#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wj6 n SER 2 N 0.00 -7.89 -3.64 1.61 2.88 -1.26 -5.06 113.62 100.26 1wj6 n SER 2 Ca 0.00 1.27 0.01 0.00 -1.33 0.00 0.00 58.87 58.82 1wj6 n SER 2 Cb 0.00 -4.95 -0.06 0.00 -0.75 0.00 0.00 64.21 58.44 1wj6 n SER 2 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1wj6 s SER 3 N -1.64 -0.23 0.00 -3.46 0.15 -1.26 -5.15 113.70 102.12 1wj6 s SER 3 Ca 0.02 0.36 0.00 0.00 0.70 0.00 0.00 55.95 57.03 1wj6 s SER 3 Cb -0.00 1.10 0.00 0.00 -1.71 0.00 0.00 66.02 65.40 1wj6 s SER 3 CO 0.71 -0.06 0.00 0.61 1.20 0.00 0.00 173.24 175.70 1wj6 n GLY 4 N 3.34 -0.22 3.06 9.45 0.00 -1.26 -5.07 105.19 114.48 1wj6 n GLY 4 Ca -0.18 0.52 -0.34 0.00 0.00 0.00 0.00 46.02 46.02 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 -4.00 4.96 0.15 1.61 0.01 -1.26 -4.82 113.70 110.35 1wj6 s SER 5 Ca 0.00 -2.63 0.00 0.00 1.31 0.00 0.00 55.95 54.63 1wj6 s SER 5 Cb 0.00 -1.77 0.00 0.00 0.21 0.00 0.00 66.02 64.46 1wj6 s SER 5 CO 0.00 -0.37 0.00 -1.20 0.41 0.00 0.00 173.24 172.08 1wj6 n SER 6 N 3.72 0.34 -4.45 2.44 7.64 -1.26 -5.02 113.62 117.03 1wj6 n SER 6 Ca 0.04 0.24 -0.41 0.00 1.01 0.00 0.00 58.87 59.75 1wj6 n SER 6 Cb 0.38 0.03 -0.15 0.00 -1.01 0.00 0.00 64.21 63.46 1wj6 n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wj6 n GLY 7 N 2.43 -0.47 3.81 0.23 0.00 -1.26 -4.85 105.19 105.08 1wj6 n GLY 7 Ca 0.00 1.15 -0.32 0.00 0.00 0.00 0.00 46.02 46.85 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 8.81 3.20 0.30 1.61 0.04 -1.26 -5.07 135.00 142.63 1wj6 s PRO 8 Ca 1.34 1.08 0.07 0.00 0.04 0.00 0.00 61.00 63.52 1wj6 s PRO 8 Cb -1.26 -2.02 -0.02 0.00 0.04 0.00 0.00 34.50 31.24 1wj6 s PRO 8 CO 0.49 -0.90 0.34 -1.01 0.04 0.00 0.00 177.00 175.97 1wj6 s HIS 9 N -2.73 3.13 -0.24 0.56 3.76 -1.26 -5.12 115.29 113.39 1wj6 s HIS 9 Ca 0.61 -0.18 -0.12 0.00 -0.15 0.00 0.00 55.06 55.22 1wj6 s HIS 9 Cb -0.15 -1.73 0.08 0.00 1.11 0.00 0.00 32.58 31.89 1wj6 s HIS 9 CO 0.44 0.24 0.57 0.45 -0.85 0.00 0.00 174.74 175.59 1wj6 s SER 10 N -4.02 -0.77 0.32 1.40 0.15 -1.26 -5.16 113.70 104.37 1wj6 s SER 10 Ca 0.39 1.28 -0.22 0.00 0.70 0.00 0.00 55.95 58.11 1wj6 s SER 10 Cb -0.08 1.38 -0.10 0.00 -1.71 0.00 0.00 66.02 65.51 1wj6 s SER 10 CO 0.28 -0.22 0.87 -0.04 1.20 0.00 0.00 173.24 175.33 1wj6 s MET 11 N 1.93 4.36 0.00 5.44 -1.94 -1.26 -4.99 119.30 122.84 1wj6 s MET 11 Ca -0.08 1.10 0.00 0.00 -1.71 0.00 0.00 55.69 54.99 1wj6 s MET 11 Cb -0.08 -2.64 0.00 0.00 2.01 0.00 0.00 34.83 34.12 1wj6 s MET 11 CO -0.17 0.23 0.00 0.39 -0.01 0.00 0.00 175.02 175.46 1wj6 n GLU 12 N 0.24 0.00 -0.02 2.03 1.02 -1.26 -5.05 120.64 117.59 1wj6 n GLU 12 Ca 0.02 0.00 -0.15 0.00 -0.02 0.00 0.00 57.16 57.01 1wj6 n GLU 12 Cb 0.51 0.00 -0.11 0.00 -0.02 0.00 0.00 31.44 31.83 1wj6 n GLU 12 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 1wj6 h PRO 13 N 0.00 0.25 -4.52 3.49 0.13 -1.88 -3.44 132.00 126.02 1wj6 h PRO 13 Ca 0.00 -0.24 -0.47 0.00 -0.87 0.00 0.00 66.00 64.42 1wj6 h PRO 13 Cb 0.00 0.06 -0.07 0.00 0.13 0.00 0.00 31.00 31.12 1wj6 h PRO 13 CO 0.00 0.93 1.49 1.04 -0.23 0.00 0.00 178.00 181.24 1wj6 n GLN 14 N -4.45 0.00 -4.14 0.86 6.02 -1.14 -4.67 117.38 109.86 1wj6 n GLN 14 Ca -0.09 0.00 -0.33 0.00 -0.01 0.00 0.00 57.00 56.57 1wj6 n GLN 14 Cb 