6 s LEU 17 Cb -0.25 -2.45 0.05 0.00 0.03 0.00 0.00 46.19 43.57 1wj6 s LEU 17 CO 0.07 -1.52 0.96 0.20 0.23 0.00 0.00 176.35 176.29 1wj6 s ASN 18 N 3.71 6.27 -0.20 2.29 0.01 0.14 -1.02 114.94 126.14 1wj6 s ASN 18 Ca 0.25 -0.57 -0.12 0.00 -0.71 0.00 0.00 52.86 51.71 1wj6 s ASN 18 Cb -0.15 -2.43 -0.05 0.00 0.41 0.00 0.00 41.25 39.03 1wj6 s ASN 18 CO 0.11 -1.32 0.21 -0.69 -1.51 0.00 0.00 177.10 173.90 1wj6 s VAL 19 N 4.05 5.35 -0.33 1.60 1.01 0.15 0.19 120.40 132.41 1wj6 s VAL 19 Ca 0.28 0.34 0.04 0.00 0.00 0.00 0.00 61.98 62.63 1wj6 s VAL 19 Cb -0.14 -3.55 0.10 0.00 0.00 0.00 0.00 36.38 32.79 1wj6 s VAL 19 CO 0.16 0.38 0.04 -0.89 0.00 0.00 0.00 175.10 174.79 1wj6 s THR 20 N 0.67 2.26 -0.38 3.92 2.01 0.11 0.16 115.64 124.39 1wj6 s THR 20 Ca 0.11 -2.29 -0.16 0.00 0.31 0.00 0.00 61.69 59.66 1wj6 s THR 20 Cb -0.13 -2.65 0.00 0.00 0.01 0.00 0.00 72.50 69.74 1wj6 s THR 20 CO 0.02 -0.56 0.40 0.12 -0.69 0.00 0.00 174.62 173.92 1wj6 s PHE 21 N 0.92 3.19 0.00 4.92 5.36 0.43 -2.46 117.98 130.35 1wj6 s PHE 21 Ca 0.09 -0.18 0.00 0.00 -0.96 0.00 0.00 56.93 55.88 1wj6 s PHE 21 Cb -0.19 -2.79 0.00 0.00 -0.34 0.00 0.00 43.02 39.70 1wj6 s PHE 21 CO -0.08 -0.56 0.00 1.63 -1.46 0.00 0.00 175.22 174.75 1wj6 n LYS 22 N 5.50 0.00 0.00 10.12 5.02 -1.26 0.12 118.16 137.66 1wj6 n LYS 22 Ca -0.08 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.21 1wj6 n LYS 22 Cb 0.48 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.49 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 4.65 0.89 -4.90 4.39 2.85 -1.26 -5.04 115.26 116.83 1wj6 n ASN 23 Ca 0.00 -1.09 -0.29 0.00 -0.11 0.00 0.00 54.58 53.09 1wj6 n ASN 23 Cb 0.00 0.00 -0.03 0.00 1.24 0.00 0.00 39.78 40.99 1wj6 n ASN 23 CO 0.00 0.00 0.00 -0.70 -2.11 0.00 0.00 177.26 174.45 1wj6 s GLU 24 N -0.09 3.65 -0.02 1.20 2.12 0.32 -5.10 118.70 120.78 1wj6 s GLU 24 Ca 0.00 0.04 0.02 0.00 0.36 0.00 0.00 54.97 55.40 1wj6 s GLU 24 Cb 0.00 -2.65 0.00 0.00 0.26 0.00 0.00 34.13 31.75 1wj6 s GLU 24 CO 0.00 0.23 -0.08 0.42 -0.54 0.00 0.00 175.26 175.29 1wj6 s ILE 25 N -2.04 0.73 0.12 -3.70 1.01 -1.26 -0.42 121.20 115.64 1wj6 s ILE 25 Ca 0.44 -0.33 -0.00 0.00 0.00 0.00 0.00 60.65 60.76 1wj6 s ILE 25 Cb -0.11 -0.66 -0.04 0.00 0.01 0.00 0.00 42.46 41.66 1wj6 s ILE 25 CO 0.29 0.23 0.02 -1.10 0.00 0.00 0.00 174.94 174.38 1wj6 s GLN 26 N 0.21 0.89 -0.02 2.79 -1.52 0.43 -4.98 119.66 117.46 1wj6 s GLN 26 Ca -0.03 -1.41 -0.01 0.00 -1.95 0.00 0.00 55.36 51.96 1wj6 s GLN 26 Cb -0.08 0.10 0.02 0.00 -0.22 0.00 0.00 33.01 32.83 1wj6 s GLN 26 CO 0.00 -0.19 0.05 0.45 -0.25 0.00 0.00 175.29 175.35 1wj6 s SER 27 N -3.05 0.02 -0.18 5.90 0.15 -1.25 0.30 113.70 115.59 1wj6 s SER 27 Ca 0.20 0.08 -0.01 0.00 0.70 0.00 0.00 55.95 56.92 1wj6 s SER 27 Cb 0.07 -0.00 0.05 0.00 -1.71 0.00 0.00 66.02 