#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 -0.26 -0.27 1.61 0.01 -1.26 -5.02 113.70 108.52 1wj6 s SER 2 Ca 0.00 -0.59 -0.26 0.00 1.31 0.00 0.00 55.95 56.41 1wj6 s SER 2 Cb 0.00 0.69 0.12 0.00 0.21 0.00 0.00 66.02 67.04 1wj6 s SER 2 CO 0.00 -1.26 1.03 -0.44 0.41 0.00 0.00 173.24 172.97 1wj6 s SER 3 N -2.92 -0.44 -0.30 2.44 0.01 -1.26 -5.15 113.70 106.08 1wj6 s SER 3 Ca 0.12 0.81 -0.18 0.00 1.31 0.00 0.00 55.95 58.01 1wj6 s SER 3 Cb -0.04 0.81 0.17 0.00 0.21 0.00 0.00 66.02 67.17 1wj6 s SER 3 CO 0.05 -0.17 1.23 -0.83 0.41 0.00 0.00 173.24 173.92 1wj6 s GLY 4 N 0.06 -0.06 -0.24 3.44 0.00 -1.26 -4.81 107.32 104.46 1wj6 s GLY 4 Ca 0.03 3.17 -0.05 0.00 0.00 0.00 0.00 44.72 47.87 1wj6 s GLY 4 CO -0.05 3.93 0.45 -0.56 0.00 0.00 0.00 173.10 176.87 1wj6 s SER 5 N 2.93 -0.29 0.00 1.64 0.01 -1.26 -4.96 113.70 111.77 1wj6 s SER 5 Ca -0.09 0.73 0.00 0.00 1.31 0.00 0.00 55.95 57.90 1wj6 s SER 5 Cb -0.08 1.45 0.00 0.00 0.21 0.00 0.00 66.02 67.60 1wj6 s SER 5 CO -0.08 -0.26 0.00 -0.24 0.41 0.00 0.00 173.24 173.07 1wj6 n SER 6 N 5.39 0.00 0.00 2.44 2.88 -1.26 -4.50 113.62 118.58 1wj6 n SER 6 Ca -0.06 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.48 1wj6 n SER 6 Cb 0.50 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.96 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 0.00 2.24 3.03 0.46 0.00 -1.26 -4.99 105.19 104.67 1wj6 n GLY 7 Ca 0.00 -0.54 -0.42 0.00 0.00 0.00 0.00 46.02 45.07 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 0.00 2.19 0.08 1.61 -0.04 -1.26 -3.43 135.00 134.15 1wj6 n PRO 8 Ca 0.00 -2.32 0.00 0.00 -0.04 0.00 0.00 63.50 61.14 1wj6 n PRO 8 Cb 0.00 -3.18 0.00 0.00 -0.04 0.00 0.00 33.50 30.28 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 7.57 -2.94 -2.70 0.54 8.25 -1.26 -5.15 115.22 119.54 1wj6 n HIS 9 Ca 0.50 0.56 -0.24 0.00 -0.26 0.00 0.00 57.72 58.28 1wj6 n HIS 9 Cb 0.41 1.66 0.02 0.00 1.12 0.00 0.00 29.99 33.20 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 -1.76 5.63 0.49 0.41 1.04 -1.22 -5.11 113.70 113.17 1wj6 s SER 10 Ca 0.00 0.40 0.08 0.00 0.48 0.00 0.00 55.95 56.91 1wj6 s SER 10 Cb 0.00 -1.49 0.03 0.00 0.10 0.00 0.00 66.02 64.67 1wj6 s SER 10 CO 0.00 -0.93 0.57 -0.04 0.98 0.00 0.00 173.24 173.82 1wj6 s MET 11 N -4.77 2.51 0.32 4.02 1.00 -1.26 -4.90 119.30 116.23 1wj6 s MET 11 Ca 0.52 -1.55 0.09 0.00 0.00 0.00 0.00 55.69 54.74 1wj6 s MET 11 Cb -0.10 -2.54 -0.04 0.00 0.00 0.00 0.00 34.83 32.15 1wj6 s MET 11 CO 0.41 -0.49 0.09 -1.21 0.00 0.00 0.00 175.02 173.82 1wj6 s GLU 12 N -4.39 2.31 0.04 2.03 8.01 -1.26 -4.72 118.70 120.72 1wj6 s GLU 12 Ca 0.52 -1.55 -0.18 0.00 0.01 0.00 0.00 54.97 53.78 1wj6 s GLU 12 Cb -0.06 -2.14 -0.21 0.00 -4.31 0.00 0.00 34.13 27.41 1wj6 s GLU 12 CO 0.32 0.17 1.17 -1.00 0.01 0.00 0.00 175.26 175.93 1wj6 h PRO 13 N 1.66 0.53 -4.41 0.39 0.13 -1.88 -3.44 132.00 124.96 1wj6 h PRO 13 Ca -0.44 -0.51 -0.46 0.00 -0.87 0.00 0.00 66.00 63.73 1wj6 h PRO 13 Cb 1.25 0.13 -0.07 0.00 0.13 0.00 0.00 31.00 32.44 1wj6 h PRO 13 CO 0.63 1.14 1.48 1.04 -0.23 0.00 0.00 178.00 182.06 1wj6 n GLN 14 N -4.14 0.00 -3.99 0.86 6.02 -1.17 -4.67 117.38 110.29 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 0.69 -1.29 -0.06 0.00 1.02 0.00 0.00 30.24 30.60 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 