0.52 -1.32 -0.07 0.00 1.02 0.00 0.00 30.24 30.39 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 7.54 4.57 -0.43 5.09 1.01 -0.57 -4.80 120.40 132.81 1wj6 s VAL 15 Ca 1.18 -0.49 -0.16 0.00 0.00 0.00 0.00 61.98 62.51 1wj6 s VAL 15 Cb -1.14 -3.09 0.03 0.00 0.00 0.00 0.00 36.38 32.19 1wj6 s VAL 15 CO 0.45 0.34 0.38 -0.89 0.00 0.00 0.00 175.10 175.37 1wj6 s THR 16 N -1.19 5.19 -0.63 3.92 2.01 0.51 -0.86 115.64 124.59 1wj6 s THR 16 Ca 0.23 -0.66 -0.19 0.00 0.31 0.00 0.00 61.69 61.37 1wj6 s THR 16 Cb -0.12 -4.03 0.10 0.00 0.01 0.00 0.00 72.50 68.47 1wj6 s THR 16 CO 0.14 -0.43 0.77 -0.76 -0.69 0.00 0.00 174.62 173.65 1wj6 s LEU 17 N 1.85 5.23 -0.68 4.42 1.43 -0.61 0.10 118.68 130.42 1wj6 s LEU 17 Ca 0.07 -1.42 -0.25 0.00 -1.03 0.00 0.00 54.13 51.50 1wj6 s LEU 17 Cb -0.20 -2.33 0.05 0.00 0.03 0.00 0.00 46.19 43.74 1wj6 s LEU 17 CO 0.10 -1.16 1.13 0.20 0.23 0.00 0.00 176.35 176.85 1wj6 s ASN 18 N 3.60 6.20 -0.36 2.29 0.01 0.14 -1.30 114.94 125.52 1wj6 s ASN 18 Ca 0.15 -0.61 -0.17 0.00 -0.71 0.00 0.00 52.86 51.52 1wj6 s ASN 18 Cb -0.22 -2.50 -0.00 0.00 0.41 0.00 0.00 41.25 38.94 1wj6 s ASN 18 CO 0.06 -1.62 0.45 -0.69 -1.51 0.00 0.00 177.10 173.79 1wj6 s VAL 19 N 4.91 5.08 -0.54 1.60 1.01 0.21 0.19 120.40 132.86 1wj6 s VAL 19 Ca 0.30 0.15 -0.09 0.00 0.00 0.00 0.00 61.98 62.35 1wj6 s VAL 19 Cb -0.12 -3.92 0.14 0.00 0.00 0.00 0.00 36.38 32.48 1wj6 s VAL 19 CO 0.14 -0.19 0.41 -0.89 0.00 0.00 0.00 175.10 174.57 1wj6 s THR 20 N 2.22 4.30 -0.57 3.92 2.01 0.25 0.20 115.64 127.97 1wj6 s THR 20 Ca 0.15 -2.07 -0.22 0.00 0.31 0.00 0.00 61.69 59.86 1wj6 s THR 20 Cb -0.16 -3.80 0.06 0.00 0.01 0.00 0.00 72.50 68.61 1wj6 s THR 20 CO 0.13 -0.82 0.85 0.12 -0.69 0.00 0.00 174.62 174.20 1wj6 s PHE 21 N 0.97 2.84 0.00 4.92 5.36 0.29 -2.60 117.98 129.77 1wj6 s PHE 21 Ca 0.09 -0.34 0.00 0.00 -0.96 0.00 0.00 56.93 55.73 1wj6 s PHE 21 Cb -0.23 -3.98 0.00 0.00 -0.34 0.00 0.00 43.02 38.47 1wj6 s PHE 21 CO -0.02 -1.33 0.00 1.63 -1.46 0.00 0.00 175.22 174.03 1wj6 n LYS 22 N 7.11 0.00 0.00 10.12 5.02 -1.26 0.69 118.16 139.84 1wj6 n LYS 22 Ca -0.02 0.00 0.02 0.00 -2.02 0.00 0.00 58.31 56.29 1wj6 n LYS 22 Cb 0.46 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 5.81 0.95 -4.89 4.39 5.15 -1.26 -5.02 115.26 120.38 1wj6 n ASN 23 Ca 0.00 -0.97 -0.29 0.00 -0.60 0.00 0.00 54.58 52.72 1wj6 n ASN 23 Cb 0.00 0.35 -0.02 0.00 -0.53 0.00 0.00 39.78 39.57 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 -0.70 3.67 -0.04 1.20 8.01 0.22 -5.09 118.70 125.96 1wj6 s GLU 24 Ca 0.04 0.23 0.02 0.00 0.01 0.00 0.00 54.97 55.26 1wj6 s GLU 24 Cb 0.03 -2.48 0.02 0.00 -4.31 0.00 0.00 34.13 27.39 1wj6 s GLU 24 CO 0.09 0.01 -0.07 0.42 0.01 0.00 0.00 175.26 175.72 1wj6 s ILE 25 N -2.36 0.68 0.17 -1.63 1.01 -1.26 -0.55 121.20 117.27 1wj6 s ILE 25 Ca 0.48 -0.24 0.03 0.00 0.00 0.00 0.00 60.65 60.92 1wj6 s ILE 25 Cb -0.10 -0.66 -0.05 0.00 0.01 0.00 0.00 42.46 41.66 1wj6 s ILE 25 CO 0.34 0.25 -0.03 -1.58 0.00 0.00 0.00 174.94 173.91 1wj6 s GLN 26 N 0.68 1.13 -0.03 2.79 2.00 0.53 -4.97 119.66 121.78 1wj6 s GLN 26 Ca -0.10 -1.53 -0.02 0.00 -2.00 0.00 0.00 55.36 51.71 1wj6 s GLN 26 Cb -0.13 -0.45 0.02 0.00 0.80 0.00 0.00 33.01 33.25 1wj6 s GLN 26 CO 0.01 -0.05 0.08 0.45 -0.50 0.00 0.00 175.29 