#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 -0.17 -0.12 1.61 0.15 -1.26 -5.18 113.70 108.73 1wj6 s SER 2 Ca 0.00 0.28 -0.29 0.00 0.70 0.00 0.00 55.95 56.64 1wj6 s SER 2 Cb 0.00 0.84 0.08 0.00 -1.71 0.00 0.00 66.02 65.23 1wj6 s SER 2 CO 0.00 -0.05 0.75 -0.44 1.20 0.00 0.00 173.24 174.71 1wj6 s SER 3 N 0.81 -0.62 0.00 5.45 0.01 -1.26 -5.09 113.70 113.00 1wj6 s SER 3 Ca -0.04 0.83 0.00 0.00 1.31 0.00 0.00 55.95 58.05 1wj6 s SER 3 Cb -0.03 0.72 0.00 0.00 0.21 0.00 0.00 66.02 66.91 1wj6 s SER 3 CO -0.12 -0.47 0.00 0.61 0.41 0.00 0.00 173.24 173.67 1wj6 n GLY 4 N 1.33 -1.79 3.79 3.44 0.00 -1.26 -5.17 105.19 105.52 1wj6 n GLY 4 Ca -0.16 0.68 -0.29 0.00 0.00 0.00 0.00 46.02 46.25 1wj6 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wj6 s SER 5 N 0.00 5.53 0.04 1.61 0.01 -1.26 -5.12 113.70 114.52 1wj6 s SER 5 Ca 0.00 -0.06 0.08 0.00 1.31 0.00 0.00 55.95 57.28 1wj6 s SER 5 Cb 0.00 -1.47 -0.03 0.00 0.21 0.00 0.00 66.02 64.73 1wj6 s SER 5 CO 0.00 0.12 -0.22 -0.94 0.41 0.00 0.00 173.24 172.61 1wj6 s SER 6 N -2.72 2.68 -0.29 2.44 1.04 -1.26 -5.13 113.70 110.47 1wj6 s SER 6 Ca 0.30 -0.54 -0.09 0.00 0.48 0.00 0.00 55.95 56.10 1wj6 s SER 6 Cb -0.11 -0.23 0.13 0.00 0.10 0.00 0.00 66.02 65.91 1wj6 s SER 6 CO 0.23 0.19 0.62 -0.83 0.98 0.00 0.00 173.24 174.43 1wj6 s GLY 7 N -1.18 -0.72 0.15 7.32 0.00 -1.26 -5.15 107.32 106.49 1wj6 s GLY 7 Ca 0.09 2.19 -0.30 0.00 0.00 0.00 0.00 44.72 46.69 1wj6 s GLY 7 CO 0.02 3.03 1.13 2.56 0.00 0.00 0.00 173.10 179.83 1wj6 s PRO 8 N 2.86 4.55 0.06 2.90 0.04 -1.26 -5.04 135.00 139.11 1wj6 s PRO 8 Ca -0.02 1.74 0.02 0.00 0.04 0.00 0.00 61.00 62.78 1wj6 s PRO 8 Cb -0.12 -3.29 -0.03 0.00 0.04 0.00 0.00 34.50 31.10 1wj6 s PRO 8 CO -0.19 -0.01 -0.07 -3.38 0.04 0.00 0.00 177.00 173.39 1wj6 s HIS 9 N 0.03 0.73 0.37 0.56 -3.43 -1.26 -5.13 115.29 107.16 1wj6 s HIS 9 Ca 0.51 -0.63 -0.27 0.00 -0.80 0.00 0.00 55.06 53.88 1wj6 s HIS 9 Cb -0.30 -0.43 -0.09 0.00 -1.43 0.00 0.00 32.58 30.33 1wj6 s HIS 9 CO 0.34 -0.11 1.26 -1.12 -2.00 0.00 0.00 174.74 173.11 1wj6 s SER 10 N -2.02 6.56 0.59 7.38 0.01 -1.26 -5.03 113.70 119.92 1wj6 s SER 10 Ca -0.03 2.56 0.01 0.00 1.31 0.00 0.00 55.95 59.79 1wj6 s SER 10 Cb -0.05 -2.63 0.05 0.00 0.21 0.00 0.00 66.02 63.59 1wj6 s SER 10 CO -0.01 -0.67 0.82 -0.04 0.41 0.00 0.00 173.24 173.75 1wj6 s MET 11 N -2.07 2.38 0.06 12.44 -1.94 -1.26 -5.13 119.30 123.78 1wj6 s MET 11 Ca 0.54 -0.83 0.01 0.00 -1.71 0.00 0.00 55.69 53.70 1wj6 s MET 11 Cb -0.36 -2.45 -0.03 0.00 2.01 0.00 0.00 34.83 33.99 1wj6 s MET 11 CO 0.47 -0.86 -0.05 -1.83 -0.01 0.00 0.00 175.02 172.73 1wj6 s GLU 12 N -4.85 0.63 -0.07 2.03 -1.05 -1.26 -5.07 118.70 109.06 1wj6 s GLU 12 Ca 0.59 -1.07 -0.27 0.00 -0.15 0.00 0.00 54.97 54.07 1wj6 s GLU 12 Cb -0.09 -0.06 -0.23 0.00 -0.44 0.00 0.00 34.13 33.31 1wj6 s GLU 12 CO 0.40 -0.04 1.03 -1.00 0.95 0.00 0.00 175.26 176.60 1wj6 h PRO 13 N 3.59 0.05 -4.40 -4.83 0.13 -1.89 -3.44 132.00 121.21 1wj6 h PRO 13 Ca -0.35 -0.04 -0.46 0.00 -0.87 0.00 0.00 66.00 64.28 1wj6 h PRO 13 Cb 1.17 0.01 -0.07 0.00 0.13 0.00 0.00 31.00 32.24 1wj6 h PRO 13 CO 0.56 0.78 1.43 1.04 -0.23 0.00 0.00 178.00 181.59 1wj6 n GLN 14 N -4.68 0.00 -3.99 0.86 6.02 -1.19 -4.66 117.38 109.74 1wj6 n GLN 14 Ca -0.09 0.00 -0.33 0.00 -0.01 0.00 