#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 6.51 -0.15 1.61 0.15 -1.26 -5.09 113.70 115.48 1wj6 s SER 2 Ca 0.00 0.73 0.01 0.00 0.70 0.00 0.00 55.95 57.39 1wj6 s SER 2 Cb 0.00 -2.15 0.02 0.00 -1.71 0.00 0.00 66.02 62.18 1wj6 s SER 2 CO 0.00 -0.09 -0.17 -0.94 1.20 0.00 0.00 173.24 173.25 1wj6 s SER 3 N -2.73 2.81 0.00 5.45 1.04 -1.26 -5.10 113.70 113.92 1wj6 s SER 3 Ca 0.44 -0.53 0.00 0.00 0.48 0.00 0.00 55.95 56.34 1wj6 s SER 3 Cb -0.11 -1.27 0.00 0.00 0.10 0.00 0.00 66.02 64.73 1wj6 s SER 3 CO 0.26 -0.01 0.00 0.61 0.98 0.00 0.00 173.24 175.08 1wj6 n GLY 4 N 4.54 -0.29 3.00 7.32 0.00 -1.26 -4.87 105.19 113.63 1wj6 n GLY 4 Ca -0.19 -0.05 -0.32 0.00 0.00 0.00 0.00 46.02 45.47 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 -1.44 4.79 -0.20 1.61 0.15 -1.26 -5.03 113.70 112.31 1wj6 s SER 5 Ca 0.00 -3.13 -0.36 0.00 0.70 0.00 0.00 55.95 53.16 1wj6 s SER 5 Cb 0.00 -1.73 0.15 0.00 -1.71 0.00 0.00 66.02 62.73 1wj6 s SER 5 CO 0.00 -0.25 1.36 -0.55 1.20 0.00 0.00 173.24 175.00 1wj6 s SER 6 N -0.14 -0.04 -0.51 5.45 0.15 -1.26 -5.10 113.70 112.26 1wj6 s SER 6 Ca 0.19 -0.01 0.05 0.00 0.70 0.00 0.00 55.95 56.88 1wj6 s SER 6 Cb -0.20 0.05 0.19 0.00 -1.71 0.00 0.00 66.02 64.35 1wj6 s SER 6 CO -0.04 -0.08 0.46 0.61 1.20 0.00 0.00 173.24 175.39 1wj6 n GLY 7 N -0.17 3.06 0.10 9.45 0.00 -1.26 -4.94 105.19 111.43 1wj6 n GLY 7 Ca -0.00 -1.85 -0.15 0.00 0.00 0.00 0.00 46.02 44.02 1wj6 n GLY 7 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wj6 h PRO 8 N 5.09 0.21 -7.15 1.61 0.13 -2.03 -3.45 132.00 126.40 1wj6 h PRO 8 Ca 0.19 -0.20 -0.54 0.00 -0.87 0.00 0.00 66.00 64.58 1wj6 h PRO 8 Cb 0.84 0.05 0.16 0.00 0.13 0.00 0.00 31.00 32.17 1wj6 h PRO 8 CO 0.53 0.91 0.43 -3.38 -0.23 0.00 0.00 178.00 176.26 1wj6 s HIS 9 N -3.29 2.06 0.26 1.56 -3.43 -1.26 -5.03 115.29 106.16 1wj6 s HIS 9 Ca -0.15 1.57 0.11 0.00 -0.80 0.00 0.00 55.06 55.78 1wj6 s HIS 9 Cb 0.02 -3.54 -0.05 0.00 -1.43 0.00 0.00 32.58 27.58 1wj6 s HIS 9 CO 0.75 -2.69 -0.19 -1.12 -2.00 0.00 0.00 174.74 169.48 1wj6 s SER 10 N -1.82 3.36 -0.19 7.38 0.01 -1.26 -4.96 113.70 116.22 1wj6 s SER 10 Ca 0.77 -1.01 -0.10 0.00 1.31 0.00 0.00 55.95 56.92 1wj6 s SER 10 Cb -0.32 -0.26 0.04 0.00 0.21 0.00 0.00 66.02 65.69 1wj6 s SER 10 CO 0.43 0.00 0.19 0.23 0.41 0.00 0.00 173.24 174.50 1wj6 n MET 11 N -0.49 -4.02 -2.85 12.44 2.81 -1.26 -5.01 117.12 118.75 1wj6 n MET 11 Ca -0.06 3.09 -0.29 0.00 -1.81 0.00 0.00 57.70 58.63 1wj6 n MET 11 Cb 0.60 -4.75 -0.02 0.00 -0.71 0.00 0.00 33.22 28.34 1wj6 n MET 11 CO 0.00 0.00 0.00 -1.21 1.51 0.00 0.00 175.97 176.27 1wj6 s GLU 12 N -0.85 3.66 -0.08 0.03 8.01 -1.26 -5.02 118.70 123.19 1wj6 s GLU 12 Ca -0.22 0.28 -0.27 0.00 0.01 0.00 0.00 54.97 54.77 1wj6 s GLU 12 Cb 0.01 -2.43 -0.22 0.00 -4.31 0.00 0.00 34.13 27.18 1wj6 s GLU 12 CO 0.72 -0.06 0.99 -1.00 0.01 0.00 0.00 175.26 175.92 1wj6 h PRO 13 N 0.90 -0.01 -5.33 0.39 0.13 -1.94 -3.46 132.00 122.69 1wj6 h PRO 13 Ca -0.47 0.00 -0.77 0.00 -0.87 0.00 0.00 66.00 63.89 1wj6 h PRO 13 Cb 1.20 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.34 1wj6 h PRO 13 CO 0.63 0.71 0.50 0.00 -0.23 0.00 0.00 178.00 179.61 1wj6 n GLN 14 N -4.74 0.00 -4.13 0.86 10.64 -1.25 -4.72 117.38 114.03 1wj6 n GLN 14 Ca -0.09 0.00 -0.30 0.00 -1.83 0.00 0.00 57.00 54.77 1wj6 