#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 -0.05 -0.26 1.61 0.01 -1.26 -5.14 113.70 108.61 1wj6 s SER 2 Ca 0.00 0.02 -0.02 0.00 1.31 0.00 0.00 55.95 57.26 1wj6 s SER 2 Cb 0.00 0.05 0.08 0.00 0.21 0.00 0.00 66.02 66.36 1wj6 s SER 2 CO 0.00 -0.07 0.07 -0.55 0.41 0.00 0.00 173.24 173.10 1wj6 s SER 3 N -1.78 3.54 0.00 2.44 0.15 -1.26 -5.07 113.70 111.72 1wj6 s SER 3 Ca 0.10 -1.27 0.00 0.00 0.70 0.00 0.00 55.95 55.48 1wj6 s SER 3 Cb -0.01 -0.70 0.00 0.00 -1.71 0.00 0.00 66.02 63.60 1wj6 s SER 3 CO -0.04 -0.37 0.00 0.61 1.20 0.00 0.00 173.24 174.64 1wj6 n GLY 4 N 4.98 0.48 2.43 9.45 0.00 -1.26 -5.11 105.19 116.16 1wj6 n GLY 4 Ca -0.05 -1.83 -0.02 0.00 0.00 0.00 0.00 46.02 44.12 1wj6 n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1wj6 n SER 5 N 0.00 -4.52 -3.64 1.61 7.64 -1.26 -5.08 113.62 108.37 1wj6 n SER 5 Ca 0.00 1.12 -0.07 0.00 1.01 0.00 0.00 58.87 60.94 1wj6 n SER 5 Cb 0.00 -4.44 -0.07 0.00 -1.01 0.00 0.00 64.21 58.69 1wj6 n SER 5 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1wj6 s SER 6 N -1.02 -0.65 0.00 6.43 0.15 -1.26 -5.06 113.70 112.30 1wj6 s SER 6 Ca -0.09 1.10 0.00 0.00 0.70 0.00 0.00 55.95 57.66 1wj6 s SER 6 Cb 0.01 1.21 0.00 0.00 -1.71 0.00 0.00 66.02 65.53 1wj6 s SER 6 CO 0.63 -0.18 0.00 0.61 1.20 0.00 0.00 173.24 175.50 1wj6 n GLY 7 N 3.42 -1.39 3.82 9.45 0.00 -1.26 -5.15 105.19 114.08 1wj6 n GLY 7 Ca -0.17 0.52 -0.31 0.00 0.00 0.00 0.00 46.02 46.06 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 2.73 0.43 1.61 0.04 -1.26 -5.08 135.00 133.47 1wj6 s PRO 8 Ca 0.00 0.88 0.04 0.00 0.04 0.00 0.00 61.00 61.95 1wj6 s PRO 8 Cb 0.00 -1.97 -0.04 0.00 0.04 0.00 0.00 34.50 32.53 1wj6 s PRO 8 CO 0.00 -1.23 0.04 -1.01 0.04 0.00 0.00 177.00 174.84 1wj6 s HIS 9 N -3.07 2.03 1.30 0.56 3.76 -1.26 -5.14 115.29 113.47 1wj6 s HIS 9 Ca 0.59 -0.95 -0.17 0.00 -0.15 0.00 0.00 55.06 54.37 1wj6 s HIS 9 Cb -0.14 -1.51 0.33 0.00 1.11 0.00 0.00 32.58 32.37 1wj6 s HIS 9 CO 0.55 0.14 0.91 0.45 -0.85 0.00 0.00 174.74 175.94 1wj6 n SER 10 N -1.11 -2.80 -4.72 1.40 2.88 -1.26 -4.99 113.62 103.02 1wj6 n SER 10 Ca -0.10 -0.46 -0.35 0.00 -1.33 0.00 0.00 58.87 56.63 1wj6 n SER 10 Cb 0.67 -1.14 -0.08 0.00 -0.75 0.00 0.00 64.21 62.90 1wj6 n SER 10 CO 0.00 0.00 0.00 -0.04 -1.23 0.00 0.00 175.04 173.77 1wj6 s MET 11 N -4.58 3.85 0.16 -1.46 -1.94 -1.26 -5.06 119.30 109.01 1wj6 s MET 11 Ca 0.67 -0.27 -0.09 0.00 -1.71 0.00 0.00 55.69 54.29 1wj6 s MET 11 Cb -0.20 -3.23 -0.01 0.00 2.01 0.00 0.00 34.83 33.40 1wj6 s MET 11 CO 0.62 0.42 0.28 -1.21 -0.01 0.00 0.00 175.02 175.13 1wj6 s GLU 12 N -0.03 1.14 -0.04 2.03 2.02 -1.26 -5.07 118.70 117.49 1wj6 s GLU 12 Ca 0.08 -1.16 -0.24 0.00 0.02 0.00 0.00 54.97 53.67 1wj6 s GLU 12 Cb -0.12 0.38 -0.23 0.00 0.10 0.00 0.00 34.13 34.26 1wj6 s GLU 12 CO 0.00 -0.42 1.06 -1.00 0.02 0.00 0.00 175.26 174.93 1wj6 h PRO 13 N 2.55 0.18 -4.65 0.39 0.13 -1.90 -3.44 132.00 125.26 1wj6 h PRO 13 Ca -0.32 -0.17 -0.48 0.00 -0.87 0.00 0.00 66.00 64.16 1wj6 h PRO 13 Cb 1.23 0.05 -0.08 0.00 0.13 0.00 0.00 31.00 32.32 1wj6 h PRO 13 CO 0.48 0.88 1.58 1.04 -0.23 0.00 0.00 178.00 181.76 1wj6 n GLN 14 N -4.53 0.00 -3.92 0.86 6.02 -1.20 -4.68 117.38 109.93 1wj6 n GLN 14 Ca -0.09 0.00 -0.31 0.00 -0.01 0.00 0.00 57.00 