175.27 1wj6 s SER 27 N -3.19 -0.05 -0.16 6.67 0.15 -1.25 0.64 113.70 116.50 1wj6 s SER 27 Ca 0.22 0.15 -0.02 0.00 0.70 0.00 0.00 55.95 57.00 1wj6 s SER 27 Cb 0.05 0.10 0.05 0.00 -1.71 0.00 0.00 66.02 64.51 1wj6 s SER 27 CO 0.03 -0.08 0.01 -0.36 1.20 0.00 0.00 173.24 174.05 1wj6 s PHE 28 N 0.57 1.07 0.13 3.44 0.08 -0.42 -4.92 117.98 117.93 1wj6 s PHE 28 Ca -0.04 -0.75 -0.30 0.00 0.12 0.00 0.00 56.93 55.96 1wj6 s PHE 28 Cb -0.06 -1.03 -0.06 0.00 -0.57 0.00 0.00 43.02 41.30 1wj6 s PHE 28 CO -0.02 -0.55 1.03 -1.17 -0.10 0.00 0.00 175.22 174.41 1wj6 s LEU 29 N 1.84 4.48 -0.40 -0.37 2.96 -1.25 -1.57 118.68 124.37 1wj6 s LEU 29 Ca 0.01 1.92 0.03 0.00 -0.22 0.00 0.00 54.13 55.86 1wj6 s LEU 29 Cb -0.16 -3.59 0.11 0.00 0.50 0.00 0.00 46.19 43.05 1wj6 s LEU 29 CO -0.07 -0.16 0.15 -0.69 -1.32 0.00 0.00 176.35 174.25 1wj6 s VAL 30 N 0.02 1.95 -0.41 1.68 1.01 -0.04 -4.89 120.40 119.72 1wj6 s VAL 30 Ca 0.49 -2.47 0.24 0.00 0.00 0.00 0.00 61.98 60.24 1wj6 s VAL 30 Cb -0.26 -2.40 0.26 0.00 0.00 0.00 0.00 36.38 33.98 1wj6 s VAL 30 CO 0.32 -0.72 1.73 -1.28 0.00 0.00 0.00 175.10 175.15 1wj6 h SER 31 N 7.24 0.00 -1.89 3.32 0.87 -1.87 -1.47 113.55 119.75 1wj6 h SER 31 Ca -0.06 0.00 -0.54 0.00 -1.23 0.00 0.00 61.79 59.96 1wj6 h SER 31 Cb 0.97 0.00 -0.37 0.00 -0.44 0.00 0.00 62.40 62.56 1wj6 h SER 31 CO 0.55 0.00 -1.06 0.47 -0.53 0.00 0.00 176.83 176.26 1wj6 n ASP 32 N -2.31 -0.09 0.00 6.23 9.92 -1.26 -4.11 116.55 124.93 1wj6 n ASP 32 Ca 0.02 -2.71 0.11 0.00 -0.53 0.00 0.00 54.79 51.68 1wj6 n ASP 32 Cb 0.23 -0.47 0.53 0.00 -0.64 0.00 0.00 41.12 40.77 1wj6 n ASP 32 CO 0.00 0.00 0.00 -0.81 0.13 0.00 0.00 177.20 176.52 1wj6 n PRO 33 N 1.53 0.20 -0.09 -0.24 -0.04 -1.23 -1.33 135.00 133.79 1wj6 n PRO 33 Ca 0.21 0.09 -0.23 0.00 -0.04 0.00 0.00 63.50 63.53 1wj6 n PRO 33 Cb 0.53 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.37 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 -1.37 0.65 0.08 0.54 1.02 -1.26 -4.54 120.64 115.77 1wj6 n GLU 34 Ca 0.09 0.30 -0.12 0.00 -0.02 0.00 0.00 57.16 57.41 1wj6 n GLU 34 Cb 0.21 -1.61 -0.08 0.00 -0.02 0.00 0.00 31.44 29.94 1wj6 n GLU 34 CO 0.00 0.00 0.00 -0.91 1.18 0.00 0.00 177.13 177.40 1wj6 h ASN 35 N -0.44 -0.23 -2.59 1.62 -0.26 -1.95 -3.45 115.58 108.28 1wj6 h ASN 35 Ca -0.52 -0.30 -0.48 0.00 -0.56 0.00 0.00 56.30 54.44 1wj6 h ASN 35 Cb 1.74 0.06 0.23 0.00 -1.06 0.00 0.00 38.32 39.29 1wj6 h ASN 35 CO -0.15 0.26 -1.01 1.07 -1.06 0.00 0.00 177.43 176.54 1wj6 n THR 36 N -4.98 0.00 -4.37 2.81 5.66 -0.44 -5.01 114.28 107.94 1wj6 n THR 36 Ca -0.08 -0.26 -0.28 0.00 -3.05 0.00 0.00 64.05 60.38 1wj6 n THR 36 Cb 0.26 -0.57 -0.12 0.00 -1.55 0.00 0.00 70.33 68.35 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 -2.27 2.53 0.34 1.09 -4.23 -1.26 -4.92 115.64 106.91 1wj6 s THR 37 Ca 0.55 -1.78 0.06 0.00 -1.18 0.00 0.00 61.69 59.34 1wj6 s THR 37 Cb -0.14 -2.17 0.30 0.00 1.34 0.00 0.00 72.50 71.83 1wj6 s THR 37 CO 0.67 0.00 1.90 -0.25 -0.54 0.00 0.00 174.62 176.40 1wj6 h TRP 38 N 3.52 0.89 -0.72 3.99 -0.00 -1.90 0.34 115.95 122.07 1wj6 h TRP 38 Ca -0.49 0.02 0.03 0.00 -0.00 0.00 0.00 58.89 58.46 1wj6 h TRP 38 Cb 1.19 -0.29 -0.04 0.00 -0.00 0.00 0.00 29.16 30.02 1wj6 h TRP 38 CO 0.63 0.40 0.47 0.00 -0.00 0.00 0.00 178.44 179.95 