#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wg5 n SER 2 N 0.00 -8.19 0.03 1.61 7.64 -1.26 -5.05 113.62 108.40 1wg5 n SER 2 Ca 0.00 1.75 0.00 0.00 1.01 0.00 0.00 58.87 61.63 1wg5 n SER 2 Cb 0.00 -4.98 0.00 0.00 -1.01 0.00 0.00 64.21 58.22 1wg5 n SER 2 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1wg5 n SER 3 N -3.05 -0.58 -3.59 6.43 2.88 -1.26 -5.17 113.62 109.29 1wg5 n SER 3 Ca -0.02 0.54 -0.05 0.00 -1.33 0.00 0.00 58.87 58.01 1wg5 n SER 3 Cb 0.53 0.95 -0.02 0.00 -0.75 0.00 0.00 64.21 64.92 1wg5 n SER 3 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1wg5 s GLY 4 N -2.00 -0.33 0.00 0.46 0.00 -1.26 -5.08 107.32 99.12 1wg5 s GLY 4 Ca 0.00 1.42 0.00 0.00 0.00 0.00 0.00 44.72 46.14 1wg5 s GLY 4 CO 0.00 0.46 0.00 1.44 0.00 0.00 0.00 173.10 175.00 1wg5 n SER 5 N -0.15 0.00 -4.64 1.64 7.64 -1.26 -5.11 113.62 111.74 1wg5 n SER 5 Ca -0.02 0.00 -0.43 0.00 1.01 0.00 0.00 58.87 59.44 1wg5 n SER 5 Cb 0.59 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.77 1wg5 n SER 5 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1wg5 s SER 6 N 0.00 6.50 0.73 6.43 1.04 -1.26 -4.57 113.70 122.57 1wg5 s SER 6 Ca 0.00 1.80 0.00 0.00 0.48 0.00 0.00 55.95 58.23 1wg5 s SER 6 Cb 0.00 -2.53 0.00 0.00 0.10 0.00 0.00 66.02 63.59 1wg5 s SER 6 CO 0.00 -1.13 0.00 0.61 0.98 0.00 0.00 173.24 173.70 1wg5 n GLY 7 N 4.43 1.79 5.06 7.32 0.00 -1.26 -4.91 105.19 117.61 1wg5 n GLY 7 Ca 0.18 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 45.98 1wg5 n GLY 7 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1wg5 n ASN 8 N 9.18 0.00 -4.25 1.61 4.13 -1.26 -4.83 115.26 119.83 1wg5 n ASN 8 Ca 0.00 0.00 -0.42 0.00 1.68 0.00 0.00 54.58 55.84 1wg5 n ASN 8 Cb 0.00 0.00 -0.01 0.00 -1.54 0.00 0.00 39.78 38.23 1wg5 n ASN 8 CO 0.00 0.00 0.00 -1.20 0.28 0.00 0.00 177.26 176.34 1wg5 n SER 9 N 0.98 -2.55 -3.03 6.41 7.64 -1.26 -4.94 113.62 116.86 1wg5 n SER 9 Ca 0.00 0.85 -0.15 0.00 1.01 0.00 0.00 58.87 60.58 1wg5 n SER 9 Cb 0.00 -0.88 0.13 0.00 -1.01 0.00 0.00 64.21 62.45 1wg5 n SER 9 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 1wg5 n PRO 10 N 1.26 -2.10 -0.73 1.43 -0.04 -1.26 -4.94 135.00 128.62 1wg5 n PRO 10 Ca 0.12 -0.88 0.02 0.00 -0.04 0.00 0.00 63.50 62.72 1wg5 n PRO 10 Cb 0.37 -0.82 -0.01 0.00 -0.04 0.00 0.00 33.50 33.00 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 -3.94 -3.95 -0.20 3.54 2.03 -1.26 -4.63 116.55 108.14 1wg5 n ASP 11 Ca 0.08 0.85 0.15 0.00 0.52 0.00 0.00 54.79 56.39 1wg5 n ASP 11 Cb 0.30 -1.96 0.72 0.00 -0.72 0.00 0.00 41.12 39.45 1wg5 n ASP 11 CO 0.00 0.00 0.00 1.07 -1.92 0.00 0.00 177.20 176.35 1wg5 n THR 12 N -2.23 0.00 -3.64 5.18 5.66 -1.26 -4.86 114.28 113.14 1wg5 n THR 12 Ca -0.01 -0.10 -0.06 0.00 -3.05 0.00 0.00 64.05 60.83 1wg5 n THR 