#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 6.18 -0.30 1.61 0.15 -1.26 -4.95 113.70 115.14 1wj6 s SER 2 Ca 0.00 -1.31 -0.26 0.00 0.70 0.00 0.00 55.95 55.08 1wj6 s SER 2 Cb 0.00 -2.34 0.19 0.00 -1.71 0.00 0.00 66.02 62.17 1wj6 s SER 2 CO 0.00 -1.22 1.43 -0.55 1.20 0.00 0.00 173.24 174.11 1wj6 s SER 3 N 3.65 -0.04 0.00 5.45 0.15 -1.26 -5.13 113.70 116.52 1wj6 s SER 3 Ca 0.15 0.06 0.00 0.00 0.70 0.00 0.00 55.95 56.86 1wj6 s SER 3 Cb -0.22 0.06 0.00 0.00 -1.71 0.00 0.00 66.02 64.15 1wj6 s SER 3 CO 0.07 -0.02 0.00 0.61 1.20 0.00 0.00 173.24 175.11 1wj6 n GLY 4 N 1.26 -1.80 3.65 9.45 0.00 -1.26 -5.14 105.19 111.35 1wj6 n GLY 4 Ca -0.07 -0.72 0.01 0.00 0.00 0.00 0.00 46.02 45.23 1wj6 n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wj6 s SER 5 N 0.00 -0.10 0.29 1.61 0.15 -1.26 -5.17 113.70 109.22 1wj6 s SER 5 Ca 0.00 0.16 -0.04 0.00 0.70 0.00 0.00 55.95 56.77 1wj6 s SER 5 Cb 0.00 0.83 -0.05 0.00 -1.71 0.00 0.00 66.02 65.09 1wj6 s SER 5 CO 0.00 -0.03 0.54 -0.55 1.20 0.00 0.00 173.24 174.41 1wj6 s SER 6 N 0.82 6.42 0.00 5.45 0.15 -1.26 -4.98 113.70 120.30 1wj6 s SER 6 Ca -0.04 0.67 0.00 0.00 0.70 0.00 0.00 55.95 57.27 1wj6 s SER 6 Cb -0.03 -2.12 0.00 0.00 -1.71 0.00 0.00 66.02 62.16 1wj6 s SER 6 CO -0.11 -0.20 0.00 0.61 1.20 0.00 0.00 173.24 174.74 1wj6 n GLY 7 N -1.00 -0.34 3.59 9.45 0.00 -1.26 -5.02 105.19 110.61 1wj6 n GLY 7 Ca -0.02 -1.70 -0.29 0.00 0.00 0.00 0.00 46.02 44.01 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 -0.21 -2.16 -3.92 1.61 -0.04 -1.26 -5.05 135.00 123.97 1wj6 n PRO 8 Ca 0.00 -1.86 -0.35 0.00 -0.04 0.00 0.00 63.50 61.25 1wj6 n PRO 8 Cb 0.00 -1.46 -0.14 0.00 -0.04 0.00 0.00 33.50 31.86 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 -3.40 3.06 0.28 0.54 3.76 -1.26 -5.09 115.29 113.18 1wj6 s HIS 9 Ca 0.71 -1.38 0.02 0.00 -0.15 0.00 0.00 55.06 54.26 1wj6 s HIS 9 Cb -0.04 -2.09 -0.05 0.00 1.11 0.00 0.00 32.58 31.51 1wj6 s HIS 9 CO 0.52 -0.68 0.11 -1.54 -0.85 0.00 0.00 174.74 172.30 1wj6 s SER 10 N 1.37 1.39 0.25 1.40 1.04 -1.26 -5.07 113.70 112.83 1wj6 s SER 10 Ca 0.01 -1.44 0.00 0.00 0.48 0.00 0.00 55.95 55.00 1wj6 s SER 10 Cb -0.16 0.22 0.00 0.00 0.10 0.00 0.00 66.02 66.18 1wj6 s SER 10 CO -0.03 -0.77 0.00 0.23 0.98 0.00 0.00 173.24 173.64 1wj6 n MET 11 N -0.52 -5.65 -3.54 4.02 2.81 -1.26 -5.09 117.12 107.89 1wj6 n MET 11 Ca -0.00 4.00 -0.10 0.00 -1.81 0.00 0.00 57.70 59.80 1wj6 n MET 11 Cb 0.66 -4.33 -0.04 0.00 -0.71 0.00 0.00 33.22 28.80 1wj6 n MET 11 CO 0.00 0.00 0.00 -1.83 1.51 0.00 0.00 175.97 175.65 1wj6 s GLU 12 N -0.90 0.69 -0.07 0.03 1.03 -1.26 -5.07 118.70 113.16 1wj6 s GLU 12 Ca 0.00 -0.05 -0.26 0.00 0.03 0.00 0.00 54.97 54.69 1wj6 s GLU 12 Cb 0.00 0.32 -0.23 0.00 -0.80 0.00 0.00 34.13 33.42 1wj6 s GLU 12 CO 0.00 -0.26 1.03 -1.00 -1.33 0.00 0.00 175.26 173.70 1wj6 h PRO 13 N 2.31 0.07 -4.36 -4.83 0.13 -1.90 -3.44 132.00 119.98 1wj6 h PRO 13 Ca -0.20 -0.07 -0.47 0.00 -0.87 0.00 0.00 66.00 64.40 1wj6 h PRO 13 Cb 1.19 0.02 -0.07 0.00 0.13 0.00 0.00 31.00 32.28 1wj6 h PRO 13 CO 0.31 0.80 1.40 1.04 -0.23 0.00 0.00 178.00 181.32 1wj6 n GLN 14 N -4.65 0.00 -4.00 0.86 6.02 -1.20 -4.71 117.38 109.71 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 0.41 -1.26 -0.06 