#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 -0.61 -1.16 1.61 1.04 -1.26 -5.09 113.70 108.24 1wj6 s SER 2 Ca 0.00 1.13 -0.10 0.00 0.48 0.00 0.00 55.95 57.46 1wj6 s SER 2 Cb 0.00 1.11 0.24 0.00 0.10 0.00 0.00 66.02 67.47 1wj6 s SER 2 CO 0.00 -0.20 1.29 -0.24 0.98 0.00 0.00 173.24 175.07 1wj6 n SER 3 N 3.12 5.46 0.00 7.02 2.88 -1.26 -5.00 113.62 125.83 1wj6 n SER 3 Ca -0.15 -3.04 0.00 0.00 -1.33 0.00 0.00 58.87 54.34 1wj6 n SER 3 Cb 0.56 -1.45 0.00 0.00 -0.75 0.00 0.00 64.21 62.58 1wj6 n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wj6 n GLY 4 N 3.10 0.59 3.64 0.46 0.00 -1.26 -4.86 105.19 106.86 1wj6 n GLY 4 Ca 0.29 -0.66 -0.09 0.00 0.00 0.00 0.00 46.02 45.56 1wj6 n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wj6 s SER 5 N -3.55 -0.63 0.67 1.61 1.04 -1.26 -5.17 113.70 106.41 1wj6 s SER 5 Ca 0.00 1.14 -0.04 0.00 0.48 0.00 0.00 55.95 57.54 1wj6 s SER 5 Cb 0.00 1.19 0.07 0.00 0.10 0.00 0.00 66.02 67.38 1wj6 s SER 5 CO 0.00 -0.19 0.95 -0.44 0.98 0.00 0.00 173.24 174.54 1wj6 s SER 6 N 0.68 4.79 0.08 7.02 0.01 -1.26 -5.12 113.70 119.91 1wj6 s SER 6 Ca -0.02 0.17 -0.14 0.00 1.31 0.00 0.00 55.95 57.27 1wj6 s SER 6 Cb -0.05 -0.82 0.02 0.00 0.21 0.00 0.00 66.02 65.39 1wj6 s SER 6 CO -0.08 -1.56 0.33 -0.83 0.41 0.00 0.00 173.24 171.51 1wj6 s GLY 7 N -4.54 -0.15 0.54 3.44 0.00 -1.26 -5.18 107.32 100.17 1wj6 s GLY 7 Ca 0.61 -0.11 -0.09 0.00 0.00 0.00 0.00 44.72 45.13 1wj6 s GLY 7 CO 0.43 -0.34 0.60 -1.55 0.00 0.00 0.00 173.10 172.24 1wj6 n PRO 8 N 0.13 -1.35 -3.65 2.90 -0.04 -1.26 -5.11 135.00 126.63 1wj6 n PRO 8 Ca -0.17 -0.94 -0.03 0.00 -0.04 0.00 0.00 63.50 62.33 1wj6 n PRO 8 Cb 0.62 -0.74 -0.06 0.00 -0.04 0.00 0.00 33.50 33.28 1wj6 n PRO 8 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 1wj6 s HIS 9 N -2.21 -0.05 -0.05 0.54 3.76 -1.26 -5.18 115.29 110.84 1wj6 s HIS 9 Ca 0.36 0.11 -0.24 0.00 -0.15 0.00 0.00 55.06 55.14 1wj6 s HIS 9 Cb -0.02 0.49 0.05 0.00 1.11 0.00 0.00 32.58 34.21 1wj6 s HIS 9 CO 0.26 -0.03 0.53 0.45 -0.85 0.00 0.00 174.74 175.11 1wj6 s SER 10 N -0.38 -0.48 -0.31 1.40 0.15 -1.26 -5.13 113.70 107.68 1wj6 s SER 10 Ca 0.08 0.53 0.00 0.00 0.70 0.00 0.00 55.95 57.26 1wj6 s SER 10 Cb -0.03 0.52 0.10 0.00 -1.71 0.00 0.00 66.02 64.89 1wj6 s SER 10 CO -0.13 -0.51 0.08 -0.04 1.20 0.00 0.00 173.24 173.85 1wj6 s MET 11 N -1.09 0.92 -0.30 5.44 -1.94 -1.26 -5.06 119.30 116.01 1wj6 s MET 11 Ca -0.11 -1.26 -0.25 0.00 -1.71 0.00 0.00 55.69 52.36 1wj6 s MET 11 Cb -0.02 -2.30 0.19 0.00 2.01 0.00 0.00 34.83 34.71 1wj6 s MET 11 CO 0.07 -0.96 1.45 -1.83 -0.01 0.00 0.00 175.02 173.73 1wj6 s GLU 12 N 1.44 0.05 0.01 2.03 -1.05 -1.26 -5.05 118.70 114.86 1wj6 s GLU 12 Ca 0.10 0.05 -0.20 0.00 -0.15 0.00 0.00 54.97 54.77 1wj6 s GLU 12 Cb -0.18 0.02 -0.22 0.00 -0.44 0.00 0.00 34.13 33.32 1wj6 s GLU 12 CO -0.20 -0.01 1.13 -1.00 0.95 0.00 0.00 175.26 176.13 1wj6 h PRO 13 N 3.04 0.41 -4.38 -4.83 0.13 -1.88 -3.44 132.00 121.05 1wj6 h PRO 13 Ca -0.26 -0.40 -0.45 0.00 -0.87 0.00 0.00 66.00 64.02 1wj6 h PRO 13 Cb 1.20 0.10 -0.07 0.00 0.13 0.00 0.00 31.00 32.36 1wj6 h PRO 13 CO 0.18 1.06 1.47 1.04 -0.23 0.00 0.00 178.00 181.52 1wj6 n GLN 14 N -4.27 0.00 -4.14 0.86 3.00 -1.13 -4.63 117.38 107.08 1wj6 n GLN 14 Ca -0.10 0.00 -0.36 0.00 -0.01 