0.00 57.00 56.56 1wj6 n GLN 14 Cb 0.39 -1.28 -0.06 0.00 1.02 0.00 0.00 30.24 30.32 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 7.23 5.10 -0.44 5.09 1.01 -0.65 -4.80 120.40 132.93 1wj6 s VAL 15 Ca 1.13 -0.27 -0.15 0.00 0.00 0.00 0.00 61.98 62.70 1wj6 s VAL 15 Cb -1.11 -3.36 0.05 0.00 0.00 0.00 0.00 36.38 31.96 1wj6 s VAL 15 CO 0.44 0.35 0.35 -0.89 0.00 0.00 0.00 175.10 175.34 1wj6 s THR 16 N -1.25 5.24 -0.65 3.92 2.01 0.50 -1.00 115.64 124.40 1wj6 s THR 16 Ca 0.25 -0.86 -0.20 0.00 0.31 0.00 0.00 61.69 61.19 1wj6 s THR 16 Cb -0.12 -4.02 0.09 0.00 0.01 0.00 0.00 72.50 68.46 1wj6 s THR 16 CO 0.16 -0.44 0.84 -0.76 -0.69 0.00 0.00 174.62 173.74 1wj6 s LEU 17 N 1.66 4.98 -0.78 4.42 1.43 -0.59 0.11 118.68 129.90 1wj6 s LEU 17 Ca 0.05 -1.33 -0.24 0.00 -1.03 0.00 0.00 54.13 51.58 1wj6 s LEU 17 Cb -0.22 -2.36 0.06 0.00 0.03 0.00 0.00 46.19 43.71 1wj6 s LEU 17 CO 0.08 -1.24 1.18 0.20 0.23 0.00 0.00 176.35 176.81 1wj6 s ASN 18 N 3.63 6.28 -0.14 2.29 0.01 0.21 -1.44 114.94 125.77 1wj6 s ASN 18 Ca 0.18 -0.99 -0.18 0.00 -0.71 0.00 0.00 52.86 51.15 1wj6 s ASN 18 Cb -0.19 -2.49 -0.04 0.00 0.41 0.00 0.00 41.25 38.93 1wj6 s ASN 18 CO 0.06 -1.56 0.50 -0.69 -1.51 0.00 0.00 177.10 173.90 1wj6 s VAL 19 N 4.68 5.16 -0.36 1.60 1.01 0.61 0.11 120.40 133.21 1wj6 s VAL 19 Ca 0.32 0.97 0.04 0.00 0.00 0.00 0.00 61.98 63.31 1wj6 s VAL 19 Cb -0.09 -3.83 0.10 0.00 0.00 0.00 0.00 36.38 32.56 1wj6 s VAL 19 CO 0.06 0.28 0.08 -0.89 0.00 0.00 0.00 175.10 174.63 1wj6 s THR 20 N 0.93 2.22 -0.47 3.92 2.01 0.17 0.12 115.64 124.54 1wj6 s THR 20 Ca 0.26 -2.42 -0.20 0.00 0.31 0.00 0.00 61.69 59.64 1wj6 s THR 20 Cb -0.15 -2.63 0.04 0.00 0.01 0.00 0.00 72.50 69.77 1wj6 s THR 20 CO 0.10 -0.63 0.62 0.12 -0.69 0.00 0.00 174.62 174.14 1wj6 s PHE 21 N 0.79 3.06 0.00 4.92 5.36 0.48 -2.44 117.98 130.15 1wj6 s PHE 21 Ca 0.12 -0.29 0.00 0.00 -0.96 0.00 0.00 56.93 55.80 1wj6 s PHE 21 Cb -0.20 -3.38 0.00 0.00 -0.34 0.00 0.00 43.02 39.10 1wj6 s PHE 21 CO -0.08 -0.93 0.00 1.63 -1.46 0.00 0.00 175.22 174.38 1wj6 n LYS 22 N 6.18 0.00 0.00 10.12 5.02 -1.26 0.19 118.16 138.41 1wj6 n LYS 22 Ca -0.04 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.25 1wj6 n LYS 22 Cb 0.47 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.48 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 3.45 0.76 -4.78 4.39 5.15 -1.26 -5.02 115.26 117.96 1wj6 n ASN 23 Ca 0.00 -0.92 -0.38 0.00 -0.60 0.00 0.00 54.58 52.68 1wj6 n ASN 23 Cb 0.00 0.12 -0.06 0.00 -0.53 0.00 0.00 39.78 39.31 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 -0.12 4.12 -0.06 1.20 8.01 0.49 -5.08 118.70 127.26 1wj6 s GLU 24 Ca 0.00 0.38 0.05 0.00 0.01 0.00 0.00 54.97 55.41 1wj6 s GLU 24 Cb 0.00 -3.33 -0.01 0.00 -4.31 0.00 0.00 34.13 26.48 1wj6 s GLU 24 CO 0.00 0.44 -0.22 0.42 0.01 0.00 0.00 175.26 175.91 1wj6 s ILE 25 N -0.25 2.33 0.21 -1.63 1.01 -1.26 0.18 121.20 121.79 1wj6 s ILE 25 Ca 0.23 -0.97 -0.02 0.00 0.00 0.00 0.00 60.65 59.90 1wj6 s ILE 25 Cb -0.16 -1.87 -0.03 0.00 0.01 0.00 0.00 42.46 40.41 1wj6 s ILE 25 CO 0.11 0.57 0.18 -1.10 0.00 0.00 0.00 174.94 174.70 1wj6 s GLN 26 N -0.22 1.27 0.00 2.79 -0.21 0.33 -4.99 119.66 118.63 1wj6 s GLN 26 Ca -0.01 -1.60 -0.02 0.00 0.02 0.00 0.00 55.36 53.74 1wj6 s GLN 26 Cb -0.13 0.30 -0.01 0.00 1.00 