1wj6 h ALA 39 N 1.57 1.58 0.00 2.65 0.00 -1.93 0.59 119.26 123.72 1wj6 h ALA 39 Ca 0.41 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 55.21 1wj6 h ALA 39 Cb 0.46 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1wj6 h ALA 39 CO -0.17 0.35 -0.33 -0.44 0.00 0.00 0.00 179.25 178.65 1wj6 h ASP 40 N 0.87 0.00 0.00 0.00 3.32 -0.75 -2.50 116.42 117.36 1wj6 h ASP 40 Ca 0.28 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.33 1wj6 h ASP 40 Cb 0.05 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.60 1wj6 h ASP 40 CO -0.08 0.33 -0.02 0.40 -1.72 0.00 0.00 179.24 178.16 1wj6 h ILE 41 N 0.00 0.00 -0.87 0.35 1.08 0.01 -2.55 117.51 115.53 1wj6 h ILE 41 Ca -0.00 -0.79 0.16 0.00 -0.39 0.00 0.00 64.86 63.83 1wj6 h ILE 41 Cb 0.66 0.00 -0.16 0.00 -3.07 0.00 0.00 36.82 34.25 1wj6 h ILE 41 CO 0.04 0.00 -0.27 1.21 -0.69 0.00 0.00 178.15 178.44 1wj6 n GLU 42 N -4.19 -0.13 0.27 2.37 2.13 0.17 0.54 120.64 121.80 1wj6 n GLU 42 Ca -0.00 1.35 -0.16 0.00 0.66 0.00 0.00 57.16 59.01 1wj6 n GLU 42 Cb 0.01 -2.01 -0.08 0.00 0.27 0.00 0.00 31.44 29.62 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 1.52 -0.64 -0.55 4.31 0.00 -1.59 -0.85 119.26 121.45 1wj6 h ALA 43 Ca 0.37 -0.16 0.05 0.00 0.00 0.00 0.00 54.91 55.17 1wj6 h ALA 43 Cb 0.59 0.25 -0.07 0.00 0.00 0.00 0.00 17.79 18.56 1wj6 h ALA 43 CO -0.88 -0.81 -0.33 -0.12 0.00 0.00 0.00 179.25 177.11 1wj6 n MET 44 N -5.33 -0.24 -0.24 0.00 0.00 0.19 0.67 117.12 112.17 1wj6 n MET 44 Ca -0.11 1.20 0.00 0.00 -0.00 0.00 0.00 57.70 58.79 1wj6 n MET 44 Cb 0.29 -1.78 0.13 0.00 0.00 0.00 0.00 33.22 31.85 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 0.88 0.08 1.12 2.07 -1.10 1.59 116.25 120.88 1wj6 h VAL 45 Ca 0.09 -0.22 0.01 0.00 0.82 0.00 0.00 66.70 67.40 1wj6 h VAL 45 Cb 0.23 0.20 -0.04 0.00 -1.52 0.00 0.00 31.29 30.16 1wj6 h VAL 45 CO -0.52 0.11 -0.43 0.11 0.02 0.00 0.00 177.57 176.87 1wj6 h LYS 46 N 0.63 -0.57 -0.36 1.57 1.57 0.17 0.16 116.57 119.74 1wj6 h LYS 46 Ca 0.33 0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 59.14 1wj6 h LYS 46 Cb 0.31 0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.74 1wj6 h LYS 46 CO -0.24 -0.38 0.16 -0.39 -0.57 0.00 0.00 179.45 178.02 1wj6 h VAL 47 N -0.59 1.18 -0.95 0.50 -1.51 0.66 1.91 116.25 117.44 1wj6 h VAL 47 Ca -0.00 -0.54 0.30 0.00 -1.23 0.00 0.00 66.70 65.22 1wj6 h VAL 47 Cb 0.60 0.86 -0.16 0.00 -2.13 0.00 0.00 31.29 30.47 1wj6 h VAL 47 CO -0.24 0.19 0.36 -1.28 -1.23 0.00 0.00 177.57 175.37 1wj6 h SER 48 N 0.44 0.15 0.22 4.19 0.87 0.29 0.55 113.55 120.26 1wj6 h SER 48 Ca 0.12 0.22 0.00 0.00 -1.23 0.00 0.00 61.79 60.90 1wj6 h SER 48 Cb 0.16 0.26 0.00 0.00 -0.44 0.00 0.00 62.40 62.37 1wj6 h SER 48 CO -0.01 -0.22 -1.52 0.49 -0.53 0.00 0.00 176.83 175.04 1wj6 n PHE 49 N -5.21 0.18 -2.01 2.24 3.72 0.53 -4.99 117.46 111.92 1wj6 n PHE 49 Ca 0.27 0.05 0.00 0.00 -0.05 0.00 0.00 57.45 57.73 1wj6 n PHE 49 Cb 0.88 -0.47 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 -3.47 -0.05 0.00 0.00 176.76 173.24 1wj6 n ASP 50 N -2.14 -1.77 -4.57 4.37 2.03 0.53 -5.07 116.55 109.93 1wj6 n ASP 50 Ca -0.01 0.00 -0.31 0.00 0.52 0.00 0.00 54.79 54.99 1wj6 n ASP 50 Cb 0.50 -0.44 -0.11 0.00 -0.72 0.00 0.00 41.12 40.35 1wj6 n ASP 50 