64.43 1wj6 s SER 27 CO -0.01 -0.10 -0.02 -0.36 1.20 0.00 0.00 173.24 173.95 1wj6 s PHE 28 N 0.84 1.55 0.18 3.44 0.08 -0.19 -4.92 117.98 118.95 1wj6 s PHE 28 Ca -0.07 -1.07 -0.30 0.00 0.12 0.00 0.00 56.93 55.61 1wj6 s PHE 28 Cb -0.10 -1.24 -0.08 0.00 -0.57 0.00 0.00 43.02 41.04 1wj6 s PHE 28 CO -0.03 -0.62 1.10 -1.17 -0.10 0.00 0.00 175.22 174.40 1wj6 s LEU 29 N 1.68 4.49 -0.45 -0.37 2.96 -1.26 -1.55 118.68 124.19 1wj6 s LEU 29 Ca -0.01 2.09 0.03 0.00 -0.22 0.00 0.00 54.13 56.02 1wj6 s LEU 29 Cb -0.16 -3.60 0.12 0.00 0.50 0.00 0.00 46.19 43.05 1wj6 s LEU 29 CO -0.07 -0.22 0.21 -0.69 -1.32 0.00 0.00 176.35 174.25 1wj6 s VAL 30 N -0.22 2.06 -1.07 1.68 1.01 -0.04 -4.90 120.40 118.93 1wj6 s VAL 30 Ca 0.49 -2.80 0.10 0.00 0.00 0.00 0.00 61.98 59.78 1wj6 s VAL 30 Cb -0.29 -2.46 0.10 0.00 0.00 0.00 0.00 36.38 33.73 1wj6 s VAL 30 CO 0.35 -0.79 1.32 -0.24 0.00 0.00 0.00 175.10 175.74 1wj6 n SER 31 N 3.55 0.00 -3.14 3.32 2.88 -1.26 -1.80 113.62 117.17 1wj6 n SER 31 Ca 0.05 0.44 -0.21 0.00 -1.33 0.00 0.00 58.87 57.83 1wj6 n SER 31 Cb 0.35 -0.47 -0.05 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 -1.47 -0.64 0.23 -3.46 5.75 -1.26 -4.23 116.55 111.47 1wj6 n ASP 32 Ca 0.03 -2.73 0.12 0.00 -0.01 0.00 0.00 54.79 52.20 1wj6 n ASP 32 Cb 0.12 -0.11 0.38 0.00 -1.03 0.00 0.00 41.12 40.47 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 4.39 0.00 0.06 0.11 0.13 -1.82 0.61 132.00 135.49 1wj6 h PRO 33 Ca 0.08 0.00 -0.34 0.00 -0.87 0.00 0.00 66.00 64.86 1wj6 h PRO 33 Cb 0.92 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.02 1wj6 h PRO 33 CO 0.40 0.13 -1.97 0.39 -0.23 0.00 0.00 178.00 176.71 1wj6 n GLU 34 N -3.19 0.70 0.06 0.86 1.02 -1.26 -4.42 120.64 114.41 1wj6 n GLU 34 Ca 0.02 0.25 -0.09 0.00 -0.02 0.00 0.00 57.16 57.31 1wj6 n GLU 34 Cb 0.47 -1.71 -0.06 0.00 -0.02 0.00 0.00 31.44 30.12 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 0.04 -0.21 -3.53 1.62 -0.73 -1.94 -3.46 115.58 107.37 1wj6 h ASN 35 Ca -0.40 -0.26 -0.51 0.00 1.87 0.00 0.00 56.30 57.00 1wj6 h ASN 35 Cb 2.03 0.06 0.21 0.00 0.27 0.00 0.00 38.32 40.89 1wj6 h ASN 35 CO 0.07 0.33 -0.30 1.07 -0.37 0.00 0.00 177.43 178.22 1wj6 n THR 36 N -4.94 0.00 -4.16 -3.57 5.66 0.20 -5.01 114.28 102.47 1wj6 n THR 36 Ca -0.07 -0.17 -0.29 0.00 -3.05 0.00 0.00 64.05 60.47 1wj6 n THR 36 Cb 0.23 -0.79 -0.08 0.00 -1.55 0.00 0.00 70.33 68.14 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 -2.46 3.91 0.29 1.09 -4.23 -1.26 -4.88 115.64 108.10 1wj6 s THR 37 Ca 0.62 -1.16 -0.00 0.00 -1.18 0.00 0.00 61.69 59.96 1wj6 s THR 37 Cb -0.21 -2.90 0.28 0.00 1.34 0.00 0.00 72.50 71.00 1wj6 s THR 37 CO 0.64 0.02 1.89 -0.25 -0.54 0.00 0.00 174.62 176.38 1wj6 h TRP 38 N 3.12 1.12 -1.00 3.99 -0.00 -1.89 0.13 115.95 121.41 1wj6 h TRP 38 Ca -0.48 