0.00 0.00 33.01 34.17 1wj6 s GLN 26 CO 0.03 -0.44 0.04 0.45 -2.12 0.00 0.00 175.29 173.26 1wj6 s SER 27 N -3.15 0.09 -0.15 5.90 0.15 -1.25 -0.28 113.70 115.00 1wj6 s SER 27 Ca 0.37 -0.22 -0.04 0.00 0.70 0.00 0.00 55.95 56.76 1wj6 s SER 27 Cb 0.06 0.13 0.06 0.00 -1.71 0.00 0.00 66.02 64.56 1wj6 s SER 27 CO 0.12 -0.22 0.11 -0.36 1.20 0.00 0.00 173.24 174.10 1wj6 s PHE 28 N -0.92 0.07 0.10 3.44 0.40 -0.52 -4.93 117.98 115.62 1wj6 s PHE 28 Ca -0.10 -0.06 -0.30 0.00 -0.60 0.00 0.00 56.93 55.86 1wj6 s PHE 28 Cb -0.06 -0.57 -0.06 0.00 0.51 0.00 0.00 43.02 42.84 1wj6 s PHE 28 CO -0.00 -0.45 1.00 -1.17 0.70 0.00 0.00 175.22 175.29 1wj6 s LEU 29 N 2.19 4.47 -0.40 -0.37 2.96 -1.25 -1.55 118.68 124.72 1wj6 s LEU 29 Ca 0.03 1.83 0.03 0.00 -0.22 0.00 0.00 54.13 55.80 1wj6 s LEU 29 Cb -0.15 -3.59 0.12 0.00 0.50 0.00 0.00 46.19 43.07 1wj6 s LEU 29 CO -0.08 -0.14 0.16 -0.69 -1.32 0.00 0.00 176.35 174.27 1wj6 s VAL 30 N 0.17 1.88 -1.03 1.68 1.01 -0.17 -4.90 120.40 119.05 1wj6 s VAL 30 Ca 0.49 -2.46 0.15 0.00 0.00 0.00 0.00 61.98 60.16 1wj6 s VAL 30 Cb -0.24 -2.36 0.13 0.00 0.00 0.00 0.00 36.38 33.91 1wj6 s VAL 30 CO 0.30 -0.73 1.47 -0.24 0.00 0.00 0.00 175.10 175.90 1wj6 n SER 31 N 3.92 0.00 -3.19 3.32 2.88 -1.26 -1.64 113.62 117.64 1wj6 n SER 31 Ca 0.04 0.47 -0.24 0.00 -1.33 0.00 0.00 58.87 57.82 1wj6 n SER 31 Cb 0.38 -0.49 -0.07 0.00 -0.75 0.00 0.00 64.21 63.28 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 -1.49 0.20 0.00 -3.46 5.75 -1.26 -4.26 116.55 112.04 1wj6 n ASP 32 Ca 0.04 -2.71 0.11 0.00 -0.01 0.00 0.00 54.79 52.21 1wj6 n ASP 32 Cb 0.17 -0.63 0.46 0.00 -1.03 0.00 0.00 41.12 40.09 1wj6 n ASP 32 CO 0.00 0.00 0.00 -0.81 -0.11 0.00 0.00 177.20 176.28 1wj6 n PRO 33 N 1.34 0.01 -0.02 0.11 -0.04 -1.22 -0.15 135.00 135.02 1wj6 n PRO 33 Ca 0.21 0.13 0.03 0.00 -0.04 0.00 0.00 63.50 63.84 1wj6 n PRO 33 Cb 0.54 -1.51 -0.10 0.00 -0.04 0.00 0.00 33.50 32.38 1wj6 n PRO 33 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 1wj6 n GLU 34 N -1.53 0.85 -0.00 0.54 0.28 -1.26 -4.50 120.64 115.01 1wj6 n GLU 34 Ca 0.05 -0.09 -0.14 0.00 -0.16 0.00 0.00 57.16 56.82 1wj6 n GLU 34 Cb 0.26 -1.33 -0.14 0.00 1.43 0.00 0.00 31.44 31.66 1wj6 n GLU 34 CO 0.00 0.00 0.00 -0.97 -0.16 0.00 0.00 177.13 176.00 1wj6 h ASN 35 N 0.00 0.20 -4.44 -1.84 -0.73 -1.90 -3.47 115.58 103.40 1wj6 h ASN 35 Ca -0.10 -0.43 -0.48 0.00 1.87 0.00 0.00 56.30 57.16 1wj6 h ASN 35 Cb 0.96 -0.06 0.10 0.00 0.27 0.00 0.00 38.32 39.58 1wj6 h ASN 35 CO 0.01 1.38 0.38 0.28 -0.37 0.00 0.00 177.43 179.11 1wj6 s THR 36 N -2.58 2.78 0.20 -3.57 -1.32 0.79 -5.08 115.64 106.86 1wj6 s THR 36 Ca -0.12 0.25 0.09 0.00 -1.21 0.00 0.00 61.69 60.71 1wj6 s THR 36 Cb 0.07 -3.16 -0.04 0.00 -1.51 0.00 0.00 72.50 67.86 1wj6 s THR 36 CO 0.80 -0.33 -0.09 0.42 -2.21 0.00 0.00 174.62 173.21 1wj6 s THR 37 N -3.36 3.17 0.23 5.08 -4.23 -1.26 -4.89 115.64 110.38 1wj6 s THR 37 Ca 0.61 -1.75 -0.07 0.00 -1.18 0.00 0.00 61.69 59.29 1wj6 s THR 37 Cb -0.12 -2.60 0.21 0.00 1.34 0.00 0.00 72.50 71.33 1wj6 s THR 37 CO 0.52 -0.17 1.90 -0.25 -0.54 0.00 0.00 174.62 176.07 1wj6 h TRP 38 N 2.71 1.09 -0.99 3.99 -0.00 -1.90 -0.12 115.95 120.73 1wj6 h TRP 38 Ca -0.46 0.03 0.21 0.00 -0.00 0.00 0.00 58.89 58.67 1wj6 h TRP 38 Cb 1.22 -0.37 -0.09 0.00 -0.00 0.00 