7.47 5.06 -0.52 5.09 1.01 -0.69 -4.79 120.40 133.03 1wj6 s VAL 15 Ca 1.16 -0.38 -0.16 0.00 0.00 0.00 0.00 61.98 62.59 1wj6 s VAL 15 Cb -1.11 -3.39 0.11 0.00 0.00 0.00 0.00 36.38 31.99 1wj6 s VAL 15 CO 0.44 0.26 0.49 -0.89 0.00 0.00 0.00 175.10 175.40 1wj6 s THR 16 N -1.33 5.17 -0.70 3.92 2.01 0.52 -0.77 115.64 124.45 1wj6 s THR 16 Ca 0.28 -1.29 -0.23 0.00 0.31 0.00 0.00 61.69 60.76 1wj6 s THR 16 Cb -0.12 -4.29 0.06 0.00 0.01 0.00 0.00 72.50 68.16 1wj6 s THR 16 CO 0.20 -0.80 1.06 -0.76 -0.69 0.00 0.00 174.62 173.62 1wj6 s LEU 17 N 1.75 4.11 -0.61 4.42 1.43 -0.58 0.33 118.68 129.53 1wj6 s LEU 17 Ca 0.05 -0.92 -0.23 0.00 -1.03 0.00 0.00 54.13 51.99 1wj6 s LEU 17 Cb -0.27 -2.45 0.05 0.00 0.03 0.00 0.00 46.19 43.55 1wj6 s LEU 17 CO 0.05 -1.52 0.96 0.20 0.23 0.00 0.00 176.35 176.27 1wj6 s ASN 18 N 3.73 6.25 -0.23 2.29 0.01 0.13 -1.03 114.94 126.09 1wj6 s ASN 18 Ca 0.26 -0.67 -0.15 0.00 -0.71 0.00 0.00 52.86 51.59 1wj6 s ASN 18 Cb -0.14 -2.43 -0.04 0.00 0.41 0.00 0.00 41.25 39.05 1wj6 s ASN 18 CO 0.10 -1.35 0.38 -0.69 -1.51 0.00 0.00 177.10 174.02 1wj6 s VAL 19 N 4.07 5.20 -0.44 1.60 1.01 0.72 0.19 120.40 132.75 1wj6 s VAL 19 Ca 0.26 0.63 -0.01 0.00 0.00 0.00 0.00 61.98 62.87 1wj6 s VAL 19 Cb -0.14 -3.71 0.12 0.00 0.00 0.00 0.00 36.38 32.65 1wj6 s VAL 19 CO 0.15 0.23 0.21 -0.89 0.00 0.00 0.00 175.10 174.80 1wj6 s THR 20 N 1.54 3.11 -0.51 3.92 2.01 0.25 0.95 115.64 126.91 1wj6 s THR 20 Ca 0.17 -2.34 -0.18 0.00 0.31 0.00 0.00 61.69 59.65 1wj6 s THR 20 Cb -0.15 -3.14 0.08 0.00 0.01 0.00 0.00 72.50 69.30 1wj6 s THR 20 CO 0.08 -0.71 0.56 0.12 -0.69 0.00 0.00 174.62 173.98 1wj6 s PHE 21 N 0.81 3.11 0.00 4.92 5.36 0.11 -2.79 117.98 129.50 1wj6 s PHE 21 Ca 0.11 -0.79 0.00 0.00 -0.96 0.00 0.00 56.93 55.29 1wj6 s PHE 21 Cb -0.22 -3.53 0.00 0.00 -0.34 0.00 0.00 43.02 38.93 1wj6 s PHE 21 CO -0.05 -1.01 0.00 1.63 -1.46 0.00 0.00 175.22 174.34 1wj6 n LYS 22 N 5.84 0.00 0.00 10.12 5.02 -1.26 0.10 118.16 137.97 1wj6 n LYS 22 Ca -0.09 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.20 1wj6 n LYS 22 Cb 0.44 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.45 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 5.28 0.67 -4.85 4.39 5.15 -1.26 -5.03 115.26 119.61 1wj6 n ASN 23 Ca 0.00 -0.85 -0.34 0.00 -0.60 0.00 0.00 54.58 52.79 1wj6 n ASN 23 Cb 0.00 0.26 -0.06 0.00 -0.53 0.00 0.00 39.78 39.46 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 -0.26 3.94 -0.05 1.20 2.02 0.11 -5.08 118.70 120.58 1wj6 s GLU 24 Ca 0.00 0.45 0.02 0.00 0.02 0.00 0.00 54.97 55.47 1wj6 s GLU 24 Cb 0.00 -2.83 0.01 0.00 0.10 0.00 0.00 34.13 31.41 1wj6 s GLU 24 CO 0.00 0.42 -0.10 0.42 0.02 0.00 0.00 175.26 176.01 1wj6 s ILE 25 N -1.59 0.95 0.23 -1.63 1.01 -1.26 0.10 121.20 119.02 1wj6 s ILE 25 Ca 0.41 -0.39 0.02 0.00 0.00 0.00 0.00 60.65 60.69 1wj6 s ILE 25 Cb -0.14 -0.88 -0.05 0.00 0.01 0.00 0.00 42.46 41.40 1wj6 s ILE 25 CO 0.20 0.31 0.03 -1.10 0.00 0.00 0.00 174.94 174.38 1wj6 s GLN 26 N 0.59 1.30 -0.04 2.79 -0.21 0.27 -4.97 119.66 119.40 1wj6 s GLN 26 Ca -0.11 -1.67 -0.01 0.00 0.02 0.00 0.00 55.36 53.58 1wj6 s GLN 26 Cb -0.14 -0.40 0.03 0.00 1.00 0.00 0.00 33.01 33.50 1wj6 s GLN 26 CO 0.02 -0.18 0.07 0.45 -2.12 0.00 0.00 175.29 173.54 1wj6 s SER 27 N -3.27 -0.01 -0.19 