n GLN 14 Cb 0.36 -1.33 -0.08 0.00 -0.86 0.00 0.00 30.24 28.33 1wj6 n GLN 14 CO 0.00 0.00 0.00 0.08 -1.83 0.00 0.00 177.06 175.31 1wj6 s VAL 15 N 2.14 4.12 -0.48 -0.39 1.01 -0.76 -4.85 120.40 121.19 1wj6 s VAL 15 Ca 0.91 -0.90 -0.15 0.00 0.00 0.00 0.00 61.98 61.83 1wj6 s VAL 15 Cb -1.29 -2.95 0.08 0.00 0.00 0.00 0.00 36.38 32.22 1wj6 s VAL 15 CO 0.68 0.15 0.40 -0.89 0.00 0.00 0.00 175.10 175.45 1wj6 s THR 16 N -1.30 5.18 -0.66 3.92 2.01 0.42 -0.40 115.64 124.82 1wj6 s THR 16 Ca 0.26 -1.13 -0.23 0.00 0.31 0.00 0.00 61.69 60.90 1wj6 s THR 16 Cb -0.12 -4.12 0.07 0.00 0.01 0.00 0.00 72.50 68.34 1wj6 s THR 16 CO 0.18 -0.61 0.97 -0.76 -0.69 0.00 0.00 174.62 173.70 1wj6 s LEU 17 N 1.62 4.37 -0.61 4.42 1.43 -0.19 0.46 118.68 130.18 1wj6 s LEU 17 Ca 0.04 -0.98 -0.21 0.00 -1.03 0.00 0.00 54.13 51.95 1wj6 s LEU 17 Cb -0.25 -2.43 0.07 0.00 0.03 0.00 0.00 46.19 43.62 1wj6 s LEU 17 CO 0.06 -1.44 0.85 0.20 0.23 0.00 0.00 176.35 176.25 1wj6 s ASN 18 N 3.67 6.20 -0.07 2.29 0.01 0.10 0.03 114.94 127.16 1wj6 s ASN 18 Ca 0.22 -1.03 -0.17 0.00 -0.71 0.00 0.00 52.86 51.17 1wj6 s ASN 18 Cb -0.17 -2.37 -0.05 0.00 0.41 0.00 0.00 41.25 39.07 1wj6 s ASN 18 CO 0.10 -1.27 0.45 -0.69 -1.51 0.00 0.00 177.10 174.18 1wj6 s VAL 19 N 3.52 5.12 -0.35 1.60 1.01 0.98 0.15 120.40 132.43 1wj6 s VAL 19 Ca 0.19 0.91 0.02 0.00 0.00 0.00 0.00 61.98 63.10 1wj6 s VAL 19 Cb -0.19 -3.78 0.11 0.00 0.00 0.00 0.00 36.38 32.52 1wj6 s VAL 19 CO 0.10 0.42 0.11 -0.89 0.00 0.00 0.00 175.10 174.84 1wj6 s THR 20 N 0.01 1.62 -0.53 3.92 2.01 0.22 0.11 115.64 123.00 1wj6 s THR 20 Ca 0.25 -2.05 -0.17 0.00 0.31 0.00 0.00 61.69 60.03 1wj6 s THR 20 Cb -0.16 -2.19 0.09 0.00 0.01 0.00 0.00 72.50 70.25 1wj6 s THR 20 CO 0.11 -0.68 0.56 0.12 -0.69 0.00 0.00 174.62 174.04 1wj6 s PHE 21 N 1.05 3.14 0.00 4.92 5.36 0.34 -2.59 117.98 130.20 1wj6 s PHE 21 Ca 0.12 -0.95 0.00 0.00 -0.96 0.00 0.00 56.93 55.14 1wj6 s PHE 21 Cb -0.19 -3.65 0.00 0.00 -0.34 0.00 0.00 43.02 38.84 1wj6 s PHE 21 CO -0.14 -1.04 0.00 1.63 -1.46 0.00 0.00 175.22 174.21 1wj6 n LYS 22 N 5.73 0.00 0.00 10.12 5.02 -1.26 0.07 118.16 137.84 1wj6 n LYS 22 Ca -0.11 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.18 1wj6 n LYS 22 Cb 0.43 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.44 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 5.09 0.67 -4.72 4.39 2.85 -1.26 -5.01 115.26 117.27 1wj6 n ASN 23 Ca 0.00 -0.85 -0.38 0.00 -0.11 0.00 0.00 54.58 53.25 1wj6 n ASN 23 Cb 0.00 0.28 -0.06 0.00 1.24 0.00 0.00 39.78 41.24 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 4.34 -0.06 1.20 8.01 0.11 -5.07 118.70 126.96 1wj6 s GLU 24 Ca 0.00 0.48 0.06 0.00 0.01 0.00 0.00 54.97 55.51 1wj6 s GLU 24 Cb 0.00 -3.43 -0.01 0.00 -4.31 0.00 0.00 34.13 26.37 1wj6 s GLU 24 CO 0.00 0.16 -0.23 0.42 0.01 0.00 0.00 175.26 175.62 1wj6 s ILE 25 N 0.62 2.24 0.16 -1.63 1.01 -1.26 0.13 121.20 122.46 1wj6 s ILE 25 Ca 0.27 -1.00 -0.01 0.00 0.00 0.00 0.00 60.65 59.90 1wj6 s ILE 25 Cb -0.15 -1.82 -0.04 0.00 0.01 0.00 0.00 42.46 40.45 1wj6 s ILE 25 CO 0.11 0.57 0.09 -1.10 0.00 0.00 0.00 174.94 174.60 1wj6 s GLN 26 N -0.22 1.05 -0.04 2.79 -0.21 0.31 -4.98 119.66 118.36 1wj6 s GLN 26 Ca -0.01 -1.52 -0.01 0.00 0.02 0.00 0.00 55.36 53.83 1wj6 s GLN 26 Cb -0.13 0.24 0.03 0.00 1.00 0.00 0.00 33.01 