0.00 29.16 29.91 1wj6 h TRP 38 CO 0.67 0.66 0.62 0.00 -0.00 0.00 0.00 178.44 180.39 1wj6 h ALA 39 N 1.34 1.91 -0.11 2.65 0.00 -1.90 0.64 119.26 123.79 1wj6 h ALA 39 Ca 0.34 0.06 -0.04 0.00 0.00 0.00 0.00 54.91 55.27 1wj6 h ALA 39 Cb -0.08 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.67 1wj6 h ALA 39 CO -0.09 -0.27 -0.09 -0.44 0.00 0.00 0.00 179.25 178.36 1wj6 h ASP 40 N 0.60 0.26 0.66 0.00 3.32 -1.45 -2.51 116.42 117.30 1wj6 h ASP 40 Ca 0.56 -0.46 -0.03 0.00 0.02 0.00 0.00 57.03 57.12 1wj6 h ASP 40 Cb 1.09 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 40.55 1wj6 h ASP 40 CO -0.32 0.67 -0.45 0.40 -1.72 0.00 0.00 179.24 177.82 1wj6 h ILE 41 N -0.15 0.10 -0.81 0.35 1.08 0.02 1.24 117.51 119.34 1wj6 h ILE 41 Ca 0.02 0.00 0.09 0.00 -0.39 0.00 0.00 64.86 64.58 1wj6 h ILE 41 Cb 0.59 0.10 -0.12 0.00 -3.07 0.00 0.00 36.82 34.32 1wj6 h ILE 41 CO 0.02 0.00 -0.53 -0.08 -0.69 0.00 0.00 178.15 176.88 1wj6 h GLU 42 N -1.06 -0.11 0.44 2.37 4.81 0.08 0.28 114.58 121.39 1wj6 h GLU 42 Ca -0.08 0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.13 1wj6 h GLU 42 Cb 0.87 0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.28 1wj6 h GLU 42 CO 0.06 -0.07 -0.21 0.00 -0.73 0.00 0.00 179.01 178.05 1wj6 h ALA 43 N 0.56 -0.60 -1.61 2.92 0.00 -1.26 0.33 119.26 119.60 1wj6 h ALA 43 Ca 0.18 -0.15 0.50 0.00 0.00 0.00 0.00 54.91 55.43 1wj6 h ALA 43 Cb 0.50 0.23 -0.10 0.00 0.00 0.00 0.00 17.79 18.42 1wj6 h ALA 43 CO -0.84 -0.79 1.11 1.98 0.00 0.00 0.00 179.25 180.71 1wj6 h MET 44 N -0.68 0.03 0.01 0.00 1.85 0.32 1.81 114.93 118.27 1wj6 h MET 44 Ca -0.06 -0.00 -0.18 0.00 -0.61 0.00 0.00 59.70 58.85 1wj6 h MET 44 Cb 0.50 -0.01 -0.02 0.00 0.43 0.00 0.00 31.60 32.50 1wj6 h MET 44 CO 0.10 0.02 -0.96 0.28 -0.40 0.00 0.00 176.91 175.95 1wj6 h VAL 45 N 0.03 1.14 -0.83 -5.77 2.07 0.10 -2.72 116.25 110.28 1wj6 h VAL 45 Ca 0.87 -2.24 0.10 0.00 0.82 0.00 0.00 66.70 66.26 1wj6 h VAL 45 Cb 3.13 2.55 -0.08 0.00 -1.52 0.00 0.00 31.29 35.37 1wj6 h VAL 45 CO -0.22 0.41 0.46 0.11 0.02 0.00 0.00 177.57 178.36 1wj6 h LYS 46 N -0.95 0.73 -0.28 1.57 1.57 0.39 0.84 116.57 120.44 1wj6 h LYS 46 Ca -0.26 -0.04 -0.13 0.00 -1.87 0.00 0.00 60.65 58.34 1wj6 h LYS 46 Cb 1.26 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 33.39 1wj6 h LYS 46 CO -0.14 0.48 -0.37 -0.39 -0.57 0.00 0.00 179.45 178.46 1wj6 h VAL 47 N 0.75 1.29 -0.23 0.50 -1.51 0.23 1.88 116.25 119.17 1wj6 h VAL 47 Ca 0.41 -1.53 -0.11 0.00 -1.23 0.00 0.00 66.70 64.24 1wj6 h VAL 47 Cb 0.42 1.48 -0.01 0.00 -2.13 0.00 0.00 31.29 31.05 1wj6 h VAL 47 CO -0.27 0.49 -0.31 0.28 -1.23 0.00 0.00 177.57 176.53 1wj6 h SER 48 N 0.53 0.48 -0.23 4.19 0.02 -0.51 -2.69 113.55 115.33 1wj6 h SER 48 Ca 0.05 -0.18 0.00 0.00 -0.84 0.00 0.00 61.79 60.82 1wj6 h SER 48 Cb 0.88 -0.13 0.00 0.00 0.14 0.00 0.00 62.40 63.29 1wj6 h SER 48 CO 0.08 0.77 0.00 0.49 -1.14 0.00 0.00 176.83 177.02 1wj6 n PHE 49 N -4.08 0.28 -3.46 3.45 3.72 0.27 -4.99 117.46 112.65 1wj6 n PHE 49 Ca -0.01 -0.15 -0.17 0.00 -0.05 0.00 0.00 57.45 57.07 1wj6 n PHE 49 Cb 0.44 -0.00 0.02 0.00 -0.94 0.00 0.00 39.48 39.00 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 1.32 -6.20 -4.36 4.37 2.03 0.55 -5.00 116.55 109.26 1wj6 n ASP 50 Ca 0.16 -0.64 -0.19 0.00 0.52 0.00 0.00 54.79 54.64 