#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wg5 h SER 2 N 0.00 -0.49 -1.16 1.61 0.87 -2.09 -3.45 113.55 108.85 1wg5 h SER 2 Ca 0.00 -0.10 -0.66 0.00 -1.23 0.00 0.00 61.79 59.80 1wg5 h SER 2 Cb 0.00 0.13 0.12 0.00 -0.44 0.00 0.00 62.40 62.21 1wg5 h SER 2 CO 0.00 -0.10 -0.63 -1.20 -0.53 0.00 0.00 176.83 174.37 1wg5 n SER 3 N -5.20 -1.62 0.00 6.23 7.64 -1.26 -4.96 113.62 114.44 1wg5 n SER 3 Ca -0.10 1.05 0.00 0.00 1.01 0.00 0.00 58.87 60.84 1wg5 n SER 3 Cb 0.29 -0.93 0.00 0.00 -1.01 0.00 0.00 64.21 62.56 1wg5 n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wg5 n GLY 4 N 2.07 1.39 0.32 0.23 0.00 -1.26 -5.00 105.19 102.94 1wg5 n GLY 4 Ca 0.16 -0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.03 1wg5 n GLY 4 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1wg5 h SER 5 N 0.00 -0.65 0.00 1.61 0.87 -2.02 -3.47 113.55 109.89 1wg5 h SER 5 Ca 0.00 -0.04 0.00 0.00 -1.23 0.00 0.00 61.79 60.52 1wg5 h SER 5 Cb 0.00 0.17 0.00 0.00 -0.44 0.00 0.00 62.40 62.13 1wg5 h SER 5 CO 0.00 -0.32 0.00 -0.24 -0.53 0.00 0.00 176.83 175.74 1wg5 n SER 6 N -5.34 0.00 0.00 6.23 2.88 -1.26 -5.12 113.62 111.01 1wg5 n SER 6 Ca -0.12 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.42 1wg5 n SER 6 Cb 0.34 0.26 0.00 0.00 -0.75 0.00 0.00 64.21 64.06 1wg5 n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wg5 n GLY 7 N -1.35 1.67 0.39 0.46 0.00 -1.26 -4.23 105.19 100.87 1wg5 n GLY 7 Ca 0.00 -0.43 -0.05 0.00 0.00 0.00 0.00 46.02 45.54 1wg5 n GLY 7 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1wg5 h ASN 8 N 0.00 -1.63 -4.32 1.61 4.21 -2.04 -3.47 115.58 109.94 1wg5 h ASN 8 Ca 0.00 0.31 0.00 0.00 1.21 0.00 0.00 56.30 57.82 1wg5 h ASN 8 Cb 0.00 0.80 0.00 0.00 -1.12 0.00 0.00 38.32 38.00 1wg5 h ASN 8 CO 0.00 -0.28 -0.31 -0.24 -1.29 0.00 0.00 177.43 175.31 1wg5 n SER 9 N -5.41 -5.48 -4.77 5.81 2.88 -1.26 -5.00 113.62 100.40 1wg5 n SER 9 Ca 0.07 0.35 -0.34 0.00 -1.33 0.00 0.00 58.87 57.62 1wg5 n SER 9 Cb 0.36 -3.56 0.03 0.00 -0.75 0.00 0.00 64.21 60.28 1wg5 n SER 9 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 1wg5 s PRO 10 N -1.88 3.06 0.56 -1.46 0.04 -1.26 -5.06 135.00 129.00 1wg5 s PRO 10 Ca 0.14 1.49 0.09 0.00 0.04 0.00 0.00 61.00 62.75 1wg5 s PRO 10 Cb -0.04 -1.98 0.07 0.00 0.04 0.00 0.00 34.50 32.60 1wg5 s PRO 10 CO 0.45 -1.06 0.69 -0.51 0.04 0.00 0.00 177.00 176.61 1wg5 s ASP 11 N -2.21 5.02 -1.32 6.66 1.01 -1.26 -4.99 116.67 119.59 1wg5 s ASP 11 Ca 0.70 -0.91 -0.13 0.00 0.71 0.00 0.00 52.55 52.91 1wg5 s ASP 11 Cb -0.22 0.27 -0.04 0.00 1.01 0.00 0.00 42.92 43.94 1wg5 s ASP 11 CO 0.35 -1.25 2.36 0.35 0.21 0.00 0.00 175.17 177.18 1wg5 n THR 12 N -2.11 3.27 0.20 -1.27 -2.24 -1.26 -3.70 114.28 107.17 1wg5 n THR 12 Ca 0.11 -2.46 0.00 0.00 -2.27 0.00 0.00 64.05 59.44 1wg5 n THR 12 Cb 0.62 -2.50 0.00 0.00 -2.10 0.00 0.00 70.33 66.35 1wg5 n THR 12 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1wg5 n ALA 13 N 5.45 0.19 -3.25 6.98 0.00 -1.26 -5.10 120.51 123.53 1wg5 n ALA 13 Ca 0.58 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.80 1wg5 n ALA 13 Cb 0.32 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.79 1wg5 n ALA 13 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1wg5 n ASN 14 N -3.31 -6.58 -0.01 0.00 4.13 -1.24 -4.95 115.26 103.29 1wg5 n ASN 14 Ca 0.00 0.02 -0.01 0.00 1.68 0.00 0.00 54.58 56.27 1wg5 n ASN 14 Cb 0.00 -3.42 -0.02 0.00 -1.54 0.00 