#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wg5 s SER 2 N 0.00 -1.22 0.33 1.61 0.01 -1.26 -5.15 113.70 108.01 1wg5 s SER 2 Ca 0.00 -1.46 0.03 0.00 1.31 0.00 0.00 55.95 55.83 1wg5 s SER 2 Cb 0.00 1.75 -0.05 0.00 0.21 0.00 0.00 66.02 67.93 1wg5 s SER 2 CO 0.00 -0.11 0.09 -0.44 0.41 0.00 0.00 173.24 173.19 1wg5 s SER 3 N 1.20 2.16 0.00 2.44 0.01 -1.26 -5.11 113.70 113.15 1wg5 s SER 3 Ca 0.25 -1.45 0.00 0.00 1.31 0.00 0.00 55.95 56.05 1wg5 s SER 3 Cb -0.02 0.12 0.00 0.00 0.21 0.00 0.00 66.02 66.33 1wg5 s SER 3 CO -0.06 -0.72 0.00 0.61 0.41 0.00 0.00 173.24 173.48 1wg5 n GLY 4 N -0.68 -0.49 2.87 3.44 0.00 -1.26 -5.12 105.19 103.95 1wg5 n GLY 4 Ca -0.02 0.55 -0.02 0.00 0.00 0.00 0.00 46.02 46.52 1wg5 n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1wg5 n SER 5 N 0.00 -4.56 -4.97 1.61 7.64 -1.26 -4.99 113.62 107.09 1wg5 n SER 5 Ca 0.00 1.12 -0.22 0.00 1.01 0.00 0.00 58.87 60.78 1wg5 n SER 5 Cb 0.00 -3.25 0.02 0.00 -1.01 0.00 0.00 64.21 59.96 1wg5 n SER 5 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1wg5 s SER 6 N -0.40 5.69 -0.25 6.43 0.01 -1.26 -5.10 113.70 118.81 1wg5 s SER 6 Ca -0.12 0.11 -0.02 0.00 1.31 0.00 0.00 55.95 57.23 1wg5 s SER 6 Cb 0.01 -1.27 0.12 0.00 0.21 0.00 0.00 66.02 65.09 1wg5 s SER 6 CO 0.37 -0.79 0.27 -0.83 0.41 0.00 0.00 173.24 172.66 1wg5 s GLY 7 N -4.28 -0.08 0.48 3.44 0.00 -1.26 -5.14 107.32 100.49 1wg5 s GLY 7 Ca 0.51 -0.03 -0.14 0.00 0.00 0.00 0.00 44.72 45.06 1wg5 s GLY 7 CO 0.37 2.44 -0.23 0.70 0.00 0.00 0.00 173.10 176.38 1wg5 n ASN 8 N 5.32 -3.26 -2.82 1.64 3.02 -1.26 -4.97 115.26 112.93 1wg5 n ASN 8 Ca -0.04 0.41 -0.03 0.00 -0.03 0.00 0.00 54.58 54.89 1wg5 n ASN 8 Cb 0.48 -0.63 0.01 0.00 -0.61 0.00 0.00 39.78 39.02 1wg5 n ASN 8 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 1wg5 s SER 9 N -0.76 -1.41 1.09 6.41 0.15 -1.26 -5.09 113.70 112.83 1wg5 s SER 9 Ca 0.40 -1.55 -0.08 0.00 0.70 0.00 0.00 55.95 55.43 1wg5 s SER 9 Cb -0.32 1.84 0.11 0.00 -1.71 0.00 0.00 66.02 65.94 1wg5 s SER 9 CO 0.54 -0.06 0.40 -0.81 1.20 0.00 0.00 173.24 174.50 1wg5 n PRO 10 N 3.13 -1.81 -1.48 5.44 -0.04 -1.26 -4.78 135.00 134.20 1wg5 n PRO 10 Ca 0.17 -0.64 -0.43 0.00 -0.04 0.00 0.00 63.50 62.56 1wg5 n PRO 10 Cb 0.57 -0.60 -0.10 0.00 -0.04 0.00 0.00 33.50 33.32 1wg5 n PRO 10 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1wg5 n ASP 11 N -3.69 1.16 0.00 3.54 2.03 -1.26 -4.55 116.55 113.78 1wg5 n ASP 11 Ca 0.06 0.09 0.00 0.00 0.52 0.00 0.00 54.79 55.45 1wg5 n ASP 11 Cb 0.22 -1.15 0.00 0.00 -0.72 0.00 0.00 41.12 39.47 1wg5 n ASP 11 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 1wg5 n THR 12 N 7.49 0.00 -4.02 5.18 -2.24 -1.26 -5.05 114.28 114.37 1wg5 n THR 12 Ca 0.53 0.00 -0.33 0.00 -2.27 0.00 0.00 64.05 61.98 1wg5 n THR 12 Cb 0.19 -0.69 -0.15 0.00 -2.10 0.00 0.00 70.33 67.58 1wg5 n THR 12 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1wg5 s ALA 13 N -1.94 2.59 -0.51 6.98 0.00 -1.26 -5.00 121.76 122.62 1wg5 s ALA 13 Ca 0.00 -1.54 -0.02 0.00 0.00 0.00 0.00 51.96 50.40 1wg5 s ALA 13 Cb 0.00 -1.57 0.21 0.00 0.00 0.00 0.00 23.12 21.76 1wg5 s ALA 13 CO 0.00 -0.88 2.32 0.27 0.00 0.00 0.00 175.76 177.47 1wg5 n ASN 14 N 4.58 6.84 -0.08 0.00 6.94 -1.26 -4.27 115.26 128.01 1wg5 n ASN 14 Ca -0.16 -3.36 -0.11 0.00 -0.02 0.00 0.00 54.58 