#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 -0.95 -0.06 1.61 0.15 -1.26 -5.16 113.70 108.03 1wj6 s SER 2 Ca 0.00 -0.59 -0.29 0.00 0.70 0.00 0.00 55.95 55.77 1wj6 s SER 2 Cb 0.00 1.22 0.11 0.00 -1.71 0.00 0.00 66.02 65.64 1wj6 s SER 2 CO 0.00 -0.09 0.91 -0.55 1.20 0.00 0.00 173.24 174.71 1wj6 s SER 3 N 1.74 -0.38 0.00 5.45 0.15 -1.26 -5.18 113.70 114.22 1wj6 s SER 3 Ca 0.17 0.17 0.00 0.00 0.70 0.00 0.00 55.95 57.00 1wj6 s SER 3 Cb 0.01 0.37 0.00 0.00 -1.71 0.00 0.00 66.02 64.68 1wj6 s SER 3 CO -0.10 -0.53 0.00 0.61 1.20 0.00 0.00 173.24 174.42 1wj6 n GLY 4 N 0.14 -1.90 3.55 9.45 0.00 -1.26 -4.83 105.19 110.35 1wj6 n GLY 4 Ca -0.10 -1.42 -0.36 0.00 0.00 0.00 0.00 46.02 44.14 1wj6 n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wj6 s SER 5 N -1.45 5.23 -0.30 1.61 0.15 -1.26 -4.85 113.70 112.83 1wj6 s SER 5 Ca 0.00 0.15 -0.10 0.00 0.70 0.00 0.00 55.95 56.70 1wj6 s SER 5 Cb 0.00 -2.53 0.16 0.00 -1.71 0.00 0.00 66.02 61.94 1wj6 s SER 5 CO 0.00 -2.45 0.82 -0.94 1.20 0.00 0.00 173.24 171.86 1wj6 s SER 6 N 8.13 -0.90 0.00 5.45 1.04 -1.26 -5.12 113.70 121.04 1wj6 s SER 6 Ca 0.68 0.95 0.00 0.00 0.48 0.00 0.00 55.95 58.06 1wj6 s SER 6 Cb -0.12 1.91 0.00 0.00 0.10 0.00 0.00 66.02 67.92 1wj6 s SER 6 CO 0.17 -0.17 0.00 0.61 0.98 0.00 0.00 173.24 174.83 1wj6 n GLY 7 N 5.29 0.91 3.62 7.32 0.00 -1.26 -4.91 105.19 116.16 1wj6 n GLY 7 Ca -0.08 -1.56 -0.43 0.00 0.00 0.00 0.00 46.02 43.95 1wj6 n GLY 7 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wj6 s PRO 8 N 0.00 3.84 1.06 1.61 0.04 -1.26 -4.99 135.00 135.30 1wj6 s PRO 8 Ca 0.00 1.23 -0.22 0.00 0.04 0.00 0.00 61.00 62.05 1wj6 s PRO 8 Cb 0.00 -3.92 -0.02 0.00 0.04 0.00 0.00 34.50 30.60 1wj6 s PRO 8 CO 0.00 -1.22 -0.65 -2.39 0.04 0.00 0.00 177.00 172.77 1wj6 n HIS 9 N 7.94 -1.39 0.09 0.56 1.44 -1.26 -4.91 115.22 117.68 1wj6 n HIS 9 Ca 0.15 0.37 0.00 0.00 -2.01 0.00 0.00 57.72 56.23 1wj6 n HIS 9 Cb 0.47 -1.47 0.00 0.00 0.12 0.00 0.00 29.99 29.11 1wj6 n HIS 9 CO 0.00 0.00 0.00 0.43 -2.81 0.00 0.00 176.34 173.96 1wj6 n SER 10 N 0.58 -1.53 -4.43 4.39 7.64 -1.26 -5.14 113.62 113.88 1wj6 n SER 10 Ca -0.00 0.55 -0.38 0.00 1.01 0.00 0.00 58.87 60.05 1wj6 n SER 10 Cb 0.66 1.68 0.04 0.00 -1.01 0.00 0.00 64.21 65.58 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 -3.01 0.40 0.00 1.43 2.81 -1.26 -4.99 117.12 112.50 1wj6 n MET 11 Ca 0.00 0.16 0.00 0.00 -1.81 0.00 0.00 57.70 56.05 1wj6 n MET 11 Cb 0.00 -1.60 0.00 0.00 -0.71 0.00 0.00 33.22 30.91 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 0.13 0.00 -0.00 0.03 2.13 -1.26 -5.05 120.64 116.62 1wj6 n GLU 12 Ca 0.11 0.00 -0.17 0.00 0.66 0.00 0.00 57.16 57.75 1wj6 n GLU 12 Cb 0.48 0.00 -0.10 0.00 0.27 0.00 0.00 31.44 32.09 1wj6 n GLU 12 CO 0.00 0.00 0.00 -1.00 -0.41 0.00 0.00 177.13 175.72 1wj6 h PRO 13 N 0.00 0.48 -4.39 5.31 0.13 -1.88 -3.44 132.00 128.21 1wj6 h PRO 13 Ca 0.00 -0.47 -0.45 0.00 -0.87 0.00 0.00 66.00 64.22 1wj6 h PRO 13 Cb 0.00 0.12 -0.08 0.00 0.13 0.00 0.00 31.00 31.18 1wj6 h PRO 13 CO 0.00 1.11 1.51 1.04 -0.23 0.00 0.00 178.00 181.43 1wj6 n GLN 14 N -4.18 0.00 -4.05 0.86 6.02 -1.15 -4.64 117.38 110.23 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 0.67 -1.30 -0.06 0.00 1.02 0.00 0.00 30.24 30.56 