0.00 39.78 34.80 1wg5 n ASN 14 CO 0.00 0.00 0.00 0.47 0.28 0.00 0.00 177.26 178.01 1wg5 n ASP 15 N -0.65 4.42 0.00 6.41 8.00 -1.26 -4.75 116.55 128.71 1wg5 n ASP 15 Ca -0.03 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.47 1wg5 n ASP 15 Cb 0.58 0.59 0.00 0.00 -0.02 0.00 0.00 41.12 42.27 1wg5 n ASP 15 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1wg5 n GLY 16 N 2.83 1.17 3.77 0.44 0.00 -1.26 -3.87 105.19 108.27 1wg5 n GLY 16 Ca -0.04 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.61 1wg5 n GLY 16 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1wg5 s PHE 17 N -2.00 3.05 0.00 1.61 0.08 -1.25 -2.02 117.98 117.46 1wg5 s PHE 17 Ca 0.00 1.57 -0.01 0.00 0.12 0.00 0.00 56.93 58.61 1wg5 s PHE 17 Cb 0.00 -3.32 -0.01 0.00 -0.57 0.00 0.00 43.02 39.13 1wg5 s PHE 17 CO 0.00 -1.20 0.02 0.14 -0.10 0.00 0.00 175.22 174.08 1wg5 s VAL 18 N -1.53 0.05 -0.04 -0.44 -7.23 0.74 -0.44 120.40 111.52 1wg5 s VAL 18 Ca 0.60 -0.40 0.01 0.00 -1.81 0.00 0.00 61.98 60.38 1wg5 s VAL 18 Cb -0.27 -0.17 -0.03 0.00 0.56 0.00 0.00 36.38 36.46 1wg5 s VAL 18 CO 0.34 -0.22 -0.02 -0.60 -0.31 0.00 0.00 175.10 174.29 1wg5 s ARG 19 N -0.66 2.81 0.03 4.82 3.52 -0.08 -1.11 118.95 128.29 1wg5 s ARG 19 Ca -0.07 -0.55 0.08 0.00 -0.13 0.00 0.00 55.73 55.06 1wg5 s ARG 19 Cb -0.05 -2.67 -0.03 0.00 -1.56 0.00 0.00 34.95 30.64 1wg5 s ARG 19 CO -0.00 0.65 -0.24 -0.51 -0.81 0.00 0.00 175.30 174.39 1wg5 s LEU 20 N -1.23 2.28 -0.04 -0.88 1.43 0.04 -0.03 118.68 120.24 1wg5 s LEU 20 Ca 0.16 -0.51 -0.01 0.00 -1.03 0.00 0.00 54.13 52.75 1wg5 s LEU 20 Cb -0.11 -1.36 0.03 0.00 0.03 0.00 0.00 46.19 44.77 1wg5 s LEU 20 CO 0.06 0.27 0.01 -0.13 0.23 0.00 0.00 176.35 176.80 1wg5 s ARG 21 N -1.16 0.30 0.00 1.70 0.52 0.13 -2.83 118.95 117.61 1wg5 s ARG 21 Ca 0.12 0.14 0.00 0.00 -0.52 0.00 0.00 55.73 55.47 1wg5 s ARG 21 Cb -0.10 -0.61 0.00 0.00 0.52 0.00 0.00 34.95 34.76 1wg5 s ARG 21 CO 0.02 -0.21 0.00 0.41 0.02 0.00 0.00 175.30 175.54 1wg5 n GLY 22 N 4.62 1.02 3.78 -3.53 0.00 -0.28 0.09 105.19 110.88 1wg5 n GLY 22 Ca -0.17 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.48 1wg5 n GLY 22 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1wg5 s LEU 23 N 0.00 4.32 0.73 0.99 1.43 -1.09 -4.34 118.68 120.73 1wg5 s LEU 23 Ca 0.00 1.92 -0.12 0.00 -1.03 0.00 0.00 54.13 54.91 1wg5 s LEU 23 Cb 0.00 -4.01 0.04 0.00 0.03 0.00 0.00 46.19 42.25 1wg5 s LEU 23 CO 0.00 -0.17 1.10 -2.16 0.23 0.00 0.00 176.35 175.35 1wg5 s PRO 24 N -2.08 2.44 -0.41 1.29 0.04 -1.26 -4.60 135.00 130.42 1wg5 s PRO 24 Ca 0.51 1.24 -0.27 0.00 0.04 0.00 0.00 61.00 62.52 1wg5 s PRO 24 Cb -0.21 -1.91 -0.03 0.00 0.04 0.00 0.00 34.50 32.38 1wg5 s PRO 24 CO 0.26 -1.51 2.00 0.12 0.04 0.00 0.00 177.00 177.91 1wg5 s PHE 25 N -2.72 1.53 0.00 0.56 5.36 -1.26 -1.62 117.98 119.83 1wg5 s PHE 25 Ca 0.63 0.82 0.00 0.00 -0.96 0.00 0.00 56.93 57.42 1wg5 s PHE 25 Cb -0.18 -3.99 0.00 0.00 -0.34 0.00 0.00 43.02 38.51 1wg5 s PHE 25 CO 0.51 -2.91 0.00 0.41 -1.46 0.00 0.00 175.22 171.77 1wg5 n GLY 26 N 5.65 1.12 3.72 13.12 0.00 -1.26 -5.08 105.19 122.46 1wg5 n GLY 26 Ca 0.26 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.86 1wg5 n GLY 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wg5 s SER 28 N 1.01 0.05 0.32 0.00 0.01 -1.26 -5.03 113.70 108.80 1wg5 s SER 28 Ca 0.70 -1.18 0.09 0.00 1.31 0.00 0.00 55.95 56.87 1wg5 s SER 28 Cb -0.46 0.47 0.88 0.00 0.21 0.00 