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1wj6 s LEU 51 N -1.29 3.04 -0.10 -2.67 1.43 0.50 -4.94 118.68 114.63 1wj6 s LEU 51 Ca 0.00 -0.25 -0.13 0.00 -1.03 0.00 0.00 54.13 52.72 1wj6 s LEU 51 Cb 0.00 -1.77 -0.11 0.00 0.03 0.00 0.00 46.19 44.34 1wj6 s LEU 51 CO 0.00 0.25 0.40 -1.13 0.23 0.00 0.00 176.35 176.11 1wj6 h ASN 52 N 4.31 -0.06 -3.55 2.29 -0.73 -1.98 -3.37 115.58 112.49 1wj6 h ASN 52 Ca -0.48 -0.34 -0.53 0.00 1.87 0.00 0.00 56.30 56.81 1wj6 h ASN 52 Cb 1.16 0.02 -0.33 0.00 0.27 0.00 0.00 38.32 39.44 1wj6 h ASN 52 CO 0.52 0.59 -0.82 0.42 -0.37 0.00 0.00 177.43 177.77 1wj6 s THR 53 N -2.16 1.25 0.17 -3.57 -4.23 -1.26 -5.02 115.64 100.81 1wj6 s THR 53 Ca -0.08 -0.56 0.01 0.00 -1.18 0.00 0.00 61.69 59.87 1wj6 s THR 53 Cb -0.01 -1.11 -0.04 0.00 1.34 0.00 0.00 72.50 72.67 1wj6 s THR 53 CO 0.29 0.38 0.04 0.27 -0.54 0.00 0.00 174.62 175.05 1wj6 s ILE 54 N 0.47 0.45 -0.42 2.99 -4.36 -1.26 -1.27 121.20 117.79 1wj6 s ILE 54 Ca -0.12 -1.96 0.10 0.00 -0.26 0.00 0.00 60.65 58.41 1wj6 s ILE 54 Cb -0.14 -2.19 0.31 0.00 1.25 0.00 0.00 42.46 41.69 1wj6 s ILE 54 CO 0.04 -0.38 0.69 1.67 0.24 0.00 0.00 174.94 177.19 1wj6 n GLN 55 N -0.23 1.26 -1.04 0.37 -0.06 0.35 -4.56 117.38 113.48 1wj6 n GLN 55 Ca -0.05 -3.59 -0.35 0.00 -2.00 0.00 0.00 57.00 51.00 1wj6 n GLN 55 Cb 0.64 -1.66 0.03 0.00 -4.06 0.00 0.00 30.24 25.19 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 0.61 0.00 -3.66 1.69 5.41 -1.26 -3.60 119.36 118.55 1wj6 n ILE 56 Ca 0.25 -0.48 -0.08 0.00 1.00 0.00 0.00 62.75 63.45 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 -1.56 0.37 0.00 0.38 1.02 0.23 -3.88 119.74 116.29 1wj6 s LYS 57 Ca 0.44 1.07 0.03 0.00 0.02 0.00 0.00 55.97 57.52 1wj6 s LYS 57 Cb -0.28 0.36 -0.03 0.00 -0.52 0.00 0.00 37.83 37.35 1wj6 s LYS 57 CO 0.73 -0.23 -0.04 1.52 -0.92 0.00 0.00 175.35 176.40 1wj6 s TYR 58 N 2.51 2.95 -0.13 3.18 -0.85 -0.23 0.20 117.35 124.99 1wj6 s TYR 58 Ca -0.03 0.00 -0.28 0.00 -0.52 0.00 0.00 57.07 56.24 1wj6 s TYR 58 Cb -0.12 -1.63 -0.01 0.00 0.38 0.00 0.00 41.96 40.58 1wj6 s TYR 58 CO -0.14 0.40 0.96 -0.51 -1.52 0.00 0.00 175.55 174.75 1wj6 s LEU 59 N -1.47 4.22 0.00 -3.49 1.43 -0.83 0.99 118.68 119.54 1wj6 s LEU 59 Ca 0.18 1.43 0.00 0.00 -1.03 0.00 0.00 54.13 54.71 1wj6 s LEU 59 Cb -0.11 -3.47 0.00 0.00 0.03 0.00 0.00 46.19 42.64 1wj6 s LEU 59 CO 0.08 -0.44 0.00 -0.67 0.23 0.00 0.00 176.35 175.55 1wj6 n ASP 60 N 5.09 0.00 -0.68 2.29 -0.08 -0.94 -4.78 116.55 117.46 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 0.49 0.00 0.12 0.00 2.34 0.00 0.00 41.12 44.06 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 1.89 0.00 -0.67 1.02 -1.26 -3.06 120.64 118.56 1wj6 n GLU 61 Ca 0.00 -0.94 0.00 0.00 -0.02 0.00 0.00 57.16 56.20 1wj6 n GLU 61 Cb 0.00 -1.45 0.00 0.00 -0.02 0.00 0.00 31.44 29.97 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 0.20 -0.37 -1.74 3.49 -0.58 -1.26 -4.98 120.64 115.41 1wj6 n GLU 62 Ca 0.08 -0.51 -0.10 0.00 -0.42 0.00 0.00 57.16 56.21 1wj6 n GLU 62 Cb 0.37 -0.89 -0.02 0.00 -0.57 0.00 0.00 31.44 30.32 1wj6 n GLU 62 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 1wj6 n ASN 63 N -0.05 -3.82 -4.49 1.62 4.13 -1.17 -5.00 115.26 106.47 1wj6 n ASN 63 Ca 0.00 0.12 -0.34 0.00 1.68 0.00 0.00 54.58 56.05 1wj6 n ASN 63 Cb 