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 7.67 4.88 -0.45 5.09 1.01 -0.62 -4.80 120.40 133.17 1wj6 s VAL 15 Ca 1.17 -0.39 -0.16 0.00 0.00 0.00 0.00 61.98 62.60 1wj6 s VAL 15 Cb -1.10 -3.26 0.05 0.00 0.00 0.00 0.00 36.38 32.07 1wj6 s VAL 15 CO 0.43 0.32 0.40 -0.89 0.00 0.00 0.00 175.10 175.36 1wj6 s THR 16 N -1.25 5.19 -0.62 3.92 2.01 0.52 -0.91 115.64 124.49 1wj6 s THR 16 Ca 0.25 -0.82 -0.20 0.00 0.31 0.00 0.00 61.69 61.23 1wj6 s THR 16 Cb -0.12 -4.08 0.09 0.00 0.01 0.00 0.00 72.50 68.40 1wj6 s THR 16 CO 0.16 -0.51 0.81 -0.76 -0.69 0.00 0.00 174.62 173.64 1wj6 s LEU 17 N 1.81 4.99 -0.61 4.42 1.43 -0.54 0.88 118.68 131.06 1wj6 s LEU 17 Ca 0.06 -1.27 -0.24 0.00 -1.03 0.00 0.00 54.13 51.66 1wj6 s LEU 17 Cb -0.21 -2.35 0.05 0.00 0.03 0.00 0.00 46.19 43.71 1wj6 s LEU 17 CO 0.09 -1.25 0.97 0.20 0.23 0.00 0.00 176.35 176.59 1wj6 s ASN 18 N 3.65 6.26 -0.21 2.29 0.01 0.12 -0.89 114.94 126.18 1wj6 s ASN 18 Ca 0.16 -0.62 -0.14 0.00 -0.71 0.00 0.00 52.86 51.55 1wj6 s ASN 18 Cb -0.21 -2.44 -0.04 0.00 0.41 0.00 0.00 41.25 38.97 1wj6 s ASN 18 CO 0.08 -1.35 0.30 -0.69 -1.51 0.00 0.00 177.10 173.93 1wj6 s VAL 19 N 4.10 5.27 -0.40 1.60 1.01 0.51 0.16 120.40 132.65 1wj6 s VAL 19 Ca 0.27 0.50 0.03 0.00 0.00 0.00 0.00 61.98 62.78 1wj6 s VAL 19 Cb -0.14 -3.64 0.11 0.00 0.00 0.00 0.00 36.38 32.71 1wj6 s VAL 19 CO 0.15 0.30 0.13 -0.89 0.00 0.00 0.00 175.10 174.80 1wj6 s THR 20 N 1.10 2.56 -0.53 3.92 2.01 0.12 0.47 115.64 125.29 1wj6 s THR 20 Ca 0.15 -2.54 -0.18 0.00 0.31 0.00 0.00 61.69 59.43 1wj6 s THR 20 Cb -0.14 -2.83 0.08 0.00 0.01 0.00 0.00 72.50 69.62 1wj6 s THR 20 CO 0.06 -0.67 0.59 0.12 -0.69 0.00 0.00 174.62 174.03 1wj6 s PHE 21 N 0.64 3.10 0.00 4.92 5.36 0.13 -2.76 117.98 129.37 1wj6 s PHE 21 Ca 0.12 -0.84 0.00 0.00 -0.96 0.00 0.00 56.93 55.25 1wj6 s PHE 21 Cb -0.21 -3.64 0.00 0.00 -0.34 0.00 0.00 43.02 38.83 1wj6 s PHE 21 CO -0.06 -1.06 0.00 1.63 -1.46 0.00 0.00 175.22 174.27 1wj6 n LYS 22 N 5.91 0.00 0.00 10.12 5.02 -1.26 0.03 118.16 137.98 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 0.43 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.44 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 5.54 0.61 -4.83 4.39 2.85 -1.26 -5.02 115.26 117.53 1wj6 n ASN 23 Ca 0.00 -0.81 -0.36 0.00 -0.11 0.00 0.00 54.58 53.31 1wj6 n ASN 23 Cb 0.00 0.39 -0.06 0.00 1.24 0.00 0.00 39.78 41.35 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 -0.39 4.06 -0.02 1.20 2.02 0.10 -5.08 118.70 120.59 1wj6 s GLU 24 Ca 0.00 0.59 0.03 0.00 0.02 0.00 0.00 54.97 55.62 1wj6 s GLU 24 Cb 0.00 -2.94 -0.00 0.00 0.10 0.00 0.00 34.13 31.28 1wj6 s GLU 24 CO 0.00 0.47 -0.12 0.42 0.02 0.00 0.00 175.26 176.06 1wj6 s ILE 25 N -1.45 0.95 0.17 -1.63 1.01 -1.26 0.21 121.20 119.20 1wj6 s ILE 25 Ca 0.38 -0.48 -0.04 0.00 0.00 0.00 0.00 60.65 60.51 1wj6 s ILE 25 Cb -0.16 -0.82 -0.03 0.00 0.01 0.00 0.00 42.46 41.47 1wj6 s ILE 25 CO 0.19 0.28 0.17 -1.10 0.00 0.00 0.00 174.94 174.48 1wj6 s GLN 26 N -0.06 1.12 -0.04 2.79 -0.21 0.18 -4.98 119.66 118.46 1wj6 s GLN 26 Ca 0.01 -1.43 -0.01 0.00 0.02 0.00 0.00 55.36 53.94 1wj6 s GLN 26 Cb -0.07 0.30 0.03 0.00 1.00 0.00 0.00 33.01 34.27 1wj6 s GLN 26 CO 0.00 -0.37 0.07 0.45 -2.12 0.00 0.00 175.29 173.32 1wj6 s SER 27 N -3.07 