0.03 0.10 0.00 -0.00 0.00 0.00 58.89 58.54 1wj6 h TRP 38 Cb 1.18 -0.37 -0.08 0.00 -0.00 0.00 0.00 29.16 29.90 1wj6 h TRP 38 CO 0.61 0.55 0.64 0.00 -0.00 0.00 0.00 178.44 180.24 1wj6 h ALA 39 N 1.50 1.49 -0.38 2.65 0.00 -1.94 0.37 119.26 122.93 1wj6 h ALA 39 Ca 0.43 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 55.29 1wj6 h ALA 39 Cb 0.26 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 1wj6 h ALA 39 CO -0.18 0.30 0.01 -0.44 0.00 0.00 0.00 179.25 178.94 1wj6 h ASP 40 N 1.06 0.57 0.48 0.00 5.19 -1.17 -2.54 116.42 120.00 1wj6 h ASP 40 Ca 0.47 -0.11 -0.02 0.00 -0.62 0.00 0.00 57.03 56.75 1wj6 h ASP 40 Cb 0.38 -0.15 0.00 0.00 0.18 0.00 0.00 39.33 39.74 1wj6 h ASP 40 CO -0.23 0.63 -0.23 0.40 -3.12 0.00 0.00 179.24 176.69 1wj6 h ILE 41 N 0.58 0.07 -0.41 0.35 1.08 0.02 -2.06 117.51 117.13 1wj6 h ILE 41 Ca 0.12 -0.54 0.04 0.00 -0.39 0.00 0.00 64.86 64.09 1wj6 h ILE 41 Cb 0.35 0.11 -0.05 0.00 -3.07 0.00 0.00 36.82 34.15 1wj6 h ILE 41 CO 0.01 0.01 -0.24 1.21 -0.69 0.00 0.00 178.15 178.45 1wj6 n GLU 42 N -5.21 -0.18 -0.01 2.37 2.13 0.96 -0.49 120.64 120.21 1wj6 n GLU 42 Ca -0.08 1.10 -0.13 0.00 0.66 0.00 0.00 57.16 58.71 1wj6 n GLU 42 Cb 0.27 -1.64 -0.07 0.00 0.27 0.00 0.00 31.44 30.27 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 -0.28 -0.65 -0.47 4.31 0.00 -1.57 0.33 119.26 120.94 1wj6 h ALA 43 Ca 0.07 -0.02 0.04 0.00 0.00 0.00 0.00 54.91 55.00 1wj6 h ALA 43 Cb 0.17 0.84 -0.06 0.00 0.00 0.00 0.00 17.79 18.74 1wj6 h ALA 43 CO -0.39 -0.96 -0.28 -0.12 0.00 0.00 0.00 179.25 177.50 1wj6 n MET 44 N -5.44 -0.21 0.10 0.00 0.00 0.35 0.98 117.12 112.91 1wj6 n MET 44 Ca -0.04 1.11 -0.12 0.00 -0.00 0.00 0.00 57.70 58.65 1wj6 n MET 44 Cb 0.37 -1.65 -0.05 0.00 0.00 0.00 0.00 33.22 31.88 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 0.55 -0.14 1.12 2.07 -0.43 1.60 116.25 121.02 1wj6 h VAL 45 Ca 0.08 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.61 1wj6 h VAL 45 Cb 0.19 0.55 -0.02 0.00 -1.52 0.00 0.00 31.29 30.49 1wj6 h VAL 45 CO -0.45 0.00 -0.13 0.11 0.02 0.00 0.00 177.57 177.13 1wj6 h LYS 46 N -0.37 -0.05 -0.29 1.57 1.57 0.24 0.42 116.57 119.66 1wj6 h LYS 46 Ca 0.03 0.00 0.03 0.00 -1.87 0.00 0.00 60.65 58.85 1wj6 h LYS 46 Cb 0.40 0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.69 1wj6 h LYS 46 CO -0.12 -0.04 0.09 -0.39 -0.57 0.00 0.00 179.45 178.42 1wj6 h VAL 47 N -0.06 0.91 -0.98 0.50 -1.51 0.77 2.06 116.25 117.94 1wj6 h VAL 47 Ca 0.02 -0.07 0.34 0.00 -1.23 0.00 0.00 66.70 65.76 1wj6 h VAL 47 Cb 0.12 0.68 -0.17 0.00 -2.13 0.00 0.00 31.29 29.79 1wj6 h VAL 47 CO -0.16 0.04 0.40 -1.28 -1.23 0.00 0.00 177.57 175.34 1wj6 h SER 48 N 0.21 0.16 0.23 4.19 0.87 0.37 0.84 113.55 120.41 1wj6 h SER 48 Ca 0.13 0.24 0.00 0.00 -1.23 0.00 0.00 61.79 60.93 1wj6 h SER 48 Cb 