12 Cb 0.25 -0.05 -0.06 0.00 -1.55 0.00 0.00 70.33 68.92 1wg5 n THR 12 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1wg5 s ALA 13 N -2.10 -2.10 0.48 1.79 0.00 -1.26 -5.17 121.76 113.40 1wg5 s ALA 13 Ca 0.40 1.76 -0.06 0.00 0.00 0.00 0.00 51.96 54.06 1wg5 s ALA 13 Cb 0.21 -1.53 -0.04 0.00 0.00 0.00 0.00 23.12 21.76 1wg5 s ALA 13 CO 0.38 -0.18 0.80 -0.80 0.00 0.00 0.00 175.76 175.96 1wg5 s ASN 14 N -0.15 6.29 -0.00 0.00 0.01 -1.26 -5.01 114.94 114.82 1wg5 s ASN 14 Ca 0.05 0.99 0.07 0.00 -0.71 0.00 0.00 52.86 53.27 1wg5 s ASN 14 Cb -0.04 -2.27 -0.10 0.00 0.41 0.00 0.00 41.25 39.25 1wg5 s ASN 14 CO -0.10 -0.58 0.24 -0.67 -1.51 0.00 0.00 177.10 174.48 1wg5 n ASP 15 N -2.18 1.72 0.00 -1.22 -0.08 -1.26 -4.65 116.55 108.87 1wg5 n ASP 15 Ca 0.01 -0.36 0.00 0.00 -1.51 0.00 0.00 54.79 52.93 1wg5 n ASP 15 Cb 0.55 1.16 0.00 0.00 2.34 0.00 0.00 41.12 45.17 1wg5 n ASP 15 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1wg5 n GLY 16 N 1.59 1.15 3.76 0.27 0.00 -1.26 -3.50 105.19 107.21 1wg5 n GLY 16 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 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 2.75 0.01 1.61 0.08 -1.24 -2.97 117.98 116.22 1wg5 s PHE 17 Ca 0.00 1.46 0.00 0.00 0.12 0.00 0.00 56.93 58.51 1wg5 s PHE 17 Cb 0.00 -3.57 -0.01 0.00 -0.57 0.00 0.00 43.02 38.88 1wg5 s PHE 17 CO 0.00 -1.97 -0.02 0.14 -0.10 0.00 0.00 175.22 173.27 1wg5 s VAL 18 N -1.38 0.11 -0.04 -0.44 -7.23 0.86 -0.75 120.40 111.54 1wg5 s VAL 18 Ca 0.62 -0.27 -0.00 0.00 -1.81 0.00 0.00 61.98 60.52 1wg5 s VAL 18 Cb -0.34 -0.14 -0.04 0.00 0.56 0.00 0.00 36.38 36.42 1wg5 s VAL 18 CO 0.43 -0.10 0.03 -0.60 -0.31 0.00 0.00 175.10 174.54 1wg5 s ARG 19 N -0.39 2.95 0.10 4.82 3.52 0.55 -0.78 118.95 129.72 1wg5 s ARG 19 Ca -0.03 -0.49 0.09 0.00 -0.13 0.00 0.00 55.73 55.17 1wg5 s ARG 19 Cb -0.03 -2.78 -0.04 0.00 -1.56 0.00 0.00 34.95 30.54 1wg5 s ARG 19 CO -0.00 0.66 -0.21 -0.51 -0.81 0.00 0.00 175.30 174.43 1wg5 s LEU 20 N -1.35 2.54 -0.06 -0.88 1.43 0.16 0.02 118.68 120.53 1wg5 s LEU 20 Ca 0.18 -0.59 -0.03 0.00 -1.03 0.00 0.00 54.13 52.67 1wg5 s LEU 20 Cb -0.12 -1.43 0.04 0.00 0.03 0.00 0.00 46.19 44.71 1wg5 s LEU 20 CO 0.08 0.20 0.13 -0.13 0.23 0.00 0.00 176.35 176.86 1wg5 s ARG 21 N -1.91 0.04 0.00 1.70 0.52 0.11 -2.94 118.95 116.47 1wg5 s ARG 21 Ca 0.16 0.42 0.00 0.00 -0.52 0.00 0.00 55.73 55.79 1wg5 s ARG 21 Cb -0.10 -0.25 0.00 0.00 0.52 0.00 0.00 34.95 35.12 1wg5 s ARG 21 CO 0.07 -0.23 0.00 0.41 0.02 0.00 0.00 175.30 175.57 1wg5 n GLY 22 N 4.69 1.76 3.77 -3.53 0.00 -0.26 -0.66 105.19 110.95 1wg5 n GLY 22 Ca -0.17 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.46 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 4.15 1.10 0.99 1.43 -1.17 -4.56 118.68 120.62 1wg5 s LEU 