0.00 0.00 57.00 56.54 1wj6 n GLN 14 Cb 0.62 -1.29 -0.08 0.00 0.00 0.00 0.00 30.24 29.50 1wj6 n GLN 14 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.06 177.14 1wj6 s VAL 15 N 7.47 4.86 -0.58 5.09 1.01 -0.45 -4.78 120.40 133.03 1wj6 s VAL 15 Ca 1.15 -0.04 -0.20 0.00 0.00 0.00 0.00 61.98 62.89 1wj6 s VAL 15 Cb -1.10 -3.08 0.08 0.00 0.00 0.00 0.00 36.38 32.27 1wj6 s VAL 15 CO 0.44 0.61 0.76 -0.89 0.00 0.00 0.00 175.10 176.01 1wj6 s THR 16 N -0.92 4.68 -0.69 3.92 2.01 0.42 -0.98 115.64 124.08 1wj6 s THR 16 Ca 0.14 -0.57 -0.23 0.00 0.31 0.00 0.00 61.69 61.34 1wj6 s THR 16 Cb -0.12 -4.48 0.07 0.00 0.01 0.00 0.00 72.50 67.99 1wj6 s THR 16 CO 0.03 -1.10 1.02 -0.76 -0.69 0.00 0.00 174.62 173.12 1wj6 s LEU 17 N 3.10 4.29 -0.66 4.42 1.43 -0.57 0.46 118.68 131.15 1wj6 s LEU 17 Ca 0.17 -1.01 -0.25 0.00 -1.03 0.00 0.00 54.13 52.02 1wj6 s LEU 17 Cb -0.20 -2.43 0.05 0.00 0.03 0.00 0.00 46.19 43.64 1wj6 s LEU 17 CO 0.10 -1.46 1.07 0.20 0.23 0.00 0.00 176.35 176.49 1wj6 s ASN 18 N 3.71 6.22 -0.35 2.29 0.01 0.14 -1.30 114.94 125.65 1wj6 s ASN 18 Ca 0.24 -0.64 -0.17 0.00 -0.71 0.00 0.00 52.86 51.59 1wj6 s ASN 18 Cb -0.15 -2.47 -0.01 0.00 0.41 0.00 0.00 41.25 39.03 1wj6 s ASN 18 CO 0.09 -1.52 0.44 -0.69 -1.51 0.00 0.00 177.10 173.91 1wj6 s VAL 19 N 4.59 5.09 -0.50 1.60 1.01 0.16 0.19 120.40 132.54 1wj6 s VAL 19 Ca 0.29 0.18 -0.06 0.00 0.00 0.00 0.00 61.98 62.38 1wj6 s VAL 19 Cb -0.13 -3.90 0.13 0.00 0.00 0.00 0.00 36.38 32.48 1wj6 s VAL 19 CO 0.14 -0.16 0.35 -0.89 0.00 0.00 0.00 175.10 174.54 1wj6 s THR 20 N 2.20 3.92 -0.52 3.92 2.01 0.33 0.17 115.64 127.67 1wj6 s THR 20 Ca 0.15 -2.13 -0.19 0.00 0.31 0.00 0.00 61.69 59.83 1wj6 s THR 20 Cb -0.16 -3.59 0.07 0.00 0.01 0.00 0.00 72.50 68.82 1wj6 s THR 20 CO 0.12 -0.79 0.64 0.12 -0.69 0.00 0.00 174.62 174.03 1wj6 s PHE 21 N 0.96 3.04 0.00 4.92 5.36 0.43 -2.43 117.98 130.26 1wj6 s PHE 21 Ca 0.09 -0.64 0.00 0.00 -0.96 0.00 0.00 56.93 55.42 1wj6 s PHE 21 Cb -0.23 -3.64 0.00 0.00 -0.34 0.00 0.00 43.02 38.81 1wj6 s PHE 21 CO -0.03 -1.09 0.00 1.63 -1.46 0.00 0.00 175.22 174.27 1wj6 n LYS 22 N 6.19 0.00 0.00 10.12 5.02 -1.26 0.69 118.16 138.92 1wj6 n LYS 22 Ca -0.07 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.22 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 4.33 0.77 -4.78 4.39 2.85 -1.26 -5.02 115.26 116.54 1wj6 n ASN 23 Ca 0.00 -0.93 -0.37 0.00 -0.11 0.00 0.00 54.58 53.17 1wj6 n ASN 23 Cb 0.00 0.11 -0.06 0.00 1.24 0.00 0.00 39.78 41.07 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 -0.11 4.09 -0.08 1.20 8.01 0.22 -5.08 118.70 126.95 1wj6 s GLU 24 Ca 0.00 0.30 0.03 0.00 0.01 0.00 0.00 54.97 55.30 1wj6 s GLU 24 Cb 0.00 -3.33 -0.02 0.00 -4.31 0.00 0.00 34.13 26.47 1wj6 s GLU 24 CO 0.00 0.43 -0.15 0.42 0.01 0.00 0.00 175.26 175.97 1wj6 s ILE 25 N -0.20 2.91 0.14 -1.63 1.01 -1.26 0.16 121.20 122.33 1wj6 s ILE 25 Ca 0.22 -0.75 0.02 0.00 0.00 0.00 0.00 60.65 60.13 1wj6 s ILE 25 Cb -0.15 -2.16 -0.04 0.00 0.01 0.00 0.00 42.46 40.12 1wj6 s ILE 25 CO 0.09 0.56 -0.03 -1.58 0.00 0.00 0.00 174.94 173.99 1wj6 s GLN 26 N -0.24 0.99 -0.05 2.79 2.00 0.46 -4.96 119.66 120.65 1wj6 s GLN 26 Ca 0.01 -1.45 -0.02 0.00 -2.00 0.00 0.00 55.36 51.90 1wj6 s GLN 26 Cb -0.13 -0.25 0.03 0.00 0.80 0.00 0.00 33.01 33.46 