0.00 66.02 67.11 1wg5 s SER 28 CO 0.35 -0.97 1.71 0.11 0.41 0.00 0.00 173.24 174.85 1wg5 h LYS 29 N 2.47 0.50 -0.92 12.44 1.57 -1.98 0.30 116.57 130.94 1wg5 h LYS 29 Ca -0.32 -0.03 0.15 0.00 -1.87 0.00 0.00 60.65 58.59 1wg5 h LYS 29 Cb 1.25 -0.11 -0.10 0.00 0.08 0.00 0.00 32.23 33.35 1wg5 h LYS 29 CO 0.45 0.33 0.52 0.93 -0.57 0.00 0.00 179.45 181.11 1wg5 h GLU 30 N 0.51 0.70 0.05 3.15 5.08 -1.98 0.29 114.58 122.37 1wg5 h GLU 30 Ca 0.64 -0.04 -0.24 0.00 -1.00 0.00 0.00 59.36 58.71 1wg5 h GLU 30 Cb 1.24 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 30.32 1wg5 h GLU 30 CO -0.50 0.46 -1.18 0.93 -1.00 0.00 0.00 179.01 177.72 1wg5 h GLU 31 N 0.72 0.10 0.44 2.33 5.08 -0.89 -3.35 114.58 119.01 1wg5 h GLU 31 Ca 0.50 -0.16 -0.02 0.00 -1.00 0.00 0.00 59.36 58.68 1wg5 h GLU 31 Cb 0.70 0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.01 1wg5 h GLU 31 CO -0.35 1.02 -0.21 0.82 -1.00 0.00 0.00 179.01 179.29 1wg5 h ILE 32 N 0.03 0.00 -0.70 3.13 2.04 0.46 -1.46 117.51 121.01 1wg5 h ILE 32 Ca -0.09 -0.25 0.19 0.00 1.00 0.00 0.00 64.86 65.71 1wg5 h ILE 32 Cb 1.87 0.00 -0.13 0.00 -0.74 0.00 0.00 36.82 37.82 1wg5 h ILE 32 CO 0.15 0.00 -0.01 0.52 0.00 0.00 0.00 178.15 178.81 1wg5 n VAL 33 N -4.28 -0.29 -0.04 1.67 0.31 0.86 0.22 118.33 116.77 1wg5 n VAL 33 Ca -0.07 1.54 -0.16 0.00 -0.01 0.00 0.00 64.34 65.64 1wg5 n VAL 33 Cb 0.23 -2.24 -0.07 0.00 -0.91 0.00 0.00 33.84 30.86 1wg5 n VAL 33 CO 0.00 0.00 0.00 1.56 -1.32 0.00 0.00 176.83 177.07 1wg5 h GLN 34 N 0.00 0.73 -0.47 5.55 4.20 -1.68 -3.07 115.11 120.36 1wg5 h GLN 34 Ca 0.41 -0.54 0.14 0.00 0.06 0.00 0.00 58.65 58.72 1wg5 h GLN 34 Cb 0.83 0.09 -0.02 0.00 0.30 0.00 0.00 27.48 28.69 1wg5 h GLN 34 CO -0.66 1.16 0.44 0.35 -0.67 0.00 0.00 178.83 179.44 1wg5 h PHE 35 N 0.44 0.00 -0.90 2.96 3.57 0.38 0.14 116.94 123.53 1wg5 h PHE 35 Ca -0.02 0.00 -0.60 0.00 3.53 0.00 0.00 57.97 60.88 1wg5 h PHE 35 Cb 1.22 0.00 -0.31 0.00 2.79 0.00 0.00 35.95 39.64 1wg5 h PHE 35 CO 0.09 0.00 0.39 1.19 -2.23 0.00 0.00 178.31 177.75 1wg5 n PHE 36 N -3.91 2.96 -1.55 0.41 3.72 -0.49 -5.03 117.46 113.56 1wg5 n PHE 36 Ca 0.09 -2.64 -0.42 0.00 -0.05 0.00 0.00 57.45 54.43 1wg5 n PHE 36 Cb 0.64 -1.08 0.01 0.00 -0.94 0.00 0.00 39.48 38.11 1wg5 n PHE 36 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 1wg5 n SER 37 N -0.91 0.48 0.00 4.37 3.41 0.48 -1.37 113.62 120.08 1wg5 n SER 37 Ca 0.56 1.00 0.00 0.00 -0.26 0.00 0.00 58.87 60.17 1wg5 n SER 37 Cb 0.85 -1.26 0.00 0.00 -0.26 0.00 0.00 64.21 63.54 1wg5 n SER 37 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wg5 n GLY 38 N 1.41 2.71 3.89 5.00 0.00 -1.26 -5.00 105.19 111.94 1wg5 n GLY 38 Ca 0.10 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.83 1wg5 n GLY 38 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1wg5 s LEU 39 N 0.00 4.02 -0.21 0.99 1.43 -0.47 -5.08 118.68 119.36 1wg5 s LEU 39 Ca 0.00 0.89 -0.05 0.00 -1.03 0.00 0.00 54.13 53.95 1wg5 s LEU 39 Cb 0.00 -3.72 -0.02 0.00 0.03 0.00 0.00 46.19 42.48 1wg5 s LEU 39 CO 0.00 -0.23 -0.01 -0.70 0.23 0.00 0.00 176.35 175.65 1wg5 s GLU 40 N -3.45 3.57 0.15 1.70 2.12 -1.26 -5.01 118.70 116.51 1wg5 s GLU 40 Ca 0.47 -0.54 0.10 0.00 0.36 0.00 0.00 54.97 55.36 1wg5 s GLU 40 Cb -0.11 -3.07 -0.04 0.00 0.26 0.00 0.00 34.13 31.17 1wg5 s GLU 40 CO 0.28 -0.04 -0.22 0.42 -0.54 0.00 0.00 175.26 175.17 1wg5 s ILE 41 N 1.12 2.57 0.46 -3.70 1.01 -1.26 -2.65 121.20 