56.58 1wj6 n GLN 14 Cb 0.48 -1.38 -0.04 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 8.06 5.40 -0.41 5.09 1.01 -0.62 -4.81 120.40 134.11 1wj6 s VAL 15 Ca 1.24 -0.35 -0.12 0.00 0.00 0.00 0.00 61.98 62.75 1wj6 s VAL 15 Cb -1.17 -3.61 0.04 0.00 0.00 0.00 0.00 36.38 31.64 1wj6 s VAL 15 CO 0.46 0.17 0.27 -0.89 0.00 0.00 0.00 175.10 175.11 1wj6 s THR 16 N -1.47 4.76 -0.62 3.92 2.01 0.48 -0.86 115.64 123.86 1wj6 s THR 16 Ca 0.34 -0.96 -0.20 0.00 0.31 0.00 0.00 61.69 61.18 1wj6 s THR 16 Cb -0.13 -3.74 0.10 0.00 0.01 0.00 0.00 72.50 68.74 1wj6 s THR 16 CO 0.26 -0.36 0.78 -0.76 -0.69 0.00 0.00 174.62 173.85 1wj6 s LEU 17 N 1.57 5.19 -0.58 4.42 1.43 -0.38 0.10 118.68 130.44 1wj6 s LEU 17 Ca 0.03 -1.39 -0.24 0.00 -1.03 0.00 0.00 54.13 51.51 1wj6 s LEU 17 Cb -0.21 -2.33 0.05 0.00 0.03 0.00 0.00 46.19 43.73 1wj6 s LEU 17 CO 0.07 -1.18 0.94 0.20 0.23 0.00 0.00 176.35 176.61 1wj6 s ASN 18 N 3.62 6.29 -0.22 2.29 0.01 0.15 -0.46 114.94 126.62 1wj6 s ASN 18 Ca 0.15 -0.51 -0.13 0.00 -0.71 0.00 0.00 52.86 51.66 1wj6 s ASN 18 Cb -0.22 -2.43 -0.05 0.00 0.41 0.00 0.00 41.25 38.97 1wj6 s ASN 18 CO 0.06 -1.28 0.26 -0.69 -1.51 0.00 0.00 177.10 173.95 1wj6 s VAL 19 N 3.98 5.29 -0.36 1.60 1.01 0.17 0.18 120.40 132.28 1wj6 s VAL 19 Ca 0.28 0.42 0.04 0.00 0.00 0.00 0.00 61.98 62.72 1wj6 s VAL 19 Cb -0.14 -3.60 0.10 0.00 0.00 0.00 0.00 36.38 32.75 1wj6 s VAL 19 CO 0.17 0.32 0.07 -0.89 0.00 0.00 0.00 175.10 174.77 1wj6 s THR 20 N 1.08 2.33 -0.18 3.92 2.01 0.99 0.17 115.64 125.97 1wj6 s THR 20 Ca 0.13 -2.44 -0.11 0.00 0.31 0.00 0.00 61.69 59.58 1wj6 s THR 20 Cb -0.14 -2.71 -0.05 0.00 0.01 0.00 0.00 72.50 69.61 1wj6 s THR 20 CO 0.05 -0.62 0.19 0.12 -0.69 0.00 0.00 174.62 173.67 1wj6 s PHE 21 N 0.79 3.44 0.00 4.92 5.36 -0.34 -3.34 117.98 128.80 1wj6 s PHE 21 Ca 0.12 0.43 0.00 0.00 -0.96 0.00 0.00 56.93 56.52 1wj6 s PHE 21 Cb -0.20 -2.22 0.00 0.00 -0.34 0.00 0.00 43.02 40.26 1wj6 s PHE 21 CO -0.07 0.29 0.00 1.63 -1.46 0.00 0.00 175.22 175.61 1wj6 n LYS 22 N 3.48 0.00 0.00 10.12 4.76 -1.26 0.24 118.16 135.50 1wj6 n LYS 22 Ca -0.15 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.29 1wj6 n LYS 22 Cb 0.52 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.71 1wj6 n LYS 22 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 1wj6 n ASN 23 N 2.89 0.66 -4.94 4.39 2.85 -1.26 -5.07 115.26 114.77 1wj6 n ASN 23 Ca 0.00 -1.28 -0.24 0.00 -0.11 0.00 0.00 54.58 52.96 1wj6 n ASN 23 Cb 0.00 0.00 -0.01 0.00 1.24 0.00 0.00 39.78 41.01 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 -0.28 3.47 -0.02 1.20 2.02 0.67 -5.11 118.70 120.66 1wj6 s GLU 24 Ca 0.00 -0.38 0.01 0.00 0.02 0.00 0.00 54.97 54.62 1wj6 s GLU 24 Cb 0.00 -2.68 0.01 0.00 0.10 0.00 0.00 34.13 31.56 1wj6 s GLU 24 CO 0.00 0.17 -0.03 0.42 0.02 0.00 0.00 175.26 175.85 1wj6 s ILE 25 N -2.29 0.29 0.14 -1.63 1.01 -1.26 -1.20 121.20 116.27 1wj6 s ILE 25 Ca 0.39 -0.07 -0.00 0.00 0.00 0.00 0.00 60.65 60.98 1wj6 s ILE 25 Cb -0.10 -0.31 -0.04 0.00 0.01 0.00 0.00 42.46 42.02 1wj6 s ILE 25 CO 0.35 0.13 0.03 -1.10 0.00 0.00 0.00 174.94 174.36 1wj6 s GLN 26 N 0.46 0.96 -0.03 2.79 -0.21 0.44 -4.97 119.66 119.11 1wj6 s GLN 26 Ca -0.05 -1.45 -0.01 0.00 0.02 0.00 0.00 55.36 53.87 1wj6 s GLN 26 Cb -0.08 0.09 0.03 0.00 