1wj6 s GLN 26 CO 0.03 -0.08 0.10 0.45 -0.50 0.00 0.00 175.29 175.29 1wj6 s SER 27 N -3.12 -0.06 -0.16 6.67 0.15 -1.25 0.38 113.70 116.31 1wj6 s SER 27 Ca 0.19 0.21 -0.02 0.00 0.70 0.00 0.00 55.95 57.03 1wj6 s SER 27 Cb 0.06 0.12 0.05 0.00 -1.71 0.00 0.00 66.02 64.53 1wj6 s SER 27 CO 0.00 -0.12 0.00 -0.36 1.20 0.00 0.00 173.24 173.96 1wj6 s PHE 28 N 0.94 1.17 0.09 3.44 0.08 -0.42 -4.92 117.98 118.35 1wj6 s PHE 28 Ca -0.07 -0.80 -0.30 0.00 0.12 0.00 0.00 56.93 55.88 1wj6 s PHE 28 Cb -0.10 -1.07 -0.05 0.00 -0.57 0.00 0.00 43.02 41.23 1wj6 s PHE 28 CO -0.04 -0.56 1.06 -1.17 -0.10 0.00 0.00 175.22 174.41 1wj6 s LEU 29 N 1.81 4.43 -0.37 -0.37 2.96 -1.25 -1.51 118.68 124.39 1wj6 s LEU 29 Ca 0.01 1.89 0.03 0.00 -0.22 0.00 0.00 54.13 55.83 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 -0.25 0.10 -0.69 -1.32 0.00 0.00 176.35 174.12 1wj6 s VAL 30 N 0.44 2.01 -0.85 1.68 1.01 -0.16 -4.87 120.40 119.66 1wj6 s VAL 30 Ca 0.52 -2.33 0.21 0.00 0.00 0.00 0.00 61.98 60.37 1wj6 s VAL 30 Cb -0.26 -2.47 0.19 0.00 0.00 0.00 0.00 36.38 33.84 1wj6 s VAL 30 CO 0.31 -0.66 1.64 -0.24 0.00 0.00 0.00 175.10 176.14 1wj6 n SER 31 N 4.14 0.24 -3.20 3.32 2.88 -1.26 -1.34 113.62 118.40 1wj6 n SER 31 Ca 0.03 0.55 -0.23 0.00 -1.33 0.00 0.00 58.87 57.89 1wj6 n SER 31 Cb 0.40 -0.60 -0.06 0.00 -0.75 0.00 0.00 64.21 63.20 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 -1.75 0.82 0.17 -3.46 5.68 -1.26 -4.21 116.55 112.54 1wj6 n ASP 32 Ca 0.04 -2.88 0.13 0.00 -0.50 0.00 0.00 54.79 51.58 1wj6 n ASP 32 Cb 0.24 -0.63 0.44 0.00 -1.14 0.00 0.00 41.12 40.03 1wj6 n ASP 32 CO 0.00 0.00 0.00 1.55 -1.33 0.00 0.00 177.20 177.42 1wj6 h PRO 33 N 3.71 0.00 0.00 0.11 0.13 -1.82 0.29 132.00 134.42 1wj6 h PRO 33 Ca 0.09 0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 65.06 1wj6 h PRO 33 Cb 0.87 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.97 1wj6 h PRO 33 CO 0.52 0.00 -2.05 0.39 -0.23 0.00 0.00 178.00 176.62 1wj6 n GLU 34 N -2.57 0.67 -0.09 0.86 1.02 -1.26 -4.47 120.64 114.79 1wj6 n GLU 34 Ca 0.03 -0.06 -0.20 0.00 -0.02 0.00 0.00 57.16 56.91 1wj6 n GLU 34 Cb 0.36 -1.56 -0.12 0.00 -0.02 0.00 0.00 31.44 30.10 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 0.00 0.01 -3.95 1.62 -0.73 -1.91 -3.47 115.58 107.16 1wj6 h ASN 35 Ca -0.24 -0.64 -0.49 0.00 1.87 0.00 0.00 56.30 56.80 1wj6 h ASN 35 Cb 1.56 -0.00 0.19 0.00 0.27 0.00 0.00 38.32 40.34 1wj6 h ASN 35 CO 0.02 1.38 0.17 0.28 -0.37 0.00 0.00 177.43 178.91 1wj6 s THR 36 N -2.33 2.25 0.24 -3.57 -1.32 0.10 -5.04 115.64 105.97 1wj6 s THR 36 Ca -0.26 0.08 0.08 0.00 -1.21 0.00 0.00 61.69 60.38 1wj6 s THR 36 Cb 0.04 -2.22 -0.04 0.00 -1.51 0.00 0.00 72.50 68.77 1wj6 s THR 36 CO 0.62 -0.11 0.08 0.42 -2.21 0.00 0.00 174.62 173.43 1wj6 s THR 37 N -2.66 3.93 0.31 5.08 -4.23 -1.26 -4.87 115.64 111.94 1wj6 s THR 37 Ca 0.66 -1.59 0.03 0.00 -1.18 0.00 0.00 61.69 59.62 1wj6 s THR 37 Cb -0.22 -3.09 0.12 0.00 1.34 0.00 0.00 72.50 70.65 1wj6 s THR 37 CO 0.60 -0.31 1.81 -0.25 -0.54 0.00 0.00 174.62 175.93 1wj6 h TRP 38 N 1.90 0.54 -0.13 3.99 -0.00 -1.90 -0.93 115.95 119.42 1wj6 h TRP 38 Ca -0.46 -0.08 0.04 0.00 -0.00 0.00 0.00 58.89 58.38 1wj6 h TRP 38 Cb 1.23 -0.15 -0.01 0.00 -0.00 0.00 0.00 29.16 30.24 1wj6 h TRP 38 CO 0.62 0.61 0.12 0.00 -0.00 0.00 0.00 178.44 179.78 1wj6 h ALA 39 N 1.41 1.90 0.23 2.65 0.00 -1.92 0.48 119.26 124.01 1wj6 h ALA 39 Ca 0.09 -0.00 -0.30 0.00 0.00 0.00 0.00 54.91 54.69 1wj6 h ALA 39 Cb 0.48 0.01 0.03 0.00 0.00 0.00 0.00 17.79 18.31 1wj6 h ALA 39 CO 0.03 -0.18 -1.34 -0.44 0.00 0.00 0.00 179.25 177.31 1wj6 h ASP 40 N 0.00 0.74 0.34 0.00 3.32 -1.59 -3.09 116.42 116.13 1wj6 h ASP 40 Ca 0.06 -0.93 -0.02 0.00 0.02 0.00 0.00 57.03 56.17 1wj6 h ASP 40 Cb 0.29 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 39.61 1wj6 h ASP 40 CO -0.00 1.64 -0.16 0.40 -1.72 0.00 0.00 179.24 179.40 1wj6 h ILE 41 N 0.01 0.00 -0.75 0.35 1.08 -0.50 -1.17 117.51 116.53 1wj6 h ILE 41 Ca -0.24 -0.14 0.07 0.00 -0.39 0.00 0.00 64.86 64.16 1wj6 h ILE 41 Cb 2.04 0.00 -0.09 0.00 -3.07 0.00 0.00 36.82 35.70 1wj6 h ILE 41 CO 0.24 0.00 -0.44 1.21 -0.69 0.00 0.00 178.15 178.47 1wj6 n GLU 42 N -3.59 -0.33 -0.22 2.37 2.13 0.15 0.12 120.64 121.27 1wj6 n GLU 42 Ca -0.06 1.29 0.02 0.00 0.66 0.00 0.00 57.16 59.08 1wj6 n GLU 42 Cb 0.18 -1.90 0.13 0.00 0.27 0.00 0.00 31.44 30.11 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 0.21 0.72 0.01 4.31 0.00 -1.61 -1.13 119.26 121.78 1wj6 h ALA 43 Ca 0.12 0.18 0.03 0.00 0.00 0.00 0.00 54.91 55.23 1wj6 h ALA 43 Cb 0.31 0.28 -0.05 0.00 0.00 0.00 0.00 17.79 18.32 1wj6 h ALA 43 CO -0.70 -0.37 -0.45 1.98 0.00 0.00 0.00 179.25 179.71 1wj6 h MET 44 N 0.18 -0.59 0.00 0.00 1.85 0.22 2.10 114.93 118.68 1wj6 h MET 44 Ca 0.35 0.04 0.00 0.00 -0.61 0.00 0.00 59.70 59.48 1wj6 h MET 44 Cb 0.57 0.13 0.00 0.00 0.43 0.00 0.00 31.60 32.73 1wj6 h MET 44 CO -0.51 -0.39 0.25 0.28 -0.40 0.00 0.00 176.91 176.14 1wj6 h VAL 45 N -0.61 0.00 0.10 -5.77 2.07 0.36 1.83 116.25 114.23 1wj6 h VAL 45 Ca 0.04 0.00 -0.36 0.00 0.82 0.00 0.00 66.70 67.19 1wj6 h VAL 45 Cb 0.68 0.71 -0.03 0.00 -1.52 0.00 0.00 31.29 31.13 1wj6 h VAL 45 CO -0.32 0.00 -2.06 0.29 0.02 0.00 0.00 177.57 175.51 1wj6 n LYS 46 N -2.85 0.74 0.00 1.57 5.02 0.17 -3.06 118.16 119.74 1wj6 n LYS 46 Ca -0.02 0.24 0.14 0.00 -2.02 0.00 0.00 58.31 56.65 1wj6 n LYS 46 Cb 0.30 -1.69 0.63 0.00 -0.02 0.00 0.00 35.03 34.25 1wj6 n LYS 46 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1wj6 n VAL 47 N -3.42 0.00 -0.03 -0.18 0.31 0.66 0.67 118.33 116.34 1wj6 n VAL 47 Ca -0.33 -0.00 -0.10 0.00 -0.01 0.00 0.00 64.34 63.90 1wj6 n VAL 47 Cb 1.04 -0.48 -0.14 0.00 -0.91 0.00 0.00 33.84 33.34 1wj6 n VAL 47 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1wj6 n SER 48 N -1.47 0.85 -0.17 4.52 2.88 0.59 -4.19 113.62 116.63 1wj6 n SER 48 Ca 0.08 0.32 0.07 0.00 -1.33 0.00 0.00 58.87 58.01 1wj6 n SER 48 Cb 0.33 0.04 -0.04 0.00 -0.75 0.00 0.00 64.21 63.78 1wj6 n SER 48 CO 0.00 0.00 0.00 0.49 -1.23 0.00 0.00 175.04 174.30 1wj6 n PHE 49 N -3.04 0.00 -2.95 0.66 3.01 -1.17 -4.99 117.46 108.98 1wj6 n PHE 49 Ca -0.21 0.00 -0.11 0.00 1.01 0.00 0.00 57.45 58.13 1wj6 n PHE 49 Cb 1.07 0.00 0.05 0.00 -0.01 0.00 0.00 39.48 40.59 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 -0.74 -2.60 -4.72 4.37 2.03 0.21 -5.03 116.55 110.06 1wj6 n ASP 50 Ca 0.04 -0.37 -0.26 0.00 0.52 0.00 0.00 54.79 54.72 1wj6 n ASP 50 Cb 0.27 -3.36 -0.07 0.00 -0.72 0.00 0.00 41.12 37.24 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 -4.75 3.54 -0.24 -2.67 1.43 0.11 -5.01 118.68 111.08 1wj6 s LEU 51 Ca 0.08 -0.27 -0.08 0.00 -1.03 0.00 0.00 54.13 52.82 1wj6 s LEU 51 Cb -0.03 -2.17 -0.17 0.00 0.03 0.00 0.00 46.19 43.85 1wj6 s LEU 51 CO 0.45 0.08 -0.14 0.59 0.23 0.00 0.00 176.35 177.56 1wj6 n ASN 52 N -0.21 1.98 -3.91 2.29 4.13 -1.26 -4.62 115.26 113.66 1wj6 n ASN 52 Ca -0.09 0.16 -0.25 0.00 1.68 0.00 0.00 54.58 56.08 1wj6 n ASN 52 Cb 0.55 -0.69 -0.17 0.00 -1.54 0.00 0.00 39.78 37.93 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 -2.50 0.89 0.17 3.41 -4.23 -1.26 -5.05 115.64 107.07 1wj6 s THR 53 Ca -0.34 -0.24 0.01 0.00 -1.18 0.00 0.00 61.69 59.94 1wj6 s THR 53 Cb 0.10 -0.91 -0.04 0.00 1.34 0.00 0.00 72.50 72.99 1wj6 s THR 53 CO 0.58 0.33 0.02 0.27 -0.54 0.00 0.00 174.62 175.28 1wj6 s ILE 54 N 1.47 0.54 -0.38 2.99 -4.36 -1.26 -1.19 121.20 119.00 1wj6 s ILE 54 Ca -0.00 -1.96 0.12 0.00 -0.26 0.00 0.00 60.65 58.54 1wj6 s ILE 54 Cb -0.13 -2.12 0.36 0.00 1.25 0.00 0.00 42.46 41.82 1wj6 s ILE 54 CO -0.05 -0.46 0.76 1.67 0.24 0.00 0.00 174.94 177.11 1wj6 n GLN 55 N -0.21 1.18 -1.07 0.37 -0.06 0.51 -4.67 117.38 113.43 1wj6 n GLN 55 Ca -0.06 -3.50 -0.34 0.00 -2.00 0.00 0.00 57.00 51.10 1wj6 n GLN 55 Cb 0.63 -1.73 0.01 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 0.21 0.03 -3.66 1.69 5.41 -1.26 -3.74 119.36 118.04 1wj6 n ILE 56 Ca 0.25 -0.43 -0.08 0.00 1.00 0.00 0.00 62.75 63.49 1wj6 n ILE 56 Cb 0.65 0.00 -0.09 0.00 -0.71 0.00 0.00 39.64 39.49 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 -0.86 0.35 -0.03 0.38 1.02 0.86 -3.74 119.74 117.73 1wj6 s LYS 57 Ca 0.49 1.08 -0.01 0.00 0.02 0.00 0.00 55.97 57.56 1wj6 s LYS 57 Cb -0.43 0.39 -0.04 0.00 -0.52 0.00 0.00 37.83 37.23 1wj6 s LYS 57 CO 0.56 -0.24 0.05 1.52 -0.92 0.00 0.00 175.35 176.32 1wj6 s TYR 58 N 2.63 3.23 0.03 3.18 -0.85 0.24 0.18 117.35 125.99 1wj6 s TYR 58 Ca -0.02 0.19 -0.30 0.00 -0.52 0.00 0.00 57.07 56.42 1wj6 s TYR 58 Cb -0.12 -1.74 -0.04 0.00 0.38 0.00 0.00 41.96 40.44 1wj6 s TYR 58 CO -0.13 0.52 1.05 -0.51 -1.52 0.00 0.00 175.55 174.96 1wj6 s LEU 59 N -1.47 4.38 0.00 -3.49 1.43 -0.67 0.20 118.68 119.06 1wj6 s LEU 59 Ca 0.20 1.78 -0.04 0.00 -1.03 0.00 0.00 54.13 55.04 1wj6 s LEU 59 Cb -0.12 -3.57 0.09 0.00 0.03 0.00 0.00 46.19 42.62 1wj6 s LEU 59 CO 0.10 -0.31 0.57 -0.90 0.23 0.00 0.00 176.35 176.04 1wj6 n ASP 60 N 3.79 0.37 0.00 2.29 5.68 -0.49 -4.77 116.55 123.42 1wj6 n ASP 60 Ca 0.07 -1.40 0.02 0.00 -0.50 0.00 0.00 54.79 52.97 1wj6 n ASP 60 Cb 0.49 -0.40 0.10 0.00 -1.14 0.00 0.00 41.12 40.17 1wj6 n ASP 60 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 1wj6 n GLU 61 N -2.13 0.00 0.00 0.11 1.02 -1.26 0.18 120.64 118.56 1wj6 n GLU 61 Ca 0.08 0.43 0.11 0.00 -0.02 0.00 0.00 57.16 57.76 1wj6 n GLU 61 Cb 0.29 -1.51 0.08 0.00 -0.02 0.00 0.00 31.44 30.28 1wj6 n GLU 61 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1wj6 n GLU 62 N -1.51 1.94 -2.16 3.49 1.02 -1.26 -4.94 120.64 117.21 1wj6 n GLU 62 Ca 0.01 -1.73 -0.09 0.00 -0.02 0.00 0.00 57.16 55.33 1wj6 n GLU 62 Cb 0.05 -1.41 -0.00 0.00 -0.02 0.00 0.00 31.44 30.06 1wj6 n GLU 62 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1wj6 n ASN 63 N 1.14 -3.04 -4.49 1.62 3.02 0.13 -5.01 115.26 108.63 1wj6 n ASN 63 Ca 0.12 -0.01 -0.35 0.00 -0.03 0.00 0.00 54.58 