5.90 0.15 -1.25 -0.20 113.70 114.82 1wj6 s SER 27 Ca 0.30 0.14 -0.00 0.00 0.70 0.00 0.00 55.95 57.09 1wj6 s SER 27 Cb 0.07 0.05 0.05 0.00 -1.71 0.00 0.00 66.02 64.47 1wj6 s SER 27 CO 0.09 -0.12 -0.04 -0.36 1.20 0.00 0.00 173.24 174.01 1wj6 s PHE 28 N 0.93 1.82 0.09 3.44 0.40 -0.20 -4.92 117.98 119.55 1wj6 s PHE 28 Ca -0.08 -1.26 -0.30 0.00 -0.60 0.00 0.00 56.93 54.69 1wj6 s PHE 28 Cb -0.10 -1.36 -0.06 0.00 0.51 0.00 0.00 43.02 42.01 1wj6 s PHE 28 CO -0.03 -0.66 1.14 -1.17 0.70 0.00 0.00 175.22 175.19 1wj6 s LEU 29 N 1.59 4.40 -0.48 -0.37 2.96 -1.25 -1.53 118.68 124.00 1wj6 s LEU 29 Ca -0.01 1.98 0.04 0.00 -0.22 0.00 0.00 54.13 55.92 1wj6 s LEU 29 Cb -0.17 -3.58 0.12 0.00 0.50 0.00 0.00 46.19 43.06 1wj6 s LEU 29 CO -0.07 -0.37 0.22 -0.69 -1.32 0.00 0.00 176.35 174.12 1wj6 s VAL 30 N 0.68 2.48 -1.28 1.68 1.01 0.05 -4.89 120.40 120.12 1wj6 s VAL 30 Ca 0.55 -3.11 0.16 0.00 0.00 0.00 0.00 61.98 59.58 1wj6 s VAL 30 Cb -0.28 -2.75 0.23 0.00 0.00 0.00 0.00 36.38 33.58 1wj6 s VAL 30 CO 0.31 -0.76 1.48 -1.54 0.00 0.00 0.00 175.10 174.58 1wj6 n SER 31 N 3.34 0.00 -3.11 3.32 3.41 -1.26 -1.71 113.62 117.61 1wj6 n SER 31 Ca 0.05 0.21 -0.21 0.00 -0.26 0.00 0.00 58.87 58.66 1wj6 n SER 31 Cb 0.34 -0.36 -0.05 0.00 -0.26 0.00 0.00 64.21 63.89 1wj6 n SER 31 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1wj6 n ASP 32 N -1.36 -0.38 0.24 4.04 5.75 -1.26 -4.33 116.55 119.25 1wj6 n ASP 32 Ca 0.06 -2.82 0.15 0.00 -0.01 0.00 0.00 54.79 52.17 1wj6 n ASP 32 Cb 0.15 -0.18 0.44 0.00 -1.03 0.00 0.00 41.12 40.50 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 3.97 0.00 0.00 0.11 0.13 -1.83 0.21 132.00 134.58 1wj6 h PRO 33 Ca 0.03 0.00 -0.27 0.00 -0.87 0.00 0.00 66.00 64.89 1wj6 h PRO 33 Cb 0.91 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 31.99 1wj6 h PRO 33 CO 0.44 0.00 -1.90 0.39 -0.23 0.00 0.00 178.00 176.70 1wj6 n GLU 34 N -3.02 0.65 -0.06 0.86 1.02 -1.26 -4.48 120.64 114.35 1wj6 n GLU 34 Ca 0.02 0.14 -0.05 0.00 -0.02 0.00 0.00 57.16 57.26 1wj6 n GLU 34 Cb 0.41 -1.69 -0.03 0.00 -0.02 0.00 0.00 31.44 30.11 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 0.00 -2.05 1.62 -0.73 -1.92 -3.47 115.58 109.03 1wj6 h ASN 35 Ca -0.33 -0.17 -0.26 0.00 1.87 0.00 0.00 56.30 57.40 1wj6 h ASN 35 Cb 1.94 0.00 0.15 0.00 0.27 0.00 0.00 38.32 40.67 1wj6 h ASN 35 CO 0.05 0.72 -0.41 1.07 -0.37 0.00 0.00 177.43 178.49 1wj6 n THR 36 N -4.68 0.00 -4.57 -3.57 5.66 0.71 -5.02 114.28 102.81 1wj6 n THR 36 Ca -0.06 -0.07 -0.23 0.00 -3.05 0.00 0.00 64.05 60.65 1wj6 n THR 36 Cb 0.19 -0.53 -0.14 0.00 -1.55 0.00 0.00 70.33 68.30 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 -2.09 1.33 0.40 1.09 -4.23 -1.26 -4.92 115.64 105.95 1wj6 s THR 37 Ca 0.40 -0.96 0.16 0.00 -1.18 0.00 0.00 61.69 60.12 1wj6 s THR 37 Cb -0.07 -1.16 0.37 0.00 1.34 0.00 0.00 72.50 72.99 1wj6 s THR 37 CO 0.39 0.18 1.83 -0.25 -0.54 0.00 0.00 174.62 176.23 1wj6 h TRP 38 N 5.17 0.64 -0.62 3.99 2.91 -1.91 1.13 115.95 127.26 1wj6 h TRP 38 Ca -0.39 0.02 0.08 0.00 1.13 0.00 0.00 58.89 59.73 1wj6 h TRP 38 Cb 1.17 -0.19 -0.04 0.00 -0.51 0.00 0.00 29.16 29.58 1wj6 h TRP 38 CO 0.48 0.15 0.41 0.00 -1.03 0.00 0.00 178.44 178.45 1wj6 h ALA 39 N 1.61 1.87 -0.12 2.65 0.00 -1.94 1.58 119.26 124.91 1wj6 h ALA 39 Ca 0.51 -0.02 -0.20 0.00 0.00 0.00 0.00 54.91 55.21 1wj6 h ALA 39 Cb 1.20 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.86 1wj6 h ALA 39 CO -0.23 0.02 -0.74 -0.44 0.00 0.00 0.00 179.25 177.86 1wj6 h ASP 40 N 0.55 0.69 -0.07 0.00 3.32 0.89 -1.76 116.42 120.03 1wj6 h ASP 40 Ca 0.28 -0.44 -0.08 0.00 0.02 0.00 0.00 57.03 56.81 1wj6 h ASP 40 Cb 0.37 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 39.72 1wj6 h ASP 40 CO -0.08 1.21 -0.25 0.40 -1.72 0.00 0.00 179.24 178.79 1wj6 h ILE 41 N 0.40 1.43 0.19 0.35 5.03 -0.04 0.29 117.51 125.16 1wj6 h ILE 41 Ca -0.04 -1.66 0.01 0.00 -0.12 0.00 0.00 64.86 63.06 1wj6 h ILE 41 Cb 1.33 2.32 -0.03 0.00 -3.03 0.00 0.00 36.82 37.41 1wj6 h ILE 41 CO 0.14 0.47 -0.33 -0.08 -0.68 0.00 0.00 178.15 177.66 1wj6 h GLU 42 N -0.22 -0.58 -0.56 2.37 4.81 0.21 0.10 114.58 120.71 1wj6 h GLU 42 Ca -0.01 0.04 -0.07 0.00 -0.13 0.00 0.00 59.36 59.19 1wj6 h GLU 42 Cb 0.89 0.13 -0.02 0.00 0.63 0.00 0.00 28.75 30.38 1wj6 h GLU 42 CO 0.05 -0.39 0.08 0.00 -0.73 0.00 0.00 179.01 178.02 1wj6 h ALA 43 N -0.02 0.75 -0.45 2.92 0.00 -1.40 -2.10 119.26 118.96 1wj6 h ALA 43 Ca 0.01 -0.26 0.09 0.00 0.00 0.00 0.00 54.91 54.76 1wj6 h ALA 43 Cb 0.60 -0.21 -0.09 0.00 0.00 0.00 0.00 17.79 18.09 1wj6 h ALA 43 CO -0.15 0.51 -0.18 1.98 0.00 0.00 0.00 179.25 181.40 1wj6 h MET 44 N 0.84 -0.08 -0.03 0.00 1.85 0.13 -0.67 114.93 116.96 1wj6 h MET 44 Ca 0.17 0.01 -0.00 0.00 -0.61 0.00 0.00 59.70 59.26 1wj6 h MET 44 Cb 0.44 0.02 -0.00 0.00 0.43 0.00 0.00 31.60 32.48 1wj6 h MET 44 CO 0.01 -0.06 0.02 0.28 -0.40 0.00 0.00 176.91 176.76 1wj6 h VAL 45 N -0.09 1.08 0.00 -5.77 2.07 -0.66 -0.65 116.25 112.24 1wj6 h VAL 45 Ca 0.22 -0.24 0.00 0.00 0.82 0.00 0.00 66.70 67.50 1wj6 h VAL 45 Cb 0.42 1.19 0.00 0.00 -1.52 0.00 0.00 31.29 31.38 1wj6 h VAL 45 CO -0.51 0.07 0.00 0.29 0.02 0.00 0.00 177.57 177.43 1wj6 n LYS 46 N -5.02 0.00 -0.29 1.57 5.02 -0.51 -0.23 118.16 118.70 1wj6 n LYS 46 Ca -0.07 0.89 0.11 0.00 -2.02 0.00 0.00 58.31 57.22 1wj6 n LYS 46 Cb 0.07 -1.45 0.27 0.00 -0.02 0.00 0.00 35.03 33.90 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 0.49 -1.00 -0.18 -1.51 -1.17 1.89 116.25 114.77 1wj6 h VAL 47 Ca 0.00 -0.13 0.24 0.00 -1.23 0.00 0.00 66.70 65.58 1wj6 h VAL 47 Cb 0.00 0.09 -0.09 0.00 -2.13 0.00 0.00 31.29 29.16 1wj6 h VAL 47 CO 0.00 0.07 0.64 -1.28 -1.23 0.00 0.00 177.57 175.77 1wj6 h SER 48 N 0.37 0.47 -0.07 4.19 0.87 0.10 0.16 113.55 119.64 1wj6 h SER 48 Ca 0.52 0.07 0.00 0.00 -1.23 0.00 0.00 61.79 61.15 1wj6 h SER 48 Cb 0.96 -0.01 0.00 0.00 -0.44 0.00 0.00 62.40 62.91 1wj6 h SER 48 CO -0.53 0.13 0.00 0.49 -0.53 0.00 0.00 176.83 176.40 1wj6 n PHE 49 N -4.60 0.24 -3.23 2.24 3.72 0.28 -5.03 117.46 111.08 1wj6 n PHE 49 Ca 0.23 -0.91 -0.17 0.00 -0.05 0.00 0.00 57.45 56.56 1wj6 n PHE 49 Cb 0.79 -0.18 0.02 0.00 -0.94 0.00 0.00 39.48 39.17 1wj6 n PHE 49 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 1wj6 n ASP 50 N -1.07 -6.44 -3.88 4.37 2.03 0.57 -5.00 116.55 107.14 1wj6 n ASP 50 Ca 0.16 0.30 -0.09 0.00 0.52 0.00 0.00 54.79 55.67 1wj6 n ASP 50 Cb 0.66 -2.39 -0.08 0.00 -0.72 0.00 0.00 41.12 38.58 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 -1.81 1.52 -0.16 -2.67 1.43 -0.85 -4.94 118.68 111.20 1wj6 s LEU 51 Ca 0.18 -0.56 -0.12 0.00 -1.03 0.00 0.00 