0.09 -2.64 -0.12 0.00 -1.54 0.00 0.00 39.78 35.57 1wj6 n ASN 63 CO 0.00 0.00 0.00 -1.61 0.28 0.00 0.00 177.26 175.93 1wj6 s GLU 64 N -3.67 3.67 0.20 3.52 2.02 -1.26 -4.86 118.70 118.32 1wj6 s GLU 64 Ca 0.00 -0.52 -0.32 0.00 0.02 0.00 0.00 54.97 54.15 1wj6 s GLU 64 Cb 0.00 -2.92 -0.13 0.00 0.10 0.00 0.00 34.13 31.19 1wj6 s GLU 64 CO 0.00 0.23 1.66 0.39 0.02 0.00 0.00 175.26 177.57 1wj6 n GLU 65 N 3.56 2.57 -4.10 1.61 1.02 -1.26 -2.20 120.64 121.83 1wj6 n GLU 65 Ca -0.17 0.93 -0.33 0.00 -0.02 0.00 0.00 57.16 57.56 1wj6 n GLU 65 Cb 0.52 -2.74 -0.16 0.00 -0.02 0.00 0.00 31.44 29.05 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 0.98 2.27 -0.17 2.62 1.01 0.28 -4.87 120.40 122.50 1wj6 s VAL 66 Ca 0.75 -0.87 -0.22 0.00 0.00 0.00 0.00 61.98 61.64 1wj6 s VAL 66 Cb -0.56 -1.97 -0.02 0.00 0.00 0.00 0.00 36.38 33.83 1wj6 s VAL 66 CO 0.35 0.52 0.69 -0.94 0.00 0.00 0.00 175.10 175.73 1wj6 s SER 67 N 1.31 6.80 -0.08 3.32 1.04 -1.26 -1.07 113.70 123.75 1wj6 s SER 67 Ca 0.05 0.97 -0.12 0.00 0.48 0.00 0.00 55.95 57.33 1wj6 s SER 67 Cb -0.13 -2.39 -0.05 0.00 0.10 0.00 0.00 66.02 63.55 1wj6 s SER 67 CO -0.11 -0.29 0.29 -0.63 0.98 0.00 0.00 173.24 173.48 1wj6 s ILE 68 N 1.83 5.26 0.00 -1.02 1.01 -1.25 -4.95 121.20 122.08 1wj6 s ILE 68 Ca 0.32 0.55 0.00 0.00 0.00 0.00 0.00 60.65 61.53 1wj6 s ILE 68 Cb -0.16 -3.59 0.00 0.00 0.01 0.00 0.00 42.46 38.72 1wj6 s ILE 68 CO 0.12 0.54 0.00 0.59 0.00 0.00 0.00 174.94 176.18 1wj6 n ASN 69 N 2.38 2.00 -4.78 3.58 3.02 -1.26 -4.82 115.26 115.38 1wj6 n ASN 69 Ca -0.15 0.00 -0.32 0.00 -0.03 0.00 0.00 54.58 54.07 1wj6 n ASN 69 Cb 0.53 0.00 -0.07 0.00 -0.61 0.00 0.00 39.78 39.63 1wj6 n ASN 69 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 1wj6 s SER 70 N -4.20 4.19 0.06 6.41 0.01 -1.26 -4.87 113.70 114.05 1wj6 s SER 70 Ca 0.00 -1.61 -0.27 0.00 1.31 0.00 0.00 55.95 55.38 1wj6 s SER 70 Cb 0.00 0.51 -0.17 0.00 0.21 0.00 0.00 66.02 66.57 1wj6 s SER 70 CO 0.00 -0.88 1.58 -0.61 0.41 0.00 0.00 173.24 173.74 1wj6 h GLN 71 N 1.28 -0.40 -0.92 12.44 4.15 -1.97 -2.73 115.11 126.96 1wj6 h GLN 71 Ca -0.43 0.03 0.20 0.00 0.77 0.00 0.00 58.65 59.21 1wj6 h GLN 71 Cb 1.31 0.09 -0.17 0.00 0.21 0.00 0.00 27.48 28.92 1wj6 h GLN 71 CO 0.72 -0.21 -0.19 0.41 -1.93 0.00 0.00 178.83 177.64 1wj6 n GLY 72 N -1.03 -1.50 0.28 2.39 0.00 -1.26 0.19 105.19 104.27 1wj6 n GLY 72 Ca -0.10 0.97 -0.06 0.00 0.00 0.00 0.00 46.02 46.84 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 0.94 -0.13 1.61 5.08 -1.93 -2.72 114.58 117.44 1wj6 h GLU 73 Ca 0.46 -0.09 -0.03 0.00 -1.00 0.00 0.00 59.36 58.70 1wj6 h GLU 73 Cb 0.76 -0.19 -0.00 0.00 0.50 0.00 0.00 28.75 29.81 1wj6 h GLU 73 CO -0.94 0.68 -0.05 -0.92 -1.00 0.00 0.00 179.01 176.79 1wj6 h TYR 74 N 0.94 0.30 -0.38 4.33 3.20 0.24 -2.96 116.97 122.63 1wj6 h TYR 74 Ca 0.24 -0.07 0.04 0.00 3.14 0.00 0.00 58.73 62.08 1wj6 h TYR 74 Cb -0.01 -0.07 -0.06 0.00 1.54 0.00 0.00 36.73 38.14 1wj6 h TYR 74 CO -0.01 0.58 -0.33 0.93 -1.64 0.00 0.00 178.16 177.69 1wj6 h GLU 75 N -0.06 -0.13 -0.54 1.82 5.08 0.14 0.48 114.58 121.38 1wj6 h GLU 75 Ca 0.03 0.01 0.10 0.00 -1.00 0.00 0.00 59.36 58.50 1wj6 h GLU 75 Cb 0.49 0.03 -0.11 0.00 0.50 0.00 0.00 28.75 29.67 1wj6 h GLU 75 CO 0.02 -0.09 -0.31 0.93 -1.00 0.00 0.00 