1wj6 n ASP 50 Cb 0.56 -3.73 -0.10 0.00 -0.72 0.00 0.00 41.12 37.13 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 -5.07 2.53 -0.19 -2.67 1.43 0.35 -4.99 118.68 110.07 1wj6 s LEU 51 Ca 0.17 -1.05 -0.04 0.00 -1.03 0.00 0.00 54.13 52.17 1wj6 s LEU 51 Cb -0.05 -0.65 -0.10 0.00 0.03 0.00 0.00 46.19 45.41 1wj6 s LEU 51 CO 0.82 -0.21 -0.21 -3.20 0.23 0.00 0.00 176.35 173.78 1wj6 n ASN 52 N -0.41 1.97 -3.87 2.29 5.15 -1.26 -4.58 115.26 114.54 1wj6 n ASN 52 Ca -0.07 0.07 -0.24 0.00 -0.60 0.00 0.00 54.58 53.73 1wj6 n ASN 52 Cb 0.61 -0.44 -0.17 0.00 -0.53 0.00 0.00 39.78 39.25 1wj6 n ASN 52 CO 0.00 0.00 0.00 0.42 1.40 0.00 0.00 177.26 179.08 1wj6 s THR 53 N -2.36 0.77 0.10 -0.44 -4.23 -1.26 -5.08 115.64 103.13 1wj6 s THR 53 Ca -0.26 -0.16 -0.01 0.00 -1.18 0.00 0.00 61.69 60.08 1wj6 s THR 53 Cb 0.09 -0.82 -0.04 0.00 1.34 0.00 0.00 72.50 73.07 1wj6 s THR 53 CO 0.38 0.31 0.02 0.27 -0.54 0.00 0.00 174.62 175.07 1wj6 s ILE 54 N 1.58 0.15 -0.43 2.99 -4.36 -1.26 -1.08 121.20 118.79 1wj6 s ILE 54 Ca 0.01 -1.86 0.09 0.00 -0.26 0.00 0.00 60.65 58.63 1wj6 s ILE 54 Cb -0.13 -1.83 0.31 0.00 1.25 0.00 0.00 42.46 42.06 1wj6 s ILE 54 CO -0.05 -0.68 0.70 1.67 0.24 0.00 0.00 174.94 176.82 1wj6 n GLN 55 N -0.01 1.36 -1.03 0.37 -0.06 0.54 -4.75 117.38 113.80 1wj6 n GLN 55 Ca -0.09 -3.66 -0.33 0.00 -2.00 0.00 0.00 57.00 50.92 1wj6 n GLN 55 Cb 0.63 -1.68 0.02 0.00 -4.06 0.00 0.00 30.24 25.14 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 0.60 0.00 -3.66 1.69 5.41 -1.26 -3.87 119.36 118.27 1wj6 n ILE 56 Ca 0.25 -0.43 -0.07 0.00 1.00 0.00 0.00 62.75 63.49 1wj6 n ILE 56 Cb 0.56 0.00 -0.09 0.00 -0.71 0.00 0.00 39.64 39.40 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 -1.09 0.39 -0.02 0.38 1.02 0.42 -3.70 119.74 117.14 1wj6 s LYS 57 Ca 0.46 1.08 0.02 0.00 0.02 0.00 0.00 55.97 57.55 1wj6 s LYS 57 Cb -0.36 0.37 -0.03 0.00 -0.52 0.00 0.00 37.83 37.29 1wj6 s LYS 57 CO 0.61 -0.23 -0.06 1.52 -0.92 0.00 0.00 175.35 176.27 1wj6 s TYR 58 N 2.47 2.92 -0.06 3.18 -0.85 0.25 0.20 117.35 125.46 1wj6 s TYR 58 Ca -0.04 -0.01 -0.30 0.00 -0.52 0.00 0.00 57.07 56.21 1wj6 s TYR 58 Cb -0.11 -1.65 -0.03 0.00 0.38 0.00 0.00 41.96 40.55 1wj6 s TYR 58 CO -0.14 0.36 1.12 -0.51 -1.52 0.00 0.00 175.55 174.86 1wj6 s LEU 59 N -1.19 4.28 0.00 -3.49 1.43 -0.77 0.17 118.68 119.12 1wj6 s LEU 59 Ca 0.15 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 42.55 1wj6 s LEU 59 CO 0.05 -0.50 0.00 -0.67 0.23 0.00 0.00 176.35 175.46 1wj6 n ASP 60 N 4.91 0.00 -0.50 2.29 -0.08 -0.72 -4.77 116.55 117.67 1wj6 n ASP 60 Ca 0.10 0.00 0.03 0.00 -1.51 0.00 0.00 54.79 53.41 1wj6 n ASP 60 Cb 0.47 0.00 0.10 0.00 2.34 0.00 0.00 41.12 44.03 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 1.62 0.00 -0.67 1.02 -1.26 -2.99 120.64 118.36 1wj6 n GLU 61 Ca 0.00 -0.77 0.00 0.00 -0.02 0.00 0.00 57.16 56.37 1wj6 n GLU 61 Cb 0.00 -1.29 0.00 0.00 -0.02 0.00 0.00 31.44 30.13 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 0.12 0.18 -1.84 3.49 1.02 -1.26 -4.98 120.64 117.38 1wj6 n GLU 62 Ca 0.07 -0.68 -0.09 0.00 -0.02 0.00 0.00 57.16 56.44 1wj6 n GLU 62 Cb 0.26 -0.90 -0.02 0.00 -0.02 0.00 0.00 31.44 30.76 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 -0.12 -3.55 -4.50 1.62 2.85 -1.16 -5.00 115.26 105.40 1wj6 