0.00 1.02 0.00 0.00 30.24 30.35 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 7.04 5.09 -0.48 5.09 1.01 -0.73 -4.81 120.40 132.61 1wj6 s VAL 15 Ca 1.11 -0.26 -0.16 0.00 0.00 0.00 0.00 61.98 62.67 1wj6 s VAL 15 Cb -1.10 -3.34 0.07 0.00 0.00 0.00 0.00 36.38 32.01 1wj6 s VAL 15 CO 0.44 0.35 0.43 -0.89 0.00 0.00 0.00 175.10 175.43 1wj6 s THR 16 N -1.24 5.18 -0.67 3.92 2.01 0.55 -0.87 115.64 124.51 1wj6 s THR 16 Ca 0.24 -0.98 -0.22 0.00 0.31 0.00 0.00 61.69 61.05 1wj6 s THR 16 Cb -0.12 -4.15 0.08 0.00 0.01 0.00 0.00 72.50 68.31 1wj6 s THR 16 CO 0.15 -0.61 0.94 -0.76 -0.69 0.00 0.00 174.62 173.66 1wj6 s LEU 17 N 1.79 4.55 -0.58 4.42 1.43 -0.31 0.59 118.68 130.57 1wj6 s LEU 17 Ca 0.06 -1.12 -0.24 0.00 -1.03 0.00 0.00 54.13 51.80 1wj6 s LEU 17 Cb -0.24 -2.40 0.05 0.00 0.03 0.00 0.00 46.19 43.63 1wj6 s LEU 17 CO 0.07 -1.38 0.94 0.20 0.23 0.00 0.00 176.35 176.42 1wj6 s ASN 18 N 3.68 6.29 -0.25 2.29 0.01 0.15 -0.89 114.94 126.21 1wj6 s ASN 18 Ca 0.22 -0.53 -0.11 0.00 -0.71 0.00 0.00 52.86 51.72 1wj6 s ASN 18 Cb -0.17 -2.43 -0.05 0.00 0.41 0.00 0.00 41.25 39.01 1wj6 s ASN 18 CO 0.08 -1.28 0.20 -0.69 -1.51 0.00 0.00 177.10 173.90 1wj6 s VAL 19 N 3.97 5.32 -0.48 1.60 1.01 0.15 0.21 120.40 132.18 1wj6 s VAL 19 Ca 0.28 0.23 -0.03 0.00 0.00 0.00 0.00 61.98 62.46 1wj6 s VAL 19 Cb -0.14 -3.54 0.13 0.00 0.00 0.00 0.00 36.38 32.83 1wj6 s VAL 19 CO 0.17 0.30 0.28 -0.89 0.00 0.00 0.00 175.10 174.96 1wj6 s THR 20 N 1.36 3.42 -0.11 3.92 2.01 0.92 0.20 115.64 127.36 1wj6 s THR 20 Ca 0.09 -2.37 -0.14 0.00 0.31 0.00 0.00 61.69 59.58 1wj6 s THR 20 Cb -0.15 -3.31 -0.05 0.00 0.01 0.00 0.00 72.50 69.01 1wj6 s THR 20 CO 0.07 -0.75 0.34 0.12 -0.69 0.00 0.00 174.62 173.70 1wj6 s PHE 21 N 0.73 3.56 0.00 4.92 5.36 -0.61 -3.50 117.98 128.44 1wj6 s PHE 21 Ca 0.11 0.74 0.00 0.00 -0.96 0.00 0.00 56.93 56.82 1wj6 s PHE 21 Cb -0.22 -2.32 0.00 0.00 -0.34 0.00 0.00 43.02 40.14 1wj6 s PHE 21 CO -0.04 0.39 0.00 1.63 -1.46 0.00 0.00 175.22 175.74 1wj6 n LYS 22 N 2.94 0.00 0.00 10.12 4.76 -1.26 0.27 118.16 134.99 1wj6 n LYS 22 Ca -0.13 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.31 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 2.82 0.69 -4.97 4.39 5.15 -1.26 -5.07 115.26 117.00 1wj6 n ASN 23 Ca 0.00 -1.32 -0.21 0.00 -0.60 0.00 0.00 54.58 52.45 1wj6 n ASN 23 Cb 0.00 0.00 0.01 0.00 -0.53 0.00 0.00 39.78 39.26 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 -0.32 3.03 -0.04 1.20 2.02 0.78 -5.11 118.70 120.26 1wj6 s GLU 24 Ca 0.00 -0.75 -0.01 0.00 0.02 0.00 0.00 54.97 54.23 1wj6 s GLU 24 Cb 0.00 -2.66 0.03 0.00 0.10 0.00 0.00 34.13 31.59 1wj6 s GLU 24 CO 0.00 -0.18 0.02 0.42 0.02 0.00 0.00 175.26 175.54 1wj6 s ILE 25 N -2.41 0.12 0.29 -1.63 1.01 -1.26 -1.58 121.20 115.74 1wj6 s ILE 25 Ca 0.48 0.21 0.08 0.00 0.00 0.00 0.00 60.65 61.42 1wj6 s ILE 25 Cb -0.10 -0.29 -0.06 0.00 0.01 0.00 0.00 42.46 42.02 1wj6 s ILE 25 CO 0.35 0.18 -0.09 -1.58 0.00 0.00 0.00 174.94 173.80 1wj6 s GLN 26 N 1.63 1.60 -0.05 2.79 2.00 0.53 -4.96 119.66 123.20 1wj6 s GLN 26 Ca -0.01 -1.80 -0.02 0.00 -2.00 0.00 0.00 55.36 51.53 1wj6 s GLN 26 Cb -0.13 -1.35 0.03 0.00 0.80 0.00 0.00 33.01 32.36 1wj6 s GLN 26 CO -0.03 0.11 0.10 0.45 -0.50 0.00 0.00 175.29 175.42 1wj6 