34.15 1wj6 s GLN 26 CO 0.03 -0.31 0.06 0.45 -2.12 0.00 0.00 175.29 173.40 1wj6 s SER 27 N -3.10 0.28 -0.22 5.90 0.15 -1.25 -0.01 113.70 115.45 1wj6 s SER 27 Ca 0.31 0.11 0.01 0.00 0.70 0.00 0.00 55.95 57.08 1wj6 s SER 27 Cb 0.07 -0.02 0.05 0.00 -1.71 0.00 0.00 66.02 64.42 1wj6 s SER 27 CO 0.06 -0.16 -0.09 -0.36 1.20 0.00 0.00 173.24 173.89 1wj6 s PHE 28 N 1.38 2.52 0.08 3.44 0.08 0.10 -4.91 117.98 120.67 1wj6 s PHE 28 Ca -0.06 -1.73 -0.30 0.00 0.12 0.00 0.00 56.93 54.96 1wj6 s PHE 28 Cb -0.12 -1.66 -0.06 0.00 -0.57 0.00 0.00 43.02 40.61 1wj6 s PHE 28 CO -0.04 -0.77 1.11 -1.17 -0.10 0.00 0.00 175.22 174.25 1wj6 s LEU 29 N 1.36 4.41 -0.54 -0.37 2.96 -1.26 -1.03 118.68 124.21 1wj6 s LEU 29 Ca -0.03 1.94 0.04 0.00 -0.22 0.00 0.00 54.13 55.86 1wj6 s LEU 29 Cb -0.17 -3.58 0.13 0.00 0.50 0.00 0.00 46.19 43.07 1wj6 s LEU 29 CO -0.07 -0.33 0.29 -0.69 -1.32 0.00 0.00 176.35 174.22 1wj6 s VAL 30 N 0.64 2.64 -0.60 1.68 1.01 0.46 -4.91 120.40 121.32 1wj6 s VAL 30 Ca 0.54 -3.43 0.14 0.00 0.00 0.00 0.00 61.98 59.23 1wj6 s VAL 30 Cb -0.27 -2.82 0.14 0.00 0.00 0.00 0.00 36.38 33.43 1wj6 s VAL 30 CO 0.30 -0.82 1.44 -1.54 0.00 0.00 0.00 175.10 174.48 1wj6 n SER 31 N 2.98 0.33 -3.30 3.32 3.41 -1.26 -1.82 113.62 117.28 1wj6 n SER 31 Ca 0.07 0.63 -0.25 0.00 -0.26 0.00 0.00 58.87 59.05 1wj6 n SER 31 Cb 0.32 -0.68 -0.08 0.00 -0.26 0.00 0.00 64.21 63.52 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 -1.92 1.54 -0.02 4.04 8.00 -1.26 -4.23 116.55 122.69 1wj6 n ASP 32 Ca 0.00 -2.97 -0.16 0.00 0.71 0.00 0.00 54.79 52.37 1wj6 n ASP 32 Cb 0.08 -0.65 -0.11 0.00 -0.02 0.00 0.00 41.12 40.42 1wj6 n ASP 32 CO 0.00 0.00 0.00 1.55 -0.39 0.00 0.00 177.20 178.36 1wj6 h PRO 33 N 4.15 0.32 -0.37 -0.24 0.13 -1.82 0.40 132.00 134.57 1wj6 h PRO 33 Ca 0.13 -0.31 0.00 0.00 -0.87 0.00 0.00 66.00 64.95 1wj6 h PRO 33 Cb 0.80 0.08 0.00 0.00 0.13 0.00 0.00 31.00 32.01 1wj6 h PRO 33 CO 0.60 0.99 0.00 0.39 -0.23 0.00 0.00 178.00 179.75 1wj6 n GLU 34 N -4.37 1.56 0.04 0.86 1.02 -1.26 -3.95 120.64 114.53 1wj6 n GLU 34 Ca -0.09 -0.68 0.00 0.00 -0.02 0.00 0.00 57.16 56.37 1wj6 n GLU 34 Cb 0.57 -1.29 0.00 0.00 -0.02 0.00 0.00 31.44 30.70 1wj6 n GLU 34 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 1wj6 n ASN 35 N 0.06 0.73 -3.58 1.62 4.05 -1.18 -5.07 115.26 111.89 1wj6 n ASN 35 Ca 0.06 0.11 -0.22 0.00 0.45 0.00 0.00 54.58 54.98 1wj6 n ASN 35 Cb 0.24 -0.21 0.19 0.00 1.23 0.00 0.00 39.78 41.23 1wj6 n ASN 35 CO 0.00 0.00 0.00 1.07 -3.05 0.00 0.00 177.26 175.28 1wj6 n THR 36 N -3.34 0.00 -4.32 -0.44 5.66 0.14 -5.03 114.28 106.96 1wj6 n THR 36 Ca 0.00 -0.06 -0.25 0.00 -3.05 0.00 0.00 64.05 60.69 1wj6 n THR 36 Cb 0.15 -0.64 -0.13 0.00 -1.55 0.00 0.00 70.33 68.16 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 -2.10 1.87 0.28 1.09 -4.23 -1.26 -4.94 115.64 106.35 1wj6 s THR 37 Ca 0.46 -1.63 0.01 0.00 -1.18 0.00 0.00 61.69 59.35 1wj6 s THR 37 Cb -0.09 -1.70 0.28 0.00 1.34 0.00 0.00 72.50 72.34 1wj6 s THR 37 CO 0.42 -0.03 1.86 -0.25 -0.54 0.00 0.00 174.62 176.08 1wj6 h TRP 38 N 3.97 1.14 -0.95 3.99 -0.00 -1.89 0.25 115.95 122.45 1wj6 h TRP 38 Ca -0.47 0.03 0.11 0.00 -0.00 0.00 0.00 58.89 58.56 1wj6 h TRP 38 Cb 1.18 -0.37 -0.07 0.00 -0.00 0.00 0.00 29.16 29.90 1wj6 h TRP 38 CO 0.62 0.51 0.61 0.00 -0.00 0.00 0.00 