50.92 1wg5 n ASN 14 Cb 0.46 -1.12 -0.15 0.00 -2.36 0.00 0.00 39.78 36.61 1wg5 n ASN 14 CO 0.00 0.00 0.00 0.47 -1.03 0.00 0.00 177.26 176.70 1wg5 n ASP 15 N 0.22 0.55 0.00 0.53 8.00 -1.26 -4.34 116.55 120.24 1wg5 n ASP 15 Ca 0.47 0.07 0.00 0.00 0.71 0.00 0.00 54.79 56.03 1wg5 n ASP 15 Cb 0.53 0.51 0.00 0.00 -0.02 0.00 0.00 41.12 42.13 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 1.80 0.89 3.80 0.44 0.00 -1.26 -3.14 105.19 107.71 1wg5 n GLY 16 Ca -0.32 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.36 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 -1.73 3.03 -0.04 1.61 0.08 -1.19 -2.13 117.98 117.61 1wg5 s PHE 17 Ca 0.00 1.57 -0.03 0.00 0.12 0.00 0.00 56.93 58.60 1wg5 s PHE 17 Cb 0.00 -3.04 0.02 0.00 -0.57 0.00 0.00 43.02 39.43 1wg5 s PHE 17 CO 0.00 -0.78 0.10 0.14 -0.10 0.00 0.00 175.22 174.58 1wg5 s VAL 18 N -2.03 -0.03 -0.11 -0.44 -7.23 0.45 -0.34 120.40 110.67 1wg5 s VAL 18 Ca 0.66 0.11 -0.06 0.00 -1.81 0.00 0.00 61.98 60.88 1wg5 s VAL 18 Cb -0.16 -0.17 -0.04 0.00 0.56 0.00 0.00 36.38 36.58 1wg5 s VAL 18 CO 0.20 0.04 0.12 -0.60 -0.31 0.00 0.00 175.10 174.56 1wg5 s ARG 19 N 0.66 3.37 0.06 4.82 3.52 0.66 -0.99 118.95 131.05 1wg5 s ARG 19 Ca -0.05 -0.19 0.08 0.00 -0.13 0.00 0.00 55.73 55.44 1wg5 s ARG 19 Cb -0.07 -3.12 -0.03 0.00 -1.56 0.00 0.00 34.95 30.16 1wg5 s ARG 19 CO -0.03 0.76 -0.18 -0.51 -0.81 0.00 0.00 175.30 174.53 1wg5 s LEU 20 N -1.09 2.62 -0.04 -0.88 1.43 0.27 0.02 118.68 121.01 1wg5 s LEU 20 Ca 0.16 -0.47 -0.01 0.00 -1.03 0.00 0.00 54.13 52.78 1wg5 s LEU 20 Cb -0.12 -1.52 0.03 0.00 0.03 0.00 0.00 46.19 44.62 1wg5 s LEU 20 CO 0.05 0.24 0.07 -0.13 0.23 0.00 0.00 176.35 176.80 1wg5 s ARG 21 N -1.62 -0.00 0.00 1.70 0.52 0.76 -2.91 118.95 117.39 1wg5 s ARG 21 Ca 0.15 0.27 0.00 0.00 -0.52 0.00 0.00 55.73 55.63 1wg5 s ARG 21 Cb -0.10 -0.25 0.00 0.00 0.52 0.00 0.00 34.95 35.11 1wg5 s ARG 21 CO 0.06 -0.19 0.00 0.41 0.02 0.00 0.00 175.30 175.61 1wg5 n GLY 22 N 4.33 1.56 3.77 -3.53 0.00 -0.47 -0.78 105.19 110.07 1wg5 n GLY 22 Ca -0.25 -0.12 -0.38 0.00 0.00 0.00 0.00 46.02 45.27 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 -0.04 4.17 1.11 0.99 1.43 -1.16 -4.55 118.68 120.63 1wg5 s LEU 23 Ca 0.00 2.44 -0.16 0.00 -1.03 0.00 0.00 54.13 55.38 1wg5 s LEU 23 Cb 0.00 -4.02 0.24 0.00 0.03 0.00 0.00 46.19 42.45 1wg5 s LEU 23 CO 0.00 -0.78 1.10 -2.16 0.23 0.00 0.00 176.35 174.75 1wg5 s PRO 24 N -2.33 -0.45 0.05 1.29 0.04 -1.26 -4.71 135.00 127.63 1wg5 s PRO 24 Ca 0.58 0.21 -0.31 0.00 0.04 0.00 0.00 61.00 61.52 1wg5 s PRO 24 Cb -0.33 -1.66 -0.07 0.00 0.04 0.00 0.00 34.50 32.48 1wg5 s PRO 24 CO 0.41 -3.25 1.41 -0.06 0.04 0.00 0.00 177.00 175.55 1wg5 s PHE 25 N -2.99 2.98 0.00 0.56 0.08 -1.26 -2.36 117.98 114.99 1wg5 s PHE 25 Ca 0.68 0.84 0.00 0.00 0.12 0.00 0.00 56.93 58.57 1wg5 s PHE 25 Cb -0.14 -3.69 0.00 0.00 -0.57 0.00 0.00 43.02 38.62 1wg5 s PHE 25 CO 0.57 -2.51 0.00 0.41 -0.10 0.00 0.00 175.22 173.59 1wg5 n GLY 26 N 3.60 0.44 3.65 4.36 0.00 -1.26 -4.98 105.19 111.01 1wg5 n GLY 26 Ca 0.13 -0.52 -0.42 0.00 0.00 0.00 0.00 46.02 45.20 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 4.12 1.93 0.20 0.00 0.01 -1.26 -5.01 113.70 113.69 1wg5 s SER 28 Ca 0.81 -1.71 -0.11 0.00 1.31 0.00 0.00 55.95 56.25 1wg5 s SER 28 Cb -0.36 0.53 0.27 0.00 0.21 