s SER 27 N -3.48 -0.05 -0.16 6.67 0.15 -1.25 0.31 113.70 115.88 1wj6 s SER 27 Ca 0.29 0.20 -0.01 0.00 0.70 0.00 0.00 55.95 57.13 1wj6 s SER 27 Cb 0.02 0.11 0.04 0.00 -1.71 0.00 0.00 66.02 64.48 1wj6 s SER 27 CO 0.13 -0.12 -0.03 -0.36 1.20 0.00 0.00 173.24 174.06 1wj6 s PHE 28 N 0.90 1.50 0.14 3.44 0.40 -0.07 -4.92 117.98 119.36 1wj6 s PHE 28 Ca -0.07 -0.97 -0.30 0.00 -0.60 0.00 0.00 56.93 54.99 1wj6 s PHE 28 Cb -0.10 -1.22 -0.06 0.00 0.51 0.00 0.00 43.02 42.15 1wj6 s PHE 28 CO -0.04 -0.59 0.98 -1.17 0.70 0.00 0.00 175.22 175.10 1wj6 s LEU 29 N 1.70 4.52 -0.42 -0.37 2.96 -1.26 -1.16 118.68 124.65 1wj6 s LEU 29 Ca 0.01 1.85 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 43.06 1wj6 s LEU 29 CO -0.07 -0.06 0.18 -0.69 -1.32 0.00 0.00 176.35 174.39 1wj6 s VAL 30 N -0.19 1.91 -0.64 1.68 1.01 -0.05 -4.90 120.40 119.22 1wj6 s VAL 30 Ca 0.46 -2.57 0.20 0.00 0.00 0.00 0.00 61.98 60.07 1wj6 s VAL 30 Cb -0.24 -2.36 0.20 0.00 0.00 0.00 0.00 36.38 33.97 1wj6 s VAL 30 CO 0.31 -0.76 1.61 -1.54 0.00 0.00 0.00 175.10 174.72 1wj6 n SER 31 N 3.77 0.44 -3.21 3.32 3.41 -1.26 -1.77 113.62 118.33 1wj6 n SER 31 Ca 0.05 0.62 -0.24 0.00 -0.26 0.00 0.00 58.87 59.03 1wj6 n SER 31 Cb 0.37 -0.71 -0.07 0.00 -0.26 0.00 0.00 64.21 63.54 1wj6 n SER 31 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1wj6 n ASP 32 N -1.99 0.27 0.02 4.04 8.00 -1.26 -4.23 116.55 121.39 1wj6 n ASP 32 Ca 0.02 -2.70 0.11 0.00 0.71 0.00 0.00 54.79 52.93 1wj6 n ASP 32 Cb 0.19 -0.64 0.46 0.00 -0.02 0.00 0.00 41.12 41.12 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 1.45 0.04 -0.09 -0.24 -0.04 -1.23 -0.39 135.00 134.50 1wj6 n PRO 33 Ca 0.22 0.16 -0.08 0.00 -0.04 0.00 0.00 63.50 63.75 1wj6 n PRO 33 Cb 0.52 -1.56 -0.14 0.00 -0.04 0.00 0.00 33.50 32.28 1wj6 n PRO 33 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1wj6 n GLU 34 N -1.63 1.05 -0.03 0.54 1.02 -1.26 -4.54 120.64 115.80 1wj6 n GLU 34 Ca 0.05 -0.01 -0.18 0.00 -0.02 0.00 0.00 57.16 56.99 1wj6 n GLU 34 Cb 0.27 -1.46 -0.13 0.00 -0.02 0.00 0.00 31.44 30.09 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 0.19 -4.04 1.62 -0.73 -1.92 -3.46 115.58 107.25 1wj6 h ASN 35 Ca -0.47 -0.88 -0.49 0.00 1.87 0.00 0.00 56.30 56.33 1wj6 h ASN 35 Cb 2.07 -0.06 0.17 0.00 0.27 0.00 0.00 38.32 40.77 1wj6 h ASN 35 CO 0.03 1.30 0.21 0.28 -0.37 0.00 0.00 177.43 178.87 1wj6 s THR 36 N -2.34 2.47 0.18 -3.57 -1.32 0.47 -5.04 115.64 106.48 1wj6 s THR 36 Ca -0.19 0.15 0.07 0.00 -1.21 0.00 0.00 61.69 60.51 1wj6 s THR 36 Cb 0.01 -2.41 -0.04 0.00 -1.51 0.00 0.00 72.50 68.55 1wj6 s THR 36 CO 0.72 -0.20 0.03 0.42 -2.21 0.00 0.00 174.62 173.38 1wj6 s THR 37 N -2.75 3.88 0.28 5.08 -4.23 -1.26 -4.88 115.64 111.76 1wj6 s THR 37 Ca 0.65 -1.37 -0.04 0.00 -1.18 0.00 0.00 61.69 59.76 1wj6 s THR 37 Cb -0.21 -2.96 0.26 0.00 1.34 0.00 0.00 72.50 70.93 1wj6 s THR 37 CO 0.58 -0.12 1.95 -0.25 -0.54 0.00 0.00 174.62 176.24 1wj6 h TRP 38 N 2.60 1.14 -0.92 3.99 -0.00 -1.91 -0.11 115.95 120.75 1wj6 h TRP 38 Ca -0.47 0.03 0.12 0.00 -0.00 0.00 0.00 58.89 58.57 1wj6 h TRP 38 Cb 1.20 -0.39 -0.07 0.00 -0.00 0.00 0.00 29.16 29.91 1wj6 h TRP 38 CO 0.62 0.71 0.59 0.00 -0.00 0.00 0.00 178.44 180.36 1wj6 h ALA 39 N 1.44 1.67 -0.50 2.65 0.00 -1.93 0.71 