178.44 180.17 1wj6 h ALA 39 N 1.51 1.60 -0.43 2.65 0.00 -1.93 0.82 119.26 123.48 1wj6 h ALA 39 Ca 0.46 0.01 -0.11 0.00 0.00 0.00 0.00 54.91 55.28 1wj6 h ALA 39 Cb 0.37 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 1wj6 h ALA 39 CO -0.22 0.18 -0.16 -0.44 0.00 0.00 0.00 179.25 178.61 1wj6 h ASP 40 N 0.93 0.82 0.50 0.00 5.19 -0.96 -2.61 116.42 120.29 1wj6 h ASP 40 Ca 0.46 -0.27 -0.02 0.00 -0.62 0.00 0.00 57.03 56.57 1wj6 h ASP 40 Cb 0.47 -0.22 0.00 0.00 0.18 0.00 0.00 39.33 39.77 1wj6 h ASP 40 CO -0.22 0.98 -0.24 0.40 -3.12 0.00 0.00 179.24 177.04 1wj6 h ILE 41 N 0.73 0.05 -0.54 0.35 1.08 0.22 -2.00 117.51 117.38 1wj6 h ILE 41 Ca 0.11 -0.51 0.05 0.00 -0.39 0.00 0.00 64.86 64.12 1wj6 h ILE 41 Cb 0.67 0.07 -0.06 0.00 -3.07 0.00 0.00 36.82 34.43 1wj6 h ILE 41 CO 0.05 0.01 -0.32 1.21 -0.69 0.00 0.00 178.15 178.41 1wj6 n GLU 42 N -5.23 -0.24 0.03 2.37 2.13 0.26 -0.33 120.64 119.63 1wj6 n GLU 42 Ca -0.09 1.16 -0.13 0.00 0.66 0.00 0.00 57.16 58.76 1wj6 n GLU 42 Cb 0.28 -1.72 -0.07 0.00 0.27 0.00 0.00 31.44 30.20 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 -0.07 -0.66 -0.68 4.31 0.00 -1.56 0.31 119.26 120.90 1wj6 h ALA 43 Ca 0.09 -0.03 0.06 0.00 0.00 0.00 0.00 54.91 55.03 1wj6 h ALA 43 Cb 0.22 0.79 -0.08 0.00 0.00 0.00 0.00 17.79 18.72 1wj6 h ALA 43 CO -0.51 -0.96 -0.40 -0.12 0.00 0.00 0.00 179.25 177.26 1wj6 n MET 44 N -5.44 -0.30 -0.25 0.00 0.00 0.55 0.18 117.12 111.85 1wj6 n MET 44 Ca -0.05 1.29 -0.01 0.00 -0.00 0.00 0.00 57.70 58.93 1wj6 n MET 44 Cb 0.37 -1.90 0.11 0.00 0.00 0.00 0.00 33.22 31.81 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 0.98 0.00 1.12 2.07 -0.34 1.51 116.25 121.59 1wj6 h VAL 45 Ca 0.11 -0.26 0.00 0.00 0.82 0.00 0.00 66.70 67.37 1wj6 h VAL 45 Cb 0.28 0.16 0.00 0.00 -1.52 0.00 0.00 31.29 30.20 1wj6 h VAL 45 CO -0.64 0.14 0.00 0.29 0.02 0.00 0.00 177.57 177.38 1wj6 n LYS 46 N -4.75 0.00 -0.24 1.57 5.02 0.22 -1.08 118.16 118.90 1wj6 n LYS 46 Ca 0.10 0.56 0.03 0.00 -2.02 0.00 0.00 58.31 56.98 1wj6 n LYS 46 Cb 0.18 -1.49 0.16 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 0.68 -1.08 -0.18 -1.51 0.20 1.59 116.25 115.96 1wj6 h VAL 47 Ca 0.00 -0.14 0.29 0.00 -1.23 0.00 0.00 66.70 65.62 1wj6 h VAL 47 Cb 0.00 0.23 -0.08 0.00 -2.13 0.00 0.00 31.29 29.31 1wj6 h VAL 47 CO 0.00 0.08 0.73 0.28 -1.23 0.00 0.00 177.57 177.42 1wj6 h SER 48 N 0.42 0.27 -0.03 4.19 0.02 0.23 0.39 113.55 119.04 1wj6 h SER 48 Ca 0.38 0.05 0.00 0.00 -0.84 0.00 0.00 61.79 61.38 1wj6 h SER 48 Cb 0.55 0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.10 1wj6 h SER 48 CO -0.38 0.05 0.00 0.49 -1.14 0.00 0.00 176.83 175.85 1wj6 n PHE 49 N -4.46 0.09 -3.32 3.45 3.01 0.13 -5.03 117.46 111.33 1wj6 n PHE 49 Ca 0.25 -0.92 -0.22 0.00 1.01 0.00 0.00 57.45 57.58 1wj6 n PHE 49 Cb 1.01 -0.15 0.02 0.00 -0.01 0.00 0.00 39.48 40.35 1wj6 n PHE 49 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52 1wj6 n ASP 50 N -1.20 -6.14 -3.92 4.37 9.92 0.50 -4.99 116.55 115.08 1wj6 n ASP 50 Ca 0.14 0.15 -0.10 0.00 -0.53 0.00 0.00 54.79 54.45 1wj6 n ASP 50 Cb 0.61 -2.00 -0.12 0.00 -0.64 0.00 0.00 41.12 38.97 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 -1.90 2.06 -0.16 0.64 1.43 -0.66 -4.95 118.68 115.14 1wj6 s LEU 51 Ca 0.22 -0.26 -0.15 0.00 -1.03 0.00 0.00 54.13 52.91 1wj6 