0.38 -0.23 5.90 0.15 -1.25 -0.37 113.70 115.21 1wj6 s SER 27 Ca 0.28 0.12 0.02 0.00 0.70 0.00 0.00 55.95 57.07 1wj6 s SER 27 Cb 0.06 -0.01 0.05 0.00 -1.71 0.00 0.00 66.02 64.41 1wj6 s SER 27 CO 0.06 -0.18 -0.12 -0.36 1.20 0.00 0.00 173.24 173.84 1wj6 s PHE 28 N 1.49 2.93 0.21 3.44 0.08 -0.06 -4.90 117.98 121.17 1wj6 s PHE 28 Ca -0.04 -2.01 -0.30 0.00 0.12 0.00 0.00 56.93 54.70 1wj6 s PHE 28 Cb -0.12 -1.84 -0.08 0.00 -0.57 0.00 0.00 43.02 40.41 1wj6 s PHE 28 CO -0.04 -0.83 1.04 -1.17 -0.10 0.00 0.00 175.22 174.12 1wj6 s LEU 29 N 1.22 4.55 -0.40 -0.37 2.96 -1.25 -1.47 118.68 123.91 1wj6 s LEU 29 Ca -0.05 2.06 0.02 0.00 -0.22 0.00 0.00 54.13 55.94 1wj6 s LEU 29 Cb -0.18 -3.61 0.12 0.00 0.50 0.00 0.00 46.19 43.02 1wj6 s LEU 29 CO -0.07 -0.08 0.18 -0.69 -1.32 0.00 0.00 176.35 174.36 1wj6 s VAL 30 N -0.69 1.59 -0.93 1.68 1.01 -0.09 -4.90 120.40 118.08 1wj6 s VAL 30 Ca 0.46 -2.35 0.14 0.00 0.00 0.00 0.00 61.98 60.22 1wj6 s VAL 30 Cb -0.28 -2.14 0.12 0.00 0.00 0.00 0.00 36.38 34.07 1wj6 s VAL 30 CO 0.35 -0.78 1.43 -0.24 0.00 0.00 0.00 175.10 175.87 1wj6 n SER 31 N 3.92 0.08 -3.11 3.32 2.88 -1.26 -1.59 113.62 117.86 1wj6 n SER 31 Ca 0.05 0.52 -0.20 0.00 -1.33 0.00 0.00 58.87 57.91 1wj6 n SER 31 Cb 0.37 -0.54 -0.05 0.00 -0.75 0.00 0.00 64.21 63.25 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 -1.59 -0.74 0.09 -3.46 8.00 -1.26 -4.18 116.55 113.41 1wj6 n ASP 32 Ca 0.03 -2.79 0.12 0.00 0.71 0.00 0.00 54.79 52.86 1wj6 n ASP 32 Cb 0.15 0.00 0.45 0.00 -0.02 0.00 0.00 41.12 41.71 1wj6 n ASP 32 CO 0.00 0.00 0.00 -0.81 -0.39 0.00 0.00 177.20 176.00 1wj6 n PRO 33 N 1.73 0.17 -0.04 -0.24 -0.04 -1.23 -0.84 135.00 134.51 1wj6 n PRO 33 Ca 0.20 0.26 -0.09 0.00 -0.04 0.00 0.00 63.50 63.84 1wj6 n PRO 33 Cb 0.55 -1.75 -0.14 0.00 -0.04 0.00 0.00 33.50 32.12 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 -2.04 0.64 -0.06 0.54 -0.58 -1.26 -4.48 120.64 113.40 1wj6 n GLU 34 Ca 0.04 0.23 -0.04 0.00 -0.42 0.00 0.00 57.16 56.97 1wj6 n GLU 34 Cb 0.31 -1.73 -0.02 0.00 -0.57 0.00 0.00 31.44 29.43 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 -2.77 1.62 -1.24 -1.92 -3.47 115.58 107.80 1wj6 h ASN 35 Ca -0.34 -0.10 -0.53 0.00 0.71 0.00 0.00 56.30 56.04 1wj6 h ASN 35 Cb 2.05 0.00 0.23 0.00 0.73 0.00 0.00 38.32 41.33 1wj6 h ASN 35 CO 0.07 0.68 -1.11 1.07 -1.29 0.00 0.00 177.43 176.85 1wj6 n THR 36 N -4.69 0.00 -4.23 -3.57 5.66 -0.02 -4.99 114.28 102.44 1wj6 n THR 36 Ca -0.05 -0.28 -0.30 0.00 -3.05 0.00 0.00 64.05 60.37 1wj6 n THR 36 Cb 0.17 -0.41 -0.09 0.00 -1.55 0.00 0.00 70.33 68.44 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 -2.25 3.66 0.37 1.09 -4.23 -1.26 -4.90 115.64 108.11 1wj6 s THR 37 Ca 0.51 -1.08 0.12 0.00 -1.18 0.00 0.00 61.69 60.06 1wj6 s THR 37 Cb -0.18 -2.70 0.34 0.00 1.34 0.00 0.00 72.50 71.31 1wj6 s THR 37 CO 0.72 0.16 1.83 -0.25 -0.54 0.00 0.00 174.62 176.54 1wj6 h TRP 38 N 3.70 0.77 -0.83 3.99 -0.00 -1.91 0.59 115.95 122.26 1wj6 h TRP 38 Ca -0.48 0.02 -0.01 0.00 -0.00 0.00 0.00 58.89 58.42 1wj6 h TRP 38 Cb 1.17 -0.24 -0.04 0.00 -0.00 0.00 0.00 29.16 30.05 1wj6 h TRP 38 CO 0.60 0.20 0.49 0.00 -0.00 0.00 0.00 178.44 179.74 1wj6 h ALA 39 N 1.62 1.05 0.00 2.65 0.00 -1.94 0.32 119.26 122.96 1wj6 h ALA 39 Ca 0.51 