23 Ca 0.00 2.55 -0.16 0.00 -1.03 0.00 0.00 54.13 55.49 1wg5 s LEU 23 Cb 0.00 -4.01 0.24 0.00 0.03 0.00 0.00 46.19 42.45 1wg5 s LEU 23 CO 0.00 -0.88 1.10 -2.16 0.23 0.00 0.00 176.35 174.64 1wg5 s PRO 24 N -2.37 -0.43 0.02 1.29 0.04 -1.26 -4.73 135.00 127.56 1wg5 s PRO 24 Ca 0.59 0.22 -0.30 0.00 0.04 0.00 0.00 61.00 61.54 1wg5 s PRO 24 Cb -0.35 -1.66 -0.06 0.00 0.04 0.00 0.00 34.50 32.46 1wg5 s PRO 24 CO 0.44 -3.24 1.43 -0.06 0.04 0.00 0.00 177.00 175.61 1wg5 s PHE 25 N -2.99 2.85 -0.13 0.56 0.08 -1.26 -2.46 117.98 114.64 1wg5 s PHE 25 Ca 0.68 0.77 0.00 0.00 0.12 0.00 0.00 56.93 58.50 1wg5 s PHE 25 Cb -0.14 -3.70 0.00 0.00 -0.57 0.00 0.00 43.02 38.60 1wg5 s PHE 25 CO 0.57 -2.62 0.00 0.41 -0.10 0.00 0.00 175.22 173.47 1wg5 n GLY 26 N 3.67 0.47 3.69 4.36 0.00 -1.26 -4.99 105.19 111.13 1wg5 n GLY 26 Ca 0.13 -1.03 -0.42 0.00 0.00 0.00 0.00 46.02 44.70 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 1.91 1.09 0.24 0.00 0.01 -1.26 -5.02 113.70 110.68 1wg5 s SER 28 Ca 0.67 -1.60 -0.05 0.00 1.31 0.00 0.00 55.95 56.28 1wg5 s SER 28 Cb -0.35 0.51 0.43 0.00 0.21 0.00 0.00 66.02 66.82 1wg5 s SER 28 CO 0.29 -1.01 1.73 0.11 0.41 0.00 0.00 173.24 174.77 1wg5 h LYS 29 N 2.29 0.43 -1.24 12.44 1.57 -1.98 0.91 116.57 130.99 1wg5 h LYS 29 Ca -0.29 -0.03 0.36 0.00 -1.87 0.00 0.00 60.65 58.83 1wg5 h LYS 29 Cb 1.24 -0.10 -0.08 0.00 0.08 0.00 0.00 32.23 33.37 1wg5 h LYS 29 CO 0.42 0.28 0.84 0.93 -0.57 0.00 0.00 179.45 181.35 1wg5 h GLU 30 N 0.44 0.15 0.00 3.15 4.39 -1.98 0.91 114.58 121.64 1wg5 h GLU 30 Ca 0.40 -0.01 -0.14 0.00 0.34 0.00 0.00 59.36 59.95 1wg5 h GLU 30 Cb 0.59 -0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 29.18 1wg5 h GLU 30 CO -0.39 0.10 -1.39 0.39 -1.16 0.00 0.00 179.01 176.56 1wg5 n GLU 31 N -4.43 0.62 0.07 2.33 1.02 0.22 -4.22 120.64 116.25 1wg5 n GLU 31 Ca 0.30 0.19 -0.04 0.00 -0.02 0.00 0.00 57.16 57.59 1wg5 n GLU 31 Cb 1.23 -1.80 -0.02 0.00 -0.02 0.00 0.00 31.44 30.83 1wg5 n GLU 31 CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 1wg5 h ILE 32 N 0.00 0.00 -0.80 -3.67 2.04 0.16 -2.14 117.51 113.10 1wg5 h ILE 32 Ca -0.14 -0.74 0.25 0.00 1.00 0.00 0.00 64.86 65.23 1wg5 h ILE 32 Cb 1.50 0.00 -0.15 0.00 -0.74 0.00 0.00 36.82 37.43 1wg5 h ILE 32 CO 0.04 0.00 0.13 0.52 0.00 0.00 0.00 178.15 178.84 1wg5 n VAL 33 N -4.76 -0.34 0.06 1.67 0.31 0.95 0.18 118.33 116.39 1wg5 n VAL 33 Ca -0.03 1.72 -0.21 0.00 -0.01 0.00 0.00 64.34 65.81 1wg5 n VAL 33 Cb 0.10 -2.58 -0.11 0.00 -0.91 0.00 0.00 33.84 30.34 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 0.68 0.00 5.55 1.08 -1.73 -3.16 115.11 117.53 1wg5 h GLN 34 Ca 0.54 -0.78 0.00 0.00 -1.45 0.00 0.00 58.65 56.95 1wg5 h GLN 34 Cb 1.22 0.23 0.00 0.00 -0.05 0.00 0.00 27.48 28.88 1wg5 h GLN 34 CO -0.71 