1.00 0.00 0.00 33.01 34.05 1wj6 s GLN 26 CO -0.01 -0.21 0.05 0.45 -2.12 0.00 0.00 175.29 173.45 1wj6 s SER 27 N -3.08 0.12 -0.21 5.90 0.15 -1.25 0.45 113.70 115.79 1wj6 s SER 27 Ca 0.23 0.08 0.01 0.00 0.70 0.00 0.00 55.95 56.96 1wj6 s SER 27 Cb 0.07 -0.04 0.05 0.00 -1.71 0.00 0.00 66.02 64.39 1wj6 s SER 27 CO 0.02 -0.14 -0.08 -0.36 1.20 0.00 0.00 173.24 173.88 1wj6 s PHE 28 N 1.17 2.35 0.24 3.44 0.08 0.39 -4.91 117.98 120.75 1wj6 s PHE 28 Ca -0.08 -1.62 -0.30 0.00 0.12 0.00 0.00 56.93 55.05 1wj6 s PHE 28 Cb -0.13 -1.59 -0.09 0.00 -0.57 0.00 0.00 43.02 40.65 1wj6 s PHE 28 CO -0.03 -0.75 1.02 -1.17 -0.10 0.00 0.00 175.22 174.19 1wj6 s LEU 29 N 1.41 4.58 -0.37 -0.37 2.96 -1.26 -1.25 118.68 124.39 1wj6 s LEU 29 Ca -0.03 2.09 0.01 0.00 -0.22 0.00 0.00 54.13 55.98 1wj6 s LEU 29 Cb -0.17 -3.61 0.11 0.00 0.50 0.00 0.00 46.19 43.02 1wj6 s LEU 29 CO -0.07 -0.02 0.15 -0.69 -1.32 0.00 0.00 176.35 174.40 1wj6 s VAL 30 N -1.00 1.37 0.23 1.68 1.01 -0.04 -4.91 120.40 118.74 1wj6 s VAL 30 Ca 0.44 -2.07 0.35 0.00 0.00 0.00 0.00 61.98 60.70 1wj6 s VAL 30 Cb -0.29 -2.00 0.40 0.00 0.00 0.00 0.00 36.38 34.49 1wj6 s VAL 30 CO 0.36 -0.75 2.06 -1.28 0.00 0.00 0.00 175.10 175.49 1wj6 h SER 31 N 7.43 0.00 -2.08 3.32 0.87 -1.86 -1.64 113.55 119.58 1wj6 h SER 31 Ca -0.07 0.00 -0.57 0.00 -1.23 0.00 0.00 61.79 59.92 1wj6 h SER 31 Cb 0.98 0.00 -0.40 0.00 -0.44 0.00 0.00 62.40 62.54 1wj6 h SER 31 CO 0.49 0.01 -0.95 0.47 -0.53 0.00 0.00 176.83 176.33 1wj6 n ASP 32 N -3.12 1.24 0.00 6.23 8.00 -1.26 -4.14 116.55 123.50 1wj6 n ASP 32 Ca -0.00 -2.91 0.10 0.00 0.71 0.00 0.00 54.79 52.69 1wj6 n ASP 32 Cb 0.26 -0.65 0.46 0.00 -0.02 0.00 0.00 41.12 41.18 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 1.29 0.00 -0.03 -0.24 -0.04 -1.23 -0.67 135.00 134.08 1wj6 n PRO 33 Ca 0.24 0.13 0.06 0.00 -0.04 0.00 0.00 63.50 63.89 1wj6 n PRO 33 Cb 0.49 -1.50 -0.16 0.00 -0.04 0.00 0.00 33.50 32.29 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 -1.50 0.67 -0.10 0.54 0.28 -1.26 -4.50 120.64 114.77 1wj6 n GLU 34 Ca 0.05 -0.16 -0.22 0.00 -0.16 0.00 0.00 57.16 56.68 1wj6 n GLU 34 Cb 0.25 -1.50 -0.12 0.00 1.43 0.00 0.00 31.44 31.51 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 0.03 -4.12 -1.84 -1.24 -1.89 -3.47 115.58 103.05 1wj6 h ASN 35 Ca -0.11 -0.54 -0.51 0.00 0.71 0.00 0.00 56.30 55.86 1wj6 h ASN 35 Cb 1.22 -0.01 0.20 0.00 0.73 0.00 0.00 38.32 40.46 1wj6 h ASN 35 CO 0.01 1.52 0.19 0.28 -1.29 0.00 0.00 177.43 178.14 1wj6 s THR 36 N -2.38 2.05 0.16 -3.57 -1.32 0.15 -5.03 115.64 105.71 1wj6 s THR 36 Ca -0.28 0.02 0.08 0.00 -1.21 0.00 0.00 61.69 60.29 1wj6 s THR 36 Cb 0.06 -2.04 -0.04 0.00 -1.51 0.00 0.00 72.50 68.97 1wj6 s THR 36 CO 0.60 -0.02 -0.05 0.42 -2.21 0.00 0.00 174.62 173.37 1wj6 s THR 37 N -2.62 3.51 0.36 5.08 -4.23 -1.26 -4.90 115.64 111.58 1wj6 s THR 37 Ca 0.67 -1.46 0.09 0.00 -1.18 0.00 0.00 61.69 59.80 1wj6 s THR 37 Cb -0.23 -2.73 0.32 0.00 1.34 0.00 0.00 72.50 71.19 1wj6 s THR 37 CO 0.59 -0.07 1.90 -0.25 -0.54 0.00 0.00 174.62 176.25 1wj6 h TRP 38 N 2.93 0.77 -0.96 3.99 -0.00 -1.90 0.30 115.95 121.08 1wj6 h TRP 38 Ca -0.47 0.02 0.07 0.00 -0.00 0.00 0.00 58.89 58.51 1wj6 h TRP 38 Cb 1.20 -0.25 -0.07 0.00 -0.00 0.00 0.00 29.16 30.04 1wj6 h TRP 38 CO 