118.75 1wg5 s ILE 41 Ca 0.02 -1.74 -0.21 0.00 0.00 0.00 0.00 60.65 58.72 1wg5 s ILE 41 Cb -0.14 -2.19 -0.08 0.00 0.01 0.00 0.00 42.46 40.05 1wg5 s ILE 41 CO 0.01 0.02 1.06 0.68 0.00 0.00 0.00 174.94 176.71 1wg5 s VAL 42 N -1.31 3.68 -0.04 2.92 -7.23 -1.17 -4.83 120.40 112.42 1wg5 s VAL 42 Ca 0.18 1.12 -0.30 0.00 -1.81 0.00 0.00 61.98 61.17 1wg5 s VAL 42 Cb -0.10 -3.50 -0.05 0.00 0.56 0.00 0.00 36.38 33.30 1wg5 s VAL 42 CO 0.09 -0.15 1.48 -2.16 -0.31 0.00 0.00 175.10 174.05 1wg5 s PRO 43 N -3.00 4.24 -0.62 4.82 0.04 -1.26 -2.54 135.00 136.69 1wg5 s PRO 43 Ca 0.65 2.02 0.00 0.00 0.04 0.00 0.00 61.00 63.71 1wg5 s PRO 43 Cb -0.19 -3.73 0.00 0.00 0.04 0.00 0.00 34.50 30.62 1wg5 s PRO 43 CO 0.23 -0.69 0.00 -1.71 0.04 0.00 0.00 177.00 174.88 1wg5 n ASN 44 N 6.10 -3.04 -2.37 6.66 5.15 -1.26 -4.94 115.26 121.56 1wg5 n ASN 44 Ca 0.15 0.06 -0.33 0.00 -0.60 0.00 0.00 54.58 53.85 1wg5 n ASN 44 Cb 0.43 -1.89 0.06 0.00 -0.53 0.00 0.00 39.78 37.85 1wg5 n ASN 44 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1wg5 n GLY 45 N -1.46 5.93 2.92 8.20 0.00 -1.05 -4.94 105.19 114.78 1wg5 n GLY 45 Ca -0.07 -2.43 -0.16 0.00 0.00 0.00 0.00 46.02 43.36 1wg5 n GLY 45 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1wg5 s MET 46 N -3.81 0.39 -0.11 1.61 -1.94 -1.26 -0.23 119.30 113.95 1wg5 s MET 46 Ca 0.60 -0.11 0.03 0.00 -1.71 0.00 0.00 55.69 54.49 1wg5 s MET 46 Cb 0.48 -0.42 0.01 0.00 2.01 0.00 0.00 34.83 36.91 1wg5 s MET 46 CO -0.08 0.04 -0.20 0.99 -0.01 0.00 0.00 175.02 175.77 1wg5 s THR 47 N 0.18 1.80 -0.40 2.05 2.01 0.91 -4.97 115.64 117.23 1wg5 s THR 47 Ca -0.02 -0.84 0.02 0.00 0.31 0.00 0.00 61.69 61.16 1wg5 s THR 47 Cb -0.05 -1.60 0.12 0.00 0.01 0.00 0.00 72.50 70.98 1wg5 s THR 47 CO -0.00 0.50 0.18 -0.76 -0.69 0.00 0.00 174.62 173.85 1wg5 s LEU 48 N 0.73 3.01 1.13 4.42 1.43 -1.26 -0.64 118.68 127.50 1wg5 s LEU 48 Ca -0.11 -2.34 -0.17 0.00 -1.03 0.00 0.00 54.13 50.48 1wg5 s LEU 48 Cb -0.16 -1.13 0.25 0.00 0.03 0.00 0.00 46.19 45.18 1wg5 s LEU 48 CO 0.02 -0.32 1.10 -2.16 0.23 0.00 0.00 176.35 175.22 1wg5 s PRO 49 N 0.69 -0.64 0.29 1.29 0.04 -1.26 -5.00 135.00 130.42 1wg5 s PRO 49 Ca 0.15 0.15 -0.09 0.00 0.04 0.00 0.00 61.00 61.25 1wg5 s PRO 49 Cb -0.22 -1.64 0.00 0.00 0.04 0.00 0.00 34.50 32.68 1wg5 s PRO 49 CO -0.07 -3.37 0.48 0.14 0.04 0.00 0.00 177.00 174.22 1wg5 s VAL 50 N -2.99 0.00 0.00 -0.36 -7.23 -1.26 -3.41 120.40 105.15 1wg5 s VAL 50 Ca 0.69 -1.48 0.00 0.00 -1.81 0.00 0.00 61.98 59.38 1wg5 s VAL 50 Cb -0.13 -2.44 0.00 0.00 0.56 0.00 0.00 36.38 34.37 1wg5 s VAL 50 CO 0.57 0.00 0.00 -0.67 -0.31 0.00 0.00 175.10 174.69 1wg5 n ASP 51 N -0.83 -0.02 0.14 4.85 2.03 -0.19 -4.81 116.55 117.72 1wg5 n ASP 51 Ca -0.01 -0.06 0.00 0.00 0.52 0.00 0.00 54.79 55.24 1wg5 n ASP 51 Cb 0.62 0.00 0.16 0.00 -0.72 0.00 0.00 41.12 41.18 1wg5 n ASP 51 CO 0.00 0.00 0.00 0.15 -1.92 0.00 0.00 177.20 175.43 1wg5 h PHE 52 N -0.18 0.00 0.00 -0.67 3.57 -2.02 -3.07 116.94 114.57 1wg5 h PHE 52 Ca 0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 1wg5 h PHE 52 Cb 0.00 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.74 1wg5 h PHE 52 CO 0.00 0.59 -0.89 1.04 -2.23 0.00 0.00 178.31 176.83 1wg5 n GLN 53 N -3.57 0.29 0.00 1.11 1.13 -1.26 -4.95 117.38 110.13 1wg5 n GLN 53 Ca -0.00 0.03 0.00 0.00 -1.94 0.00 0.00 57.00 55.09 1wg5 n GLN 53 Cb 0.65 -1.63 0.00 0.00 0.11 0.00 0.00 30.24 29.37 1wg5 n GLN 53 