54.32 1wj6 n ASN 63 Cb 0.53 -2.33 -0.12 0.00 -0.61 0.00 0.00 39.78 37.25 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 -4.42 3.69 0.05 3.52 2.02 -1.26 -4.76 118.70 117.55 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 -3.06 -0.10 0.00 0.10 0.00 0.00 34.13 31.06 1wj6 s GLU 64 CO 0.00 0.12 1.89 0.39 0.02 0.00 0.00 175.26 177.67 1wj6 n GLU 65 N 3.94 2.66 -4.33 1.61 1.02 -1.26 -1.40 120.64 122.89 1wj6 n GLU 65 Ca -0.17 0.97 -0.33 0.00 -0.02 0.00 0.00 57.16 57.61 1wj6 n GLU 65 Cb 0.52 -2.87 -0.16 0.00 -0.02 0.00 0.00 31.44 28.90 1wj6 n GLU 65 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1wj6 s VAL 66 N 3.60 2.06 0.08 2.62 1.01 0.54 -4.83 120.40 125.47 1wj6 s VAL 66 Ca 0.87 -0.95 -0.21 0.00 0.00 0.00 0.00 61.98 61.69 1wj6 s VAL 66 Cb -0.52 -1.84 -0.07 0.00 0.00 0.00 0.00 36.38 33.95 1wj6 s VAL 66 CO 0.42 0.54 0.61 -0.94 0.00 0.00 0.00 175.10 175.74 1wj6 s SER 67 N 1.11 7.11 -0.16 3.32 1.04 -1.26 0.83 113.70 125.69 1wj6 s SER 67 Ca 0.00 1.32 -0.06 0.00 0.48 0.00 0.00 55.95 57.69 1wj6 s SER 67 Cb -0.14 -2.39 -0.04 0.00 0.10 0.00 0.00 66.02 63.55 1wj6 s SER 67 CO -0.09 0.23 0.05 -0.63 0.98 0.00 0.00 173.24 173.78 1wj6 s ILE 68 N -0.94 4.71 -0.01 -1.02 1.01 -1.25 -4.95 121.20 118.75 1wj6 s ILE 68 Ca 0.31 -0.07 0.00 0.00 0.00 0.00 0.00 60.65 60.89 1wj6 s ILE 68 Cb -0.20 -3.09 -0.01 0.00 0.01 0.00 0.00 42.46 39.17 1wj6 s ILE 68 CO 0.20 0.50 -0.01 0.59 0.00 0.00 0.00 174.94 176.22 1wj6 n ASN 69 N 3.21 3.54 -4.45 3.58 3.02 -1.26 -4.85 115.26 118.05 1wj6 n ASN 69 Ca -0.17 -0.00 -0.30 0.00 -0.03 0.00 0.00 54.58 54.08 1wj6 n ASN 69 Cb 0.53 -0.02 -0.06 0.00 -0.61 0.00 0.00 39.78 39.62 1wj6 n ASN 69 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1wj6 n SER 70 N -2.59 3.26 0.19 6.41 7.64 -1.26 -4.86 113.62 122.41 1wj6 n SER 70 Ca -0.02 -3.02 -0.14 0.00 1.01 0.00 0.00 58.87 56.69 1wj6 n SER 70 Cb 0.52 0.31 -0.08 0.00 -1.01 0.00 0.00 64.21 63.95 1wj6 n SER 70 CO 0.00 0.00 0.00 -0.61 -3.01 0.00 0.00 175.04 171.42 1wj6 h GLN 71 N 0.00 -0.46 -0.91 1.43 5.75 -1.98 -2.88 115.11 116.06 1wj6 h GLN 71 Ca -0.38 0.03 0.18 0.00 -0.15 0.00 0.00 58.65 58.33 1wj6 h GLN 71 Cb 1.17 0.11 -0.17 0.00 1.07 0.00 0.00 27.48 29.65 1wj6 h GLN 71 CO 0.64 -0.18 -0.24 0.41 -2.65 0.00 0.00 178.83 176.81 1wj6 n GLY 72 N -0.62 -1.55 0.25 2.39 0.00 -1.26 0.18 105.19 104.59 1wj6 n GLY 72 Ca -0.10 0.98 -0.04 0.00 0.00 0.00 0.00 46.02 46.86 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 0.75 -0.07 1.61 5.08 -1.95 -2.46 114.58 117.54 1wj6 h GLU 73 Ca 0.43 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.73 1wj6 h GLU 73 Cb 0.66 -0.17 -0.00 0.00 0.50 0.00 0.00 28.75 29.73 1wj6 h GLU 73 CO -0.93 0.50 -0.00 -0.92 -1.00 0.00 0.00 179.01 176.65 1wj6 h TYR 74 N 0.78 0.14 -0.40 4.33 3.20 0.22 -2.74 116.97 122.50 1wj6 h TYR 74 Ca 0.26 -0.03 0.04 0.00 3.14 0.00 0.00 58.73 62.14 1wj6 h TYR 74 Cb 0.02 -0.04 -0.06 0.00 1.54 0.00 0.00 36.73 38.20 1wj6 h TYR 74 CO -0.05 0.41 -0.36 0.93 -1.64 0.00 0.00 178.16 177.45 1wj6 h GLU 75 N -0.17 -0.15 -0.37 1.82 5.08 0.87 0.51 114.58 122.17 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 0.36 0.03 -0.09 0.00 0.50 0.00 0.00 28.75 29.55 1wj6 h GLU 75 CO 0.00 -0.10 -0.36 0.93 -1.00 0.00 0.00 179.01 178.48 1wj6 h GLU 76 N -0.15 -0.29 -0.96 2.33 4.39 -1.50 0.39 114.58 118.79 1wj6 h GLU 76 Ca 0.07 0.02 0.22 0.00 0.34 0.00 0.00 59.36 60.01 1wj6 h GLU 76 Cb 0.33 0.07 -0.12 0.00 -0.10 0.00 0.00 28.75 28.92 1wj6 h GLU 76 CO -0.46 -0.19 0.52 0.00 -1.16 0.00 0.00 179.01 177.72 1wj6 h ALA 77 N 0.59 1.62 -0.36 3.43 0.00 -0.86 0.99 119.26 124.68 1wj6 h ALA 77 Ca 0.15 0.13 -0.09 0.00 0.00 0.00 0.00 54.91 55.10 1wj6 h ALA 77 Cb 0.56 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 1wj6 h ALA 77 CO -0.53 -0.25 -0.16 -0.07 0.00 0.00 0.00 179.25 178.23 1wj6 h LEU 78 N 0.55 0.65 -0.73 0.00 3.38 0.37 -0.61 115.31 118.93 1wj6 h LEU 78 Ca 0.60 -0.20 -0.06 0.00 0.09 0.00 0.00 57.88 58.31 1wj6 h LEU 78 Cb 1.09 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 41.63 1wj6 h LEU 78 CO -0.47 0.83 0.23 0.11 0.09 0.00 0.00 178.44 179.23 1wj6 h LYS 79 N 0.59 1.13 -0.22 1.13 1.57 0.44 -2.44 116.57 118.77 1wj6 h LYS 79 Ca 0.10 -0.24 -0.13 0.00 -1.87 0.00 0.00 60.65 58.51 1wj6 h LYS 79 Cb 0.61 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.75 1wj6 h LYS 79 CO 0.04 0.96 -0.40 1.98 -0.57 0.00 0.00 179.45 181.46 1wj6 h MET 80 N 1.07 0.50 -0.73 3.15 4.05 -0.28 -2.95 114.93 119.75 1wj6 h MET 80 Ca 0.24 -0.25 0.07 0.00 -0.28 0.00 0.00 59.70 59.47 1wj6 h MET 80 Cb 0.30 0.00 -0.06 0.00 -0.80 0.00 0.00 31.60 31.04 1wj6 h MET 80 CO -0.01 0.82 0.42 0.00 0.23 0.00 0.00 176.91 178.37 1wj6 h ALA 81 N 1.15 0.99 -0.88 0.39 0.00 -0.66 -0.17 119.26 120.08 1wj6 h ALA 81 Ca 0.04 0.02 0.11 0.00 0.00 0.00 0.00 54.91 55.08 1wj6 h ALA 81 Cb 0.88 -0.14 -0.08 0.00 0.00 0.00 0.00 17.79 18.45 1wj6 h ALA 81 CO 0.08 0.10 0.51 0.28 0.00 0.00 0.00 179.25 180.22 1wj6 h VAL 82 N 0.75 0.87 -0.27 0.00 2.07 -1.30 0.26 116.25 118.64 1wj6 h VAL 82 Ca 0.33 -0.28 0.02 0.00 0.82 0.00 0.00 66.70 67.59 1wj6 h VAL 82 Cb 0.21 -0.02 -0.02 0.00 -1.52 0.00 0.00 31.29 29.94 1wj6 h VAL 82 CO -0.19 0.15 0.12 0.11 0.02 0.00 0.00 177.57 177.78 1wj6 h LYS 83 N 0.82 0.26 0.47 1.57 1.57 -1.05 -3.09 116.57 117.11 1wj6 h LYS 83 Ca 0.44 -0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 59.19 1wj6 h LYS 83 Cb 0.47 -0.06 -0.00 0.00 0.08 0.00 0.00 32.23 32.72 1wj6 h LYS 83 CO -0.28 0.17 -0.31 1.96 -0.57 0.00 0.00 179.45 180.42 1wj6 h GLN 84 N 0.26 -0.72 0.00 3.15 4.20 -0.44 -3.46 115.11 118.10 1wj6 h GLN 84 Ca 0.11 0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.87 1wj6 h GLN 84 Cb 0.05 0.16 0.00 0.00 0.30 0.00 0.00 27.48 27.99 1wj6 h GLN 84 CO -0.09 -0.48 0.00 0.41 -0.67 0.00 0.00 178.83 178.00 1wj6 n GLY 85 N -1.39 0.00 2.28 3.46 0.00 -0.10 -4.92 105.19 104.52 1wj6 n GLY 85 Ca -0.09 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.83 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 -3.52 -3.81 1.61 4.13 -0.67 -4.91 115.26 108.09 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 -2.52 -0.08 0.00 -1.54 0.00 0.00 39.78 35.65 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 0.79 -0.03 3.52 1.03 -1.16 0.16 119.66 119.05 1wj6 s GLN 87 Ca 0.10 -0.69 -0.03 0.00 0.04 0.00 0.00 55.36 54.79 1wj6 s GLN 87 Cb -0.05 0.33 0.01 0.00 0.03 0.00 0.00 33.01 33.33 1wj6 s GLN 87 CO 0.13 -0.25 0.09 -1.17 -2.54 0.00 0.00 175.29 171.55 1wj6 s LEU 88 N -2.33 1.64 -0.54 2.60 2.96 0.17 -4.22 118.68 118.97 1wj6 s LEU 88 Ca -0.02 0.17 -0.19 0.00 -0.22 0.00 0.00 54.13 53.88 1wj6 s LEU 88 Cb 0.01 0.29 0.08 0.00 0.50 0.00 0.00 46.19 47.07 1wj6 s LEU 88 CO -0.06 -0.03 0.64 -1.10 -1.32 0.00 0.00 176.35 174.47 1wj6 s GLN 89 N 0.09 3.07 0.00 1.98 -0.21 -1.26 0.23 119.66 123.56 1wj6 s GLN 89 Ca -0.00 -1.14 0.02 0.00 0.02 0.00 0.00 55.36 54.26 1wj6 s GLN 89 Cb -0.01 -4.18 -0.03 0.00 1.00 0.00 0.00 33.01 29.79 1wj6 s GLN 89 CO -0.00 -1.35 -0.03 -1.64 -2.12 0.00 0.00 175.29 170.15 1wj6 s MET 90 N 2.55 2.69 -0.17 2.91 -1.94 0.50 -1.67 119.30 124.16 1wj6 s MET 90 Ca 0.12 -0.66 0.00 0.00 -1.71 0.00 0.00 55.69 53.45 1wj6 s MET 90 Cb -0.22 -2.60 0.03 0.00 2.01 0.00 0.00 34.83 34.05 1wj6 s MET 90 CO 0.09 0.62 -0.11 -0.65 -0.01 0.00 0.00 175.02 174.95 1wj6 s GLN 91 N -1.50 2.04 0.30 2.03 -0.21 0.47 0.12 119.66 122.92 1wj6 s GLN 91 Ca 0.18 -0.68 -0.29 0.00 0.02 0.00 0.00 55.36 54.60 1wj6 s GLN 91 Cb -0.11 -2.22 -0.10 0.00 1.00 0.00 0.00 33.01 31.58 1wj6 s GLN 91 CO 0.09 -0.35 1.17 0.08 -2.12 0.00 0.00 175.29 174.16 1wj6 s VAL 92 N 1.47 3.22 -0.29 1.09 1.01 -1.02 -0.10 120.40 125.78 1wj6 s VAL 92 Ca 0.01 1.22 -0.04 0.00 0.00 0.00 0.00 61.98 63.18 1wj6 s VAL 92 Cb -0.15 -3.77 0.10 0.00 0.00 0.00 0.00 36.38 32.56 1wj6 s VAL 92 CO -0.09 0.29 0.13 -1.00 0.00 0.00 0.00 175.10 174.42 1wj6 s HIS 93 N -1.17 0.35 0.54 5.22 3.76 -1.25 -4.26 115.29 118.49 1wj6 s HIS 93 Ca 0.46 -0.90 -0.19 0.00 -0.15 0.00 0.00 55.06 54.29 1wj6 s HIS 93 Cb -0.34 -0.92 -0.09 0.00 1.11 0.00 0.00 32.58 32.33 1wj6 s HIS 93 CO 0.45 -0.83 0.51 0.39 -0.85 0.00 0.00 174.74 174.41 1wj6 n GLU 94 N 5.24 0.52 0.00 1.40 -0.58 -1.26 0.19 120.64 126.16 1wj6 n GLU 94 Ca -0.06 0.20 0.00 0.00 -0.42 0.00 0.00 57.16 56.88 1wj6 n GLU 94 Cb 0.42 -1.66 0.00 0.00 -0.57 0.00 0.00 31.44 29.63 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 1.79 0.37 1.74 0.62 0.00 -0.33 -4.64 105.19 104.74 1wj6 n GLY 95 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 1wj6 n GLY 95 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1wj6 n SER 96 N 0.00 0.11 -2.43 1.61 7.64 -1.26 -5.02 113.62 114.27 1wj6 n SER 96 Ca 0.00 0.28 -0.02 0.00 1.01 0.00 0.00 58.87 60.14 1wj6 n SER 96 Cb 0.00 0.15 -0.01 0.00 -1.01 0.00 0.00 64.21 63.34 1wj6 n SER 96 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wj6 n GLY 97 N 2.04 -5.56 3.78 0.23 0.00 -1.26 -4.95 105.19 99.47 1wj6 n GLY 97 Ca 0.00 0.60 -0.29 0.00 0.00 0.00 0.00 46.02 46.33 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 -0.61 0.76 -0.30 1.61 0.04 -1.26 -5.08 135.00 130.18 1wj6 s PRO 98 Ca -0.09 0.15 -0.15 0.00 0.04 0.00 0.00 61.00 60.95 1wj6 s PRO 98 Cb 0.01 -1.81 0.16 0.00 0.04 0.00 0.00 34.50 32.89 1wj6 s PRO 98 CO 0.23 -2.42 0.96 -1.12 0.04 0.00 0.00 177.00 174.69 1wj6 s SER 99 N -4.13 -0.61 0.32 6.66 0.01 -1.26 -5.16 113.70 109.54 1wj6 s SER 99 Ca 0.66 0.86 -0.26 0.00 1.31 0.00 0.00 55.95 58.52 1wj6 s SER 99 Cb -0.13 1.60 -0.10 0.00 0.21 0.00 0.00 66.02 67.61 1wj6 s SER 99 CO 0.54 -0.12 0.97 -0.94 0.41 0.00 0.00 173.24 174.09 1wj6 s SER 100 N 2.22 7.28 0.00 2.44 1.04 -1.26 -5.35 113.70 120.08 1wj6 s SER 100 Ca -0.04 1.91 0.00 0.00 0.48 0.00 0.00 55.95 58.30 1wj6 s SER 100 Cb -0.06 -2.59 0.00 0.00 0.10 0.00 0.00 66.02 63.47 1wj6 s SER 100 CO -0.17 -0.11 0.00 0.61 0.98 0.00 0.00 173.24 174.55