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 55.32 1wj6 h ALA 39 Cb 1.02 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 18.47 1wj6 h ALA 39 CO -0.25 0.52 -0.01 -0.44 0.00 0.00 0.00 179.25 179.07 1wj6 h ASP 40 N 1.14 0.00 0.00 0.00 5.19 -0.22 -1.33 116.42 121.19 1wj6 h ASP 40 Ca 0.30 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.71 1wj6 h ASP 40 Cb -0.03 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.48 1wj6 h ASP 40 CO -0.05 0.01 -0.31 0.40 -3.12 0.00 0.00 179.24 176.16 1wj6 h ILE 41 N 0.00 0.00 -0.99 0.35 1.08 -0.31 -3.08 117.51 114.56 1wj6 h ILE 41 Ca -0.00 -0.82 0.17 0.00 -0.39 0.00 0.00 64.86 63.82 1wj6 h ILE 41 Cb 0.06 0.00 -0.17 0.00 -3.07 0.00 0.00 36.82 33.64 1wj6 h ILE 41 CO 0.00 0.00 -0.32 1.21 -0.69 0.00 0.00 178.15 178.35 1wj6 n GLU 42 N -4.21 -0.17 0.08 2.37 2.13 0.88 0.68 120.64 122.39 1wj6 n GLU 42 Ca -0.04 1.54 -0.12 0.00 0.66 0.00 0.00 57.16 59.19 1wj6 n GLU 42 Cb 0.16 -2.29 -0.07 0.00 0.27 0.00 0.00 31.44 29.52 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 1.65 -0.12 -0.01 4.31 0.00 -1.43 0.14 119.26 123.79 1wj6 h ALA 43 Ca 0.40 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.30 1wj6 h ALA 43 Cb 0.65 0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.52 1wj6 h ALA 43 CO -1.00 -0.57 -0.02 1.98 0.00 0.00 0.00 179.25 179.64 1wj6 h MET 44 N -0.14 -0.01 -0.91 0.00 -1.53 0.35 0.77 114.93 113.46 1wj6 h MET 44 Ca 0.00 0.00 0.17 0.00 -3.44 0.00 0.00 59.70 56.43 1wj6 h MET 44 Cb 0.13 0.00 -0.07 0.00 -0.55 0.00 0.00 31.60 31.11 1wj6 h MET 44 CO -0.01 -0.01 0.59 0.28 0.14 0.00 0.00 176.91 177.90 1wj6 h VAL 45 N -0.01 0.77 0.00 -5.77 2.07 -1.08 0.82 116.25 113.05 1wj6 h VAL 45 Ca 0.00 -0.21 0.00 0.00 0.82 0.00 0.00 66.70 67.31 1wj6 h VAL 45 Cb 0.02 0.10 0.00 0.00 -1.52 0.00 0.00 31.29 29.89 1wj6 h VAL 45 CO -0.02 0.11 0.00 0.29 0.02 0.00 0.00 177.57 177.97 1wj6 n LYS 46 N -4.57 0.00 -0.27 1.57 5.02 0.47 -0.11 118.16 120.27 1wj6 n LYS 46 Ca 0.19 0.56 0.03 0.00 -2.02 0.00 0.00 58.31 57.07 1wj6 n LYS 46 Cb 0.56 -1.47 0.16 0.00 -0.02 0.00 0.00 35.03 34.26 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 0.84 -0.94 -0.18 -1.51 0.85 1.99 116.25 117.29 1wj6 h VAL 47 Ca 0.00 -0.22 0.20 0.00 -1.23 0.00 0.00 66.70 65.45 1wj6 h VAL 47 Cb 0.00 0.13 -0.08 0.00 -2.13 0.00 0.00 31.29 29.21 1wj6 h VAL 47 CO 0.00 0.12 0.61 0.28 -1.23 0.00 0.00 177.57 177.35 1wj6 h SER 48 N 0.65 0.52 -0.27 4.19 0.02 0.84 0.20 113.55 119.70 1wj6 h SER 48 Ca 0.38 0.06 0.00 0.00 -0.84 0.00 0.00 61.79 61.39 1wj6 h SER 48 Cb 0.42 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 62.92 1wj6 h SER 48 CO -0.28 0.20 0.00 0.49 -1.14 0.00 0.00 176.83 176.10 1wj6 n PHE 49 N -4.58 0.52 -3.28 3.45 3.72 0.84 -5.02 117.46 113.10 1wj6 n PHE 49 Ca 0.21 -0.62 -0.27 0.00 -0.05 0.00 0.00 57.45 56.72 1wj6 n PHE 49 Cb 0.67 -0.11 0.03 0.00 -0.94 0.00 0.00 39.48 39.13 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 0.06 -6.33 -3.82 4.37 -0.08 0.64 -5.00 116.55 106.40 1wj6 n ASP 50 Ca 0.13 0.11 -0.12 0.00 -1.51 0.00 0.00 54.79 53.40 1wj6 n ASP 50 Cb 0.54 -2.81 -0.13 0.00 2.34 0.00 0.00 41.12 41.06 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 -2.39 1.44 -0.10 -2.67 1.43 -0.38 -4.95 118.68 111.05 1wj6 s LEU 51 Ca 0.32 