0.11 0.28 0.00 0.00 -0.44 0.00 0.00 62.40 62.35 1wj6 h SER 48 CO -0.14 -0.31 -1.63 0.49 -0.53 0.00 0.00 176.83 174.70 1wj6 n PHE 49 N -5.25 0.21 -1.58 2.24 3.01 0.13 -5.00 117.46 111.21 1wj6 n PHE 49 Ca 0.31 0.06 0.00 0.00 1.01 0.00 0.00 57.45 58.83 1wj6 n PHE 49 Cb 1.03 -0.54 0.00 0.00 -0.01 0.00 0.00 39.48 39.96 1wj6 n PHE 49 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 1wj6 n ASP 50 N -2.24 -1.77 -4.39 4.37 2.03 0.65 -5.07 116.55 110.13 1wj6 n ASP 50 Ca -0.02 0.00 -0.26 0.00 0.52 0.00 0.00 54.79 55.03 1wj6 n ASP 50 Cb 0.53 -0.44 -0.12 0.00 -0.72 0.00 0.00 41.12 40.37 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 -2.13 2.41 -0.24 -2.67 1.43 0.14 -4.95 118.68 112.67 1wj6 s LEU 51 Ca 0.00 -0.84 -0.14 0.00 -1.03 0.00 0.00 54.13 52.13 1wj6 s LEU 51 Cb 0.00 -1.08 -0.16 0.00 0.03 0.00 0.00 46.19 44.97 1wj6 s LEU 51 CO 0.00 0.09 -0.08 0.59 0.23 0.00 0.00 176.35 177.18 1wj6 n ASN 52 N 0.42 1.95 -3.98 2.29 3.02 -1.26 -4.22 115.26 113.48 1wj6 n ASN 52 Ca -0.14 0.29 -0.28 0.00 -0.03 0.00 0.00 54.58 54.42 1wj6 n ASN 52 Cb 0.56 -0.82 -0.17 0.00 -0.61 0.00 0.00 39.78 38.74 1wj6 n ASN 52 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1wj6 s THR 53 N -2.47 1.31 0.17 3.41 -4.23 -1.26 -5.02 115.64 107.56 1wj6 s THR 53 Ca -0.33 -0.48 0.02 0.00 -1.18 0.00 0.00 61.69 59.71 1wj6 s THR 53 Cb 0.10 -1.26 -0.05 0.00 1.34 0.00 0.00 72.50 72.64 1wj6 s THR 53 CO 0.57 0.41 -0.00 0.27 -0.54 0.00 0.00 174.62 175.32 1wj6 s ILE 54 N 1.47 0.70 -0.41 2.99 -4.36 -1.26 -0.48 121.20 119.85 1wj6 s ILE 54 Ca 0.02 -1.98 0.10 0.00 -0.26 0.00 0.00 60.65 58.53 1wj6 s ILE 54 Cb -0.13 -2.09 0.33 0.00 1.25 0.00 0.00 42.46 41.81 1wj6 s ILE 54 CO -0.08 -0.50 0.72 1.67 0.24 0.00 0.00 174.94 176.99 1wj6 n GLN 55 N -0.23 1.24 -1.06 0.37 -0.06 0.52 -4.71 117.38 113.44 1wj6 n GLN 55 Ca -0.07 -3.57 -0.35 0.00 -2.00 0.00 0.00 57.00 51.01 1wj6 n GLN 55 Cb 0.63 -1.70 0.02 0.00 -4.06 0.00 0.00 30.24 25.13 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 0.45 0.00 -3.66 1.69 5.41 -1.26 -3.65 119.36 118.33 1wj6 n ILE 56 Ca 0.25 -0.47 -0.08 0.00 1.00 0.00 0.00 62.75 63.45 1wj6 n ILE 56 Cb 0.60 0.00 -0.09 0.00 -0.71 0.00 0.00 39.64 39.44 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 -1.40 0.36 0.03 0.38 1.02 0.66 -3.86 119.74 116.93 1wj6 s LYS 57 Ca 0.46 1.07 0.02 0.00 0.02 0.00 0.00 55.97 57.54 1wj6 s LYS 57 Cb -0.32 0.37 -0.04 0.00 -0.52 0.00 0.00 37.83 37.32 1wj6 s LYS 57 CO 0.70 -0.24 0.02 1.52 -0.92 0.00 0.00 175.35 176.43 1wj6 s TYR 58 N 2.56 3.10 -0.04 3.18 -0.85 0.34 0.19 117.35 125.82 1wj6 s TYR 58 Ca -0.03 0.07 -0.30 0.00 -0.52 0.00 0.00 57.07 56.30 1wj6 s TYR 58 Cb -0.12 -1.64 -0.02 0.00 0.38 0.00 0.00 41.96 40.55 1wj6 s TYR 58 CO -0.14 0.48 1.03 -0.51 -1.52 0.00 0.00 175.55 174.90 1wj6 s LEU 