0.00 0.00 66.02 66.67 1wg5 s SER 28 CO 0.35 -1.01 1.70 0.11 0.41 0.00 0.00 173.24 174.80 1wg5 h LYS 29 N 2.06 0.23 -1.27 12.44 1.57 -1.98 0.48 116.57 130.11 1wg5 h LYS 29 Ca -0.29 -0.01 0.38 0.00 -1.87 0.00 0.00 60.65 58.86 1wg5 h LYS 29 Cb 1.25 -0.05 -0.11 0.00 0.08 0.00 0.00 32.23 33.40 1wg5 h LYS 29 CO 0.44 0.15 0.84 0.93 -0.57 0.00 0.00 179.45 181.24 1wg5 h GLU 30 N 0.24 0.15 0.03 3.15 5.08 -1.97 0.73 114.58 121.99 1wg5 h GLU 30 Ca 0.30 -0.01 -0.29 0.00 -1.00 0.00 0.00 59.36 58.36 1wg5 h GLU 30 Cb 0.44 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.62 1wg5 h GLU 30 CO -0.39 0.10 -1.62 0.93 -1.00 0.00 0.00 179.01 177.02 1wg5 h GLU 31 N 0.16 0.06 0.52 2.33 4.39 -1.34 -3.36 114.58 117.34 1wg5 h GLU 31 Ca 0.73 -0.11 -0.03 0.00 0.34 0.00 0.00 59.36 60.30 1wg5 h GLU 31 Cb 2.31 0.04 0.01 0.00 -0.10 0.00 0.00 28.75 31.01 1wg5 h GLU 31 CO -0.31 0.73 -0.25 0.82 -1.16 0.00 0.00 179.01 178.84 1wg5 h ILE 32 N 0.02 0.00 -0.83 3.13 2.04 0.15 -1.36 117.51 120.66 1wg5 h ILE 32 Ca -0.26 -0.42 0.20 0.00 1.00 0.00 0.00 64.86 65.38 1wg5 h ILE 32 Cb 1.98 0.00 -0.16 0.00 -0.74 0.00 0.00 36.82 37.91 1wg5 h ILE 32 CO 0.10 0.00 -0.08 0.52 0.00 0.00 0.00 178.15 178.68 1wg5 n VAL 33 N -5.06 -0.35 0.03 1.67 0.31 0.10 0.20 118.33 115.23 1wg5 n VAL 33 Ca -0.09 1.87 -0.11 0.00 -0.01 0.00 0.00 64.34 66.00 1wg5 n VAL 33 Cb 0.28 -2.66 0.01 0.00 -0.91 0.00 0.00 33.84 30.56 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 0.51 -0.05 5.55 4.20 -1.71 -3.01 115.11 120.60 1wg5 h GLN 34 Ca 0.46 -0.40 0.02 0.00 0.06 0.00 0.00 58.65 58.78 1wg5 h GLN 34 Cb 0.85 0.08 -0.00 0.00 0.30 0.00 0.00 27.48 28.70 1wg5 h GLN 34 CO -0.82 1.03 0.10 0.35 -0.67 0.00 0.00 178.83 178.82 1wg5 h PHE 35 N 0.36 0.00 -0.81 2.96 3.57 0.34 -0.68 116.94 122.68 1wg5 h PHE 35 Ca -0.03 0.00 -0.53 0.00 3.53 0.00 0.00 57.97 60.94 1wg5 h PHE 35 Cb 1.29 0.00 -0.30 0.00 2.79 0.00 0.00 35.95 39.73 1wg5 h PHE 35 CO 0.05 0.00 0.19 1.19 -2.23 0.00 0.00 178.31 177.52 1wg5 n PHE 36 N -3.50 2.68 -1.55 0.41 3.72 -0.42 -5.04 117.46 113.76 1wg5 n PHE 36 Ca -0.02 -2.40 -0.45 0.00 -0.05 0.00 0.00 57.45 54.53 1wg5 n PHE 36 Cb 0.18 -0.90 -0.01 0.00 -0.94 0.00 0.00 39.48 37.80 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 -0.93 0.68 0.00 4.37 3.41 -0.26 -1.05 113.62 119.83 1wg5 n SER 37 Ca 0.52 1.13 0.00 0.00 -0.26 0.00 0.00 58.87 60.26 1wg5 n SER 37 Cb 0.94 -1.22 0.00 0.00 -0.26 0.00 0.00 64.21 63.66 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 1.39 2.78 3.88 5.00 0.00 -1.26 -5.01 105.19 111.97 1wg5 n GLY 38 Ca 0.11 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.82 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 4.08 -0.22 0.99 1.43 -0.22 -5.08 118.68 119.67 1wg5 s LEU 39 Ca 0.00 0.95 -0.06 0.00 -1.03 0.00 0.00 54.13 53.99 1wg5 s LEU 39 Cb 0.00 -3.75 -0.02 0.00 0.03 0.00 0.00 46.19 42.45 1wg5 s LEU 39 CO 0.00 -0.17 0.02 -0.70 0.23 0.00 0.00 176.35 175.73 1wg5 s GLU 40 N -3.17 3.61 0.13 1.70 2.12 -1.26 -5.00 118.70 116.83 1wg5 s GLU 40 Ca 0.48 -0.51 0.10 0.00 0.36 0.00 0.00 54.97 55.39 1wg5 s GLU 40 Cb -0.11 -3.15 -0.04 0.00 0.26 0.00 0.00 34.13 31.09 1wg5 s GLU 40 CO 0.24 -0.06 -0.21 0.42 -0.54 0.00 0.00 175.26 175.11 1wg5 s ILE 41 N 1.21 2.65 0.51 -3.70 1.01 -1.26 -2.04 121.20 119.58 1wg5 s ILE 41 Ca 0.04 -1.63 -0.20 