0.63 0.32 0.62 0.00 -0.00 0.00 0.00 178.44 180.01 1wj6 h ALA 39 N 1.60 1.34 -0.57 2.65 0.00 -1.93 0.57 119.26 122.92 1wj6 h ALA 39 Ca 0.40 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 55.23 1wj6 h ALA 39 Cb 0.60 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 1wj6 h ALA 39 CO -0.17 0.38 0.07 -0.44 0.00 0.00 0.00 179.25 179.10 1wj6 h ASP 40 N 1.11 0.88 0.54 0.00 3.32 -0.83 -2.40 116.42 119.04 1wj6 h ASP 40 Ca 0.42 -0.20 -0.03 0.00 0.02 0.00 0.00 57.03 57.25 1wj6 h ASP 40 Cb 0.19 -0.23 0.01 0.00 0.22 0.00 0.00 39.33 39.51 1wj6 h ASP 40 CO -0.18 0.90 -0.26 0.40 -1.72 0.00 0.00 179.24 178.38 1wj6 h ILE 41 N 0.87 0.12 -0.51 0.35 1.08 -0.23 -1.82 117.51 117.36 1wj6 h ILE 41 Ca 0.17 -0.47 0.05 0.00 -0.39 0.00 0.00 64.86 64.22 1wj6 h ILE 41 Cb 0.41 0.18 -0.06 0.00 -3.07 0.00 0.00 36.82 34.28 1wj6 h ILE 41 CO 0.01 0.02 -0.30 1.21 -0.69 0.00 0.00 178.15 178.40 1wj6 n GLU 42 N -5.27 -0.22 -0.01 2.37 2.13 0.18 -0.64 120.64 119.18 1wj6 n GLU 42 Ca -0.10 1.21 -0.13 0.00 0.66 0.00 0.00 57.16 58.80 1wj6 n GLU 42 Cb 0.31 -1.79 -0.07 0.00 0.27 0.00 0.00 31.44 30.16 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 -0.18 -0.68 -0.33 4.31 0.00 -1.52 0.30 119.26 121.16 1wj6 h ALA 43 Ca 0.08 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 55.00 1wj6 h ALA 43 Cb 0.21 0.87 -0.04 0.00 0.00 0.00 0.00 17.79 18.83 1wj6 h ALA 43 CO -0.48 -0.98 -0.19 -0.12 0.00 0.00 0.00 179.25 177.48 1wj6 n MET 44 N -5.44 -0.14 -0.19 0.00 0.00 0.19 0.15 117.12 111.70 1wj6 n MET 44 Ca -0.05 1.07 -0.01 0.00 -0.00 0.00 0.00 57.70 58.71 1wj6 n MET 44 Cb 0.37 -1.59 0.09 0.00 0.00 0.00 0.00 33.22 32.09 1wj6 n MET 44 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 175.97 176.25 1wj6 h VAL 45 N 0.00 0.76 0.00 1.12 2.07 -0.51 1.45 116.25 121.14 1wj6 h VAL 45 Ca 0.05 -0.12 0.00 0.00 0.82 0.00 0.00 66.70 67.45 1wj6 h VAL 45 Cb 0.13 0.38 0.00 0.00 -1.52 0.00 0.00 31.29 30.28 1wj6 h VAL 45 CO -0.31 0.06 0.00 0.29 0.02 0.00 0.00 177.57 177.64 1wj6 n LYS 46 N -5.03 0.00 -0.26 1.57 5.02 0.14 -0.20 118.16 119.40 1wj6 n LYS 46 Ca 0.07 0.66 0.05 0.00 -2.02 0.00 0.00 58.31 57.07 1wj6 n LYS 46 Cb 0.26 -1.48 0.18 0.00 -0.02 0.00 0.00 35.03 33.97 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 0.70 -0.91 -0.18 -1.51 0.16 1.58 116.25 116.09 1wj6 h VAL 47 Ca 0.00 -0.17 0.23 0.00 -1.23 0.00 0.00 66.70 65.53 1wj6 h VAL 47 Cb 0.00 0.16 -0.06 0.00 -2.13 0.00 0.00 31.29 29.27 1wj6 h VAL 47 CO 0.00 0.09 0.62 0.28 -1.23 0.00 0.00 177.57 177.33 1wj6 h SER 48 N 0.50 0.24 -0.14 4.19 0.02 0.25 0.31 113.55 118.91 1wj6 h SER 48 Ca 0.41 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 61.39 1wj6 h SER 48 Cb 0.58 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.11 1wj6 h SER 48 CO -0.37 0.08 0.00 0.49 -1.14 0.00 0.00 176.83 175.89 1wj6 n PHE 49 N -4.42 0.34 -3.42 3.45 3.01 0.16 -5.02 117.46 111.55 1wj6 n PHE 49 Ca 0.19 -0.72 -0.30 0.00 1.01 0.00 0.00 57.45 57.64 1wj6 n PHE 49 Cb 0.83 -0.13 0.03 0.00 -0.01 0.00 0.00 39.48 40.19 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 -0.51 -5.92 -4.00 4.37 2.03 0.49 -4.99 116.55 108.02 1wj6 n ASP 50 Ca 0.12 -0.18 -0.11 0.00 0.52 0.00 0.00 54.79 55.14 1wj6 n ASP 50 Cb 0.55 -2.47 -0.12 0.00 -0.72 0.00 0.00 41.12 38.36 