s LEU 51 Cb -0.03 0.14 -0.23 0.00 0.03 0.00 0.00 46.19 46.10 1wj6 s LEU 51 CO 0.55 -0.19 0.34 0.78 0.23 0.00 0.00 176.35 178.06 1wj6 h ASN 52 N 5.21 0.22 -3.35 2.29 2.35 -1.94 -3.41 115.58 116.95 1wj6 h ASN 52 Ca -0.29 -0.73 -0.41 0.00 -0.55 0.00 0.00 56.30 54.32 1wj6 h ASN 52 Cb 1.21 -0.07 -0.37 0.00 0.05 0.00 0.00 38.32 39.14 1wj6 h ASN 52 CO 0.44 1.64 -0.76 0.42 -1.65 0.00 0.00 177.43 177.52 1wj6 s THR 53 N -2.45 0.31 0.16 2.81 -4.23 -1.26 -4.99 115.64 105.98 1wj6 s THR 53 Ca -0.25 0.11 0.02 0.00 -1.18 0.00 0.00 61.69 60.39 1wj6 s THR 53 Cb 0.06 -0.44 -0.05 0.00 1.34 0.00 0.00 72.50 73.41 1wj6 s THR 53 CO 0.69 0.22 -0.03 0.27 -0.54 0.00 0.00 174.62 175.23 1wj6 s ILE 54 N 1.62 0.76 -0.43 2.99 -4.36 -1.26 -0.13 121.20 120.38 1wj6 s ILE 54 Ca -0.01 -1.98 0.10 0.00 -0.26 0.00 0.00 60.65 58.49 1wj6 s ILE 54 Cb -0.13 -2.00 0.33 0.00 1.25 0.00 0.00 42.46 41.91 1wj6 s ILE 54 CO -0.03 -0.59 0.75 1.67 0.24 0.00 0.00 174.94 176.97 1wj6 n GLN 55 N -0.20 1.51 -1.10 0.37 -0.06 0.48 -4.74 117.38 113.65 1wj6 n GLN 55 Ca -0.08 -3.75 -0.35 0.00 -2.00 0.00 0.00 57.00 50.81 1wj6 n GLN 55 Cb 0.62 -1.78 0.02 0.00 -4.06 0.00 0.00 30.24 25.04 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 0.36 0.00 -3.66 1.69 5.41 -1.26 -3.83 119.36 118.07 1wj6 n ILE 56 Ca 0.26 -0.46 -0.08 0.00 1.00 0.00 0.00 62.75 63.47 1wj6 n ILE 56 Cb 0.57 0.00 -0.09 0.00 -0.71 0.00 0.00 39.64 39.41 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 -1.13 0.35 -0.01 0.38 1.02 0.83 -3.67 119.74 117.51 1wj6 s LYS 57 Ca 0.49 1.08 0.02 0.00 0.02 0.00 0.00 55.97 57.57 1wj6 s LYS 57 Cb -0.39 0.39 -0.04 0.00 -0.52 0.00 0.00 37.83 37.27 1wj6 s LYS 57 CO 0.64 -0.25 -0.02 1.52 -0.92 0.00 0.00 175.35 176.33 1wj6 s TYR 58 N 2.64 3.03 0.08 3.18 -0.85 0.20 0.17 117.35 125.81 1wj6 s TYR 58 Ca -0.02 0.06 -0.30 0.00 -0.52 0.00 0.00 57.07 56.29 1wj6 s TYR 58 Cb -0.12 -1.66 -0.05 0.00 0.38 0.00 0.00 41.96 40.51 1wj6 s TYR 58 CO -0.13 0.44 1.05 -0.51 -1.52 0.00 0.00 175.55 174.88 1wj6 s LEU 59 N -1.47 4.42 0.00 -3.49 1.43 -0.76 0.11 118.68 118.93 1wj6 s LEU 59 Ca 0.18 1.86 0.00 0.00 -1.03 0.00 0.00 54.13 55.14 1wj6 s LEU 59 Cb -0.11 -3.58 0.00 0.00 0.03 0.00 0.00 46.19 42.52 1wj6 s LEU 59 CO 0.09 -0.26 0.00 -0.90 0.23 0.00 0.00 176.35 175.51 1wj6 n ASP 60 N 3.34 0.00 0.00 2.29 5.75 -0.93 -4.74 116.55 122.26 1wj6 n ASP 60 Ca 0.05 -0.96 0.04 0.00 -0.01 0.00 0.00 54.79 53.91 1wj6 n ASP 60 Cb 0.49 0.00 0.19 0.00 -1.03 0.00 0.00 41.12 40.76 1wj6 n ASP 60 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 1wj6 n GLU 61 N -0.96 0.04 0.00 0.11 1.02 -1.26 -0.39 120.64 119.20 1wj6 n GLU 61 Ca 0.00 0.31 0.10 0.00 -0.02 0.00 0.00 57.16 57.55 1wj6 n GLU 61 Cb 0.00 -1.50 0.01 0.00 -0.02 0.00 0.00 31.44 29.93 1wj6 n GLU 61 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1wj6 n GLU 62 N -1.43 1.40 -1.87 3.49 -0.58 -1.26 -4.95 120.64 115.44 1wj6 n GLU 62 Ca 0.03 -1.05 -0.08 0.00 -0.42 0.00 0.00 57.16 55.63 1wj6 n GLU 62 Cb 0.09 -1.44 -0.01 0.00 -0.57 0.00 0.00 31.44 29.51 1wj6 n GLU 62 CO 0.00 0.00 0.00 -1.71 -0.48 0.00 0.00 177.13 174.94 1wj6 n ASN 63 N 0.10 -3.24 -4.53 1.62 5.15 0.47 -5.01 115.26 109.81 1wj6 n ASN 63 Ca 0.09 0.06 -0.34 0.00 -0.60 0.00 0.00 54.58 53.79 1wj6 n ASN 63 Cb 0.46 -2.21 -0.11 0.00 -0.53 0.00 0.00 39.78 37.38 