0.25 -0.24 0.00 -1.03 0.00 0.00 54.13 53.43 1wj6 s LEU 51 Cb -0.05 0.42 -0.28 0.00 0.03 0.00 0.00 46.19 46.31 1wj6 s LEU 51 CO 0.79 -0.05 0.75 0.78 0.23 0.00 0.00 176.35 178.85 1wj6 h ASN 52 N 6.09 0.24 -3.54 2.29 2.35 -1.95 -3.40 115.58 117.67 1wj6 h ASN 52 Ca -0.27 -0.93 -0.36 0.00 -0.55 0.00 0.00 56.30 54.19 1wj6 h ASN 52 Cb 1.19 -0.08 -0.33 0.00 0.05 0.00 0.00 38.32 39.16 1wj6 h ASN 52 CO 0.43 1.27 -0.76 0.42 -1.65 0.00 0.00 177.43 177.15 1wj6 s THR 53 N -2.35 0.35 0.30 2.81 -4.23 -1.26 -5.10 115.64 106.16 1wj6 s THR 53 Ca -0.18 -0.04 0.03 0.00 -1.18 0.00 0.00 61.69 60.33 1wj6 s THR 53 Cb 0.00 -0.39 -0.04 0.00 1.34 0.00 0.00 72.50 73.41 1wj6 s THR 53 CO 0.75 0.17 0.17 0.27 -0.54 0.00 0.00 174.62 175.44 1wj6 s ILE 54 N 0.80 0.27 -0.39 2.99 -4.36 -1.26 -1.62 121.20 117.63 1wj6 s ILE 54 Ca -0.09 -2.00 0.10 0.00 -0.26 0.00 0.00 60.65 58.40 1wj6 s ILE 54 Cb -0.12 -2.51 0.30 0.00 1.25 0.00 0.00 42.46 41.38 1wj6 s ILE 54 CO -0.01 0.00 0.67 1.67 0.24 0.00 0.00 174.94 177.51 1wj6 n GLN 55 N -0.57 0.85 -1.23 0.37 -0.06 0.47 -4.55 117.38 112.66 1wj6 n GLN 55 Ca 0.02 -3.15 -0.38 0.00 -2.00 0.00 0.00 57.00 51.48 1wj6 n GLN 55 Cb 0.65 -1.45 0.03 0.00 -4.06 0.00 0.00 30.24 25.40 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 0.83 0.54 -3.66 1.69 5.41 -1.26 -3.28 119.36 119.63 1wj6 n ILE 56 Ca 0.22 -0.48 -0.08 0.00 1.00 0.00 0.00 62.75 63.40 1wj6 n ILE 56 Cb 0.61 -0.19 -0.09 0.00 -0.71 0.00 0.00 39.64 39.25 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 -1.57 0.34 -0.03 0.38 1.02 0.13 -3.82 119.74 116.19 1wj6 s LYS 57 Ca 0.57 1.05 0.01 0.00 0.02 0.00 0.00 55.97 57.62 1wj6 s LYS 57 Cb -0.42 0.34 -0.03 0.00 -0.52 0.00 0.00 37.83 37.20 1wj6 s LYS 57 CO 0.66 -0.24 -0.03 1.52 -0.92 0.00 0.00 175.35 176.34 1wj6 s TYR 58 N 2.56 3.01 -0.04 3.18 -0.85 0.16 0.19 117.35 125.57 1wj6 s TYR 58 Ca -0.02 0.06 -0.30 0.00 -0.52 0.00 0.00 57.07 56.29 1wj6 s TYR 58 Cb -0.12 -1.69 -0.03 0.00 0.38 0.00 0.00 41.96 40.51 1wj6 s TYR 58 CO -0.13 0.41 1.10 -0.51 -1.52 0.00 0.00 175.55 174.90 1wj6 s LEU 59 N -1.22 4.30 0.00 -3.49 1.43 -0.77 0.19 118.68 119.12 1wj6 s LEU 59 Ca 0.16 1.73 0.00 0.00 -1.03 0.00 0.00 54.13 54.99 1wj6 s LEU 59 Cb -0.11 -3.56 0.00 0.00 0.03 0.00 0.00 46.19 42.54 1wj6 s LEU 59 CO 0.06 -0.46 0.00 -0.67 0.23 0.00 0.00 176.35 175.51 1wj6 n ASP 60 N 4.69 0.00 -0.58 2.29 -0.08 -0.71 -4.76 116.55 117.41 1wj6 n ASP 60 Ca 0.09 0.00 0.03 0.00 -1.51 0.00 0.00 54.79 53.40 1wj6 n ASP 60 Cb 0.48 0.00 0.11 0.00 2.34 0.00 0.00 41.12 44.05 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 1.73 0.00 -0.67 1.02 -1.26 -3.02 120.64 118.43 1wj6 n GLU 61 Ca 0.00 -0.85 0.00 0.00 -0.02 0.00 0.00 57.16 56.29 1wj6 n GLU 61 Cb 0.00 -1.36 0.00 0.00 -0.02 0.00 0.00 31.44 30.06 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 0.42 -1.54 3.49 -0.58 -1.26 -4.97 120.64 116.35 1wj6 n GLU 62 Ca 0.08 -0.73 -0.10 0.00 -0.42 0.00 0.00 57.16 55.98 1wj6 n GLU 62 Cb 0.30 -0.89 -0.03 0.00 -0.57 0.00 0.00 31.44 30.25 1wj6 n GLU 62 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 1wj6 n ASN 63 N -0.15 -4.03 -4.54 1.62 3.02 -1.17 -4.99 115.26 105.02 1wj6 n ASN 63 Ca 0.00 0.18 -0.34 0.00 -0.03 0.00 0.00 54.58 54.39 1wj6 n ASN 63 Cb 0.15 -2.67 -0.11 0.00 -0.61 0.00 0.00 39.78 36.54 1wj6 n ASN 63 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 1wj6 s GLU 64 N -3.32 3.78 0.19 3.52 2.02 -1.26 -4.84 118.70 118.80 1wj6 s GLU 64 Ca 0.00 -0.45 -0.33 0.00 0.02 0.00 0.00 54.97 54.21 1wj6 s GLU 64 Cb 0.00 -3.06 -0.13 0.00 0.10 0.00 0.00 34.13 31.04 1wj6 s GLU 64 CO 0.00 0.21 1.67 0.39 0.02 0.00 0.00 175.26 177.55 1wj6 n GLU 65 N 3.67 2.55 -4.05 1.61 1.02 -1.26 -1.73 120.64 122.45 1wj6 n GLU 65 Ca -0.17 0.92 -0.34 0.00 -0.02 0.00 0.00 57.16 57.55 1wj6 n GLU 65 Cb 0.52 -2.74 -0.15 0.00 -0.02 0.00 0.00 31.44 29.05 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 1.05 2.61 -0.06 2.62 1.01 0.51 -4.85 120.40 123.29 1wj6 s VAL 66 Ca 0.76 -0.75 -0.24 0.00 0.00 0.00 0.00 61.98 61.75 1wj6 s VAL 66 Cb -0.57 -2.14 -0.04 0.00 0.00 0.00 0.00 36.38 33.64 1wj6 s VAL 66 CO 0.34 0.49 0.73 -0.94 0.00 0.00 0.00 175.10 175.72 1wj6 s SER 67 N 1.35 7.02 -0.15 3.32 1.04 -1.26 -0.66 113.70 124.37 1wj6 s SER 67 Ca 0.05 1.23 -0.05 0.00 0.48 0.00 0.00 55.95 57.66 1wj6 s SER 67 Cb -0.14 -2.43 -0.04 0.00 0.10 0.00 0.00 66.02 63.52 1wj6 s SER 67 CO -0.09 -0.13 0.04 -0.63 0.98 0.00 0.00 173.24 173.41 1wj6 s ILE 68 N 0.83 4.61 0.00 -1.02 1.01 -1.25 -4.96 121.20 120.43 1wj6 s ILE 68 Ca 0.39 -0.11 0.00 0.00 0.00 0.00 0.00 60.65 60.93 1wj6 s ILE 68 Cb -0.18 -3.03 0.00 0.00 0.01 0.00 0.00 42.46 39.26 1wj6 s ILE 68 CO 0.19 0.52 0.00 0.59 0.00 0.00 0.00 174.94 176.24 1wj6 n ASN 69 N 3.01 2.29 -4.80 3.58 3.02 -1.26 -4.81 115.26 116.28 1wj6 n ASN 69 Ca -0.18 0.00 -0.31 0.00 -0.03 0.00 0.00 54.58 54.07 1wj6 n ASN 69 Cb 0.53 0.00 -0.05 0.00 -0.61 0.00 0.00 39.78 39.64 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 -4.36 4.29 0.06 6.41 0.15 -1.26 -4.93 113.70 114.06 1wj6 s SER 70 Ca 0.00 -1.51 -0.27 0.00 0.70 0.00 0.00 55.95 54.86 1wj6 s SER 70 Cb 0.00 0.46 -0.17 0.00 -1.71 0.00 0.00 66.02 64.60 1wj6 s SER 70 CO 0.00 -0.92 1.55 -0.61 1.20 0.00 0.00 173.24 174.45 1wj6 h GLN 71 N 1.17 -0.44 -0.95 5.44 5.75 -1.98 -2.71 115.11 121.39 1wj6 h GLN 71 Ca -0.42 0.03 0.28 0.00 -0.15 0.00 0.00 58.65 58.39 1wj6 h GLN 71 Cb 1.31 0.10 -0.18 0.00 1.07 0.00 0.00 27.48 29.78 1wj6 h GLN 71 CO 0.69 -0.22 0.07 0.41 -2.65 0.00 0.00 178.83 177.13 1wj6 n GLY 72 N -0.98 -1.23 0.23 2.39 0.00 -1.26 0.19 105.19 104.53 1wj6 n GLY 72 Ca -0.10 0.91 -0.08 0.00 0.00 0.00 0.00 46.02 46.75 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 0.76 -0.16 1.61 5.08 -1.91 -2.89 114.58 117.06 1wj6 h GLU 73 Ca 0.60 -0.15 -0.04 0.00 -1.00 0.00 0.00 59.36 58.77 1wj6 h GLU 73 Cb 1.28 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 30.41 1wj6 h GLU 73 CO -0.87 0.69 -0.04 -0.92 -1.00 0.00 0.00 179.01 176.87 1wj6 h TYR 74 N 0.67 0.36 -0.60 4.33 3.20 0.24 -2.98 116.97 122.18 1wj6 h TYR 74 Ca 0.16 -0.08 0.06 0.00 3.14 0.00 0.00 58.73 62.01 1wj6 h TYR 74 Cb 0.23 -0.09 -0.08 0.00 1.54 0.00 0.00 36.73 38.33 1wj6 h TYR 74 CO 0.01 0.59 -0.47 0.93 -1.64 0.00 0.00 178.16 177.59 1wj6 h GLU 75 N 0.02 -0.14 -0.29 1.82 5.08 0.11 0.37 114.58 121.54 1wj6 h GLU 75 Ca 0.04 0.01 0.06 0.00 -1.00 0.00 0.00 59.36 58.47 1wj6 h GLU 75 Cb 0.48 0.03 -0.08 0.00 0.50 0.00 0.00 28.75 29.68 1wj6 h GLU 75 CO 0.02 -0.09 -0.38 0.93 -1.00 0.00 0.00 179.01 178.49 1wj6 h GLU 76 N -0.14 -0.34 -1.01 2.33 5.08 -1.56 0.36 114.58 119.31 1wj6 h GLU 76 Ca 0.10 0.02 0.25 0.00 -1.00 0.00 0.00 59.36 58.74 1wj6 h GLU 76 Cb 0.40 0.08 -0.12 0.00 0.50 0.00 0.00 28.75 29.60 1wj6 h GLU 76 CO -0.64 -0.23 0.60 0.00 -1.00 0.00 0.00 179.01 177.74 1wj6 h ALA 77 N 0.45 1.83 -0.14 3.43 0.00 -0.92 1.49 119.26 125.40 1wj6 h ALA 77 Ca 0.13 0.13 -0.11 0.00 0.00 0.00 0.00 54.91 55.05 1wj6 h ALA 77 Cb 0.58 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 1wj6 h ALA 77 CO -0.49 -0.31 -0.41 -0.07 0.00 0.00 0.00 179.25 177.97 1wj6 h LEU 78 N 0.55 0.32 -0.40 0.00 3.38 0.33 0.21 115.31 119.71 1wj6 h LEU 78 Ca 0.65 -0.14 -0.15 0.00 0.09 0.00 0.00 57.88 58.33 1wj6 h LEU 78 Cb 1.28 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.93 1wj6 h LEU 78 CO -0.47 0.70 -0.35 0.11 0.09 0.00 0.00 178.44 178.52 1wj6 h LYS 79 N 0.26 0.94 -0.35 1.13 1.57 0.53 -3.00 116.57 117.65 1wj6 h LYS 79 Ca 0.02 -0.48 -0.12 0.00 -1.87 0.00 0.00 60.65 58.21 1wj6 h LYS 79 Cb 0.84 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 33.15 1wj6 h LYS 79 CO 0.07 1.14 -0.24 1.98 -0.57 0.00 0.00 179.45 181.82 1wj6 h MET 80 N 0.76 0.78 -0.97 3.15 4.05 0.12 -2.96 114.93 119.86 1wj6 h MET 80 Ca 0.07 -0.37 0.21 0.00 -0.28 0.00 0.00 59.70 59.32 1wj6 h MET 80 Cb 0.94 -0.00 -0.11 0.00 -0.80 0.00 0.00 31.60 31.63 1wj6 h MET 80 CO 0.09 1.00 0.55 0.00 0.23 0.00 0.00 176.91 178.78 1wj6 h ALA 81 N 0.76 1.62 -0.77 0.39 0.00 -0.90 0.50 119.26 120.87 1wj6 h ALA 81 Ca 0.07 0.11 0.07 0.00 0.00 0.00 0.00 54.91 55.15 1wj6 h ALA 81 Cb 0.81 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.52 1wj6 h ALA 81 CO 0.07 -0.16 0.44 0.28 0.00 0.00 0.00 179.25 179.88 1wj6 h VAL 82 N 0.64 0.97 -0.08 0.00 2.07 -1.38 -0.07 116.25 118.40 1wj6 h VAL 82 Ca 0.58 -0.27 0.02 0.00 0.82 0.00 0.00 66.70 67.85 1wj6 h VAL 82 Cb 0.99 0.11 -0.02 0.00 -1.52 0.00 0.00 31.29 30.84 1wj6 h VAL 82 CO -0.43 0.14 -0.06 0.11 0.02 0.00 0.00 177.57 177.36 1wj6 h LYS 83 N 0.79 -0.06 0.04 1.57 1.57 -0.03 -3.17 116.57 117.27 1wj6 h LYS 83 Ca 0.35 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 59.13 1wj6 h LYS 83 Cb 0.23 0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.56 1wj6 h LYS 83 CO -0.20 -0.04 -0.04 1.96 -0.57 0.00 0.00 179.45 180.56 1wj6 h GLN 84 N -0.06 -0.08 0.00 3.15 4.20 -0.59 -3.45 115.11 118.28 1wj6 h GLN 84 Ca 0.05 0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.77 1wj6 h GLN 84 Cb 0.14 0.02 0.00 0.00 0.30 0.00 0.00 27.48 27.94 1wj6 h GLN 84 CO -0.12 -0.05 0.00 0.41 -0.67 0.00 0.00 178.83 178.40 1wj6 n GLY 85 N -1.04 0.00 2.31 3.46 0.00 -0.27 -4.94 105.19 104.70 1wj6 n GLY 85 Ca -0.01 0.00 -0.11 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 -3.65 -3.82 1.61 4.13 -0.20 -4.90 115.26 108.44 1wj6 n ASN 86 Ca 0.00 -0.10 -0.10 0.00 1.68 0.00 0.00 54.58 56.06 1wj6 n ASN 86 Cb 0.00 -2.65 -0.08 0.00 -1.54 0.00 0.00 39.78 35.51 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 -4.91 0.77 -0.04 3.52 1.03 -1.12 0.20 119.66 119.10 1wj6 s GLN 87 Ca 0.10 -0.66 -0.03 0.00 0.04 0.00 0.00 55.36 54.81 1wj6 s GLN 87 Cb -0.05 0.32 0.02 0.00 0.03 0.00 0.00 33.01 33.34 1wj6 s GLN 87 CO 0.13 -0.24 0.10 -1.17 -2.54 0.00 0.00 175.29 171.57 1wj6 s LEU 88 N -2.26 1.28 -0.63 2.60 2.96 0.25 -4.26 118.68 