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1wg5 n GLY 54 N 1.35 1.53 3.65 1.08 0.00 -1.16 -5.09 105.19 106.55 1wg5 n GLY 54 Ca 0.02 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.66 1wg5 n GLY 54 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1wg5 s ARG 55 N -0.34 4.12 0.09 1.61 0.52 -1.26 -4.69 118.95 119.00 1wg5 s ARG 55 Ca 0.00 0.17 -0.28 0.00 -0.52 0.00 0.00 55.73 55.11 1wg5 s ARG 55 Cb 0.00 -3.58 -0.15 0.00 0.52 0.00 0.00 34.95 31.73 1wg5 s ARG 55 CO 0.00 -0.14 0.63 -1.13 0.02 0.00 0.00 175.30 174.68 1wg5 n SER 56 N 4.85 -0.57 -2.00 0.23 3.41 -1.26 -1.02 113.62 117.26 1wg5 n SER 56 Ca -0.08 0.94 -0.19 0.00 -0.26 0.00 0.00 58.87 59.28 1wg5 n SER 56 Cb 0.51 -0.77 0.15 0.00 -0.26 0.00 0.00 64.21 63.83 1wg5 n SER 56 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1wg5 n THR 57 N 0.56 2.80 -1.10 6.66 -2.24 -1.22 -4.73 114.28 115.00 1wg5 n THR 57 Ca 0.16 -1.56 -0.08 0.00 -2.27 0.00 0.00 64.05 60.30 1wg5 n THR 57 Cb 0.14 -0.57 -0.03 0.00 -2.10 0.00 0.00 70.33 67.77 1wg5 n THR 57 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1wg5 n GLY 58 N -0.84 0.72 3.22 3.38 0.00 -1.26 -4.89 105.19 105.52 1wg5 n GLY 58 Ca 0.49 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.29 1wg5 n GLY 58 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1wg5 s GLU 59 N -2.41 1.08 0.12 1.61 2.02 -1.26 -1.13 118.70 118.74 1wg5 s GLU 59 Ca 0.00 -0.96 -0.22 0.00 0.02 0.00 0.00 54.97 53.81 1wg5 s GLU 59 Cb 0.00 -1.19 0.06 0.00 0.10 0.00 0.00 34.13 33.10 1wg5 s GLU 59 CO 0.00 0.29 0.55 0.00 0.02 0.00 0.00 175.26 176.12 1wg5 s ALA 60 N -1.01 -1.42 -0.08 5.21 0.00 -1.13 -4.09 121.76 119.24 1wg5 s ALA 60 Ca 0.04 0.44 0.01 0.00 0.00 0.00 0.00 51.96 52.45 1wg5 s ALA 60 Cb -0.09 0.71 0.02 0.00 0.00 0.00 0.00 23.12 23.76 1wg5 s ALA 60 CO 0.02 -0.68 -0.08 -0.06 0.00 0.00 0.00 175.76 174.97 1wg5 s PHE 61 N -3.40 1.24 -0.01 0.00 0.08 0.19 -0.78 117.98 115.30 1wg5 s PHE 61 Ca -0.00 -0.50 0.06 0.00 0.12 0.00 0.00 56.93 56.60 1wg5 s PHE 61 Cb -0.00 -1.02 -0.03 0.00 -0.57 0.00 0.00 43.02 41.40 1wg5 s PHE 61 CO -0.10 -0.35 -0.18 0.08 -0.10 0.00 0.00 175.22 174.57 1wg5 s VAL 62 N 1.24 2.79 -0.32 -0.44 1.01 -0.26 -0.06 120.40 124.35 1wg5 s VAL 62 Ca -0.05 -0.98 -0.02 0.00 0.00 0.00 0.00 61.98 60.94 1wg5 s VAL 62 Cb -0.14 -2.11 0.06 0.00 0.00 0.00 0.00 36.38 34.20 1wg5 s VAL 62 CO -0.02 0.48 0.04 -1.58 0.00 0.00 0.00 175.10 174.02 1wg5 s GLN 63 N -1.02 2.29 0.61 2.72 0.74 0.68 -0.18 119.66 125.49 1wg5 s GLN 63 Ca 0.13 -1.41 -0.14 0.00 0.05 0.00 0.00 55.36 53.98 1wg5 s GLN 63 Cb -0.10 -3.26 -0.03 0.00 1.10 0.00 0.00 33.01 30.71 1wg5 s GLN 63 CO 0.02 -0.73 1.04 -0.06 -0.55 0.00 0.00 175.29 175.02 1wg5 s PHE 64 N 1.21 3.19 0.57 1.67 0.08 -0.85 -3.03 117.98 120.81 1wg5 s PHE 64 Ca -0.02 1.45 0.30 0.00 0.12 0.00 0.00 56.93 58.79 1wg5 s PHE 64 Cb -0.20 -2.90 1.46 0.00 -0.57 0.00 0.00 43.02 40.81 1wg5 s PHE 64 CO -0.02 -0.94 1.86 0.00 -0.10 0.00 0.00 175.22 176.02 1wg5 h ALA 65 N 0.17 2.56 -1.96 5.36 0.00 -1.77 -3.41 119.26 120.20 1wg5 h ALA 65 Ca -0.46 -0.02 0.21 0.00 0.00 0.00 0.00 54.91 54.63 1wg5 h ALA 65 Cb 1.21 0.05 -0.13 0.00 0.00 0.00 0.00 17.79 18.92 1wg5 h ALA 65 CO 0.59 -0.98 0.62 0.45 0.00 0.00 0.00 179.25 179.93 1wg5 s SER 66 N -5.30 -0.19 0.23 0.00 0.15 -1.25 -4.97 113.70 102.36 1wg5 s SER 66 Ca -0.05 -0.16 -0.07 0.00 0.70 0.00 0.00 55.95 56.38 1wg5 s SER 66 Cb 0.18 0.32 