1wj6 n ASN 63 CO 0.00 0.00 0.00 -1.83 1.40 0.00 0.00 177.26 176.83 1wj6 s GLU 64 N -3.87 3.75 0.01 1.20 -1.05 -1.26 -4.78 118.70 112.71 1wj6 s GLU 64 Ca 0.00 -0.47 -0.31 0.00 -0.15 0.00 0.00 54.97 54.04 1wj6 s GLU 64 Cb 0.00 -3.01 -0.10 0.00 -0.44 0.00 0.00 34.13 30.58 1wj6 s GLU 64 CO 0.00 0.24 1.94 0.39 0.95 0.00 0.00 175.26 178.77 1wj6 n GLU 65 N 3.58 2.67 -4.32 -4.83 1.02 -1.26 -2.20 120.64 115.31 1wj6 n GLU 65 Ca -0.17 0.98 -0.33 0.00 -0.02 0.00 0.00 57.16 57.62 1wj6 n GLU 65 Cb 0.52 -2.90 -0.16 0.00 -0.02 0.00 0.00 31.44 28.88 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 4.20 2.23 0.10 2.62 1.01 0.31 -4.84 120.40 126.04 1wj6 s VAL 66 Ca 0.89 -0.90 -0.19 0.00 0.00 0.00 0.00 61.98 61.79 1wj6 s VAL 66 Cb -0.51 -1.93 -0.07 0.00 0.00 0.00 0.00 36.38 33.87 1wj6 s VAL 66 CO 0.44 0.53 0.58 -0.94 0.00 0.00 0.00 175.10 175.72 1wj6 s SER 67 N 1.10 7.04 -0.07 3.32 1.04 -1.26 0.62 113.70 125.49 1wj6 s SER 67 Ca 0.00 1.26 -0.04 0.00 0.48 0.00 0.00 55.95 57.65 1wj6 s SER 67 Cb -0.14 -2.36 -0.04 0.00 0.10 0.00 0.00 66.02 63.58 1wj6 s SER 67 CO -0.07 0.23 0.09 -0.63 0.98 0.00 0.00 173.24 173.83 1wj6 s ILE 68 N -1.20 4.96 0.00 -1.02 1.01 -1.24 -4.98 121.20 118.73 1wj6 s ILE 68 Ca 0.32 -0.10 0.00 0.00 0.00 0.00 0.00 60.65 60.87 1wj6 s ILE 68 Cb -0.19 -3.18 0.00 0.00 0.01 0.00 0.00 42.46 39.10 1wj6 s ILE 68 CO 0.19 0.53 0.00 0.59 0.00 0.00 0.00 174.94 176.25 1wj6 n ASN 69 N 1.76 1.58 -4.76 3.58 3.02 -1.26 -4.82 115.26 114.35 1wj6 n ASN 69 Ca -0.17 0.00 -0.32 0.00 -0.03 0.00 0.00 54.58 54.06 1wj6 n ASN 69 Cb 0.54 0.00 -0.07 0.00 -0.61 0.00 0.00 39.78 39.64 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 -4.31 4.17 0.06 6.41 0.15 -1.26 -4.91 113.70 114.01 1wj6 s SER 70 Ca 0.00 -1.57 -0.29 0.00 0.70 0.00 0.00 55.95 54.80 1wj6 s SER 70 Cb 0.00 0.39 -0.17 0.00 -1.71 0.00 0.00 66.02 64.53 1wj6 s SER 70 CO 0.00 -0.83 1.58 -0.61 1.20 0.00 0.00 173.24 174.58 1wj6 h GLN 71 N 1.33 -0.53 -0.97 5.44 5.75 -1.98 -2.73 115.11 121.42 1wj6 h GLN 71 Ca -0.43 0.04 0.20 0.00 -0.15 0.00 0.00 58.65 58.30 1wj6 h GLN 71 Cb 1.30 0.12 -0.18 0.00 1.07 0.00 0.00 27.48 29.79 1wj6 h GLN 71 CO 0.73 -0.32 -0.22 0.41 -2.65 0.00 0.00 178.83 176.78 1wj6 n GLY 72 N -1.14 -1.60 0.21 2.39 0.00 -1.26 0.14 105.19 103.94 1wj6 n GLY 72 Ca -0.11 1.03 -0.05 0.00 0.00 0.00 0.00 46.02 46.89 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 0.58 0.04 1.61 5.08 -1.93 -2.30 114.58 117.66 1wj6 h GLU 73 Ca 0.47 -0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.80 1wj6 h GLU 73 Cb 0.75 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.87 1wj6 h GLU 73 CO -0.99 0.38 -0.02 -0.92 -1.00 0.00 0.00 179.01 176.47 1wj6 h TYR 74 N 0.60 -0.05 -0.34 4.33 3.20 0.15 -2.96 116.97 121.90 1wj6 h TYR 74 Ca 0.22 -0.00 0.03 0.00 3.14 0.00 0.00 58.73 62.12 1wj6 h TYR 74 Cb 0.05 0.02 -0.05 0.00 1.54 0.00 0.00 36.73 38.29 1wj6 h TYR 74 CO -0.07 0.25 -0.28 0.93 -1.64 0.00 0.00 178.16 177.35 1wj6 h GLU 75 N -0.36 -0.10 -0.85 1.82 5.08 0.89 0.28 114.58 121.35 1wj6 h GLU 75 Ca -0.01 0.01 0.20 0.00 -1.00 0.00 0.00 59.36 58.56 1wj6 h GLU 75 Cb 0.33 0.02 -0.16 0.00 0.50 0.00 0.00 28.75 29.44 1wj6 h GLU 75 CO 0.01 -0.07 -0.07 0.93 -1.00 0.00 0.00 179.01 178.82 1wj6 h GLU 76 N -0.10 0.04 -0.70 2.33 4.39 -1.48 0.99 114.58 120.04 