0.00 0.00 0.00 0.00 60.65 58.85 1wg5 s ILE 41 Cb -0.15 -2.22 -0.07 0.00 0.01 0.00 0.00 42.46 40.04 1wg5 s ILE 41 CO 0.02 0.07 1.08 0.68 0.00 0.00 0.00 174.94 176.79 1wg5 s VAL 42 N -1.20 3.49 -0.16 2.92 -7.23 -1.15 -4.81 120.40 112.26 1wg5 s VAL 42 Ca 0.17 0.94 -0.29 0.00 -1.81 0.00 0.00 61.98 60.99 1wg5 s VAL 42 Cb -0.10 -3.39 -0.03 0.00 0.56 0.00 0.00 36.38 33.42 1wg5 s VAL 42 CO 0.09 -0.19 1.57 -2.16 -0.31 0.00 0.00 175.10 174.10 1wg5 s PRO 43 N -3.21 3.99 -0.28 4.82 0.04 -1.26 -2.63 135.00 136.47 1wg5 s PRO 43 Ca 0.69 1.83 -0.00 0.00 0.04 0.00 0.00 61.00 63.56 1wg5 s PRO 43 Cb -0.20 -3.97 0.00 0.00 0.04 0.00 0.00 34.50 30.36 1wg5 s PRO 43 CO 0.24 -1.05 0.05 -1.71 0.04 0.00 0.00 177.00 174.57 1wg5 n ASN 44 N 7.72 -2.06 -2.14 6.66 2.85 -1.26 -4.96 115.26 122.06 1wg5 n ASN 44 Ca 0.17 -0.03 -0.29 0.00 -0.11 0.00 0.00 54.58 54.33 1wg5 n ASN 44 Cb 0.44 -1.25 0.06 0.00 1.24 0.00 0.00 39.78 40.28 1wg5 n ASN 44 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1wg5 n GLY 45 N -0.94 6.01 3.03 8.20 0.00 -1.08 -4.97 105.19 115.45 1wg5 n GLY 45 Ca -0.03 -2.37 -0.19 0.00 0.00 0.00 0.00 46.02 43.43 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 -3.69 0.82 -0.10 1.61 -1.94 -1.26 0.17 119.30 114.91 1wg5 s MET 46 Ca 0.58 -0.35 0.02 0.00 -1.71 0.00 0.00 55.69 54.23 1wg5 s MET 46 Cb 0.46 -0.79 0.01 0.00 2.01 0.00 0.00 34.83 36.52 1wg5 s MET 46 CO 0.01 0.20 -0.17 0.99 -0.01 0.00 0.00 175.02 176.05 1wg5 s THR 47 N -0.19 1.56 -0.38 2.05 2.01 0.12 -4.95 115.64 115.85 1wg5 s THR 47 Ca 0.03 -0.70 0.01 0.00 0.31 0.00 0.00 61.69 61.35 1wg5 s THR 47 Cb -0.04 -1.40 0.12 0.00 0.01 0.00 0.00 72.50 71.18 1wg5 s THR 47 CO -0.00 0.45 0.18 -0.76 -0.69 0.00 0.00 174.62 173.80 1wg5 s LEU 48 N 0.81 2.51 1.13 4.42 1.43 -1.26 -0.24 118.68 127.49 1wg5 s LEU 48 Ca -0.10 -2.22 -0.17 0.00 -1.03 0.00 0.00 54.13 50.62 1wg5 s LEU 48 Cb -0.16 -0.96 0.25 0.00 0.03 0.00 0.00 46.19 45.35 1wg5 s LEU 48 CO 0.01 -0.33 1.10 -2.16 0.23 0.00 0.00 176.35 175.20 1wg5 s PRO 49 N 0.88 -0.63 0.25 1.29 0.04 -1.26 -5.01 135.00 130.57 1wg5 s PRO 49 Ca 0.14 0.15 -0.01 0.00 0.04 0.00 0.00 61.00 61.32 1wg5 s PRO 49 Cb -0.22 -1.65 0.01 0.00 0.04 0.00 0.00 34.50 32.68 1wg5 s PRO 49 CO -0.09 -3.36 0.35 1.33 0.04 0.00 0.00 177.00 175.26 1wg5 n VAL 50 N -4.55 0.00 -1.29 -0.36 0.24 -1.26 -3.60 118.33 107.51 1wg5 n VAL 50 Ca 0.10 -1.30 0.00 0.00 -2.04 0.00 0.00 64.34 61.10 1wg5 n VAL 50 Cb 0.59 0.79 0.00 0.00 -1.47 0.00 0.00 33.84 33.75 1wg5 n VAL 50 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 1wg5 n ASP 51 N -1.78 0.00 0.02 -1.34 2.03 0.06 -4.78 116.55 110.75 1wg5 n ASP 51 Ca 0.01 -0.85 0.10 0.00 0.52 0.00 0.00 54.79 54.57 1wg5 n ASP 51 Cb 0.42 0.00 0.42 0.00 -0.72 0.00 0.00 41.12 41.24 1wg5 n ASP 51 CO 0.00 0.00 0.00 0.33 -1.92 0.00 0.00 177.20 175.61 1wg5 n PHE 52 N -1.51 0.11 0.48 -0.67 7.35 -1.26 -2.47 117.46 119.49 1wg5 n PHE 52 Ca 0.00 0.04 0.05 0.00 -0.76 0.00 0.00 57.45 56.78 1wg5 n PHE 52 Cb 0.00 -0.56 -0.06 0.00 0.35 0.00 0.00 39.48 39.20 1wg5 n PHE 52 CO 0.00 0.00 0.00 1.04 -0.76 0.00 0.00 176.76 177.04 1wg5 n GLN 53 N -1.59 3.16 0.00 -4.13 1.13 -1.26 -4.98 117.38 109.70 1wg5 n GLN 53 Ca 0.04 -0.01 0.00 0.00 -1.94 0.00 0.00 57.00 55.10 1wg5 n GLN 53 Cb 0.23 -1.04 0.00 0.00 0.11 0.00 0.00 30.24 29.55 