n ASN 63 Ca 0.00 0.08 -0.34 0.00 -0.11 0.00 0.00 54.58 54.21 1wj6 n ASN 63 Cb 0.13 -2.47 -0.12 0.00 1.24 0.00 0.00 39.78 38.56 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 -3.83 3.70 0.11 1.20 2.02 -1.26 -4.84 118.70 115.80 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 -3.05 -0.12 0.00 0.10 0.00 0.00 34.13 31.06 1wj6 s GLU 64 CO 0.00 0.13 1.78 0.39 0.02 0.00 0.00 175.26 177.58 1wj6 n GLU 65 N 3.89 2.57 -4.10 1.61 1.02 -1.26 -1.76 120.64 122.61 1wj6 n GLU 65 Ca -0.17 0.93 -0.32 0.00 -0.02 0.00 0.00 57.16 57.58 1wj6 n GLU 65 Cb 0.52 -2.79 -0.16 0.00 -0.02 0.00 0.00 31.44 28.99 1wj6 n GLU 65 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1wj6 s VAL 66 N 2.36 2.00 0.02 2.62 1.01 0.46 -4.84 120.40 124.02 1wj6 s VAL 66 Ca 0.82 -0.98 -0.19 0.00 0.00 0.00 0.00 61.98 61.63 1wj6 s VAL 66 Cb -0.56 -1.85 -0.06 0.00 0.00 0.00 0.00 36.38 33.91 1wj6 s VAL 66 CO 0.39 0.45 0.55 -0.94 0.00 0.00 0.00 175.10 175.55 1wj6 s SER 67 N 1.30 6.96 -0.15 3.32 1.04 -1.26 0.87 113.70 125.78 1wj6 s SER 67 Ca 0.03 1.14 -0.06 0.00 0.48 0.00 0.00 55.95 57.55 1wj6 s SER 67 Cb -0.14 -2.34 -0.04 0.00 0.10 0.00 0.00 66.02 63.60 1wj6 s SER 67 CO -0.12 0.19 0.05 -0.63 0.98 0.00 0.00 173.24 173.71 1wj6 s ILE 68 N -0.58 4.71 -0.03 -1.02 1.01 -1.24 -4.96 121.20 119.08 1wj6 s ILE 68 Ca 0.29 -0.07 0.00 0.00 0.00 0.00 0.00 60.65 60.87 1wj6 s ILE 68 Cb -0.18 -3.08 -0.02 0.00 0.01 0.00 0.00 42.46 39.19 1wj6 s ILE 68 CO 0.17 0.52 -0.03 0.59 0.00 0.00 0.00 174.94 176.19 1wj6 n ASN 69 N 2.99 3.54 -2.69 3.58 3.02 -1.26 -4.80 115.26 119.64 1wj6 n ASN 69 Ca -0.18 -0.01 -0.08 0.00 -0.03 0.00 0.00 54.58 54.28 1wj6 n ASN 69 Cb 0.53 -0.05 -0.01 0.00 -0.61 0.00 0.00 39.78 39.63 1wj6 n ASN 69 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 1wj6 n SER 70 N -2.63 2.23 0.07 6.41 2.88 -1.26 -4.87 113.62 116.45 1wj6 n SER 70 Ca -0.06 -1.56 -0.10 0.00 -1.33 0.00 0.00 58.87 55.82 1wj6 n SER 70 Cb 0.56 0.08 -0.07 0.00 -0.75 0.00 0.00 64.21 64.03 1wj6 n SER 70 CO 0.00 0.00 0.00 -0.61 -1.23 0.00 0.00 175.04 173.20 1wj6 h GLN 71 N 0.00 -0.25 -0.90 -1.46 5.75 -1.98 -3.16 115.11 113.12 1wj6 h GLN 71 Ca -0.11 0.02 0.18 0.00 -0.15 0.00 0.00 58.65 58.59 1wj6 h GLN 71 Cb 0.33 0.06 -0.17 0.00 1.07 0.00 0.00 27.48 28.76 1wj6 h GLN 71 CO 0.17 0.14 -0.21 0.41 -2.65 0.00 0.00 178.83 176.69 1wj6 n GLY 72 N 0.55 -1.50 0.21 2.39 0.00 -1.26 0.87 105.19 106.45 1wj6 n GLY 72 Ca -0.08 0.96 -0.11 0.00 0.00 0.00 0.00 46.02 46.79 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 -0.25 0.11 1.61 5.08 -1.97 -2.50 114.58 116.67 1wj6 h GLU 73 Ca 0.44 0.02 0.01 0.00 -1.00 0.00 0.00 59.36 58.82 1wj6 h GLU 73 Cb 0.68 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.97 1wj6 h GLU 73 CO -0.92 -0.16 -0.12 -0.92 -1.00 0.00 0.00 179.01 175.88 1wj6 h TYR 74 N -0.26 -0.31 -0.32 4.33 3.20 0.51 -2.73 116.97 121.39 1wj6 h TYR 74 Ca 0.06 0.00 0.03 0.00 3.14 0.00 0.00 58.73 61.96 1wj6 h TYR 74 Cb 0.34 0.12 -0.04 0.00 1.54 0.00 0.00 36.73 38.69 1wj6 h TYR 74 CO -0.23 -0.19 -0.19 0.39 -1.64 0.00 0.00 178.16 176.31 1wj6 n GLU 75 N -5.24 -0.14 -0.29 1.82 1.02 0.12 0.17 120.64 118.10 1wj6 n GLU 75 Ca -0.07 1.15 0.06 0.00 -0.02 0.00 0.00 57.16 58.27 1wj6 n GLU 75 Cb 0.16 -1.70 0.15 0.00 -0.02 0.00 0.00 31.44 30.03 1wj6 n GLU 75 