0.31 0.00 -1.71 0.00 0.00 66.02 65.13 1wg5 s SER 66 CO 0.66 -0.57 1.81 -0.61 1.20 0.00 0.00 173.24 175.73 1wg5 h GLN 67 N 2.00 0.74 -0.95 5.44 -0.00 -1.85 -0.70 115.11 119.78 1wg5 h GLN 67 Ca -0.22 -0.04 0.25 0.00 -0.00 0.00 0.00 58.65 58.63 1wg5 h GLN 67 Cb 1.22 -0.17 -0.06 0.00 0.00 0.00 0.00 27.48 28.47 1wg5 h GLN 67 CO 0.27 0.49 0.65 1.05 0.00 0.00 0.00 178.83 181.29 1wg5 h GLU 68 N 0.76 0.24 0.02 1.69 9.09 -1.96 0.23 114.58 124.65 1wg5 h GLU 68 Ca 0.34 -0.01 -0.26 0.00 0.05 0.00 0.00 59.36 59.48 1wg5 h GLU 68 Cb 0.24 -0.05 -0.03 0.00 -1.65 0.00 0.00 28.75 27.26 1wg5 h GLU 68 CO -0.20 0.16 -1.35 0.82 0.05 0.00 0.00 179.01 178.49 1wg5 h ILE 69 N 0.25 1.31 -0.39 -1.06 2.04 -1.56 -3.32 117.51 114.79 1wg5 h ILE 69 Ca 0.49 -3.06 -0.01 0.00 1.00 0.00 0.00 64.86 63.29 1wg5 h ILE 69 Cb 1.50 2.68 -0.02 0.00 -0.74 0.00 0.00 36.82 40.24 1wg5 h ILE 69 CO -0.14 0.77 0.22 0.00 0.00 0.00 0.00 178.15 179.00 1wg5 h ALA 70 N 0.91 0.49 -0.63 1.87 0.00 0.27 -2.78 119.26 119.40 1wg5 h ALA 70 Ca -0.15 -0.07 0.04 0.00 0.00 0.00 0.00 54.91 54.72 1wg5 h ALA 70 Cb 1.90 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 19.49 1wg5 h ALA 70 CO 0.12 0.01 0.38 0.93 0.00 0.00 0.00 179.25 180.69 1wg5 h GLU 71 N 0.50 0.71 -0.54 0.00 5.08 -1.44 0.56 114.58 119.45 1wg5 h GLU 71 Ca 0.14 -0.04 0.09 0.00 -1.00 0.00 0.00 59.36 58.54 1wg5 h GLU 71 Cb 0.04 -0.16 -0.03 0.00 0.50 0.00 0.00 28.75 29.10 1wg5 h GLU 71 CO -0.02 0.47 0.36 0.87 -1.00 0.00 0.00 179.01 179.69 1wg5 h LYS 72 N 0.73 0.35 0.00 2.33 1.57 -1.59 -0.65 116.57 119.30 1wg5 h LYS 72 Ca 0.26 -0.02 -0.18 0.00 -1.87 0.00 0.00 60.65 58.84 1wg5 h LYS 72 Cb 0.07 -0.08 -0.03 0.00 0.08 0.00 0.00 32.23 32.27 1wg5 h LYS 72 CO -0.13 0.23 -1.05 0.00 -0.57 0.00 0.00 179.45 177.94 1wg5 h ALA 73 N 1.72 0.59 -0.91 3.86 0.00 -1.01 -3.33 119.26 120.18 1wg5 h ALA 73 Ca 0.25 -0.83 0.12 0.00 0.00 0.00 0.00 54.91 54.44 1wg5 h ALA 73 Cb 0.49 0.07 -0.08 0.00 0.00 0.00 0.00 17.79 18.27 1wg5 h ALA 73 CO -0.06 1.02 0.54 -0.07 0.00 0.00 0.00 179.25 180.68 1wg5 h LEU 74 N 0.00 0.77 -2.15 0.00 3.38 0.68 0.26 115.31 118.25 1wg5 h LEU 74 Ca -0.09 0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1wg5 h LEU 74 Cb 1.64 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 42.30 1wg5 h LEU 74 CO 0.08 0.40 0.09 0.11 0.09 0.00 0.00 178.44 179.21 1wg5 h LYS 75 N 0.85 0.00 -1.34 1.13 1.79 -1.64 -1.95 116.57 115.41 1wg5 h LYS 75 Ca 0.46 0.00 -0.12 0.00 -2.18 0.00 0.00 60.65 58.81 1wg5 h LYS 75 Cb 0.49 0.00 -0.06 0.00 -1.58 0.00 0.00 32.23 31.08 1wg5 h LYS 75 CO -0.28 0.00 0.16 1.63 -1.08 0.00 0.00 179.45 179.88 1wg5 n LYS 76 N -2.71 1.30 -2.69 3.15 5.02 0.91 -4.91 118.16 118.23 1wg5 n LYS 76 Ca -0.02 -0.66 -0.34 0.00 -2.02 0.00 0.00 58.31 55.27 1wg5 n LYS 76 Cb 0.14 -1.26 -0.05 0.00 -0.02 0.00 0.00 35.03 33.84 1wg5 n LYS 76 CO 0.00 0.00 0.00 -1.58 -0.52 0.00 0.00 177.40 175.30 1wg5 s HIS 77 N -0.74 3.19 0.00 2.13 2.46 -0.74 -3.21 115.29 118.38 1wg5 s HIS 77 Ca 0.13 1.60 0.00 0.00 0.47 0.00 0.00 55.06 57.26 1wg5 s HIS 77 Cb 0.10 -2.95 0.00 0.00 -0.13 0.00 0.00 32.58 29.60 1wg5 s HIS 77 CO 0.01 -0.42 0.00 1.63 -2.47 0.00 0.00 174.74 173.49 1wg5 n LYS 78 N -0.71 -0.33 -1.94 2.88 4.76 0.60 -4.92 118.16 118.50 1wg5 n LYS 78 Ca 0.08 0.08 -0.43 0.00 -2.87 0.00 0.00 58.31 55.17 1wg5 n LYS 78 Cb 0.53 -3.84 -0.03 0.00 -1.84 0.00 0.00 35.03 29.85 1wg5 n LYS 78 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 