1wj6 n ASP 50 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1wj6 s LEU 51 N -2.99 2.20 -0.19 -2.67 1.43 -0.57 -4.95 118.68 110.95 1wj6 s LEU 51 Ca 0.28 -0.44 -0.22 0.00 -1.03 0.00 0.00 54.13 52.72 1wj6 s LEU 51 Cb -0.04 -0.04 -0.19 0.00 0.03 0.00 0.00 46.19 45.95 1wj6 s LEU 51 CO 0.86 -0.20 0.30 -1.13 0.23 0.00 0.00 176.35 176.40 1wj6 h ASN 52 N 4.85 0.00 -3.39 2.29 -1.24 -1.94 -3.40 115.58 112.75 1wj6 h ASN 52 Ca -0.32 -0.56 -0.46 0.00 0.71 0.00 0.00 56.30 55.66 1wj6 h ASN 52 Cb 1.21 0.00 -0.34 0.00 0.73 0.00 0.00 38.32 39.91 1wj6 h ASN 52 CO 0.43 1.30 -0.79 0.42 -1.29 0.00 0.00 177.43 177.50 1wj6 s THR 53 N -2.30 0.80 0.10 -3.57 -4.23 -1.26 -5.05 115.64 100.13 1wj6 s THR 53 Ca -0.25 -0.26 0.00 0.00 -1.18 0.00 0.00 61.69 60.01 1wj6 s THR 53 Cb 0.04 -0.79 -0.04 0.00 1.34 0.00 0.00 72.50 73.04 1wj6 s THR 53 CO 0.57 0.29 -0.01 0.27 -0.54 0.00 0.00 174.62 175.20 1wj6 s ILE 54 N 1.00 0.40 -0.44 2.99 -4.36 -1.26 0.12 121.20 119.65 1wj6 s ILE 54 Ca -0.09 -1.90 0.09 0.00 -0.26 0.00 0.00 60.65 58.49 1wj6 s ILE 54 Cb -0.14 -1.79 0.30 0.00 1.25 0.00 0.00 42.46 42.08 1wj6 s ILE 54 CO -0.00 -0.75 0.70 1.67 0.24 0.00 0.00 174.94 176.80 1wj6 n GLN 55 N -0.04 1.44 -1.05 0.37 -0.06 0.50 -4.65 117.38 113.90 1wj6 n GLN 55 Ca -0.10 -3.73 -0.35 0.00 -2.00 0.00 0.00 57.00 50.83 1wj6 n GLN 55 Cb 0.62 -1.70 0.02 0.00 -4.06 0.00 0.00 30.24 25.12 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 0.64 0.00 -3.66 1.69 5.41 -1.26 -3.72 119.36 118.46 1wj6 n ILE 56 Ca 0.25 -0.46 -0.08 0.00 1.00 0.00 0.00 62.75 63.47 1wj6 n ILE 56 Cb 0.54 0.00 -0.09 0.00 -0.71 0.00 0.00 39.64 39.38 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 -1.29 0.38 -0.00 0.38 1.02 0.21 -3.76 119.74 116.68 1wj6 s LYS 57 Ca 0.46 1.06 0.03 0.00 0.02 0.00 0.00 55.97 57.53 1wj6 s LYS 57 Cb -0.34 0.35 -0.03 0.00 -0.52 0.00 0.00 37.83 37.29 1wj6 s LYS 57 CO 0.67 -0.23 -0.05 1.52 -0.92 0.00 0.00 175.35 176.34 1wj6 s TYR 58 N 2.45 2.94 -0.09 3.18 -0.85 0.13 0.19 117.35 125.29 1wj6 s TYR 58 Ca -0.04 -0.00 -0.30 0.00 -0.52 0.00 0.00 57.07 56.22 1wj6 s TYR 58 Cb -0.11 -1.63 -0.02 0.00 0.38 0.00 0.00 41.96 40.58 1wj6 s TYR 58 CO -0.14 0.40 1.03 -0.51 -1.52 0.00 0.00 175.55 174.81 1wj6 s LEU 59 N -1.42 4.26 0.00 -3.49 1.43 -0.78 0.19 118.68 118.86 1wj6 s LEU 59 Ca 0.17 1.58 0.00 0.00 -1.03 0.00 0.00 54.13 54.85 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 0.08 -0.46 0.00 -0.67 0.23 0.00 0.00 176.35 175.53 1wj6 n ASP 60 N 4.97 0.00 -0.49 2.29 -0.08 -0.87 -4.75 116.55 117.62 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 0.09 0.00 2.34 0.00 0.00 41.12 44.04 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 1.60 0.00 -0.67 1.02 -1.26 -2.97 120.64 118.36 1wj6 n GLU 61 Ca 0.00 -0.75 0.00 0.00 -0.02 0.00 0.00 57.16 56.39 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 0.10 -0.27 -1.79 3.49 1.02 -1.26 -4.98 120.64 116.95 1wj6 n GLU 62 Ca 0.07 -0.59 -0.10 0.00 -0.02 0.00 0.00 57.16 56.53 1wj6 n GLU 62 Cb 0.25 -0.93 -0.02 0.00 -0.02 0.00 0.00 31.44 30.72 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 -0.07 -3.66 -4.49 1.62 5.15 -1.16 -5.00 115.26 107.65 1wj6 n ASN 63 Ca 0.00 0.10 -0.34 0.00 -0.60 0.00 0.00 54.58 53.74 1wj6 n ASN 63 Cb 0.08 -2.53 -0.12 0.00 -0.53 0.00 0.00 39.78 36.67 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 -3.76 3.66 0.12 1.20 2.02 -1.26 -4.85 118.70 115.84 1wj6 s GLU 64 Ca 0.00 -0.51 -0.32 0.00 0.02 0.00 0.00 54.97 54.15 1wj6 s GLU 64 Cb 0.00 -2.98 -0.12 0.00 0.10 0.00 0.00 34.13 31.14 1wj6 s GLU 64 CO 0.00 0.17 1.77 0.39 0.02 0.00 0.00 175.26 177.61 1wj6 n GLU 65 N 3.76 2.60 -4.08 1.61 1.02 -1.26 -2.05 120.64 122.24 1wj6 n GLU 65 Ca -0.17 0.94 -0.33 0.00 -0.02 0.00 0.00 57.16 57.58 1wj6 n GLU 65 Cb 0.52 -2.80 -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 2.26 2.31 0.01 2.62 1.01 0.49 -4.83 120.40 124.27 1wj6 s VAL 66 Ca 0.81 -0.93 -0.22 0.00 0.00 0.00 0.00 61.98 61.65 1wj6 s VAL 66 Cb -0.55 -2.03 -0.05 0.00 0.00 0.00 0.00 36.38 33.75 1wj6 s VAL 66 CO 0.38 0.46 0.64 -0.94 0.00 0.00 0.00 175.10 175.64 1wj6 s SER 67 N 1.31 7.04 -0.20 3.32 1.04 -1.26 0.19 113.70 125.14 1wj6 s SER 67 Ca 0.04 1.24 -0.08 0.00 0.48 0.00 0.00 55.95 57.62 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 -0.10 0.07 0.08 -0.63 0.98 0.00 0.00 173.24 173.64 1wj6 s ILE 68 N -0.14 4.88 -0.08 -1.02 1.01 -1.25 -4.95 121.20 119.67 1wj6 s ILE 68 Ca 0.33 0.00 0.01 0.00 0.00 0.00 0.00 60.65 60.99 1wj6 s ILE 68 Cb -0.19 -3.22 -0.05 0.00 0.01 0.00 0.00 42.46 39.01 1wj6 s ILE 68 CO 0.19 0.43 -0.07 0.59 0.00 0.00 0.00 174.94 176.08 1wj6 n ASN 69 N 3.78 3.38 -4.66 3.58 3.02 -1.26 -4.82 115.26 118.28 1wj6 n ASN 69 Ca -0.16 -0.04 -0.32 0.00 -0.03 0.00 0.00 54.58 54.03 1wj6 n ASN 69 Cb 0.52 -0.12 -0.08 0.00 -0.61 0.00 0.00 39.78 39.49 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 -4.75 3.93 0.07 6.41 0.15 -1.26 -4.90 113.70 113.34 1wj6 s SER 70 Ca -0.10 -1.64 -0.25 0.00 0.70 0.00 0.00 55.95 54.66 1wj6 s SER 70 Cb 0.03 0.45 -0.17 0.00 -1.71 0.00 0.00 66.02 64.63 1wj6 s SER 70 CO 0.17 -0.83 1.62 -0.61 1.20 0.00 0.00 173.24 174.79 1wj6 h GLN 71 N 1.44 -0.21 -0.98 5.44 5.75 -1.97 -2.78 115.11 121.80 1wj6 h GLN 71 Ca -0.43 0.01 0.25 0.00 -0.15 0.00 0.00 58.65 58.34 1wj6 h GLN 71 Cb 1.30 0.05 -0.18 0.00 1.07 0.00 0.00 27.48 29.72 1wj6 h GLN 71 CO 0.72 -0.07 -0.02 0.78 -2.65 0.00 0.00 178.83 177.60 1wj6 h GLY 72 N -0.30 1.14 1.02 2.39 0.00 -1.99 1.58 103.07 106.91 1wj6 h GLY 72 Ca -0.02 0.18 -0.02 0.00 0.00 0.00 0.00 47.33 47.47 1wj6 h GLY 72 CO 0.04 -0.48 0.45 0.83 0.00 0.00 0.00 176.54 177.38 1wj6 h GLU 73 N 0.01 1.18 -0.13 4.80 5.08 -1.90 -2.63 114.58 120.98 1wj6 h GLU 73 Ca 0.57 -0.14 -0.05 0.00 -1.00 0.00 0.00 59.36 58.73 1wj6 h GLU 73 Cb 1.12 -0.23 -0.00 0.00 0.50 0.00 0.00 28.75 30.14 1wj6 h GLU 73 CO -0.93 0.87 -0.13 -0.92 -1.00 0.00 0.00 179.01 176.91 1wj6 h TYR 74 N 1.18 0.38 -0.30 4.33 3.20 0.21 -2.96 116.97 123.01 1wj6 h TYR 74 Ca 0.30 -0.11 0.03 0.00 3.14 0.00 0.00 58.73 62.09 1wj6 h TYR 74 Cb 0.04 -0.08 -0.06 0.00 1.54 0.00 0.00 36.73 38.17 1wj6 h TYR 74 CO 0.01 0.71 -0.37 0.93 -1.64 0.00 0.00 178.16 177.80 1wj6 h GLU 75 N -0.06 -0.23 -0.48 1.82 5.08 0.88 0.37 114.58 121.96 1wj6 h GLU 75 Ca 0.02 0.02 0.09 0.00 -1.00 0.00 0.00 59.36 58.49 1wj6 h GLU 75 Cb 0.65 0.05 -0.10 0.00 0.50 0.00 0.00 28.75 29.85 1wj6 h GLU 75 CO 0.03 -0.16 -0.35 0.93 -1.00 0.00 0.00 179.01 178.47 1wj6 h GLU 76 N -0.24 -0.22 -0.88 2.33 4.39 -1.55 0.44 114.58 118.84 1wj6 h GLU 76 Ca 0.05 