54.13 52.60 1wj6 s LEU 51 Cb -0.02 0.90 -0.07 0.00 0.03 0.00 0.00 46.19 47.02 1wj6 s LEU 51 CO 0.51 -0.63 -0.06 0.78 0.23 0.00 0.00 176.35 177.18 1wj6 h ASN 52 N 3.14 0.00 -3.36 2.29 4.21 -1.95 -3.40 115.58 116.52 1wj6 h ASN 52 Ca -0.33 -0.14 -0.43 0.00 1.21 0.00 0.00 56.30 56.60 1wj6 h ASN 52 Cb 1.19 0.00 -0.36 0.00 -1.12 0.00 0.00 38.32 38.03 1wj6 h ASN 52 CO 0.53 0.95 -0.77 0.42 -1.29 0.00 0.00 177.43 177.27 1wj6 s THR 53 N -2.26 0.54 0.24 2.81 -4.23 -1.26 -5.06 115.64 106.43 1wj6 s THR 53 Ca -0.18 -0.06 0.07 0.00 -1.18 0.00 0.00 61.69 60.34 1wj6 s THR 53 Cb 0.03 -0.61 -0.05 0.00 1.34 0.00 0.00 72.50 73.21 1wj6 s THR 53 CO 0.32 0.25 -0.10 0.27 -0.54 0.00 0.00 174.62 174.82 1wj6 s ILE 54 N 1.34 1.69 -0.50 2.99 -4.36 -1.26 0.19 121.20 121.29 1wj6 s ILE 54 Ca -0.04 -2.17 0.08 0.00 -0.26 0.00 0.00 60.65 58.25 1wj6 s ILE 54 Cb -0.13 -2.23 0.30 0.00 1.25 0.00 0.00 42.46 41.64 1wj6 s ILE 54 CO -0.02 -0.46 0.75 1.67 0.24 0.00 0.00 174.94 177.12 1wj6 n GLN 55 N -0.47 1.94 -1.03 0.37 -0.06 0.33 -4.49 117.38 113.97 1wj6 n GLN 55 Ca -0.07 -4.09 -0.36 0.00 -2.00 0.00 0.00 57.00 50.48 1wj6 n GLN 55 Cb 0.62 -1.89 0.04 0.00 -4.06 0.00 0.00 30.24 24.95 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 0.54 0.05 -3.66 1.69 5.41 -1.26 -3.54 119.36 118.60 1wj6 n ILE 56 Ca 0.27 -0.47 -0.08 0.00 1.00 0.00 0.00 62.75 63.47 1wj6 n ILE 56 Cb 0.49 -0.07 -0.09 0.00 -0.71 0.00 0.00 39.64 39.26 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 -2.00 0.35 -0.01 0.38 1.02 0.20 -3.77 119.74 115.91 1wj6 s LYS 57 Ca 0.44 1.08 0.01 0.00 0.02 0.00 0.00 55.97 57.52 1wj6 s LYS 57 Cb -0.23 0.39 -0.04 0.00 -0.52 0.00 0.00 37.83 37.43 1wj6 s LYS 57 CO 0.79 -0.25 0.00 1.52 -0.92 0.00 0.00 175.35 176.49 1wj6 s TYR 58 N 2.64 3.09 -0.03 3.18 -0.85 0.21 0.20 117.35 125.78 1wj6 s TYR 58 Ca -0.02 0.10 -0.30 0.00 -0.52 0.00 0.00 57.07 56.33 1wj6 s TYR 58 Cb -0.12 -1.68 -0.03 0.00 0.38 0.00 0.00 41.96 40.51 1wj6 s TYR 58 CO -0.13 0.46 1.03 -0.51 -1.52 0.00 0.00 175.55 174.88 1wj6 s LEU 59 N -1.50 4.32 0.00 -3.49 1.43 -0.71 0.39 118.68 119.12 1wj6 s LEU 59 Ca 0.19 1.66 -0.01 0.00 -1.03 0.00 0.00 54.13 54.94 1wj6 s LEU 59 Cb -0.12 -3.57 0.08 0.00 0.03 0.00 0.00 46.19 42.61 1wj6 s LEU 59 CO 0.10 -0.37 0.50 -0.90 0.23 0.00 0.00 176.35 175.90 1wj6 n ASP 60 N 4.40 0.54 0.22 2.29 5.68 -1.03 -4.76 116.55 123.89 1wj6 n ASP 60 Ca 0.08 -1.49 0.12 0.00 -0.50 0.00 0.00 54.79 52.99 1wj6 n ASP 60 Cb 0.49 -0.34 0.62 0.00 -1.14 0.00 0.00 41.12 40.76 1wj6 n ASP 60 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 1wj6 h GLU 61 N 0.00 0.00 0.00 0.11 5.08 -1.96 1.29 114.58 119.10 1wj6 h GLU 61 Ca -0.16 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.20 1wj6 h GLU 61 Cb 0.58 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.83 1wj6 h GLU 61 CO 0.16 0.00 -0.99 -1.91 -1.00 0.00 0.00 179.01 175.27 1wj6 n GLU 62 N -2.41 0.14 -0.86 2.33 4.07 -1.26 -4.94 120.64 117.72 1wj6 n GLU 62 Ca -0.02 -0.02 0.00 0.00 -0.06 0.00 0.00 57.16 57.07 1wj6 n GLU 62 Cb 0.22 -1.53 0.00 0.00 -0.06 0.00 0.00 31.44 30.07 1wj6 n GLU 62 CO 0.00 0.00 0.00 -1.71 -0.06 0.00 0.00 177.13 175.36 1wj6 n ASN 63 N -1.70 -1.33 -4.72 4.31 5.15 0.44 -5.01 115.26 112.41 1wj6 n ASN 63 Ca 0.03 0.00 -0.41 0.00 -0.60 0.00 0.00 54.58 53.60 1wj6 