179.01 178.56 1wj6 h GLU 76 N -0.13 -0.17 -0.88 2.33 4.39 -1.55 0.51 114.58 119.08 1wj6 h GLU 76 Ca 0.06 0.01 0.17 0.00 0.34 0.00 0.00 59.36 59.95 1wj6 h GLU 76 Cb 0.30 0.04 -0.10 0.00 -0.10 0.00 0.00 28.75 28.88 1wj6 h GLU 76 CO -0.43 -0.11 0.44 0.00 -1.16 0.00 0.00 179.01 177.75 1wj6 h ALA 77 N 0.99 1.36 -0.45 3.43 0.00 -0.92 0.69 119.26 124.36 1wj6 h ALA 77 Ca 0.22 0.11 -0.05 0.00 0.00 0.00 0.00 54.91 55.19 1wj6 h ALA 77 Cb 0.54 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 1wj6 h ALA 77 CO -0.64 -0.16 0.06 -0.07 0.00 0.00 0.00 179.25 178.45 1wj6 h LEU 78 N 0.57 0.65 -0.65 0.00 3.38 0.45 0.62 115.31 120.34 1wj6 h LEU 78 Ca 0.50 -0.12 -0.09 0.00 0.09 0.00 0.00 57.88 58.26 1wj6 h LEU 78 Cb 0.80 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.35 1wj6 h LEU 78 CO -0.41 0.68 0.03 0.11 0.09 0.00 0.00 178.44 178.94 1wj6 h LYS 79 N 0.67 1.08 -0.31 1.13 1.57 0.34 -2.92 116.57 118.14 1wj6 h LYS 79 Ca 0.15 -0.33 -0.08 0.00 -1.87 0.00 0.00 60.65 58.52 1wj6 h LYS 79 Cb 0.32 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.52 1wj6 h LYS 79 CO 0.01 1.04 -0.12 1.98 -0.57 0.00 0.00 179.45 181.78 1wj6 h MET 80 N 0.99 0.62 -0.82 3.15 4.05 -0.02 -3.01 114.93 119.90 1wj6 h MET 80 Ca 0.18 -0.26 0.20 0.00 -0.28 0.00 0.00 59.70 59.54 1wj6 h MET 80 Cb 0.53 -0.02 -0.13 0.00 -0.80 0.00 0.00 31.60 31.18 1wj6 h MET 80 CO 0.03 0.83 0.21 0.00 0.23 0.00 0.00 176.91 178.21 1wj6 h ALA 81 N 0.77 1.12 -0.75 0.39 0.00 -0.74 0.70 119.26 120.77 1wj6 h ALA 81 Ca 0.07 0.20 0.12 0.00 0.00 0.00 0.00 54.91 55.29 1wj6 h ALA 81 Cb 0.63 0.27 -0.08 0.00 0.00 0.00 0.00 17.79 18.61 1wj6 h ALA 81 CO 0.04 -0.39 0.35 0.28 0.00 0.00 0.00 179.25 179.53 1wj6 h VAL 82 N 0.25 0.77 -0.34 0.00 2.07 -1.38 0.12 116.25 117.75 1wj6 h VAL 82 Ca 0.49 -0.19 0.03 0.00 0.82 0.00 0.00 66.70 67.84 1wj6 h VAL 82 Cb 0.91 0.16 -0.03 0.00 -1.52 0.00 0.00 31.29 30.81 1wj6 h VAL 82 CO -0.58 0.10 0.16 0.11 0.02 0.00 0.00 177.57 177.38 1wj6 h LYS 83 N 0.56 0.32 0.45 1.57 1.57 0.37 -3.09 116.57 118.33 1wj6 h LYS 83 Ca 0.39 -0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 59.13 1wj6 h LYS 83 Cb 0.49 -0.07 -0.00 0.00 0.08 0.00 0.00 32.23 32.72 1wj6 h LYS 83 CO -0.32 0.21 -0.28 1.96 -0.57 0.00 0.00 179.45 180.45 1wj6 h GLN 84 N 0.33 -0.66 0.00 3.15 4.20 0.02 -3.46 115.11 118.69 1wj6 h GLN 84 Ca 0.14 0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.90 1wj6 h GLN 84 Cb 0.07 0.15 0.00 0.00 0.30 0.00 0.00 27.48 27.99 1wj6 h GLN 84 CO -0.11 -0.44 0.00 0.41 -0.67 0.00 0.00 178.83 178.02 1wj6 n GLY 85 N -1.35 0.00 2.27 3.46 0.00 0.23 -4.92 105.19 104.88 1wj6 n GLY 85 Ca -0.08 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 -3.83 -3.83 1.61 4.13 -0.58 -4.90 115.26 107.86 1wj6 n ASN 86 Ca 0.00 -0.04 -0.10 0.00 1.68 0.00 0.00 54.58 56.12 1wj6 n ASN 86 Cb 0.00 -2.99 -0.08 0.00 -1.54 0.00 0.00 39.78 35.17 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 -4.70 0.75 -0.02 3.52 1.03 -1.17 0.19 119.66 119.25 1wj6 s GLN 87 Ca 0.03 -0.67 -0.02 0.00 0.04 0.00 0.00 55.36 54.74 1wj6 s GLN 87 Cb -0.01 0.31 0.01 0.00 0.03 0.00 0.00 33.01 33.35 1wj6 s GLN 87 CO 0.04 -0.23 0.06 -1.17 -2.54 0.00 0.00 175.29 171.45 1wj6 s LEU 88 N -2.24 1.58 -0.67 2.60 2.96 0.29 -4.26 118.68 118.94 1wj6 s LEU 88 