118.63 1wj6 s LEU 88 Ca -0.03 0.20 -0.20 0.00 -0.22 0.00 0.00 54.13 53.88 1wj6 s LEU 88 Cb 0.00 0.28 0.09 0.00 0.50 0.00 0.00 46.19 47.06 1wj6 s LEU 88 CO -0.05 -0.08 0.81 -1.10 -1.32 0.00 0.00 176.35 174.61 1wj6 s GLN 89 N 0.55 3.09 0.04 1.98 1.11 -1.26 0.16 119.66 125.32 1wj6 s GLN 89 Ca -0.04 -1.16 0.02 0.00 0.01 0.00 0.00 55.36 54.18 1wj6 s GLN 89 Cb -0.06 -4.27 -0.04 0.00 -1.01 0.00 0.00 33.01 27.63 1wj6 s GLN 89 CO -0.02 -1.65 0.07 -1.64 0.01 0.00 0.00 175.29 172.06 1wj6 s MET 90 N 3.18 2.94 -0.13 2.91 -1.94 0.43 -1.85 119.30 124.85 1wj6 s MET 90 Ca 0.16 -0.61 -0.00 0.00 -1.71 0.00 0.00 55.69 53.53 1wj6 s MET 90 Cb -0.21 -2.77 0.03 0.00 2.01 0.00 0.00 34.83 33.89 1wj6 s MET 90 CO 0.07 0.60 -0.09 -0.65 -0.01 0.00 0.00 175.02 174.94 1wj6 s GLN 91 N -2.08 1.71 0.22 2.03 -0.21 0.51 0.15 119.66 121.99 1wj6 s GLN 91 Ca 0.26 -0.36 -0.30 0.00 0.02 0.00 0.00 55.36 54.99 1wj6 s GLN 91 Cb -0.12 -1.76 -0.09 0.00 1.00 0.00 0.00 33.01 32.05 1wj6 s GLN 91 CO 0.18 -0.28 1.20 0.08 -2.12 0.00 0.00 175.29 174.35 1wj6 s VAL 92 N 1.65 3.45 -0.34 1.09 1.01 -1.11 0.20 120.40 126.35 1wj6 s VAL 92 Ca 0.05 1.28 -0.01 0.00 0.00 0.00 0.00 61.98 63.30 1wj6 s VAL 92 Cb -0.13 -3.82 0.12 0.00 0.00 0.00 0.00 36.38 32.55 1wj6 s VAL 92 CO -0.09 0.23 0.16 -1.00 0.00 0.00 0.00 175.10 174.40 1wj6 s HIS 93 N -0.35 1.21 0.26 5.22 3.76 -1.20 -4.45 115.29 119.73 1wj6 s HIS 93 Ca 0.51 -1.65 -0.27 0.00 -0.15 0.00 0.00 55.06 53.50 1wj6 s HIS 93 Cb -0.33 -1.37 -0.16 0.00 1.11 0.00 0.00 32.58 31.83 1wj6 s HIS 93 CO 0.39 -0.84 0.69 0.39 -0.85 0.00 0.00 174.74 174.53 1wj6 n GLU 94 N 4.50 0.55 0.00 1.40 -0.58 -1.26 0.18 120.64 125.43 1wj6 n GLU 94 Ca 0.02 0.19 0.00 0.00 -0.42 0.00 0.00 57.16 56.96 1wj6 n GLU 94 Cb 0.39 -1.36 0.00 0.00 -0.57 0.00 0.00 31.44 29.91 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 1.70 1.55 3.24 0.62 0.00 -0.64 -4.66 105.19 107.01 1wj6 n GLY 95 Ca 0.14 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.04 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 -6.09 -2.72 1.61 2.88 -1.26 -4.95 113.62 103.08 1wj6 n SER 96 Ca 0.00 0.22 -0.11 0.00 -1.33 0.00 0.00 58.87 57.64 1wj6 n SER 96 Cb 0.00 -1.55 0.08 0.00 -0.75 0.00 0.00 64.21 61.99 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 0.82 -1.28 3.55 0.46 0.00 -1.26 -4.94 105.19 102.54 1wj6 n GLY 97 Ca -0.03 -1.68 -0.39 0.00 0.00 0.00 0.00 46.02 43.92 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 -4.10 2.94 -0.28 1.61 0.04 -1.26 -4.90 135.00 129.04 1wj6 s PRO 98 Ca 0.29 0.02 -0.02 0.00 0.04 0.00 0.00 61.00 61.32 1wj6 s PRO 98 Cb -0.01 -4.44 0.11 0.00 0.04 0.00 0.00 34.50 30.20 1wj6 s PRO 98 CO 0.20 -2.50 0.21 0.45 0.04 0.00 0.00 177.00 175.40 1wj6 s SER 99 N 5.98 2.59 -0.13 6.66 0.15 -1.26 -5.12 113.70 122.58 1wj6 s SER 99 Ca 0.52 -0.99 -0.07 0.00 0.70 0.00 0.00 55.95 56.11 1wj6 s SER 99 Cb -0.09 0.07 0.05 0.00 -1.71 0.00 0.00 66.02 64.34 1wj6 s SER 99 CO 0.14 -0.41 0.30 -0.94 1.20 0.00 0.00 173.24 173.53 1wj6 s SER 100 N 2.23 -0.35 0.00 5.45 1.04 -1.26 -5.23 113.70 115.58 1wj6 s SER 100 Ca 0.09 0.65 0.00 0.00 0.48 0.00 0.00 55.95 57.17 1wj6 s SER 100 Cb -0.15 0.54 0.00 0.00 0.10 0.00 0.00 66.02 66.51 1wj6 s SER 100 CO -0.34 -0.17 0.00 0.61 0.98 0.00 0.00 173.24 174.32