119.26 123.31 1wj6 h ALA 39 Ca 0.34 0.01 -0.10 0.00 0.00 0.00 0.00 54.91 55.16 1wj6 h ALA 39 Cb -0.12 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.48 1wj6 h ALA 39 CO -0.08 0.10 -0.07 -0.44 0.00 0.00 0.00 179.25 178.76 1wj6 h ASP 40 N 0.85 0.93 0.62 0.00 5.19 -1.44 -2.65 116.42 119.91 1wj6 h ASP 40 Ca 0.45 -0.34 -0.03 0.00 -0.62 0.00 0.00 57.03 56.49 1wj6 h ASP 40 Cb 0.54 -0.25 0.01 0.00 0.18 0.00 0.00 39.33 39.81 1wj6 h ASP 40 CO -0.21 1.05 -0.30 0.40 -3.12 0.00 0.00 179.24 177.06 1wj6 h ILE 41 N 0.78 0.16 -0.36 0.35 1.08 -0.15 -1.12 117.51 118.26 1wj6 h ILE 41 Ca 0.13 -0.36 0.03 0.00 -0.39 0.00 0.00 64.86 64.27 1wj6 h ILE 41 Cb 0.62 0.22 -0.04 0.00 -3.07 0.00 0.00 36.82 34.55 1wj6 h ILE 41 CO 0.04 0.02 -0.21 1.21 -0.69 0.00 0.00 178.15 178.52 1wj6 n GLU 42 N -5.35 -0.16 0.03 2.37 2.13 0.22 -0.34 120.64 119.55 1wj6 n GLU 42 Ca -0.11 1.08 -0.13 0.00 0.66 0.00 0.00 57.16 58.66 1wj6 n GLU 42 Cb 0.35 -1.60 -0.06 0.00 0.27 0.00 0.00 31.44 30.40 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 -0.35 -0.59 -0.90 4.31 0.00 -1.54 -0.46 119.26 119.72 1wj6 h ALA 43 Ca 0.06 -0.02 0.16 0.00 0.00 0.00 0.00 54.91 55.11 1wj6 h ALA 43 Cb 0.15 0.73 -0.16 0.00 0.00 0.00 0.00 17.79 18.51 1wj6 h ALA 43 CO -0.34 -0.92 -0.28 -0.12 0.00 0.00 0.00 179.25 177.59 1wj6 n MET 44 N -5.44 -0.14 -0.18 0.00 0.00 0.30 0.18 117.12 111.84 1wj6 n MET 44 Ca -0.05 1.40 -0.07 0.00 -0.00 0.00 0.00 57.70 58.98 1wj6 n MET 44 Cb 0.36 -2.09 0.02 0.00 0.00 0.00 0.00 33.22 31.51 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 1.19 0.00 1.12 2.07 0.40 0.14 116.25 121.17 1wj6 h VAL 45 Ca 0.38 -0.51 0.00 0.00 0.82 0.00 0.00 66.70 67.39 1wj6 h VAL 45 Cb 0.61 0.55 0.00 0.00 -1.52 0.00 0.00 31.29 30.93 1wj6 h VAL 45 CO -0.92 0.21 0.00 0.29 0.02 0.00 0.00 177.57 177.17 1wj6 n LYS 46 N -4.61 0.00 -0.29 1.57 5.02 0.48 -0.56 118.16 119.79 1wj6 n LYS 46 Ca 0.03 0.59 0.10 0.00 -2.02 0.00 0.00 58.31 57.00 1wj6 n LYS 46 Cb 0.10 -1.49 0.24 0.00 -0.02 0.00 0.00 35.03 33.86 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 0.31 -0.90 -0.18 -1.51 -0.38 2.02 116.25 115.60 1wj6 h VAL 47 Ca 0.00 -0.05 0.17 0.00 -1.23 0.00 0.00 66.70 65.58 1wj6 h VAL 47 Cb 0.00 0.13 -0.07 0.00 -2.13 0.00 0.00 31.29 29.22 1wj6 h VAL 47 CO 0.00 0.03 0.58 -1.28 -1.23 0.00 0.00 177.57 175.67 1wj6 h SER 48 N 0.16 0.58 -0.42 4.19 0.87 -0.37 0.23 113.55 118.79 1wj6 h SER 48 Ca 0.50 0.05 0.00 0.00 -1.23 0.00 0.00 61.79 61.11 1wj6 h SER 48 Cb 0.97 -0.07 0.00 0.00 -0.44 0.00 0.00 62.40 62.86 1wj6 h SER 48 CO -0.68 0.27 0.00 0.49 -0.53 0.00 0.00 176.83 176.38 1wj6 n PHE 49 N -4.56 0.85 -3.39 2.24 3.72 0.46 -5.00 117.46 111.78 1wj6 n PHE 49 Ca 0.18 -0.62 -0.14 0.00 -0.05 0.00 0.00 57.45 56.83 1wj6 n PHE 49 Cb 0.55 -0.14 0.00 0.00 -0.94 0.00 0.00 39.48 38.95 1wj6 n PHE 49 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 1wj6 n ASP 50 N 0.49 -6.39 -4.08 4.37 9.92 0.57 -5.00 116.55 116.43 1wj6 n ASP 50 Ca 0.18 -0.42 -0.08 0.00 -0.53 0.00 0.00 54.79 53.94 1wj6 n ASP 50 Cb 0.66 -3.51 -0.10 0.00 -0.64 0.00 0.00 41.12 37.53 1wj6 n ASP 50 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 1wj6 s LEU 51 N -4.22 2.46 -0.23 0.64 1.43 -0.56 -4.94 118.68 113.26 1wj6 s LEU 51 Ca 0.04 -0.93 -0.16 0.00 -1.03 0.00 0.00 54.13 52.05 1wj6 s LEU 51 Cb -0.01 0.15 -0.12 0.00 0.03 0.00 0.00 46.19 46.25 1wj6 s LEU 51 CO 0.82 -0.54 -0.19 -3.20 0.23 0.00 0.00 176.35 173.47 1wj6 n ASN 52 N 0.29 1.91 -3.95 2.29 2.85 -1.26 -4.09 115.26 113.31 1wj6 n ASN 52 Ca -0.15 0.39 -0.23 0.00 -0.11 0.00 0.00 54.58 54.48 1wj6 n ASN 52 Cb 0.60 -0.85 -0.17 0.00 1.24 0.00 0.00 39.78 40.61 1wj6 n ASN 52 CO 0.00 0.00 0.00 0.42 -2.11 0.00 0.00 177.26 175.57 1wj6 s THR 53 N -2.52 0.88 0.22 -0.44 -4.23 -1.26 -5.03 115.64 103.27 1wj6 s THR 53 Ca -0.32 -0.30 0.01 0.00 -1.18 0.00 0.00 61.69 59.90 1wj6 s THR 53 Cb 0.09 -0.86 -0.05 0.00 1.34 0.00 0.00 72.50 73.03 1wj6 s THR 53 CO 0.47 0.31 0.07 0.27 -0.54 0.00 0.00 174.62 175.21 1wj6 s ILE 54 N 0.99 0.52 -0.44 2.99 -4.36 -1.26 -0.11 121.20 119.53 1wj6 s ILE 54 Ca -0.09 -1.99 0.08 0.00 -0.26 0.00 0.00 60.65 58.39 1wj6 s ILE 54 Cb -0.15 -2.46 0.28 0.00 1.25 0.00 0.00 42.46 41.39 1wj6 s ILE 54 CO 0.00 -0.15 0.64 1.67 0.24 0.00 0.00 174.94 177.34 1wj6 n GLN 55 N -0.37 1.25 -1.05 0.37 -0.06 0.21 -4.31 117.38 113.42 1wj6 n GLN 55 Ca -0.02 -3.61 -0.36 0.00 -2.00 0.00 0.00 57.00 51.01 1wj6 n GLN 55 Cb 0.65 -1.57 0.04 0.00 -4.06 0.00 0.00 30.24 25.30 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 0.93 0.12 -3.66 1.69 5.41 -1.26 -3.65 119.36 118.94 1wj6 n ILE 56 Ca 0.24 -0.46 -0.07 0.00 1.00 0.00 0.00 62.75 63.46 1wj6 n ILE 56 Cb 0.53 -0.11 -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 -2.01 0.39 0.00 0.38 1.02 0.13 -3.79 119.74 115.85 1wj6 s LYS 57 Ca 0.47 1.09 0.02 0.00 0.02 0.00 0.00 55.97 57.57 1wj6 s LYS 57 Cb -0.26 0.38 -0.03 0.00 -0.52 0.00 0.00 37.83 37.40 1wj6 s LYS 57 CO 0.76 -0.23 -0.04 1.52 -0.92 0.00 0.00 175.35 176.45 1wj6 s TYR 58 N 2.49 2.97 -0.13 3.18 -0.85 0.14 0.20 117.35 125.34 1wj6 s TYR 58 Ca -0.04 0.01 -0.29 0.00 -0.52 0.00 0.00 57.07 56.24 1wj6 s TYR 58 Cb -0.11 -1.63 -0.01 0.00 0.38 0.00 0.00 41.96 40.58 1wj6 s TYR 58 CO -0.14 0.41 0.97 -0.51 -1.52 0.00 0.00 175.55 174.76 1wj6 s LEU 59 N -1.47 4.22 0.00 -3.49 1.43 -0.80 0.14 118.68 118.70 1wj6 s LEU 59 Ca 0.18 1.44 0.00 0.00 -1.03 0.00 0.00 54.13 54.72 1wj6 s LEU 59 Cb -0.11 -3.49 0.00 0.00 0.03 0.00 0.00 46.19 42.62 1wj6 s LEU 59 CO 0.09 -0.46 0.00 -0.67 0.23 0.00 0.00 176.35 175.54 1wj6 n ASP 60 N 5.17 0.00 -0.55 2.29 -0.08 -0.92 -4.77 116.55 117.68 1wj6 n ASP 60 Ca 0.08 0.00 0.03 0.00 -1.51 0.00 0.00 54.79 53.39 1wj6 n ASP 60 Cb 0.48 0.00 0.11 0.00 2.34 0.00 0.00 41.12 44.05 1wj6 n ASP 60 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 1wj6 n GLU 61 N 0.00 1.70 0.00 -0.67 1.02 -1.26 -3.04 120.64 118.39 1wj6 n GLU 61 Ca 0.00 -0.86 0.00 0.00 -0.02 0.00 0.00 57.16 56.28 1wj6 n GLU 61 Cb 0.00 -1.32 0.00 0.00 -0.02 0.00 0.00 31.44 30.10 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 0.18 -0.75 -1.96 3.49 1.02 -1.26 -4.98 120.64 116.37 1wj6 n GLU 62 Ca 0.08 -0.43 -0.08 0.00 -0.02 0.00 0.00 57.16 56.71 1wj6 n GLU 62 Cb 0.28 -0.93 -0.01 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 -0.02 -3.06 -4.46 1.62 2.85 -1.17 -5.01 115.26 106.01 1wj6 n ASN 63 Ca 0.00 0.03 -0.34 0.00 -0.11 0.00 0.00 54.58 54.16 1wj6 n ASN 63 Cb 0.03 -2.15 -0.13 0.00 1.24 0.00 0.00 39.78 38.77 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 -4.05 3.60 0.08 1.20 2.02 -1.26 -4.86 118.70 115.44 1wj6 s GLU 64 Ca 0.00 -0.55 -0.32 0.00 0.02 0.00 0.00 54.97 54.12 1wj6 s GLU 64 Cb 0.00 -2.92 -0.11 0.00 0.10 0.00 0.00 34.13 31.20 1wj6 s GLU 64 CO 0.00 0.16 1.82 0.39 0.02 0.00 0.00 175.26 177.65 1wj6 n GLU 65 N 3.77 2.60 -4.08 1.61 1.02 -1.26 -2.18 120.64 122.12 1wj6 n GLU 65 Ca -0.17 0.95 -0.33 0.00 -0.02 0.00 0.00 57.16 57.58 1wj6 n GLU 65 Cb 0.52 -2.82 -0.16 0.00 -0.02 0.00 0.00 31.44 28.97 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 2.85 2.31 -0.04 2.62 1.01 0.36 -4.86 120.40 124.66 1wj6 s VAL 66 Ca 0.84 -0.87 -0.19 0.00 0.00 0.00 0.00 61.98 61.75 1wj6 s VAL 66 Cb -0.54 -2.00 -0.05 0.00 0.00 0.00 0.00 36.38 33.79 1wj6 s VAL 66 CO 0.40 0.50 0.55 -0.94 0.00 0.00 0.00 175.10 175.61 1wj6 s SER 67 N 1.32 6.88 -0.16 3.32 1.04 -1.26 0.25 113.70 125.09 1wj6 s SER 67 Ca 0.05 1.05 -0.08 0.00 0.48 0.00 0.00 55.95 57.44 1wj6 s SER 67 Cb -0.13 -2.33 -0.04 0.00 0.10 0.00 0.00 66.02 63.61 1wj6 s SER 67 CO -0.11 0.09 0.12 -0.63 0.98 0.00 0.00 173.24 173.68 1wj6 s ILE 68 N -0.01 5.29 0.00 -1.02 1.01 -1.25 -4.96 121.20 120.26 1wj6 s ILE 68 Ca 0.29 0.14 0.00 0.00 0.00 0.00 0.00 60.65 61.08 1wj6 s ILE 68 Cb -0.17 -3.36 0.00 0.00 0.01 0.00 0.00 42.46 38.94 1wj6 s ILE 68 CO 0.15 0.53 0.00 0.59 0.00 0.00 0.00 174.94 176.20 1wj6 n ASN 69 N 2.81 3.31 -4.69 3.58 3.02 -1.26 -4.80 115.26 117.23 1wj6 n ASN 69 Ca -0.18 0.00 -0.32 0.00 -0.03 0.00 0.00 54.58 54.05 1wj6 n ASN 69 Cb 0.53 0.00 -0.08 0.00 -0.61 0.00 0.00 39.78 39.63 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 -4.12 3.99 0.07 6.41 0.15 -1.26 -4.86 113.70 114.08 1wj6 s SER 70 Ca 0.00 -1.65 -0.30 0.00 0.70 0.00 0.00 55.95 54.70 1wj6 s SER 70 Cb 0.00 0.50 -0.18 0.00 -1.71 0.00 0.00 66.02 64.63 1wj6 s SER 70 CO 0.00 -0.85 1.60 -0.61 1.20 0.00 0.00 173.24 174.58 1wj6 h GLN 71 N 1.40 -0.66 -0.89 5.44 5.75 -1.98 -2.67 115.11 121.52 1wj6 h GLN 71 Ca -0.43 0.04 0.20 0.00 -0.15 0.00 0.00 58.65 58.32 1wj6 h GLN 71 Cb 1.31 0.15 -0.17 0.00 1.07 0.00 0.00 27.48 29.84 1wj6 h GLN 71 CO 0.73 -0.42 -0.13 0.41 -2.65 0.00 0.00 178.83 176.77 1wj6 n GLY 72 N -1.28 -1.38 0.18 2.39 0.00 -1.26 0.18 105.19 104.02 1wj6 n GLY 72 Ca -0.12 0.92 -0.08 0.00 0.00 0.00 0.00 46.02 46.74 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 0.56 -0.13 1.61 5.08 -1.92 -2.81 114.58 116.97 1wj6 h GLU 73 Ca 0.47 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.76 1wj6 h GLU 73 Cb 0.83 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.95 1wj6 h GLU 73 CO -0.88 0.42 0.02 -0.92 -1.00 0.00 0.00 179.01 176.65 1wj6 h TYR 74 N 0.55 0.23 -0.41 4.33 3.20 0.22 -2.91 116.97 122.19 1wj6 h TYR 74 Ca 0.15 -0.03 0.04 0.00 3.14 0.00 0.00 58.73 62.03 1wj6 h TYR 74 Cb -0.00 -0.06 -0.05 0.00 1.54 0.00 0.00 36.73 38.15 1wj6 h TYR 74 CO -0.03 0.40 -0.28 0.93 -1.64 0.00 0.00 178.16 177.54 1wj6 h GLU 75 N 0.00 -0.05 -0.42 1.82 5.08 0.98 0.47 114.58 122.47 1wj6 h GLU 75 Ca 0.04 0.00 0.07 0.00 -1.00 0.00 0.00 59.36 58.47 1wj6 h GLU 75 Cb 0.29 0.01 -0.09 0.00 0.50 0.00 0.00 28.75 29.46 1wj6 h GLU 75 CO 0.00 -0.03 -0.45 0.93 -1.00 0.00 0.00 179.01 178.46 1wj6 h GLU 76 N -0.05 -0.32 -0.89 2.33 4.39 -1.54 0.40 114.58 118.89 1wj6 h GLU 76 Ca 