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 1wj6 h GLU 76 N 0.00 0.04 -0.72 3.49 4.39 -1.40 0.92 114.58 121.31 1wj6 h GLU 76 Ca 0.05 -0.00 0.08 0.00 0.34 0.00 0.00 59.36 59.83 1wj6 h GLU 76 Cb 0.13 -0.01 -0.07 0.00 -0.10 0.00 0.00 28.75 28.71 1wj6 h GLU 76 CO -0.30 0.02 0.38 0.00 -1.16 0.00 0.00 179.01 177.95 1wj6 h ALA 77 N 1.81 0.98 -0.54 3.43 0.00 0.04 0.18 119.26 125.15 1wj6 h ALA 77 Ca 0.44 0.04 0.01 0.00 0.00 0.00 0.00 54.91 55.40 1wj6 h ALA 77 Cb 0.75 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.43 1wj6 h ALA 77 CO -0.80 0.01 0.36 -0.07 0.00 0.00 0.00 179.25 178.75 1wj6 h LEU 78 N 0.66 0.61 -1.51 0.00 3.38 0.50 0.17 115.31 119.12 1wj6 h LEU 78 Ca 0.34 -0.01 -0.05 0.00 0.09 0.00 0.00 57.88 58.25 1wj6 h LEU 78 Cb 0.31 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 1wj6 h LEU 78 CO -0.24 0.43 -0.25 0.11 0.09 0.00 0.00 178.44 178.59 1wj6 h LYS 79 N 0.71 0.00 0.23 1.13 1.57 0.13 -2.59 116.57 117.76 1wj6 h LYS 79 Ca 0.20 0.00 -0.33 0.00 -1.87 0.00 0.00 60.65 58.65 1wj6 h LYS 79 Cb -0.04 0.00 0.03 0.00 0.08 0.00 0.00 32.23 32.30 1wj6 h LYS 79 CO -0.05 0.25 -1.48 1.98 -0.57 0.00 0.00 179.45 179.58 1wj6 h MET 80 N 0.00 0.48 -0.97 3.15 4.05 0.12 -3.29 114.93 118.48 1wj6 h MET 80 Ca -0.00 -0.82 0.14 0.00 -0.28 0.00 0.00 59.70 58.74 1wj6 h MET 80 Cb 0.45 0.31 -0.09 0.00 -0.80 0.00 0.00 31.60 31.46 1wj6 h MET 80 CO 0.03 1.39 0.58 0.00 0.23 0.00 0.00 176.91 179.15 1wj6 h ALA 81 N 0.23 1.49 -0.79 0.39 0.00 -0.45 0.21 119.26 120.33 1wj6 h ALA 81 Ca -0.25 0.05 0.06 0.00 0.00 0.00 0.00 54.91 54.77 1wj6 h ALA 81 Cb 2.13 -0.14 -0.06 0.00 0.00 0.00 0.00 17.79 19.73 1wj6 h ALA 81 CO 0.25 0.09 0.48 0.28 0.00 0.00 0.00 179.25 180.36 1wj6 h VAL 82 N 0.86 1.02 -0.32 0.00 2.07 -1.55 0.13 116.25 118.47 1wj6 h VAL 82 Ca 0.51 -0.30 0.01 0.00 0.82 0.00 0.00 66.70 67.73 1wj6 h VAL 82 Cb 0.62 0.07 -0.02 0.00 -1.52 0.00 0.00 31.29 30.43 1wj6 h VAL 82 CO -0.31 0.16 0.20 0.11 0.02 0.00 0.00 177.57 177.75 1wj6 h LYS 83 N 0.88 0.39 0.77 1.57 1.57 -0.71 -3.08 116.57 117.97 1wj6 h LYS 83 Ca 0.35 -0.02 -0.04 0.00 -1.87 0.00 0.00 60.65 59.07 1wj6 h LYS 83 Cb 0.17 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.39 1wj6 h LYS 83 CO -0.17 0.26 -0.44 1.96 -0.57 0.00 0.00 179.45 180.49 1wj6 h GLN 84 N 0.41 -1.08 0.00 3.15 4.20 -0.32 -3.46 115.11 118.00 1wj6 h GLN 84 Ca 0.12 0.07 0.00 0.00 0.06 0.00 0.00 58.65 58.91 1wj6 h GLN 84 Cb -0.02 0.25 0.00 0.00 0.30 0.00 0.00 27.48 28.00 1wj6 h GLN 84 CO -0.04 -0.72 0.00 0.41 -0.67 0.00 0.00 178.83 177.80 1wj6 n GLY 85 N -1.57 0.00 2.24 3.46 0.00 0.27 -4.91 105.19 104.68 1wj6 n GLY 85 Ca -0.14 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.76 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 -3.80 -3.92 1.61 4.13 -0.12 -4.90 115.26 108.27 1wj6 n ASN 86 Ca 0.00 -0.02 -0.09 0.00 1.68 0.00 0.00 54.58 56.15 1wj6 n ASN 86 Cb 0.00 -3.00 -0.09 0.00 -1.54 0.00 0.00 39.78 35.16 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 -4.63 0.67 -0.03 3.52 1.03 -1.11 0.19 119.66 119.30 1wj6 s GLN 87 Ca 0.01 -0.85 -0.02 0.00 0.04 0.00 0.00 55.36 54.54 1wj6 s GLN 87 Cb -0.01 0.27 0.01 0.00 0.03 0.00 0.00 33.01 33.31 1wj6 s GLN 87 CO 0.02 -0.18 0.07 -1.17 -2.54 0.00 0.00 175.29 171.48 1wj6 s LEU 88 N -2.41 1.72 -0.55 2.60 