1wg5 s GLU 79 N -0.77 3.54 0.28 1.97 0.41 -1.02 -3.67 118.70 119.44 1wg5 s GLU 79 Ca 0.00 1.73 -0.26 0.00 -0.41 0.00 0.00 54.97 56.03 1wg5 s GLU 79 Cb 0.00 -4.16 -0.09 0.00 -1.78 0.00 0.00 34.13 28.09 1wg5 s GLU 79 CO 0.00 -1.61 0.90 -0.98 -0.49 0.00 0.00 175.26 173.08 1wg5 s ARG 80 N 5.31 4.59 -0.64 1.61 1.04 -1.26 -1.64 118.95 127.95 1wg5 s ARG 80 Ca 0.81 1.28 -0.01 0.00 -1.04 0.00 0.00 55.73 56.78 1wg5 s ARG 80 Cb -0.27 -2.93 0.16 0.00 -2.04 0.00 0.00 34.95 29.88 1wg5 s ARG 80 CO 0.33 0.36 0.45 0.42 -0.04 0.00 0.00 175.30 176.82 1wg5 s ILE 81 N -1.49 3.53 0.00 4.99 1.01 -0.94 -4.80 121.20 123.49 1wg5 s ILE 81 Ca 0.47 -3.22 0.00 0.00 0.00 0.00 0.00 60.65 57.90 1wg5 s ILE 81 Cb -0.20 -3.31 0.00 0.00 0.01 0.00 0.00 42.46 38.96 1wg5 s ILE 81 CO 0.25 -0.90 0.00 0.61 0.00 0.00 0.00 174.94 174.90 1wg5 n GLY 82 N 3.18 2.53 2.12 6.18 0.00 -1.26 -4.29 105.19 113.64 1wg5 n GLY 82 Ca 0.10 -0.55 -0.02 0.00 0.00 0.00 0.00 46.02 45.55 1wg5 n GLY 82 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1wg5 n HIS 83 N 0.00 -0.30 -3.15 1.61 1.44 -1.26 -5.12 115.22 108.44 1wg5 n HIS 83 Ca 0.00 -0.44 0.04 0.00 -2.01 0.00 0.00 57.72 55.32 1wg5 n HIS 83 Cb 0.00 0.91 -0.01 0.00 0.12 0.00 0.00 29.99 31.01 1wg5 n HIS 83 CO 0.00 0.00 0.00 1.03 -2.81 0.00 0.00 176.34 174.56 1wg5 s ARG 84 N 0.02 0.44 0.33 -1.40 1.81 -1.26 -5.04 118.95 113.86 1wg5 s ARG 84 Ca 0.02 0.72 -0.28 0.00 -1.72 0.00 0.00 55.73 54.47 1wg5 s ARG 84 Cb 0.06 0.39 -0.12 0.00 -0.45 0.00 0.00 34.95 34.82 1wg5 s ARG 84 CO -0.01 -0.55 1.30 0.66 -0.68 0.00 0.00 175.30 176.02 1wg5 n TYR 85 N 5.42 2.28 -4.69 -0.53 4.01 -1.26 -2.23 117.16 120.16 1wg5 n TYR 85 Ca -0.01 0.54 -0.33 0.00 -0.16 0.00 0.00 57.90 57.94 1wg5 n TYR 85 Cb 0.52 -2.42 -0.13 0.00 -0.31 0.00 0.00 39.34 37.01 1wg5 n TYR 85 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 1wg5 s ILE 86 N -1.01 3.38 -0.34 -0.72 -1.09 -0.65 -4.58 121.20 116.19 1wg5 s ILE 86 Ca 0.56 -0.57 -0.09 0.00 -2.23 0.00 0.00 60.65 58.33 1wg5 s ILE 86 Cb -0.57 -2.40 0.02 0.00 -1.58 0.00 0.00 42.46 37.92 1wg5 s ILE 86 CO 0.61 0.55 0.15 -1.61 -1.23 0.00 0.00 174.94 173.41 1wg5 s GLU 87 N -0.15 2.90 -0.16 2.79 2.02 0.11 0.22 118.70 126.44 1wg5 s GLU 87 Ca 0.01 -1.01 -0.10 0.00 0.02 0.00 0.00 54.97 53.89 1wg5 s GLU 87 Cb -0.13 -3.56 -0.05 0.00 0.10 0.00 0.00 34.13 30.49 1wg5 s GLU 87 CO 0.03 -0.60 0.18 0.42 0.02 0.00 0.00 175.26 175.32 1wg5 s ILE 88 N 1.51 5.39 -0.09 -1.63 1.01 -1.26 0.22 121.20 126.35 1wg5 s ILE 88 Ca 0.02 0.31 -0.03 0.00 0.00 0.00 0.00 60.65 60.94 1wg5 s ILE 88 Cb -0.19 -3.50 0.04 0.00 0.01 0.00 0.00 42.46 38.83 1wg5 s ILE 88 CO 0.05 0.49 0.07 -0.36 0.00 0.00 0.00 174.94 175.19 1wg5 s PHE 89 N -0.12 0.14 0.07 3.97 0.08 0.95 -4.90 117.98 118.18 1wg5 s PHE 89 Ca 0.13 0.01 -0.34 0.00 0.12 0.00 0.00 56.93 56.84 1wg5 s PHE 89 Cb -0.12 -0.58 -0.18 0.00 -0.57 0.00 0.00 43.02 41.57 1wg5 s PHE 89 CO 0.02 -0.33 0.84 1.17 -0.10 0.00 0.00 175.22 176.82 1wg5 n LYS 90 N 5.29 0.00 -2.71 0.44 0.00 -1.26 -0.90 118.16 119.01 1wg5 n LYS 90 Ca -0.05 0.00 -0.07 0.00 0.00 0.00 0.00 58.31 58.19 1wg5 n LYS 90 Cb 0.50 -1.27 -0.02 0.00 0.00 0.00 0.00 35.03 34.23 1wg5 n LYS 90 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 1wg5 n SER 91 N 1.64 0.39 -4.20 3.14 2.88 0.42 -4.68 113.62 113.20 1wg5 n SER 91 Ca 0.19 -1.67 -0.12 0.00 -1.33 0.00 0.00 58.87 55.94 1wg5 n SER 91 Cb 