0.07 0.02 0.23 0.00 0.34 0.00 0.00 59.36 60.02 1wj6 h GLU 76 Cb 0.22 0.07 -0.13 0.00 -0.10 0.00 0.00 28.75 28.81 1wj6 h GLU 76 CO -0.41 -0.22 0.33 0.00 -1.16 0.00 0.00 179.01 177.56 1wj6 h ALA 77 N 0.35 1.39 -0.43 3.43 0.00 -0.92 1.44 119.26 124.52 1wj6 h ALA 77 Ca 0.13 0.19 -0.06 0.00 0.00 0.00 0.00 54.91 55.17 1wj6 h ALA 77 Cb 0.59 0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.58 1wj6 h ALA 77 CO -0.59 -0.42 0.01 -0.07 0.00 0.00 0.00 179.25 178.19 1wj6 h LEU 78 N 0.30 0.66 -0.55 0.00 3.38 0.38 0.72 115.31 120.19 1wj6 h LEU 78 Ca 0.56 -0.14 -0.09 0.00 0.09 0.00 0.00 57.88 58.30 1wj6 h LEU 78 Cb 1.12 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.68 1wj6 h LEU 78 CO -0.59 0.72 -0.00 0.11 0.09 0.00 0.00 178.44 178.77 1wj6 h LYS 79 N 0.65 0.97 -0.39 1.13 1.57 0.51 -2.91 116.57 118.11 1wj6 h LYS 79 Ca 0.13 -0.31 -0.08 0.00 -1.87 0.00 0.00 60.65 58.52 1wj6 h LYS 79 Cb 0.39 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.60 1wj6 h LYS 79 CO 0.01 0.98 -0.08 1.98 -0.57 0.00 0.00 179.45 181.78 1wj6 h MET 80 N 0.86 0.74 -0.91 3.15 4.05 0.23 -2.89 114.93 120.15 1wj6 h MET 80 Ca 0.16 -0.28 0.21 0.00 -0.28 0.00 0.00 59.70 59.51 1wj6 h MET 80 Cb 0.54 -0.05 -0.12 0.00 -0.80 0.00 0.00 31.60 31.17 1wj6 h MET 80 CO 0.03 0.87 0.44 0.00 0.23 0.00 0.00 176.91 178.48 1wj6 h ALA 81 N 0.84 1.48 -0.65 0.39 0.00 -0.72 0.53 119.26 121.13 1wj6 h ALA 81 Ca 0.10 0.14 0.08 0.00 0.00 0.00 0.00 54.91 55.23 1wj6 h ALA 81 Cb 0.59 0.09 -0.07 0.00 0.00 0.00 0.00 17.79 18.41 1wj6 h ALA 81 CO 0.04 -0.28 0.31 0.28 0.00 0.00 0.00 179.25 179.59 1wj6 h VAL 82 N 0.48 0.85 -0.21 0.00 2.07 -1.32 0.51 116.25 118.63 1wj6 h VAL 82 Ca 0.56 -0.19 0.04 0.00 0.82 0.00 0.00 66.70 67.93 1wj6 h VAL 82 Cb 1.02 0.26 -0.04 0.00 -1.52 0.00 0.00 31.29 31.02 1wj6 h VAL 82 CO -0.49 0.10 -0.03 0.11 0.02 0.00 0.00 177.57 177.28 1wj6 h LYS 83 N 0.54 0.03 0.14 1.57 1.57 0.03 -3.11 116.57 117.34 1wj6 h LYS 83 Ca 0.32 -0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 59.09 1wj6 h LYS 83 Cb 0.32 -0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.62 1wj6 h LYS 83 CO -0.25 0.02 -0.11 1.96 -0.57 0.00 0.00 179.45 180.50 1wj6 h GLN 84 N 0.03 -0.23 0.00 3.15 4.20 -0.47 -3.46 115.11 118.33 1wj6 h GLN 84 Ca 0.10 0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.83 1wj6 h GLN 84 Cb 0.15 0.05 0.00 0.00 0.30 0.00 0.00 27.48 27.98 1wj6 h GLN 84 CO -0.20 -0.15 0.00 0.41 -0.67 0.00 0.00 178.83 178.22 1wj6 n GLY 85 N -1.13 0.00 2.25 3.46 0.00 0.01 -4.93 105.19 104.86 1wj6 n GLY 85 Ca -0.03 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.88 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 -3.66 -3.86 1.61 4.13 -0.29 -4.90 115.26 108.30 1wj6 n ASN 86 Ca 0.00 -0.04 -0.09 0.00 1.68 0.00 0.00 54.58 56.13 1wj6 n ASN 86 Cb 0.00 -2.82 -0.08 0.00 -1.54 0.00 0.00 39.78 35.34 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 -4.67 0.77 -0.05 3.52 1.03 -1.13 0.20 119.66 119.33 1wj6 s GLN 87 Ca 0.03 -0.83 -0.04 0.00 0.04 0.00 0.00 55.36 54.57 1wj6 s GLN 87 Cb -0.02 0.31 0.02 0.00 0.03 0.00 0.00 33.01 33.36 1wj6 s GLN 87 CO 0.04 -0.23 0.13 -1.17 -2.54 0.00 0.00 175.29 171.52 1wj6 s LEU 88 N -2.53 1.40 -0.60 2.60 2.96 0.20 -4.21 118.68 118.49 1wj6 s LEU 88 Ca 