2.96 0.29 -4.23 118.68 119.06 1wj6 s LEU 88 Ca -0.01 0.13 -0.18 0.00 -0.22 0.00 0.00 54.13 53.85 1wj6 s LEU 88 Cb 0.02 0.22 0.09 0.00 0.50 0.00 0.00 46.19 47.02 1wj6 s LEU 88 CO -0.07 -0.03 0.61 -1.10 -1.32 0.00 0.00 176.35 174.44 1wj6 s GLN 89 N 0.08 3.04 0.09 1.98 -1.52 -1.26 0.67 119.66 122.73 1wj6 s GLN 89 Ca -0.00 -1.29 0.05 0.00 -1.95 0.00 0.00 55.36 52.17 1wj6 s GLN 89 Cb -0.01 -4.22 -0.04 0.00 -0.22 0.00 0.00 33.01 28.53 1wj6 s GLN 89 CO -0.00 -1.36 -0.00 -1.64 -0.25 0.00 0.00 175.29 172.03 1wj6 s MET 90 N 2.35 2.54 -0.13 2.91 -1.94 0.30 -1.85 119.30 123.48 1wj6 s MET 90 Ca 0.10 -0.84 -0.00 0.00 -1.71 0.00 0.00 55.69 53.24 1wj6 s MET 90 Cb -0.24 -2.54 0.03 0.00 2.01 0.00 0.00 34.83 34.09 1wj6 s MET 90 CO 0.07 0.54 -0.09 -0.65 -0.01 0.00 0.00 175.02 174.88 1wj6 s GLN 91 N -2.29 1.75 0.23 2.03 -0.21 0.53 0.45 119.66 122.14 1wj6 s GLN 91 Ca 0.26 -0.36 -0.30 0.00 0.02 0.00 0.00 55.36 54.97 1wj6 s GLN 91 Cb -0.12 -1.77 -0.09 0.00 1.00 0.00 0.00 33.01 32.03 1wj6 s GLN 91 CO 0.18 -0.27 1.21 0.08 -2.12 0.00 0.00 175.29 174.37 1wj6 s VAL 92 N 1.64 3.38 -0.30 1.09 1.01 -1.02 -0.43 120.40 125.76 1wj6 s VAL 92 Ca 0.05 1.23 -0.03 0.00 0.00 0.00 0.00 61.98 63.23 1wj6 s VAL 92 Cb -0.13 -3.79 0.10 0.00 0.00 0.00 0.00 36.38 32.57 1wj6 s VAL 92 CO -0.09 0.23 0.13 -1.00 0.00 0.00 0.00 175.10 174.37 1wj6 s HIS 93 N -0.42 0.82 0.56 5.22 3.76 -1.25 -4.28 115.29 119.70 1wj6 s HIS 93 Ca 0.51 -1.24 -0.19 0.00 -0.15 0.00 0.00 55.06 53.99 1wj6 s HIS 93 Cb -0.34 -1.18 -0.07 0.00 1.11 0.00 0.00 32.58 32.10 1wj6 s HIS 93 CO 0.40 -0.84 0.84 0.39 -0.85 0.00 0.00 174.74 174.67 1wj6 n GLU 94 N 4.99 0.84 0.00 1.40 -0.58 -1.26 0.20 120.64 126.23 1wj6 n GLU 94 Ca -0.03 0.32 0.00 0.00 -0.42 0.00 0.00 57.16 57.03 1wj6 n GLU 94 Cb 0.41 -2.00 0.00 0.00 -0.57 0.00 0.00 31.44 29.28 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 0.16 2.96 0.62 0.00 -0.24 -4.69 105.19 105.43 1wj6 n GLY 95 Ca 0.12 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.85 1.29 -0.30 1.61 0.01 -1.26 -5.04 113.70 109.16 1wj6 s SER 96 Ca 0.00 -0.20 -0.01 0.00 1.31 0.00 0.00 55.95 57.05 1wj6 s SER 96 Cb 0.00 -0.56 0.19 0.00 0.21 0.00 0.00 66.02 65.86 1wj6 s SER 96 CO 0.00 0.00 0.61 -0.83 0.41 0.00 0.00 173.24 173.43 1wj6 s GLY 97 N 0.66 -1.00 0.04 3.44 0.00 -1.26 -4.69 107.32 104.51 1wj6 s GLY 97 Ca -0.11 1.83 -0.17 0.00 0.00 0.00 0.00 44.72 46.26 1wj6 s GLY 97 CO 0.02 3.40 1.17 -0.56 0.00 0.00 0.00 173.10 177.13 1wj6 h PRO 98 N 8.00 0.54 -6.20 2.90 0.13 -2.05 -3.42 132.00 131.91 1wj6 h PRO 98 Ca -0.22 -0.53 -0.56 0.00 -0.87 0.00 0.00 66.00 63.83 1wj6 h PRO 98 Cb 1.16 0.14 -0.03 0.00 0.13 0.00 0.00 31.00 32.40 1wj6 h PRO 98 CO 0.25 1.16 1.30 -1.12 -0.23 0.00 0.00 178.00 179.35 1wj6 s SER 99 N -6.89 5.73 0.22 1.44 0.01 -1.26 -4.96 113.70 107.99 1wj6 s SER 99 Ca -0.12 1.10 -0.28 0.00 1.31 0.00 0.00 55.95 57.96 1wj6 s SER 99 Cb 0.05 -2.53 -0.09 0.00 0.21 0.00 0.00 66.02 63.67 1wj6 s SER 99 CO 0.85 -1.87 0.88 -0.44 0.41 0.00 0.00 173.24 173.07 1wj6 s SER 100 N 6.64 7.54 0.00 2.44 0.01 -1.26 -5.08 113.70 123.99 1wj6 s SER 100 Ca 0.78 1.83 0.28 0.00 1.31 0.00 0.00 55.95 60.15 1wj6 s SER 100 Cb -0.20 -2.57 1.03 0.00 0.21 0.00 0.00 66.02 64.49 1wj6 s SER 100 CO 0.31 0.17 1.74 0.61 0.41 0.00 0.00 173.24 176.47