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 1.30 1.09 3.60 1.08 0.00 -1.03 -5.08 105.19 106.15 1wg5 n GLY 54 Ca 0.02 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.10 3.98 0.25 1.61 0.52 -1.26 -4.67 118.95 119.28 1wg5 s ARG 55 Ca 0.00 0.12 -0.19 0.00 -0.52 0.00 0.00 55.73 55.14 1wg5 s ARG 55 Cb 0.00 -3.68 -0.13 0.00 0.52 0.00 0.00 34.95 31.66 1wg5 s ARG 55 CO 0.00 -0.36 0.22 -1.13 0.02 0.00 0.00 175.30 174.05 1wg5 n SER 56 N 5.47 -1.74 -1.30 0.23 3.41 -1.26 -0.76 113.62 117.66 1wg5 n SER 56 Ca -0.06 0.76 0.10 0.00 -0.26 0.00 0.00 58.87 59.41 1wg5 n SER 56 Cb 0.50 -0.73 0.31 0.00 -0.26 0.00 0.00 64.21 64.03 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 -0.46 1.32 -1.39 6.66 -2.24 -1.24 -4.67 114.28 112.27 1wg5 n THR 57 Ca 0.11 -1.10 -0.12 0.00 -2.27 0.00 0.00 64.05 60.68 1wg5 n THR 57 Cb 0.27 0.35 -0.05 0.00 -2.10 0.00 0.00 70.33 68.80 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 1.22 1.24 3.20 3.38 0.00 -1.26 -4.89 105.19 108.08 1wg5 n GLY 58 Ca 0.23 -0.47 -0.19 0.00 0.00 0.00 0.00 46.02 45.59 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 -3.08 0.90 0.07 1.61 2.02 -1.26 -1.37 118.70 117.58 1wg5 s GLU 59 Ca 0.00 -1.05 -0.26 0.00 0.02 0.00 0.00 54.97 53.68 1wg5 s GLU 59 Cb 0.00 -0.89 0.07 0.00 0.10 0.00 0.00 34.13 33.41 1wg5 s GLU 59 CO 0.00 0.19 0.66 0.00 0.02 0.00 0.00 175.26 176.13 1wg5 s ALA 60 N -1.50 -1.69 -0.12 5.21 0.00 -1.15 -4.10 121.76 118.42 1wg5 s ALA 60 Ca 0.02 0.85 -0.00 0.00 0.00 0.00 0.00 51.96 52.82 1wg5 s ALA 60 Cb -0.09 0.50 0.03 0.00 0.00 0.00 0.00 23.12 23.56 1wg5 s ALA 60 CO 0.03 -0.61 -0.07 -0.06 0.00 0.00 0.00 175.76 175.04 1wg5 s PHE 61 N -2.75 1.51 0.00 0.00 0.08 0.67 -0.57 117.98 116.93 1wg5 s PHE 61 Ca -0.03 -0.78 0.02 0.00 0.12 0.00 0.00 56.93 56.27 1wg5 s PHE 61 Cb -0.01 -1.25 -0.04 0.00 -0.57 0.00 0.00 43.02 41.16 1wg5 s PHE 61 CO -0.04 -0.53 -0.02 0.08 -0.10 0.00 0.00 175.22 174.61 1wg5 s VAL 62 N 1.70 3.99 -0.32 -0.44 1.01 -0.16 0.11 120.40 126.29 1wg5 s VAL 62 Ca 0.05 -0.66 0.01 0.00 0.00 0.00 0.00 61.98 61.37 1wg5 s VAL 62 Cb -0.13 -2.77 0.08 0.00 0.00 0.00 0.00 36.38 33.56 1wg5 s VAL 62 CO -0.08 0.38 0.02 -1.58 0.00 0.00 0.00 175.10 173.83 1wg5 s GLN 63 N -1.53 2.05 0.67 2.72 0.74 0.13 -0.41 119.66 124.03 1wg5 s GLN 63 Ca 0.19 -1.54 -0.12 0.00 0.05 0.00 0.00 55.36 53.93 1wg5 s GLN 63 Cb -0.11 -3.17 -0.00 0.00 1.10 0.00 0.00 33.01 30.82 1wg5 s GLN 63 CO 0.09 -0.76 1.06 -0.06 -0.55 0.00 0.00 175.29 175.07 1wg5 s PHE 64 N 1.10 3.00 0.55 1.67 0.08 -0.90 -2.95 117.98 120.52 1wg5 s PHE 64 Ca 0.00 1.47 0.33 0.00 0.12 0.00 0.00 56.93 58.85 1wg5 s PHE 64 Cb -0.20 -2.95 1.50 0.00 -0.57 0.00 0.00 43.02 40.80 1wg5 s PHE 64 CO -0.05 -1.27 1.85 0.00 -0.10 0.00 0.00 175.22 175.66 1wg5 h ALA 65 N -0.37 2.87 -2.28 5.36 0.00 -1.64 -3.41 119.26 119.79 1wg5 h ALA 65 Ca -0.45 -0.03 0.19 0.00 0.00 0.00 0.00 54.91 54.62 1wg5 h ALA 65 Cb 1.22 0.07 -0.08 0.00 0.00 0.00 0.00 17.79 19.00 1wg5 h ALA 65 CO 0.56 -1.19 0.51 -1.54 0.00 0.00 0.00 179.25 177.60 1wg5 s SER 66 N -5.41 -0.16 0.10 0.00 1.04 -1.19 -4.97 113.70 103.11 1wg5 s SER 66 Ca -0.05 -0.39 -0.27 0.00 0.48 0.00 0.00 55.95 55.71 1wg5 s SER 66 Cb 0.21 0.46 -0.12 0.00 0.10 0.00 0.00 66.02 66.68 1wg5 s SER 66 CO 0.76 -0.86 1.66 -0.61 0.98 0.00 0.00 173.24 175.16 1wg5 h GLN 