0.14 0.42 -0.10 0.00 -0.75 0.00 0.00 64.21 63.92 1wg5 n SER 91 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1wg5 s SER 92 N -1.74 0.86 0.15 -3.46 0.15 -1.26 -3.75 113.70 104.65 1wg5 s SER 92 Ca 0.09 -1.16 -0.16 0.00 0.70 0.00 0.00 55.95 55.42 1wg5 s SER 92 Cb 0.00 0.18 0.03 0.00 -1.71 0.00 0.00 66.02 64.53 1wg5 s SER 92 CO 0.07 -0.62 1.78 -0.09 1.20 0.00 0.00 173.24 175.58 1wg5 h ARG 93 N 2.80 0.37 0.22 5.44 2.43 -1.96 -2.85 114.38 120.83 1wg5 h ARG 93 Ca -0.36 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 58.79 1wg5 h ARG 93 Cb 1.20 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 30.64 1wg5 h ARG 93 CO 0.62 0.24 -0.22 0.00 -1.51 0.00 0.00 179.97 179.10 1wg5 h ALA 94 N 1.18 -0.45 -0.74 2.80 0.00 -2.00 -3.00 119.26 117.04 1wg5 h ALA 94 Ca 0.15 -0.07 0.09 0.00 0.00 0.00 0.00 54.91 55.08 1wg5 h ALA 94 Cb 0.05 0.32 -0.11 0.00 0.00 0.00 0.00 17.79 18.04 1wg5 h ALA 94 CO -0.10 -0.78 -0.50 0.93 0.00 0.00 0.00 179.25 178.80 1wg5 h GLU 95 N -0.48 -0.15 -4.39 0.00 5.08 -1.82 -3.40 114.58 109.42 1wg5 h GLU 95 Ca -0.00 0.01 -0.58 0.00 -1.00 0.00 0.00 59.36 57.79 1wg5 h GLU 95 Cb 0.44 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.71 1wg5 h GLU 95 CO -0.05 -0.10 0.88 0.28 -1.00 0.00 0.00 179.01 179.02 1wg5 n VAL 96 N -5.36 0.00 -1.48 3.13 0.31 -1.09 -4.77 118.33 109.06 1wg5 n VAL 96 Ca 0.02 0.00 -0.38 0.00 -0.01 0.00 0.00 64.34 63.97 1wg5 n VAL 96 Cb 0.33 -0.37 0.04 0.00 -0.91 0.00 0.00 33.84 32.93 1wg5 n VAL 96 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 1wg5 n ARG 97 N 5.00 0.57 -2.69 5.55 1.74 -1.26 -4.95 116.66 120.61 1wg5 n ARG 97 Ca 0.37 0.22 -0.06 0.00 -0.77 0.00 0.00 57.85 57.61 1wg5 n ARG 97 Cb -0.03 -1.74 0.12 0.00 -1.02 0.00 0.00 32.46 29.79 1wg5 n ARG 97 CO 0.00 0.00 0.00 -2.37 -1.52 0.00 0.00 177.63 173.74 1wg5 n THR 98 N -1.62 0.00 -1.74 0.55 5.66 -1.26 -5.13 114.28 110.74 1wg5 n THR 98 Ca 0.12 -1.37 0.00 0.00 -3.05 0.00 0.00 64.05 59.74 1wg5 n THR 98 Cb 0.47 1.00 0.00 0.00 -1.55 0.00 0.00 70.33 70.25 1wg5 n THR 98 CO 0.00 0.00 0.00 -0.24 -3.05 0.00 0.00 175.07 171.78 1wg5 n SER 99 N -0.85 -9.18 0.00 1.09 2.88 -1.26 -5.00 113.62 101.30 1wg5 n SER 99 Ca -0.07 1.32 0.00 0.00 -1.33 0.00 0.00 58.87 58.79 1wg5 n SER 99 Cb 0.86 -5.08 0.00 0.00 -0.75 0.00 0.00 64.21 59.24 1wg5 n SER 99 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wg5 n GLY 100 N -0.35 -1.77 3.72 0.46 0.00 -1.26 -5.00 105.19 100.99 1wg5 n GLY 100 Ca 0.00 -1.93 -0.30 0.00 0.00 0.00 0.00 46.02 43.79 1wg5 n GLY 100 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wg5 s PRO 101 N 0.00 1.37 0.19 1.61 0.04 -1.26 -5.08 135.00 131.87 1wg5 s PRO 101 Ca 0.00 0.86 0.10 0.00 0.04 0.00 0.00 61.00 62.00 1wg5 s PRO 101 Cb 0.00 -1.82 -0.04 0.00 0.04 0.00 0.00 34.50 32.68 1wg5 s PRO 101 CO 0.00 -2.18 -0.21 0.45 0.04 0.00 0.00 177.00 175.11 1wg5 s SER 102 N -3.42 3.09 -0.20 6.66 0.15 -1.26 -4.95 113.70 113.78 1wg5 s SER 102 Ca 0.63 -0.88 -0.09 0.00 0.70 0.00 0.00 55.95 56.31 1wg5 s SER 102 Cb -0.18 -0.21 -0.20 0.00 -1.71 0.00 0.00 66.02 63.72 1wg5 s SER 102 CO 0.57 0.04 0.07 -1.20 1.20 0.00 0.00 173.24 173.92 1wg5 n SER 103 N 0.19 2.01 0.00 5.45 7.64 -1.26 -5.21 113.62 122.44 1wg5 n SER 103 Ca -0.12 0.18 0.00 0.00 1.01 0.00 0.00 58.87 59.94 1wg5 n SER 103 Cb 0.57 -0.76 0.00 0.00 -1.01 0.00 0.00 64.21 63.00 1wg5 n SER 103 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64