Ca -0.03 0.11 -0.20 0.00 -0.22 0.00 0.00 54.13 53.79 1wj6 s LEU 88 Cb 0.00 0.15 0.10 0.00 0.50 0.00 0.00 46.19 46.94 1wj6 s LEU 88 CO -0.05 -0.05 0.85 -1.10 -1.32 0.00 0.00 176.35 174.68 1wj6 s GLN 89 N 0.32 3.16 0.11 1.98 -1.52 -1.26 0.25 119.66 122.69 1wj6 s GLN 89 Ca -0.02 -1.25 0.04 0.00 -1.95 0.00 0.00 55.36 52.18 1wj6 s GLN 89 Cb -0.04 -4.34 -0.04 0.00 -0.22 0.00 0.00 33.01 28.37 1wj6 s GLN 89 CO -0.01 -1.66 0.06 -1.64 -0.25 0.00 0.00 175.29 171.79 1wj6 s MET 90 N 3.07 2.76 -0.09 2.91 -1.94 0.51 -1.96 119.30 124.56 1wj6 s MET 90 Ca 0.18 -0.80 -0.00 0.00 -1.71 0.00 0.00 55.69 53.36 1wj6 s MET 90 Cb -0.19 -2.63 0.02 0.00 2.01 0.00 0.00 34.83 34.04 1wj6 s MET 90 CO 0.05 0.54 -0.07 -0.65 -0.01 0.00 0.00 175.02 174.88 1wj6 s GLN 91 N -2.54 1.33 0.32 2.03 -0.21 0.55 0.88 119.66 122.02 1wj6 s GLN 91 Ca 0.28 -0.20 -0.28 0.00 0.02 0.00 0.00 55.36 55.18 1wj6 s GLN 91 Cb -0.11 -1.39 -0.09 0.00 1.00 0.00 0.00 33.01 32.41 1wj6 s GLN 91 CO 0.21 -0.21 1.16 0.08 -2.12 0.00 0.00 175.29 174.41 1wj6 s VAL 92 N 1.53 3.23 -0.33 1.09 1.01 -1.07 0.74 120.40 126.59 1wj6 s VAL 92 Ca 0.01 1.18 -0.01 0.00 0.00 0.00 0.00 61.98 63.16 1wj6 s VAL 92 Cb -0.13 -3.73 0.13 0.00 0.00 0.00 0.00 36.38 32.65 1wj6 s VAL 92 CO -0.05 0.24 0.20 -1.00 0.00 0.00 0.00 175.10 174.49 1wj6 s HIS 93 N -1.23 0.50 0.64 5.22 3.76 -1.24 -4.28 115.29 118.67 1wj6 s HIS 93 Ca 0.49 -1.33 -0.17 0.00 -0.15 0.00 0.00 55.06 53.89 1wj6 s HIS 93 Cb -0.33 -0.85 -0.12 0.00 1.11 0.00 0.00 32.58 32.38 1wj6 s HIS 93 CO 0.43 -0.84 -0.08 -1.91 -0.85 0.00 0.00 174.74 171.49 1wj6 n GLU 94 N 4.40 0.10 0.00 1.40 0.00 -1.26 0.13 120.64 125.41 1wj6 n GLU 94 Ca 0.07 0.04 0.00 0.00 0.00 0.00 0.00 57.16 57.27 1wj6 n GLU 94 Cb 0.39 -1.21 0.00 0.00 0.00 0.00 0.00 31.44 30.62 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 2.48 -2.25 3.62 8.31 0.00 -0.40 -4.58 105.19 112.37 1wj6 n GLY 95 Ca 0.07 -1.08 -0.40 0.00 0.00 0.00 0.00 46.02 44.61 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 -0.90 6.43 0.00 1.61 0.15 -1.26 -3.73 113.70 116.00 1wj6 s SER 96 Ca 0.00 0.51 0.00 0.00 0.70 0.00 0.00 55.95 57.16 1wj6 s SER 96 Cb 0.00 -2.27 0.00 0.00 -1.71 0.00 0.00 66.02 62.04 1wj6 s SER 96 CO 0.00 -0.25 0.00 0.61 1.20 0.00 0.00 173.24 174.80 1wj6 n GLY 97 N 4.34 -1.15 2.79 9.45 0.00 -1.26 -4.67 105.19 114.68 1wj6 n GLY 97 Ca -0.05 -1.41 -0.39 0.00 0.00 0.00 0.00 46.02 44.18 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 -0.22 2.33 -0.03 1.61 -0.04 -1.26 -4.46 135.00 132.93 1wj6 n PRO 98 Ca 0.00 -2.07 -0.02 0.00 -0.04 0.00 0.00 63.50 61.37 1wj6 n PRO 98 Cb 0.00 -2.94 -0.01 0.00 -0.04 0.00 0.00 33.50 30.51 1wj6 n PRO 98 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1wj6 n SER 99 N 5.94 0.68 0.04 3.54 2.88 -1.26 -4.75 113.62 120.68 1wj6 n SER 99 Ca 0.53 0.29 -0.08 0.00 -1.33 0.00 0.00 58.87 58.28 1wj6 n SER 99 Cb 0.33 -0.62 -0.06 0.00 -0.75 0.00 0.00 64.21 63.11 1wj6 n SER 99 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 1wj6 h SER 100 N -0.37 -0.17 -0.01 -3.46 0.02 -1.95 -3.55 113.55 104.07 1wj6 h SER 100 Ca 0.00 -0.28 0.00 0.00 -0.84 0.00 0.00 61.79 60.67 1wj6 h SER 100 Cb 0.26 0.04 0.00 0.00 0.14 0.00 0.00 62.40 62.84 1wj6 h SER 100 CO 0.00 0.41 0.00 0.61 -1.14 0.00 0.00 176.83 176.71