67 N 2.00 -0.46 -0.99 4.02 -0.00 -1.75 -1.42 115.11 116.51 1wg5 h GLN 67 Ca -0.25 0.03 0.35 0.00 -0.00 0.00 0.00 58.65 58.79 1wg5 h GLN 67 Cb 1.23 0.10 -0.18 0.00 0.00 0.00 0.00 27.48 28.64 1wg5 h GLN 67 CO 0.26 -0.31 0.36 1.05 0.00 0.00 0.00 178.83 180.19 1wg5 h GLU 68 N -0.48 0.05 0.00 1.69 4.11 -1.96 1.49 114.58 119.49 1wg5 h GLU 68 Ca -0.00 -0.00 -0.19 0.00 0.07 0.00 0.00 59.36 59.24 1wg5 h GLU 68 Cb 0.44 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.67 1wg5 h GLU 68 CO -0.05 0.03 -0.85 0.82 0.07 0.00 0.00 179.01 179.03 1wg5 h ILE 69 N 0.05 1.53 -0.90 -1.06 2.04 -1.83 -3.17 117.51 114.18 1wg5 h ILE 69 Ca 0.74 -2.70 -0.01 0.00 1.00 0.00 0.00 64.86 63.89 1wg5 h ILE 69 Cb 1.79 2.49 -0.04 0.00 -0.74 0.00 0.00 36.82 40.31 1wg5 h ILE 69 CO -0.80 0.78 0.51 0.00 0.00 0.00 0.00 178.15 178.65 1wg5 h ALA 70 N 1.06 1.22 -0.49 1.87 0.00 0.31 -2.57 119.26 120.66 1wg5 h ALA 70 Ca -0.03 -0.12 -0.12 0.00 0.00 0.00 0.00 54.91 54.65 1wg5 h ALA 70 Cb 1.48 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 18.90 1wg5 h ALA 70 CO 0.12 0.65 -0.15 0.93 0.00 0.00 0.00 179.25 180.80 1wg5 h GLU 71 N 1.24 0.97 -0.25 0.00 5.08 -1.24 -1.78 114.58 118.61 1wg5 h GLU 71 Ca 0.32 -0.39 0.06 0.00 -1.00 0.00 0.00 59.36 58.36 1wg5 h GLU 71 Cb -0.01 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.18 1wg5 h GLU 71 CO -0.06 1.06 0.17 0.87 -1.00 0.00 0.00 179.01 180.06 1wg5 h LYS 72 N 0.82 0.04 0.00 2.33 1.57 -1.44 -1.07 116.57 118.82 1wg5 h LYS 72 Ca 0.12 -0.00 -0.24 0.00 -1.87 0.00 0.00 60.65 58.65 1wg5 h LYS 72 Cb 0.72 -0.01 -0.04 0.00 0.08 0.00 0.00 32.23 32.98 1wg5 h LYS 72 CO 0.05 0.03 -1.37 0.00 -0.57 0.00 0.00 179.45 177.59 1wg5 h ALA 73 N 1.88 0.60 -0.85 3.86 0.00 -1.22 -3.35 119.26 120.18 1wg5 h ALA 73 Ca 0.12 -1.17 0.13 0.00 0.00 0.00 0.00 54.91 53.99 1wg5 h ALA 73 Cb 0.41 0.20 -0.09 0.00 0.00 0.00 0.00 17.79 18.32 1wg5 h ALA 73 CO -0.01 1.38 0.46 -0.07 0.00 0.00 0.00 179.25 181.01 1wg5 h LEU 74 N 0.00 0.59 -1.01 0.00 3.38 -0.30 0.39 115.31 118.36 1wg5 h LEU 74 Ca -0.16 0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.89 1wg5 h LEU 74 Cb 1.87 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 42.59 1wg5 h LEU 74 CO 0.10 0.28 0.08 0.29 0.09 0.00 0.00 178.44 179.27 1wg5 n LYS 75 N -4.82 0.10 -0.75 1.13 4.76 -1.17 -1.99 118.16 115.42 1wg5 n LYS 75 Ca 0.16 0.58 -0.13 0.00 -2.87 0.00 0.00 58.31 56.06 1wg5 n LYS 75 Cb 0.39 -1.91 0.04 0.00 -1.84 0.00 0.00 35.03 31.72 1wg5 n LYS 75 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 1wg5 n LYS 76 N -2.04 1.62 -2.50 1.97 5.02 0.14 -4.93 118.16 117.43 1wg5 n LYS 76 Ca -0.01 -1.25 -0.32 0.00 -2.02 0.00 0.00 58.31 54.71 1wg5 n LYS 76 Cb 0.10 -1.49 -0.04 0.00 -0.02 0.00 0.00 35.03 33.58 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 -1.43 3.42 0.00 2.13 2.46 -0.84 -3.45 115.29 117.58 1wg5 s HIS 77 Ca 0.24 1.48 0.00 0.00 0.47 0.00 0.00 55.06 57.25 1wg5 s HIS 77 Cb 0.19 -2.79 0.00 0.00 -0.13 0.00 0.00 32.58 29.85 1wg5 s HIS 77 CO 0.01 -0.30 0.00 1.63 -2.47 0.00 0.00 174.74 173.60 1wg5 n LYS 78 N -1.37 -0.88 -2.14 2.88 4.76 0.28 -4.91 118.16 116.78 1wg5 n LYS 78 Ca 0.06 0.22 -0.43 0.00 -2.87 0.00 0.00 58.31 55.30 1wg5 n LYS 78 Cb 0.54 -4.29 -0.02 0.00 -1.84 0.00 0.00 35.03 29.42 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 -1.19 3.68 0.25 1.97 0.41 -0.93 -3.88 118.70 119.01 1wg5 s GLU 79 Ca 0.00 1.50 -0.26 0.00 -0.41 0.00 0.00 54.97 55.80 1wg5 s GLU 79 Cb 0.00 -4.06 -0.09 0.00 -1.78 0.00 0.00 34.13 28.20 1wg5 s GLU 79 CO 0.00 -1.43 0.87 -0.98 -0.49 0.00 0.00 175.26 173.23 1wg5 s ARG 80 N 4.88 4.60 -0.66 1.61 1.04 -1.26 -0.75 118.95 128.41 1wg5 s ARG 80 Ca 0.71 1.26 -0.02 0.00 -1.04 0.00 0.00 55.73 56.64 1wg5 s ARG 80 Cb -0.22 -3.04 0.17 0.00 -2.04 0.00 0.00 34.95 29.81 1wg5 s ARG 80 CO 0.30 0.43 0.48 0.42 -0.04 0.00 0.00 175.30 176.89 1wg5 s ILE 81 N -1.38 3.71 0.00 4.99 1.01 -0.92 -4.78 121.20 123.82 1wg5 s ILE 81 Ca 0.43 -3.18 0.00 0.00 0.00 0.00 0.00 60.65 57.90 1wg5 s ILE 81 Cb -0.21 -3.40 0.00 0.00 0.01 0.00 0.00 42.46 38.85 1wg5 s ILE 81 CO 0.26 -0.91 0.00 0.61 0.00 0.00 0.00 174.94 174.90 1wg5 n GLY 82 N 3.22 2.62 1.79 6.18 0.00 -1.26 -4.29 105.19 113.45 1wg5 n GLY 82 Ca 0.10 -0.60 -0.01 0.00 0.00 0.00 0.00 46.02 45.51 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 -0.12 -3.15 1.61 1.44 -1.26 -5.12 115.22 108.62 1wg5 n HIS 83 Ca 0.00 -0.19 0.04 0.00 -2.01 0.00 0.00 57.72 55.56 1wg5 n HIS 83 Cb 0.00 0.71 -0.01 0.00 0.12 0.00 0.00 29.99 30.82 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 0.01 0.48 0.32 -1.40 1.81 -1.26 -5.06 118.95 113.84 1wg5 s ARG 84 Ca 0.01 0.75 -0.28 0.00 -1.72 0.00 0.00 55.73 54.49 1wg5 s ARG 84 Cb 0.02 0.41 -0.13 0.00 -0.45 0.00 0.00 34.95 34.80 1wg5 s ARG 84 CO -0.01 -0.62 1.10 0.66 -0.68 0.00 0.00 175.30 175.75 1wg5 n TYR 85 N 5.42 1.58 -4.53 -0.53 4.01 -1.26 -2.17 117.16 119.68 1wg5 n TYR 85 Ca -0.00 0.65 -0.33 0.00 -0.16 0.00 0.00 57.90 58.05 1wg5 n TYR 85 Cb 0.52 -2.30 -0.14 0.00 -0.31 0.00 0.00 39.34 37.11 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 -1.09 3.18 -0.33 -0.72 -1.09 0.07 -4.66 121.20 116.56 1wg5 s ILE 86 Ca 0.58 -0.60 -0.12 0.00 -2.23 0.00 0.00 60.65 58.27 1wg5 s ILE 86 Cb -0.65 -2.36 -0.02 0.00 -1.58 0.00 0.00 42.46 37.84 1wg5 s ILE 86 CO 0.61 0.50 0.23 -1.61 -1.23 0.00 0.00 174.94 173.43 1wg5 s GLU 87 N 0.62 3.59 -0.14 2.79 2.02 0.04 0.10 118.70 127.72 1wg5 s GLU 87 Ca -0.06 -0.57 -0.06 0.00 0.02 0.00 0.00 54.97 54.29 1wg5 s GLU 87 Cb -0.15 -3.77 -0.04 0.00 0.10 0.00 0.00 34.13 30.27 1wg5 s GLU 87 CO 0.03 -0.38 0.07 0.42 0.02 0.00 0.00 175.26 175.42 1wg5 s ILE 88 N 1.73 4.93 -0.05 -1.63 1.01 -1.26 -0.17 121.20 125.75 1wg5 s ILE 88 Ca 0.06 0.00 -0.02 0.00 0.00 0.00 0.00 60.65 60.69 1wg5 s ILE 88 Cb -0.17 -3.17 0.04 0.00 0.01 0.00 0.00 42.46 39.17 1wg5 s ILE 88 CO 0.11 0.54 0.09 -0.36 0.00 0.00 0.00 174.94 175.31 1wg5 s PHE 89 N -0.31 -0.01 0.06 3.97 0.08 0.10 -4.90 117.98 116.96 1wg5 s PHE 89 Ca 0.09 0.37 -0.30 0.00 0.12 0.00 0.00 56.93 57.20 1wg5 s PHE 89 Cb -0.12 -0.41 -0.16 0.00 -0.57 0.00 0.00 43.02 41.76 1wg5 s PHE 89 CO 0.01 -0.21 0.75 1.17 -0.10 0.00 0.00 175.22 176.84 1wg5 n LYS 90 N 5.29 0.00 -4.38 0.44 0.00 -1.26 -0.25 118.16 118.01 1wg5 n LYS 90 Ca -0.04 0.00 -0.19 0.00 0.00 0.00 0.00 58.31 58.08 1wg5 n LYS 90 Cb 0.50 -1.13 -0.10 0.00 0.00 0.00 0.00 35.03 34.30 1wg5 n LYS 90 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 1wg5 s SER 91 N -0.29 1.73 -0.01 3.14 0.15 0.54 -4.60 113.70 114.37 1wg5 s SER 91 Ca 0.69 -1.45 0.03 0.00 0.70 0.00 0.00 55.95 55.93 1wg5 s SER 91 Cb -0.98 0.18 -0.01 0.00 -1.71 