0.01 0.26 -0.20 0.00 -0.22 0.00 0.00 54.13 53.98 1wj6 s LEU 88 Cb 0.02 0.42 0.09 0.00 0.50 0.00 0.00 46.19 47.23 1wj6 s LEU 88 CO -0.08 -0.06 0.76 -1.10 -1.32 0.00 0.00 176.35 174.55 1wj6 s GLN 89 N 0.24 3.06 0.19 1.98 -1.52 -1.26 0.33 119.66 122.69 1wj6 s GLN 89 Ca -0.01 -1.20 0.06 0.00 -1.95 0.00 0.00 55.36 52.25 1wj6 s GLN 89 Cb -0.03 -4.25 -0.04 0.00 -0.22 0.00 0.00 33.01 28.47 1wj6 s GLN 89 CO -0.01 -1.59 0.16 -1.64 -0.25 0.00 0.00 175.29 171.96 1wj6 s MET 90 N 2.97 2.91 -0.08 2.91 -1.94 0.55 -1.91 119.30 124.71 1wj6 s MET 90 Ca 0.14 -0.94 -0.01 0.00 -1.71 0.00 0.00 55.69 53.17 1wj6 s MET 90 Cb -0.22 -2.62 0.03 0.00 2.01 0.00 0.00 34.83 34.03 1wj6 s MET 90 CO 0.07 0.45 -0.01 -0.65 -0.01 0.00 0.00 175.02 174.88 1wj6 s GLN 91 N -3.36 0.76 0.31 2.03 -0.21 0.52 -0.06 119.66 119.66 1wj6 s GLN 91 Ca 0.32 0.02 -0.29 0.00 0.02 0.00 0.00 55.36 55.43 1wj6 s GLN 91 Cb -0.09 -1.13 -0.10 0.00 1.00 0.00 0.00 33.01 32.69 1wj6 s GLN 91 CO 0.24 -0.31 1.18 0.08 -2.12 0.00 0.00 175.29 174.35 1wj6 s VAL 92 N 1.92 3.19 -0.34 1.09 1.01 -1.23 0.19 120.40 126.23 1wj6 s VAL 92 Ca 0.05 1.17 -0.01 0.00 0.00 0.00 0.00 61.98 63.19 1wj6 s VAL 92 Cb -0.13 -3.73 0.13 0.00 0.00 0.00 0.00 36.38 32.66 1wj6 s VAL 92 CO -0.06 0.25 0.20 -1.00 0.00 0.00 0.00 175.10 174.50 1wj6 s HIS 93 N -1.20 0.55 0.43 5.22 3.76 -1.24 -4.57 115.29 118.24 1wj6 s HIS 93 Ca 0.48 -1.40 -0.19 0.00 -0.15 0.00 0.00 55.06 53.80 1wj6 s HIS 93 Cb -0.34 -0.87 -0.15 0.00 1.11 0.00 0.00 32.58 32.33 1wj6 s HIS 93 CO 0.44 -0.84 -0.01 -1.91 -0.85 0.00 0.00 174.74 171.58 1wj6 n GLU 94 N 4.33 0.00 -0.35 1.40 0.00 -1.26 0.63 120.64 125.39 1wj6 n GLU 94 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.24 1wj6 n GLU 94 Cb 0.39 -0.95 0.00 0.00 0.00 0.00 0.00 31.44 30.87 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 2.30 -3.01 1.64 8.31 0.00 0.84 -4.59 105.19 110.68 1wj6 n GLY 95 Ca 0.09 -0.87 -0.14 0.00 0.00 0.00 0.00 46.02 45.11 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 -0.09 -1.22 -2.92 1.61 7.64 -1.26 -3.68 113.62 113.70 1wj6 n SER 96 Ca 0.00 -0.88 -0.09 0.00 1.01 0.00 0.00 58.87 58.90 1wj6 n SER 96 Cb 0.00 -0.46 0.08 0.00 -1.01 0.00 0.00 64.21 62.82 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 -0.51 -3.03 0.16 0.23 0.00 -1.26 -4.94 105.19 95.84 1wj6 n GLY 97 Ca 0.07 -1.38 -0.06 0.00 0.00 0.00 0.00 46.02 44.65 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 -0.30 -3.31 1.61 0.13 -1.96 -3.50 132.00 124.66 1wj6 h PRO 98 Ca -0.12 0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.03 1wj6 h PRO 98 Cb 0.39 0.07 0.00 0.00 0.13 0.00 0.00 31.00 31.59 1wj6 h PRO 98 CO 0.08 -0.14 -0.75 0.43 -0.23 0.00 0.00 178.00 177.39 1wj6 n SER 99 N -4.98 -7.78 -3.17 1.44 7.64 -1.26 -4.82 113.62 100.69 1wj6 n SER 99 Ca -0.05 1.06 0.00 0.00 1.01 0.00 0.00 58.87 60.90 1wj6 n SER 99 Cb 0.15 -3.85 0.00 0.00 -1.01 0.00 0.00 64.21 59.50 1wj6 n SER 99 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1wj6 n SER 100 N 0.57 -6.59 0.00 6.43 2.88 -1.26 -5.28 113.62 110.37 1wj6 n SER 100 Ca 0.00 0.42 0.00 0.00 -1.33 0.00 0.00 58.87 57.96 1wj6 n SER 100 Cb 0.00 -1.56 0.00 0.00 -0.75 0.00 0.00 64.21 61.90 1wj6 n SER 100 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42