n ASN 63 Cb 0.38 -0.22 -0.04 0.00 -0.53 0.00 0.00 39.78 39.37 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 -0.14 4.54 0.04 1.20 2.02 -1.26 -4.59 118.70 120.52 1wj6 s GLU 64 Ca 0.00 1.26 -0.31 0.00 0.02 0.00 0.00 54.97 55.94 1wj6 s GLU 64 Cb 0.00 -3.44 -0.10 0.00 0.10 0.00 0.00 34.13 30.69 1wj6 s GLU 64 CO 0.00 0.04 1.90 0.39 0.02 0.00 0.00 175.26 177.61 1wj6 n GLU 65 N 3.63 2.69 -4.00 1.61 1.02 -1.26 -2.48 120.64 121.85 1wj6 n GLU 65 Ca 0.03 0.98 -0.34 0.00 -0.02 0.00 0.00 57.16 57.81 1wj6 n GLU 65 Cb 0.51 -2.89 -0.15 0.00 -0.02 0.00 0.00 31.44 28.89 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 3.73 2.77 -0.23 2.62 1.01 0.16 -4.86 120.40 125.60 1wj6 s VAL 66 Ca 0.87 -0.74 -0.24 0.00 0.00 0.00 0.00 61.98 61.87 1wj6 s VAL 66 Cb -0.51 -2.25 -0.01 0.00 0.00 0.00 0.00 36.38 33.61 1wj6 s VAL 66 CO 0.42 0.44 0.78 -0.94 0.00 0.00 0.00 175.10 175.80 1wj6 s SER 67 N 1.38 6.80 -0.07 3.32 1.04 -1.26 -0.62 113.70 124.29 1wj6 s SER 67 Ca 0.05 0.99 -0.20 0.00 0.48 0.00 0.00 55.95 57.27 1wj6 s SER 67 Cb -0.14 -2.42 -0.04 0.00 0.10 0.00 0.00 66.02 63.52 1wj6 s SER 67 CO -0.07 -0.45 0.56 -0.63 0.98 0.00 0.00 173.24 173.63 1wj6 s ILE 68 N 2.58 5.08 -0.01 -1.02 1.01 -1.25 -4.92 121.20 122.67 1wj6 s ILE 68 Ca 0.33 1.15 0.00 0.00 0.00 0.00 0.00 60.65 62.13 1wj6 s ILE 68 Cb -0.16 -3.90 -0.01 0.00 0.01 0.00 0.00 42.46 38.41 1wj6 s ILE 68 CO 0.09 0.33 -0.01 0.59 0.00 0.00 0.00 174.94 175.94 1wj6 n ASN 69 N 3.43 3.60 -4.64 3.58 3.02 -1.26 -4.79 115.26 118.21 1wj6 n ASN 69 Ca -0.06 -0.00 -0.30 0.00 -0.03 0.00 0.00 54.58 54.19 1wj6 n ASN 69 Cb 0.51 -0.02 -0.09 0.00 -0.61 0.00 0.00 39.78 39.58 1wj6 n ASN 69 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 1wj6 s SER 70 N -4.19 3.82 0.12 6.41 0.01 -1.26 -4.90 113.70 113.71 1wj6 s SER 70 Ca -0.02 -1.56 -0.22 0.00 1.31 0.00 0.00 55.95 55.46 1wj6 s SER 70 Cb 0.00 0.22 -0.07 0.00 0.21 0.00 0.00 66.02 66.38 1wj6 s SER 70 CO 0.03 -0.73 1.70 -0.61 0.41 0.00 0.00 173.24 174.03 1wj6 h GLN 71 N 1.56 -0.12 -0.95 12.44 5.75 -1.98 -2.34 115.11 129.48 1wj6 h GLN 71 Ca -0.43 0.01 0.20 0.00 -0.15 0.00 0.00 58.65 58.28 1wj6 h GLN 71 Cb 1.29 0.03 -0.18 0.00 1.07 0.00 0.00 27.48 29.68 1wj6 h GLN 71 CO 0.74 -0.08 -0.18 0.78 -2.65 0.00 0.00 178.83 177.44 1wj6 h GLY 72 N -0.12 0.79 1.12 2.39 0.00 -1.98 1.72 103.07 106.98 1wj6 h GLY 72 Ca 0.06 0.28 0.01 0.00 0.00 0.00 0.00 47.33 47.68 1wj6 h GLY 72 CO -0.14 -0.39 0.60 0.83 0.00 0.00 0.00 176.54 177.44 1wj6 h GLU 73 N 0.00 1.18 0.06 4.80 5.08 -1.83 -2.66 114.58 121.21 1wj6 h GLU 73 Ca 0.48 -0.07 -0.00 0.00 -1.00 0.00 0.00 59.36 58.77 1wj6 h GLU 73 Cb 0.79 -0.27 0.00 0.00 0.50 0.00 0.00 28.75 29.78 1wj6 h GLU 73 CO -0.96 0.78 -0.03 -0.92 -1.00 0.00 0.00 179.01 176.88 1wj6 h TYR 74 N 1.22 -0.08 -0.46 4.33 3.20 0.22 -3.07 116.97 122.32 1wj6 h TYR 74 Ca 0.33 -0.00 0.04 0.00 3.14 0.00 0.00 58.73 62.24 1wj6 h TYR 74 Cb -0.14 0.03 -0.06 0.00 1.54 0.00 0.00 36.73 38.10 1wj6 h TYR 74 CO -0.00 0.51 -0.27 0.39 -1.64 0.00 0.00 178.16 177.15 1wj6 n GLU 75 N -4.81 -0.20 -0.10 1.82 1.02 0.47 0.78 120.64 119.62 1wj6 n GLU 75 Ca -0.08 1.17 -0.09 0.00 -0.02 0.00 0.00 57.16 58.14 1wj6 n GLU 75 Cb 0.31 -1.74 -0.04 0.00 -0.02 0.00 0.00 31.44 29.95 1wj6 n GLU 75 CO 0.00 0.00 0.00 1.05 1.18 0.00 0.00 