1wj6 h GLU 76 Ca 0.06 -0.00 0.08 0.00 0.34 0.00 0.00 59.36 59.83 1wj6 h GLU 76 Cb 0.25 -0.01 -0.06 0.00 -0.10 0.00 0.00 28.75 28.83 1wj6 h GLU 76 CO -0.38 0.03 0.37 0.00 -1.16 0.00 0.00 179.01 177.88 1wj6 h ALA 77 N 1.83 0.96 -0.37 3.43 0.00 -0.54 0.22 119.26 124.80 1wj6 h ALA 77 Ca 0.46 0.04 0.01 0.00 0.00 0.00 0.00 54.91 55.42 1wj6 h ALA 77 Cb 0.82 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.50 1wj6 h ALA 77 CO -0.81 0.01 0.24 -0.07 0.00 0.00 0.00 179.25 178.63 1wj6 h LEU 78 N 0.66 0.38 -0.59 0.00 3.38 0.42 0.33 115.31 119.89 1wj6 h LEU 78 Ca 0.33 -0.01 -0.13 0.00 0.09 0.00 0.00 57.88 58.16 1wj6 h LEU 78 Cb 0.29 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 1wj6 h LEU 78 CO -0.23 0.27 -0.28 0.11 0.09 0.00 0.00 178.44 178.41 1wj6 h LYS 79 N 0.45 0.83 -0.20 1.13 1.57 0.12 -2.93 116.57 117.53 1wj6 h LYS 79 Ca 0.14 -0.37 -0.20 0.00 -1.87 0.00 0.00 60.65 58.35 1wj6 h LYS 79 Cb 0.02 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.31 1wj6 h LYS 79 CO -0.03 1.00 -0.66 1.98 -0.57 0.00 0.00 179.45 181.17 1wj6 h MET 80 N 0.70 0.77 -0.93 3.15 4.05 0.46 -3.04 114.93 120.09 1wj6 h MET 80 Ca 0.08 -0.55 0.17 0.00 -0.28 0.00 0.00 59.70 59.12 1wj6 h MET 80 Cb 0.82 0.09 -0.08 0.00 -0.80 0.00 0.00 31.60 31.63 1wj6 h MET 80 CO 0.07 1.17 0.59 0.00 0.23 0.00 0.00 176.91 178.98 1wj6 h ALA 81 N 0.69 1.89 -0.68 0.39 0.00 -0.31 0.37 119.26 121.60 1wj6 h ALA 81 Ca -0.02 0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.85 1wj6 h ALA 81 Cb 1.27 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.94 1wj6 h ALA 81 CO 0.14 -0.17 0.13 0.28 0.00 0.00 0.00 179.25 179.63 1wj6 h VAL 82 N 0.64 1.26 -0.21 0.00 2.07 -1.40 0.69 116.25 119.30 1wj6 h VAL 82 Ca 0.49 -1.01 0.02 0.00 0.82 0.00 0.00 66.70 67.01 1wj6 h VAL 82 Cb 0.88 0.60 -0.02 0.00 -1.52 0.00 0.00 31.29 31.23 1wj6 h VAL 82 CO -0.24 0.38 0.09 0.11 0.02 0.00 0.00 177.57 177.93 1wj6 h LYS 83 N 1.04 0.19 0.43 1.57 1.57 -0.28 -3.17 116.57 117.92 1wj6 h LYS 83 Ca 0.21 -0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 58.96 1wj6 h LYS 83 Cb 0.41 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.68 1wj6 h LYS 83 CO 0.01 0.13 -0.21 1.96 -0.57 0.00 0.00 179.45 180.77 1wj6 h GLN 84 N 0.20 -0.56 0.00 3.15 4.20 -0.95 -3.46 115.11 117.69 1wj6 h GLN 84 Ca 0.09 0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.84 1wj6 h GLN 84 Cb 0.05 0.13 0.00 0.00 0.30 0.00 0.00 27.48 27.95 1wj6 h GLN 84 CO -0.08 -0.37 0.00 0.41 -0.67 0.00 0.00 178.83 178.12 1wj6 n GLY 85 N -1.28 0.00 2.36 3.46 0.00 -0.29 -4.94 105.19 104.51 1wj6 n GLY 85 Ca -0.07 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.82 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 -3.99 -3.88 1.61 4.13 0.23 -4.90 115.26 108.46 1wj6 n ASN 86 Ca 0.00 -0.10 -0.10 0.00 1.68 0.00 0.00 54.58 56.07 1wj6 n ASN 86 Cb 0.00 -3.02 -0.08 0.00 -1.54 0.00 0.00 39.78 35.13 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 -4.92 0.72 -0.05 3.52 1.03 -0.77 0.16 119.66 119.34 1wj6 s GLN 87 Ca 0.10 -0.78 -0.02 0.00 0.04 0.00 0.00 55.36 54.69 1wj6 s GLN 87 Cb -0.04 0.29 0.03 0.00 0.03 0.00 0.00 33.01 33.32 1wj6 s GLN 87 CO 0.12 -0.21 0.12 -1.17 -2.54 0.00 0.00 175.29 171.61 1wj6 s LEU 88 N -2.38 0.93 -0.64 2.60 2.96 0.17 -4.21 118.68 118.11 1wj6 s LEU 88 Ca -0.01 0.24 -0.22 0.00 -0.22 0.00 0.00 54.13 53.92 1wj6 s LEU 88 Cb 0.01 0.28 0.08 0.00 0.50 0.00 0.00 46.19 47.07 1wj6 s LEU 88 CO -0.07 -0.13 0.89 -1.10 -1.32 0.00 0.00 176.35 174.63 1wj6 s GLN 89 N 0.97 3.09 0.02 1.98 -1.52 -1.26 0.02 119.66 122.96 1wj6 s GLN 89 Ca -0.08 -0.97 -0.00 0.00 -1.95 0.00 0.00 55.36 52.36 1wj6 s GLN 89 Cb -0.10 -4.24 -0.04 0.00 -0.22 0.00 0.00 33.01 28.41 1wj6 s GLN 89 CO -0.04 -1.74 0.11 -1.64 -0.25 0.00 0.00 175.29 171.72 1wj6 s MET 90 N 3.68 3.12 -0.15 2.91 -1.94 0.40 -1.83 119.30 125.49 1wj6 s MET 90 Ca 0.19 -0.50 0.00 0.00 -1.71 0.00 0.00 55.69 53.67 1wj6 s MET 90 Cb -0.19 -2.89 0.03 0.00 2.01 0.00 0.00 34.83 33.79 1wj6 s MET 90 CO 0.09 0.63 -0.11 -0.65 -0.01 0.00 0.00 175.02 174.98 1wj6 s GLN 91 N -1.97 1.93 0.26 2.03 -0.21 0.46 0.69 119.66 122.85 1wj6 s GLN 91 Ca 0.26 -0.50 -0.29 0.00 0.02 0.00 0.00 55.36 54.84 1wj6 s GLN 91 Cb -0.12 -1.98 -0.09 0.00 1.00 0.00 0.00 33.01 31.81 1wj6 s GLN 91 CO 0.18 -0.29 1.19 0.08 -2.12 0.00 0.00 175.29 174.32 1wj6 s VAL 92 N 1.56 3.31 -0.31 1.09 1.01 -1.07 -0.12 120.40 125.87 1wj6 s VAL 92 Ca 0.04 1.24 -0.02 0.00 0.00 0.00 0.00 61.98 63.23 1wj6 s VAL 92 Cb -0.13 -3.79 0.11 0.00 0.00 0.00 0.00 36.38 32.57 1wj6 s VAL 92 CO -0.09 0.26 0.15 -1.00 0.00 0.00 0.00 175.10 174.43 1wj6 s HIS 93 N -0.79 0.59 0.56 5.22 3.76 -1.25 -4.47 115.29 118.91 1wj6 s HIS 93 Ca 0.48 -1.21 -0.18 0.00 -0.15 0.00 0.00 55.06 54.00 1wj6 s HIS 93 Cb -0.34 -0.99 -0.09 0.00 1.11 0.00 0.00 32.58 32.27 1wj6 s HIS 93 CO 0.42 -0.83 0.55 0.39 -0.85 0.00 0.00 174.74 174.43 1wj6 n GLU 94 N 4.81 0.54 0.00 1.40 -0.58 -1.26 0.18 120.64 125.74 1wj6 n GLU 94 Ca 0.00 0.21 0.00 0.00 -0.42 0.00 0.00 57.16 56.95 1wj6 n GLU 94 Cb 0.40 -1.72 0.00 0.00 -0.57 0.00 0.00 31.44 29.55 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 1.75 -0.06 1.98 0.62 0.00 0.81 -4.66 105.19 105.64 1wj6 n GLY 95 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 1wj6 n GLY 95 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1wj6 n SER 96 N 0.00 -2.43 0.00 1.61 2.88 -1.26 -5.04 113.62 109.37 1wj6 n SER 96 Ca 0.00 0.54 0.00 0.00 -1.33 0.00 0.00 58.87 58.08 1wj6 n SER 96 Cb 0.00 2.46 0.00 0.00 -0.75 0.00 0.00 64.21 65.92 1wj6 n SER 96 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wj6 n GLY 97 N -1.46 0.55 3.79 0.46 0.00 -1.26 -4.87 105.19 102.39 1wj6 n GLY 97 Ca 0.00 -1.72 -0.29 0.00 0.00 0.00 0.00 46.02 44.01 1wj6 n GLY 97 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wj6 s PRO 98 N -3.17 1.24 0.20 1.61 0.04 -1.26 -5.02 135.00 128.63 1wj6 s PRO 98 Ca 0.00 0.32 0.00 0.00 0.04 0.00 0.00 61.00 61.36 1wj6 s PRO 98 Cb 0.00 -1.85 0.00 0.00 0.04 0.00 0.00 34.50 32.69 1wj6 s PRO 98 CO 0.00 -2.14 0.00 0.45 0.04 0.00 0.00 177.00 175.35 1wj6 n SER 99 N -3.73 -0.01 -4.43 6.66 2.88 -1.26 -5.05 113.62 108.67 1wj6 n SER 99 Ca 0.07 0.33 -0.38 0.00 -1.33 0.00 0.00 58.87 57.55 1wj6 n SER 99 Cb 0.59 0.23 -0.12 0.00 -0.75 0.00 0.00 64.21 64.17 1wj6 n SER 99 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1wj6 s SER 100 N -5.10 5.50 0.00 -3.46 0.15 -1.26 -5.37 113.70 104.16 1wj6 s SER 100 Ca 0.00 -0.52 0.00 0.00 0.70 0.00 0.00 55.95 56.13 1wj6 s SER 100 Cb 0.00 -1.99 0.00 0.00 -1.71 0.00 0.00 66.02 62.32 1wj6 s SER 100 CO 0.00 -0.19 0.00 0.61 1.20 0.00 0.00 173.24 174.86