0.02 0.19 0.00 0.34 0.00 0.00 59.36 59.96 1wj6 h GLU 76 Cb 0.38 0.05 -0.11 0.00 -0.10 0.00 0.00 28.75 28.97 1wj6 h GLU 76 CO -0.41 -0.15 0.42 0.00 -1.16 0.00 0.00 179.01 177.71 1wj6 h ALA 77 N 0.79 1.39 -0.42 3.43 0.00 -1.06 0.88 119.26 124.26 1wj6 h ALA 77 Ca 0.19 0.13 -0.06 0.00 0.00 0.00 0.00 54.91 55.17 1wj6 h ALA 77 Cb 0.55 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 1wj6 h ALA 77 CO -0.60 -0.24 0.02 -0.07 0.00 0.00 0.00 179.25 178.36 1wj6 h LEU 78 N 0.50 0.63 -0.67 0.00 3.38 0.39 0.17 115.31 119.70 1wj6 h LEU 78 Ca 0.52 -0.13 -0.09 0.00 0.09 0.00 0.00 57.88 58.27 1wj6 h LEU 78 Cb 0.91 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.47 1wj6 h LEU 78 CO -0.46 0.68 -0.01 0.11 0.09 0.00 0.00 178.44 178.86 1wj6 h LYS 79 N 0.64 1.02 -0.18 1.13 1.57 0.38 -2.92 116.57 118.21 1wj6 h LYS 79 Ca 0.13 -0.32 -0.08 0.00 -1.87 0.00 0.00 60.65 58.51 1wj6 h LYS 79 Cb 0.36 -0.10 -0.00 0.00 0.08 0.00 0.00 32.23 32.57 1wj6 h LYS 79 CO 0.01 1.01 -0.21 1.98 -0.57 0.00 0.00 179.45 181.66 1wj6 h MET 80 N 0.93 0.46 -0.96 3.15 4.05 0.05 -3.07 114.93 119.55 1wj6 h MET 80 Ca 0.17 -0.26 0.27 0.00 -0.28 0.00 0.00 59.70 59.60 1wj6 h MET 80 Cb 0.55 0.02 -0.14 0.00 -0.80 0.00 0.00 31.60 31.23 1wj6 h MET 80 CO 0.03 0.84 0.47 0.00 0.23 0.00 0.00 176.91 178.48 1wj6 h ALA 81 N 0.62 1.68 -0.69 0.39 0.00 -0.57 0.98 119.26 121.67 1wj6 h ALA 81 Ca 0.02 0.18 0.07 0.00 0.00 0.00 0.00 54.91 55.18 1wj6 h ALA 81 Cb 0.77 0.16 -0.06 0.00 0.00 0.00 0.00 17.79 18.65 1wj6 h ALA 81 CO 0.05 -0.44 0.37 0.28 0.00 0.00 0.00 179.25 179.51 1wj6 h VAL 82 N 0.37 0.92 -0.22 0.00 2.07 -1.41 0.15 116.25 118.13 1wj6 h VAL 82 Ca 0.64 -0.23 0.03 0.00 0.82 0.00 0.00 66.70 67.96 1wj6 h VAL 82 Cb 1.34 0.20 -0.03 0.00 -1.52 0.00 0.00 31.29 31.29 1wj6 h VAL 82 CO -0.57 0.12 0.06 0.11 0.02 0.00 0.00 177.57 177.31 1wj6 h LYS 83 N 0.66 0.15 0.51 1.57 1.57 0.92 -3.07 116.57 118.88 1wj6 h LYS 83 Ca 0.32 -0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 59.07 1wj6 h LYS 83 Cb 0.26 -0.03 -0.00 0.00 0.08 0.00 0.00 32.23 32.53 1wj6 h LYS 83 CO -0.22 0.10 -0.33 1.96 -0.57 0.00 0.00 179.45 180.39 1wj6 h GLN 84 N 0.16 -0.76 0.00 3.15 4.20 -0.37 -3.46 115.11 118.03 1wj6 h GLN 84 Ca 0.10 0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.86 1wj6 h GLN 84 Cb 0.08 0.17 0.00 0.00 0.30 0.00 0.00 27.48 28.03 1wj6 h GLN 84 CO -0.12 -0.51 0.00 0.41 -0.67 0.00 0.00 178.83 177.94 1wj6 n GLY 85 N -1.42 0.00 2.45 3.46 0.00 0.30 -4.93 105.19 105.06 1wj6 n GLY 85 Ca -0.10 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.79 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 -4.23 -3.80 1.61 4.13 0.08 -4.89 115.26 108.16 1wj6 n ASN 86 Ca 0.00 -0.14 -0.10 0.00 1.68 0.00 0.00 54.58 56.01 1wj6 n ASN 86 Cb 0.00 -3.17 -0.07 0.00 -1.54 0.00 0.00 39.78 34.99 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 -5.11 0.80 -0.05 3.52 1.03 -1.10 0.18 119.66 118.92 1wj6 s GLN 87 Ca 0.15 -0.66 -0.03 0.00 0.04 0.00 0.00 55.36 54.86 1wj6 s GLN 87 Cb -0.06 0.34 0.03 0.00 0.03 0.00 0.00 33.01 33.34 1wj6 s GLN 87 CO 0.18 -0.25 0.12 -1.17 -2.54 0.00 0.00 175.29 171.63 1wj6 s LEU 88 N -2.29 1.07 -0.64 2.60 2.96 0.29 -4.22 118.68 118.44 1wj6 s LEU 88 Ca -0.02 0.24 -0.21 0.00 -0.22 0.00 0.00 54.13 53.91 1wj6 