177.13 179.36 1wj6 h GLU 76 N 0.00 -0.32 -0.87 3.49 4.11 -1.61 0.28 114.58 119.67 1wj6 h GLU 76 Ca 0.07 0.02 0.20 0.00 0.07 0.00 0.00 59.36 59.73 1wj6 h GLU 76 Cb 0.19 0.07 -0.12 0.00 0.50 0.00 0.00 28.75 29.39 1wj6 h GLU 76 CO -0.43 -0.21 0.36 0.00 0.07 0.00 0.00 179.01 178.79 1wj6 h ALA 77 N 0.50 1.33 -0.43 1.06 0.00 -0.72 1.15 119.26 122.15 1wj6 h ALA 77 Ca 0.14 0.16 -0.04 0.00 0.00 0.00 0.00 54.91 55.16 1wj6 h ALA 77 Cb 0.57 0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.50 1wj6 h ALA 77 CO -0.53 -0.32 0.09 -0.07 0.00 0.00 0.00 179.25 178.42 1wj6 h LEU 78 N 0.39 0.59 -0.45 0.00 3.38 0.36 0.21 115.31 119.80 1wj6 h LEU 78 Ca 0.53 -0.10 -0.10 0.00 0.09 0.00 0.00 57.88 58.31 1wj6 h LEU 78 Cb 0.97 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.55 1wj6 h LEU 78 CO -0.51 0.61 -0.09 0.11 0.09 0.00 0.00 178.44 178.64 1wj6 h LYS 79 N 0.62 0.85 -0.25 1.13 1.57 0.41 -2.84 116.57 118.07 1wj6 h LYS 79 Ca 0.14 -0.32 -0.13 0.00 -1.87 0.00 0.00 60.65 58.48 1wj6 h LYS 79 Cb 0.26 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.51 1wj6 h LYS 79 CO -0.00 0.95 -0.37 1.98 -0.57 0.00 0.00 179.45 181.45 1wj6 h MET 80 N 0.69 0.56 -0.84 3.15 4.05 0.15 -2.91 114.93 119.79 1wj6 h MET 80 Ca 0.12 -0.27 0.10 0.00 -0.28 0.00 0.00 59.70 59.36 1wj6 h MET 80 Cb 0.63 -0.00 -0.07 0.00 -0.80 0.00 0.00 31.60 31.35 1wj6 h MET 80 CO 0.04 0.84 0.49 0.00 0.23 0.00 0.00 176.91 178.51 1wj6 h ALA 81 N 1.13 1.20 -0.68 0.39 0.00 -0.41 0.26 119.26 121.15 1wj6 h ALA 81 Ca 0.05 0.03 0.07 0.00 0.00 0.00 0.00 54.91 55.06 1wj6 h ALA 81 Cb 0.85 -0.14 -0.06 0.00 0.00 0.00 0.00 17.79 18.44 1wj6 h ALA 81 CO 0.07 0.11 0.36 0.28 0.00 0.00 0.00 179.25 180.08 1wj6 h VAL 82 N 0.81 0.92 -0.27 0.00 2.07 -1.30 0.77 116.25 119.26 1wj6 h VAL 82 Ca 0.40 -0.22 0.02 0.00 0.82 0.00 0.00 66.70 67.72 1wj6 h VAL 82 Cb 0.36 0.21 -0.02 0.00 -1.52 0.00 0.00 31.29 30.33 1wj6 h VAL 82 CO -0.25 0.12 0.13 0.11 0.02 0.00 0.00 177.57 177.70 1wj6 h LYS 83 N 0.65 0.27 0.41 1.57 1.57 -0.99 -3.08 116.57 116.96 1wj6 h LYS 83 Ca 0.32 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 59.07 1wj6 h LYS 83 Cb 0.25 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.49 1wj6 h LYS 83 CO -0.21 0.18 -0.33 1.96 -0.57 0.00 0.00 179.45 180.48 1wj6 h GLN 84 N 0.27 -0.68 0.00 3.15 4.20 -0.17 -3.46 115.11 118.43 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 0.04 0.16 0.00 0.00 0.30 0.00 0.00 27.48 27.97 1wj6 h GLN 84 CO -0.08 -0.46 0.00 0.41 -0.67 0.00 0.00 178.83 178.03 1wj6 n GLY 85 N -1.38 0.00 2.42 3.46 0.00 0.10 -4.92 105.19 104.87 1wj6 n GLY 85 Ca -0.09 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.80 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 -4.18 -3.78 1.61 4.13 -0.25 -4.90 115.26 107.89 1wj6 n ASN 86 Ca 0.00 -0.13 -0.11 0.00 1.68 0.00 0.00 54.58 56.03 1wj6 n ASN 86 Cb 0.00 -3.16 -0.07 0.00 -1.54 0.00 0.00 39.78 35.01 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 -5.05 0.80 -0.05 3.52 1.03 -1.16 0.19 119.66 118.94 1wj6 s GLN 87 Ca 0.13 -0.59 -0.04 0.00 0.04 0.00 0.00 55.36 54.90 1wj6 s GLN 87 Cb -0.06 0.34 0.02 0.00 0.03 0.00 0.00 33.01 33.34 1wj6 s GLN 87 CO 0.16 -0.25 0.12 -1.17 -2.54 0.00 0.00 175.29 171.61 1wj6 s LEU 88 N -2.19 1.35 -0.67 2.60 2.96 0.15 -4.36 118.68 118.52 