59 N -1.85 4.31 0.00 -3.49 1.43 -0.62 -0.14 118.68 118.32 1wj6 s LEU 59 Ca 0.23 1.65 0.00 0.00 -1.03 0.00 0.00 54.13 54.98 1wj6 s LEU 59 Cb -0.12 -3.56 0.00 0.00 0.03 0.00 0.00 46.19 42.54 1wj6 s LEU 59 CO 0.14 -0.39 0.00 -0.90 0.23 0.00 0.00 176.35 175.43 1wj6 n ASP 60 N 4.50 0.00 -0.62 2.29 5.75 -0.69 -4.78 116.55 123.00 1wj6 n ASP 60 Ca 0.08 0.00 0.03 0.00 -0.01 0.00 0.00 54.79 54.89 1wj6 n ASP 60 Cb 0.49 0.00 0.10 0.00 -1.03 0.00 0.00 41.12 40.68 1wj6 n ASP 60 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 1wj6 n GLU 61 N 0.00 1.76 0.00 0.11 1.02 -1.26 -2.97 120.64 119.30 1wj6 n GLU 61 Ca 0.00 -0.80 0.00 0.00 -0.02 0.00 0.00 57.16 56.34 1wj6 n GLU 61 Cb 0.00 -1.42 0.00 0.00 -0.02 0.00 0.00 31.44 30.00 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 0.13 -0.37 -0.97 3.49 1.02 -1.26 -4.97 120.64 117.71 1wj6 n GLU 62 Ca 0.07 -0.32 0.00 0.00 -0.02 0.00 0.00 57.16 56.89 1wj6 n GLU 62 Cb 0.34 -0.81 0.00 0.00 -0.02 0.00 0.00 31.44 30.95 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 -0.04 -2.44 -4.83 1.62 2.85 -1.16 -4.99 115.26 106.27 1wj6 n ASN 63 Ca 0.00 0.00 -0.34 0.00 -0.11 0.00 0.00 54.58 54.13 1wj6 n ASN 63 Cb 0.08 -0.90 -0.06 0.00 1.24 0.00 0.00 39.78 40.13 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 -0.33 4.09 0.13 1.20 0.41 -1.26 -4.76 118.70 118.17 1wj6 s GLU 64 Ca 0.00 0.70 -0.30 0.00 -0.41 0.00 0.00 54.97 54.96 1wj6 s GLU 64 Cb 0.00 -2.73 -0.07 0.00 -1.78 0.00 0.00 34.13 29.55 1wj6 s GLU 64 CO 0.00 0.33 1.20 -1.21 -0.49 0.00 0.00 175.26 175.09 1wj6 s GLU 65 N -2.36 4.46 -0.10 1.61 2.02 -1.26 -1.70 118.70 121.37 1wj6 s GLU 65 Ca 0.46 1.83 0.00 0.00 0.02 0.00 0.00 54.97 57.29 1wj6 s GLU 65 Cb -0.14 -3.29 0.02 0.00 0.10 0.00 0.00 34.13 30.83 1wj6 s GLU 65 CO 0.20 -0.17 -0.10 0.08 0.02 0.00 0.00 175.26 175.29 1wj6 s VAL 66 N 0.46 1.11 0.09 2.63 1.01 0.80 -4.90 120.40 121.60 1wj6 s VAL 66 Ca 0.56 -0.38 -0.25 0.00 0.00 0.00 0.00 61.98 61.91 1wj6 s VAL 66 Cb -0.31 -1.08 -0.06 0.00 0.00 0.00 0.00 36.38 34.92 1wj6 s VAL 66 CO 0.33 0.37 0.76 -0.94 0.00 0.00 0.00 175.10 175.62 1wj6 s SER 67 N 1.38 7.27 -0.37 3.32 1.04 -1.26 -0.51 113.70 124.56 1wj6 s SER 67 Ca -0.01 1.51 -0.12 0.00 0.48 0.00 0.00 55.95 57.81 1wj6 s SER 67 Cb -0.14 -2.47 0.02 0.00 0.10 0.00 0.00 66.02 63.53 1wj6 s SER 67 CO -0.05 0.09 0.22 -0.63 0.98 0.00 0.00 173.24 173.85 1wj6 s ILE 68 N -0.46 4.70 -0.19 -1.02 1.01 -1.25 -4.91 121.20 119.08 1wj6 s ILE 68 Ca 0.37 -0.78 0.13 0.00 0.00 0.00 0.00 60.65 60.37 1wj6 s ILE 68 Cb -0.21 -3.60 0.43 0.00 0.01 0.00 0.00 42.46 39.09 1wj6 s ILE 68 CO 0.24 -0.22 1.21 0.59 0.00 0.00 0.00 174.94 176.76 1wj6 n ASN 69 N 5.02 2.04 -3.61 3.58 3.02 -1.26 -4.89 115.26 119.16 1wj6 n ASN 69 Ca -0.12 -3.55 -0.04 0.00 -0.03 0.00 0.00 54.58 50.84 1wj6 n ASN 