s LEU 88 Cb 0.01 0.31 0.08 0.00 0.50 0.00 0.00 46.19 47.09 1wj6 s LEU 88 CO -0.06 -0.11 0.88 -1.10 -1.32 0.00 0.00 176.35 174.65 1wj6 s GLN 89 N 0.77 3.10 0.13 1.98 -1.52 -1.26 0.32 119.66 123.17 1wj6 s GLN 89 Ca -0.06 -1.02 0.04 0.00 -1.95 0.00 0.00 55.36 52.37 1wj6 s GLN 89 Cb -0.08 -4.25 -0.04 0.00 -0.22 0.00 0.00 33.01 28.42 1wj6 s GLN 89 CO -0.03 -1.73 0.16 -1.64 -0.25 0.00 0.00 175.29 171.80 1wj6 s MET 90 N 3.57 3.07 -0.08 2.91 -1.94 0.48 -1.87 119.30 125.44 1wj6 s MET 90 Ca 0.19 -0.73 -0.00 0.00 -1.71 0.00 0.00 55.69 53.43 1wj6 s MET 90 Cb -0.19 -2.77 0.02 0.00 2.01 0.00 0.00 34.83 33.90 1wj6 s MET 90 CO 0.08 0.52 -0.05 -0.65 -0.01 0.00 0.00 175.02 174.92 1wj6 s GLN 91 N -2.92 1.06 0.26 2.03 1.11 0.49 -0.00 119.66 121.69 1wj6 s GLN 91 Ca 0.32 -0.11 -0.29 0.00 0.01 0.00 0.00 55.36 55.29 1wj6 s GLN 91 Cb -0.11 -1.18 -0.09 0.00 -1.01 0.00 0.00 33.01 30.62 1wj6 s GLN 91 CO 0.25 -0.21 1.15 0.08 0.01 0.00 0.00 175.29 176.56 1wj6 s VAL 92 N 1.52 3.41 -0.39 1.09 1.01 -1.21 0.67 120.40 126.50 1wj6 s VAL 92 Ca -0.01 1.36 0.01 0.00 0.00 0.00 0.00 61.98 63.35 1wj6 s VAL 92 Cb -0.13 -3.87 0.14 0.00 0.00 0.00 0.00 36.38 32.52 1wj6 s VAL 92 CO -0.04 0.30 0.22 -1.00 0.00 0.00 0.00 175.10 174.58 1wj6 s HIS 93 N -0.91 1.26 0.15 5.22 3.76 -1.24 -4.57 115.29 118.96 1wj6 s HIS 93 Ca 0.47 -1.95 -0.33 0.00 -0.15 0.00 0.00 55.06 53.09 1wj6 s HIS 93 Cb -0.33 -1.34 -0.16 0.00 1.11 0.00 0.00 32.58 31.86 1wj6 s HIS 93 CO 0.42 -0.81 1.10 0.39 -0.85 0.00 0.00 174.74 174.99 1wj6 n GLU 94 N 3.86 0.93 0.00 1.40 -0.58 -1.26 0.19 120.64 125.19 1wj6 n GLU 94 Ca 0.10 0.33 0.00 0.00 -0.42 0.00 0.00 57.16 57.17 1wj6 n GLU 94 Cb 0.36 -1.79 0.00 0.00 -0.57 0.00 0.00 31.44 29.44 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 1.96 2.51 3.87 0.62 0.00 0.33 -4.74 105.19 109.76 1wj6 n GLY 95 Ca 0.16 -1.65 -0.36 0.00 0.00 0.00 0.00 46.02 44.16 1wj6 n GLY 95 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wj6 s SER 96 N 0.00 6.53 0.80 1.61 0.15 -1.26 -3.21 113.70 118.32 1wj6 s SER 96 Ca 0.00 0.63 0.00 0.00 0.70 0.00 0.00 55.95 57.28 1wj6 s SER 96 Cb 0.00 -2.12 0.00 0.00 -1.71 0.00 0.00 66.02 62.19 1wj6 s SER 96 CO 0.00 0.33 0.00 0.61 1.20 0.00 0.00 173.24 175.38 1wj6 n GLY 97 N 1.60 1.73 3.66 9.45 0.00 -1.26 -4.73 105.19 115.64 1wj6 n GLY 97 Ca -0.15 -0.49 -0.29 0.00 0.00 0.00 0.00 46.02 45.09 1wj6 n GLY 97 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1wj6 n PRO 98 N 6.19 -2.21 0.03 1.61 -0.04 -1.26 -5.03 135.00 134.30 1wj6 n PRO 98 Ca 0.00 -1.89 0.00 0.00 -0.04 0.00 0.00 63.50 61.57 1wj6 n PRO 98 Cb 0.00 -1.49 0.00 0.00 -0.04 0.00 0.00 33.50 31.97 1wj6 n PRO 98 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1wj6 n SER 99 N -4.35 -0.24 -4.50 3.54 3.41 -1.26 -5.07 113.62 105.14 1wj6 n SER 99 Ca 0.16 0.12 -0.32 0.00 -0.26 0.00 0.00 58.87 58.57 1wj6 n SER 99 Cb 0.58 0.36 0.14 0.00 -0.26 0.00 0.00 64.21 65.03 1wj6 n SER 99 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1wj6 n SER 100 N -2.70 -1.27 0.00 4.04 7.64 -1.26 -5.23 113.62 114.85 1wj6 n SER 100 Ca 0.00 0.33 0.00 0.00 1.01 0.00 0.00 58.87 60.21 1wj6 n SER 100 Cb 0.00 -1.29 0.00 0.00 -1.01 0.00 0.00 64.21 61.91 1wj6 n SER 100 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64