1wj6 s LEU 88 Ca -0.04 0.25 -0.20 0.00 -0.22 0.00 0.00 54.13 53.92 1wj6 s LEU 88 Cb -0.00 0.38 0.10 0.00 0.50 0.00 0.00 46.19 47.17 1wj6 s LEU 88 CO -0.05 -0.07 0.83 -1.10 -1.32 0.00 0.00 176.35 174.65 1wj6 s GLN 89 N 0.35 3.16 0.08 1.98 -0.21 -1.26 0.20 119.66 123.96 1wj6 s GLN 89 Ca -0.02 -1.31 0.03 0.00 0.02 0.00 0.00 55.36 54.07 1wj6 s GLN 89 Cb -0.04 -4.35 -0.04 0.00 1.00 0.00 0.00 33.01 29.58 1wj6 s GLN 89 CO -0.01 -1.63 0.11 -1.64 -2.12 0.00 0.00 175.29 169.99 1wj6 s MET 90 N 2.91 2.99 -0.10 2.91 -1.94 0.50 -1.73 119.30 124.83 1wj6 s MET 90 Ca 0.17 -0.65 0.00 0.00 -1.71 0.00 0.00 55.69 53.51 1wj6 s MET 90 Cb -0.19 -2.79 0.02 0.00 2.01 0.00 0.00 34.83 33.89 1wj6 s MET 90 CO 0.04 0.57 -0.09 -0.65 -0.01 0.00 0.00 175.02 174.88 1wj6 s GLN 91 N -2.44 1.63 0.27 2.03 -0.21 0.52 0.85 119.66 122.31 1wj6 s GLN 91 Ca 0.30 -0.32 -0.29 0.00 0.02 0.00 0.00 55.36 55.07 1wj6 s GLN 91 Cb -0.12 -1.59 -0.09 0.00 1.00 0.00 0.00 33.01 32.21 1wj6 s GLN 91 CO 0.23 -0.20 1.18 0.08 -2.12 0.00 0.00 175.29 174.46 1wj6 s VAL 92 N 1.45 3.31 -0.39 1.09 1.01 -1.12 0.60 120.40 126.35 1wj6 s VAL 92 Ca 0.00 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 0.15 0.00 0.00 0.00 0.00 36.38 32.60 1wj6 s VAL 92 CO -0.06 0.28 0.27 -1.00 0.00 0.00 0.00 175.10 174.59 1wj6 s HIS 93 N -0.87 1.01 0.40 5.22 3.76 -1.23 -4.53 115.29 119.04 1wj6 s HIS 93 Ca 0.48 -1.99 -0.18 0.00 -0.15 0.00 0.00 55.06 53.22 1wj6 s HIS 93 Cb -0.34 -1.01 -0.14 0.00 1.11 0.00 0.00 32.58 32.20 1wj6 s HIS 93 CO 0.43 -0.82 0.01 -1.91 -0.85 0.00 0.00 174.74 171.60 1wj6 n GLU 94 N 3.49 0.00 -0.26 1.40 0.00 -1.26 0.12 120.64 124.13 1wj6 n GLU 94 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.35 1wj6 n GLU 94 Cb 0.41 -0.90 0.00 0.00 0.00 0.00 0.00 31.44 30.95 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 2.17 -2.06 3.58 8.31 0.00 0.50 -4.56 105.19 113.13 1wj6 n GLY 95 Ca 0.09 -0.96 -0.31 0.00 0.00 0.00 0.00 46.02 44.84 1wj6 n GLY 95 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wj6 s SER 96 N -0.19 5.39 0.00 1.61 0.01 -1.26 -3.67 113.70 115.59 1wj6 s SER 96 Ca 0.00 -1.67 0.00 0.00 1.31 0.00 0.00 55.95 55.59 1wj6 s SER 96 Cb 0.00 -2.58 0.00 0.00 0.21 0.00 0.00 66.02 63.65 1wj6 s SER 96 CO 0.00 -2.68 0.00 0.61 0.41 0.00 0.00 173.24 171.58 1wj6 n GLY 97 N 5.91 0.23 0.09 3.44 0.00 -1.26 -4.09 105.19 109.49 1wj6 n GLY 97 Ca 0.45 -1.05 -0.15 0.00 0.00 0.00 0.00 46.02 45.27 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 0.00 0.14 -2.49 1.61 0.13 -1.97 -3.48 132.00 125.93 1wj6 h PRO 98 Ca 0.00 -0.14 -0.07 0.00 -0.87 0.00 0.00 66.00 64.92 1wj6 h PRO 98 Cb 0.00 0.04 -0.18 0.00 0.13 0.00 0.00 31.00 30.98 1wj6 h PRO 98 CO 0.00 0.86 0.03 -1.12 -0.23 0.00 0.00 178.00 177.54 1wj6 s SER 99 N -6.20 -0.48 0.07 1.44 0.01 -1.26 -5.11 113.70 102.17 1wj6 s SER 99 Ca -0.16 0.39 -0.03 0.00 1.31 0.00 0.00 55.95 57.46 1wj6 s SER 99 Cb 0.01 0.47 -0.03 0.00 0.21 0.00 0.00 66.02 66.68 1wj6 s SER 99 CO 0.73 -0.60 0.05 -0.94 0.41 0.00 0.00 173.24 172.88 1wj6 s SER 100 N -1.47 0.36 0.00 2.44 1.04 -1.26 -4.93 113.70 109.89 1wj6 s SER 100 Ca -0.10 -0.91 0.00 0.00 0.48 0.00 0.00 55.95 55.42 1wj6 s SER 100 Cb -0.01 0.25 0.00 0.00 0.10 0.00 0.00 66.02 66.36 1wj6 s SER 100 CO 0.05 -0.65 0.00 0.61 0.98 0.00 0.00 173.24 174.23