69 Cb 0.46 -0.47 -0.03 0.00 -0.61 0.00 0.00 39.78 39.14 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 -3.12 -0.11 0.09 6.41 0.15 -1.26 -5.01 113.70 110.85 1wj6 s SER 70 Ca 0.39 0.04 -0.25 0.00 0.70 0.00 0.00 55.95 56.82 1wj6 s SER 70 Cb 0.38 0.10 -0.14 0.00 -1.71 0.00 0.00 66.02 64.65 1wj6 s SER 70 CO -0.07 -0.15 1.70 -0.61 1.20 0.00 0.00 173.24 175.31 1wj6 h GLN 71 N 2.05 -0.25 -0.93 5.44 5.75 -1.97 -2.28 115.11 122.92 1wj6 h GLN 71 Ca -0.08 0.02 0.21 0.00 -0.15 0.00 0.00 58.65 58.65 1wj6 h GLN 71 Cb 1.16 0.06 -0.12 0.00 1.07 0.00 0.00 27.48 29.65 1wj6 h GLN 71 CO 0.22 -0.17 0.49 0.78 -2.65 0.00 0.00 178.83 177.51 1wj6 h GLY 72 N -0.26 1.66 1.00 2.39 0.00 -1.99 0.32 103.07 106.19 1wj6 h GLY 72 Ca -0.01 -0.25 0.00 0.00 0.00 0.00 0.00 47.33 47.07 1wj6 h GLY 72 CO 0.00 -0.19 0.39 0.83 0.00 0.00 0.00 176.54 177.57 1wj6 h GLU 73 N 0.54 0.83 -0.07 4.80 5.08 -1.82 -2.70 114.58 121.25 1wj6 h GLU 73 Ca 0.57 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.85 1wj6 h GLU 73 Cb 1.02 -0.18 -0.00 0.00 0.50 0.00 0.00 28.75 30.09 1wj6 h GLU 73 CO -0.46 0.58 -0.01 -0.92 -1.00 0.00 0.00 179.01 177.19 1wj6 h TYR 74 N 0.84 0.14 -0.45 4.33 3.20 -0.07 -2.87 116.97 122.09 1wj6 h TYR 74 Ca 0.22 -0.03 0.04 0.00 3.14 0.00 0.00 58.73 62.11 1wj6 h TYR 74 Cb -0.05 -0.04 -0.06 0.00 1.54 0.00 0.00 36.73 38.12 1wj6 h TYR 74 CO -0.02 0.45 -0.33 0.93 -1.64 0.00 0.00 178.16 177.54 1wj6 h GLU 75 N -0.20 -0.08 -0.37 1.82 5.08 -0.34 0.52 114.58 121.01 1wj6 h GLU 75 Ca 0.02 0.01 0.07 0.00 -1.00 0.00 0.00 59.36 58.45 1wj6 h GLU 75 Cb 0.40 0.02 -0.09 0.00 0.50 0.00 0.00 28.75 29.58 1wj6 h GLU 75 CO 0.01 -0.05 -0.39 0.93 -1.00 0.00 0.00 179.01 178.50 1wj6 h GLU 76 N -0.08 -0.31 -0.96 2.33 5.08 -1.55 0.42 114.58 119.51 1wj6 h GLU 76 Ca 0.07 0.02 0.24 0.00 -1.00 0.00 0.00 59.36 58.69 1wj6 h GLU 76 Cb 0.27 0.07 -0.12 0.00 0.50 0.00 0.00 28.75 29.47 1wj6 h GLU 76 CO -0.47 -0.21 0.52 0.00 -1.00 0.00 0.00 179.01 177.86 1wj6 h ALA 77 N 0.51 1.66 -0.27 3.43 0.00 -0.87 1.25 119.26 124.96 1wj6 h ALA 77 Ca 0.14 0.14 -0.09 0.00 0.00 0.00 0.00 54.91 55.10 1wj6 h ALA 77 Cb 0.57 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 1wj6 h ALA 77 CO -0.54 -0.29 -0.23 -0.07 0.00 0.00 0.00 179.25 178.11 1wj6 h LEU 78 N 0.52 0.51 -0.59 0.00 3.38 0.39 -0.12 115.31 119.41 1wj6 h LEU 78 Ca 0.61 -0.17 -0.11 0.00 0.09 0.00 0.00 57.88 58.30 1wj6 h LEU 78 Cb 1.16 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.76 1wj6 h LEU 78 CO -0.49 0.75 -0.09 0.11 0.09 0.00 0.00 178.44 178.80 1wj6 h LYS 79 N 0.45 1.03 -0.28 1.13 1.57 0.49 -2.84 116.57 118.12 1wj6 h LYS 79 Ca 0.07 -0.37 -0.14 0.00 -1.87 0.00 0.00 60.65 58.34 1wj6 h LYS 79 Cb 0.66 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.88 1wj6 h LYS 79 CO 0.05 1.06 -0.39 1.98 -0.57 0.00 0.00 179.45 181.58 1wj6 h MET 80 N 0.92 0.66 -0.89 3.15 4.05 -0.02 -2.85 114.93 119.97 1wj6 h MET 80 Ca 0.15 -0.33 0.12 0.00 -0.28 0.00 0.00 59.70 59.36 1wj6 h MET 80 Cb 0.65 0.00 -0.07 0.00 -0.80 0.00 0.00 31.60 31.39 1wj6 h MET 80 CO 0.05 0.94 0.57 0.00 0.23 0.00 0.00 176.91 178.69 1wj6 h ALA 81 N 1.03 1.75 -0.76 0.39 0.00 -0.79 0.13 119.26 121.00 1wj6 h ALA 81 Ca 0.05 0.01 0.02 0.00 0.00 0.00 0.00 54.91 54.98 1wj6 h ALA 81 Cb 0.91 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.50 1wj6 h ALA 81 CO 0.08 0.03 0.49 0.28 0.00 0.00 0.00 179.25 180.14 1wj6 h VAL 82 N 0.77 1.17 -0.27 0.00 2.07 -1.32 -0.25 116.25 118.41 1wj6 h VAL 82 Ca 0.43 -0.34 0.04 0.00 0.82 0.00 0.00 66.70 67.65 1wj6 h VAL 82 Cb 0.59 0.08 -0.04 0.00 -1.52 0.00 0.00 31.29 30.40 1wj6 h VAL 82 CO -0.19 0.18 0.03 0.11 0.02 0.00 0.00 177.57 177.72 1wj6 h LYS 83 N 1.00 0.12 0.00 1.57 1.57 -0.78 -3.15 116.57 116.89 1wj6 h LYS 83 Ca 0.29 -0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 59.06 1wj6 h LYS 83 Cb -0.07 -0.03 -0.00 0.00 0.08 0.00 0.00 32.23 32.21 1wj6 h LYS 83 CO -0.08 0.08 -0.00 1.96 -0.57 0.00 0.00 179.45 180.84 1wj6 h GLN 84 N 0.13 -0.00 0.00 3.15 4.20 -0.83 -3.46 115.11 118.30 1wj6 h GLN 84 Ca 0.13 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.84 1wj6 h GLN 84 Cb 0.15 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.93 1wj6 h GLN 84 CO -0.19 -0.00 0.00 0.41 -0.67 0.00 0.00 178.83 178.38 1wj6 n GLY 85 N -1.00 0.00 2.24 3.46 0.00 -0.43 -4.94 105.19 104.52 1wj6 n GLY 85 Ca -0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 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 -3.59 -3.93 1.61 4.13 -0.24 -4.90 115.26 108.35 1wj6 n ASN 86 Ca 0.00 -0.04 -0.09 0.00 1.68 0.00 0.00 54.58 56.14 1wj6 n ASN 86 Cb 0.00 -2.77 -0.09 0.00 -1.54 0.00 0.00 39.78 35.38 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 -4.64 0.67 -0.04 3.52 1.03 -1.08 0.20 119.66 119.33 1wj6 s GLN 87 Ca 0.03 -0.87 -0.03 0.00 0.04 0.00 0.00 55.36 54.53 1wj6 s GLN 87 Cb -0.01 0.26 0.02 0.00 0.03 0.00 0.00 33.01 33.31 1wj6 s GLN 87 CO 0.03 -0.18 0.09 -1.17 -2.54 0.00 0.00 175.29 171.53 1wj6 s LEU 88 N -2.45 1.46 -0.57 2.60 2.96 0.15 -4.27 118.68 118.56 1wj6 s LEU 88 Ca -0.00 0.18 -0.20 0.00 -0.22 0.00 0.00 54.13 53.90 1wj6 s LEU 88 Cb 0.02 0.28 0.08 0.00 0.50 0.00 0.00 46.19 47.07 1wj6 s LEU 88 CO -0.07 -0.06 0.72 -1.10 -1.32 0.00 0.00 176.35 174.51 1wj6 s GLN 89 N 0.33 3.08 0.05 1.98 -1.52 -1.26 0.26 119.66 122.57 1wj6 s GLN 89 Ca -0.02 -1.10 0.03 0.00 -1.95 0.00 0.00 55.36 52.31 1wj6 s GLN 89 Cb -0.04 -4.20 -0.04 0.00 -0.22 0.00 0.00 33.01 28.51 1wj6 s GLN 89 CO -0.01 -1.47 0.01 -1.64 -0.25 0.00 0.00 175.29 171.93 1wj6 s MET 90 N 2.86 2.72 -0.14 2.91 -1.94 0.52 -1.59 119.30 124.63 1wj6 s MET 