0.00 0.00 66.02 63.50 1wg5 s SER 91 CO 0.48 -0.75 -0.10 -0.44 1.20 0.00 0.00 173.24 173.63 1wg5 s SER 92 N -3.40 1.21 0.47 5.45 0.01 -1.26 -3.15 113.70 113.03 1wg5 s SER 92 Ca 0.36 -0.20 0.30 0.00 1.31 0.00 0.00 55.95 57.71 1wg5 s SER 92 Cb 0.07 -0.13 1.38 0.00 0.21 0.00 0.00 66.02 67.55 1wg5 s SER 92 CO 0.15 0.12 1.72 -0.09 0.41 0.00 0.00 173.24 175.55 1wg5 h ARG 93 N 5.83 0.15 0.13 12.44 2.43 -1.91 0.23 114.38 133.68 1wg5 h ARG 93 Ca -0.32 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 58.84 1wg5 h ARG 93 Cb 1.18 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.69 1wg5 h ARG 93 CO 0.49 0.10 -0.06 0.00 -1.51 0.00 0.00 179.97 178.99 1wg5 h ALA 94 N 1.50 -0.17 -0.30 2.80 0.00 -1.96 -3.09 119.26 118.04 1wg5 h ALA 94 Ca 0.68 -0.11 -0.13 0.00 0.00 0.00 0.00 54.91 55.36 1wg5 h ALA 94 Cb 2.24 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 20.08 1wg5 h ALA 94 CO -0.22 -0.51 -0.35 1.05 0.00 0.00 0.00 179.25 179.22 1wg5 h GLU 95 N -0.33 0.67 -5.98 0.00 4.11 -1.11 -3.43 114.58 108.51 1wg5 h GLU 95 Ca -0.02 -0.32 -0.60 0.00 0.07 0.00 0.00 59.36 58.50 1wg5 h GLU 95 Cb 0.27 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.51 1wg5 h GLU 95 CO 0.03 0.92 1.49 0.28 0.07 0.00 0.00 179.01 181.79 1wg5 n VAL 96 N -4.06 0.31 -1.51 -1.06 0.31 0.39 -4.80 118.33 107.91 1wg5 n VAL 96 Ca -0.01 -0.44 -0.63 0.00 -0.01 0.00 0.00 64.34 63.25 1wg5 n VAL 96 Cb 0.49 -2.43 -0.11 0.00 -0.91 0.00 0.00 33.84 30.88 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 8.69 0.00 -2.52 5.55 1.74 -1.26 -4.83 116.66 124.04 1wg5 n ARG 97 Ca 0.32 0.00 -0.11 0.00 -0.77 0.00 0.00 57.85 57.29 1wg5 n ARG 97 Cb 0.42 -1.46 0.03 0.00 -1.02 0.00 0.00 32.46 30.43 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 4.88 1.75 -3.03 0.55 5.66 -1.26 -5.02 114.28 117.81 1wg5 n THR 98 Ca 0.40 -3.50 -0.00 0.00 -3.05 0.00 0.00 64.05 57.89 1wg5 n THR 98 Cb -0.05 0.25 -0.00 0.00 -1.55 0.00 0.00 70.33 68.98 1wg5 n THR 98 CO 0.00 0.00 0.00 -1.20 -3.05 0.00 0.00 175.07 170.82 1wg5 n SER 99 N -0.59 -6.93 -0.62 1.09 7.64 -1.26 -4.68 113.62 108.26 1wg5 n SER 99 Ca 0.22 0.77 0.08 0.00 1.01 0.00 0.00 58.87 60.95 1wg5 n SER 99 Cb 0.85 -2.82 -0.02 0.00 -1.01 0.00 0.00 64.21 61.21 1wg5 n SER 99 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wg5 n GLY 100 N 1.18 -2.10 3.64 0.23 0.00 -1.26 -4.73 105.19 102.14 1wg5 n GLY 100 Ca -0.01 -1.37 -0.43 0.00 0.00 0.00 0.00 46.02 44.21 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 -1.50 3.88 -0.32 1.61 0.04 -1.26 -4.93 135.00 132.51 1wg5 s PRO 101 Ca 0.00 1.73 -0.28 0.00 0.04 0.00 0.00 61.00 62.49 1wg5 s PRO 101 Cb 0.00 -4.01 -0.04 0.00 0.04 0.00 0.00 34.50 30.49 1wg5 s PRO 101 CO 0.00 -1.19 2.11 0.45 0.04 0.00 0.00 177.00 178.41 1wg5 s SER 102 N 3.93 5.38 -0.23 6.66 0.15 -1.26 -4.81 113.70 123.53 1wg5 s SER 102 Ca 0.70 1.49 -0.14 0.00 0.70 0.00 0.00 55.95 58.70 1wg5 s SER 102 Cb -0.26 -2.51 -0.09 0.00 -1.71 0.00 0.00 66.02 61.45 1wg5 s SER 102 CO 0.28 -2.08 -0.33 -1.20 1.20 0.00 0.00 173.24 171.11 1wg5 n SER 103 N 12.12 1.83 0.00 5.45 7.64 -1.26 -5.14 113.62 134.26 1wg5 n SER 103 Ca 0.28 0.31 0.00 0.00 1.01 0.00 0.00 58.87 60.48 1wg5 n SER 103 Cb 0.48 -0.74 0.00 0.00 -1.01 0.00 0.00 64.21 62.93 1wg5 n SER 103 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64