90 Ca 0.14 -0.71 -0.00 0.00 -1.71 0.00 0.00 55.69 53.41 1wj6 s MET 90 Cb -0.22 -2.63 0.03 0.00 2.01 0.00 0.00 34.83 34.02 1wj6 s MET 90 CO 0.09 0.58 -0.10 -0.65 -0.01 0.00 0.00 175.02 174.93 1wj6 s GLN 91 N -1.98 1.82 0.26 2.03 -0.21 0.49 0.04 119.66 122.11 1wj6 s GLN 91 Ca 0.24 -0.44 -0.29 0.00 0.02 0.00 0.00 55.36 54.88 1wj6 s GLN 91 Cb -0.12 -1.89 -0.09 0.00 1.00 0.00 0.00 33.01 31.91 1wj6 s GLN 91 CO 0.15 -0.29 1.20 0.08 -2.12 0.00 0.00 175.29 174.31 1wj6 s VAL 92 N 1.60 3.27 -0.33 1.09 1.01 -1.03 -0.25 120.40 125.77 1wj6 s VAL 92 Ca 0.04 1.20 -0.01 0.00 0.00 0.00 0.00 61.98 63.20 1wj6 s VAL 92 Cb -0.13 -3.76 0.11 0.00 0.00 0.00 0.00 36.38 32.60 1wj6 s VAL 92 CO -0.09 0.25 0.16 -1.00 0.00 0.00 0.00 175.10 174.42 1wj6 s HIS 93 N -0.74 0.96 0.45 5.22 3.76 -1.24 -4.42 115.29 119.27 1wj6 s HIS 93 Ca 0.49 -1.46 -0.23 0.00 -0.15 0.00 0.00 55.06 53.71 1wj6 s HIS 93 Cb -0.35 -1.22 -0.10 0.00 1.11 0.00 0.00 32.58 32.02 1wj6 s HIS 93 CO 0.43 -0.84 0.83 0.39 -0.85 0.00 0.00 174.74 174.70 1wj6 n GLU 94 N 4.64 0.99 0.00 1.40 -0.58 -1.26 0.19 120.64 126.02 1wj6 n GLU 94 Ca 0.01 0.36 0.00 0.00 -0.42 0.00 0.00 57.16 57.12 1wj6 n GLU 94 Cb 0.40 -1.86 0.00 0.00 -0.57 0.00 0.00 31.44 29.41 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 1.43 2.40 0.00 0.62 0.00 0.37 -4.70 105.19 105.30 1wj6 n GLY 95 Ca 0.11 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1wj6 n GLY 95 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1wj6 n SER 96 N 0.00 0.00 -3.26 1.61 3.41 -1.26 -4.92 113.62 109.20 1wj6 n SER 96 Ca 0.00 0.00 -0.20 0.00 -0.26 0.00 0.00 58.87 58.41 1wj6 n SER 96 Cb 0.00 0.00 0.02 0.00 -0.26 0.00 0.00 64.21 63.97 1wj6 n SER 96 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wj6 n GLY 97 N -0.43 -0.47 0.11 5.00 0.00 -1.26 -4.87 105.19 103.27 1wj6 n GLY 97 Ca 0.00 0.76 -0.03 0.00 0.00 0.00 0.00 46.02 46.75 1wj6 n GLY 97 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wj6 h PRO 98 N 2.63 0.00 -2.41 1.61 0.13 -1.98 -3.49 132.00 128.48 1wj6 h PRO 98 Ca -0.27 0.00 0.29 0.00 -0.87 0.00 0.00 66.00 65.15 1wj6 h PRO 98 Cb 1.11 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 32.16 1wj6 h PRO 98 CO 0.14 0.74 -0.42 0.45 -0.23 0.00 0.00 178.00 178.69 1wj6 n SER 99 N -3.64 -6.33 -3.15 1.44 2.88 -1.26 -4.93 113.62 98.62 1wj6 n SER 99 Ca -0.01 0.46 0.05 0.00 -1.33 0.00 0.00 58.87 58.04 1wj6 n SER 99 Cb 0.72 -3.41 -0.00 0.00 -0.75 0.00 0.00 64.21 60.77 1wj6 n SER 99 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1wj6 s SER 100 N -5.59 -0.95 0.00 -3.46 0.15 -1.26 -5.26 113.70 97.34 1wj6 s SER 100 Ca 0.00 0.19 0.00 0.00 0.70 0.00 0.00 55.95 56.84 1wj6 s SER 100 Cb 0.00 1.63 0.00 0.00 -1.71 0.00 0.00 66.02 65.94 1wj6 s SER 100 CO 0.00 -0.17 0.12 0.61 1.20 0.00 0.00 173.24 174.99