1.35 0.30 0.35 -0.95 0.00 0.00 178.83 179.17 1wg5 h PHE 35 N 0.36 0.00 -0.49 2.96 3.57 0.26 0.35 116.94 123.94 1wg5 h PHE 35 Ca -0.15 0.00 -0.30 0.00 3.53 0.00 0.00 57.97 61.05 1wg5 h PHE 35 Cb 1.77 0.00 -0.19 0.00 2.79 0.00 0.00 35.95 40.33 1wg5 h PHE 35 CO 0.11 0.00 -0.13 1.19 -2.23 0.00 0.00 178.31 177.25 1wg5 n PHE 36 N -2.77 1.60 -1.40 0.41 3.72 -0.64 -5.06 117.46 113.32 1wg5 n PHE 36 Ca -0.02 -1.87 -0.43 0.00 -0.05 0.00 0.00 57.45 55.08 1wg5 n PHE 36 Cb 0.35 -0.56 -0.00 0.00 -0.94 0.00 0.00 39.48 38.32 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 -1.03 -1.55 0.00 4.37 3.41 0.12 -0.70 113.62 118.24 1wg5 n SER 37 Ca 0.38 0.93 0.00 0.00 -0.26 0.00 0.00 58.87 59.92 1wg5 n SER 37 Cb 0.99 -1.01 0.00 0.00 -0.26 0.00 0.00 64.21 63.93 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 1.99 2.96 3.88 5.00 0.00 -1.26 -4.99 105.19 112.77 1wg5 n GLY 38 Ca 0.12 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.79 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 4.39 -0.27 0.99 1.43 0.13 -5.08 118.68 120.26 1wg5 s LEU 39 Ca 0.00 0.60 -0.10 0.00 -1.03 0.00 0.00 54.13 53.60 1wg5 s LEU 39 Cb 0.00 -2.56 -0.05 0.00 0.03 0.00 0.00 46.19 43.62 1wg5 s LEU 39 CO 0.00 0.29 0.17 -0.70 0.23 0.00 0.00 176.35 176.34 1wg5 s GLU 40 N -1.54 3.92 0.13 1.70 2.12 -1.26 -4.98 118.70 118.78 1wg5 s GLU 40 Ca 0.25 -0.34 0.08 0.00 0.36 0.00 0.00 54.97 55.32 1wg5 s GLU 40 Cb -0.13 -3.59 -0.04 0.00 0.26 0.00 0.00 34.13 30.63 1wg5 s GLU 40 CO 0.13 -0.15 -0.11 0.42 -0.54 0.00 0.00 175.26 175.02 1wg5 s ILE 41 N 1.63 3.27 0.58 -3.70 1.01 -1.26 -2.21 121.20 120.52 1wg5 s ILE 41 Ca 0.07 -1.40 -0.17 0.00 0.00 0.00 0.00 60.65 59.15 1wg5 s ILE 41 Cb -0.16 -2.55 -0.04 0.00 0.01 0.00 0.00 42.46 39.73 1wg5 s ILE 41 CO 0.09 0.05 1.08 0.68 0.00 0.00 0.00 174.94 176.84 1wg5 s VAL 42 N -1.34 3.54 0.12 2.92 -7.23 -1.13 -4.81 120.40 112.47 1wg5 s VAL 42 Ca 0.22 0.80 -0.31 0.00 -1.81 0.00 0.00 61.98 60.88 1wg5 s VAL 42 Cb -0.10 -3.30 -0.08 0.00 0.56 0.00 0.00 36.38 33.45 1wg5 s VAL 42 CO 0.14 -0.36 1.36 -2.16 -0.31 0.00 0.00 175.10 173.76 1wg5 s PRO 43 N -3.80 4.34 -1.65 4.82 0.04 -1.26 -2.68 135.00 134.81 1wg5 s PRO 43 Ca 0.67 2.04 0.00 0.00 0.04 0.00 0.00 61.00 63.74 1wg5 s PRO 43 Cb -0.19 -3.25 0.00 0.00 0.04 0.00 0.00 34.50 31.10 1wg5 s PRO 43 CO 0.33 -0.39 0.00 0.09 0.04 0.00 0.00 177.00 177.07 1wg5 n ASN 44 N 3.77 -5.15 -2.26 6.66 4.13 -1.26 -4.88 115.26 116.27 1wg5 n ASN 44 Ca 0.10 0.16 -0.30 0.00 1.68 0.00 0.00 54.58 56.22 1wg5 n ASN 44 Cb 0.43 -4.22 0.11 0.00 -1.54 0.00 0.00 39.78 34.56 1wg5 n ASN 44 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1wg5 n GLY 45 N -0.93 5.31 2.99 7.41 0.00 -1.09 -4.90 105.19 113.97 1wg5 n GLY 45 Ca -0.20 -1.84 -0.21 0.00 0.00 0.00 0.00 46.02 43.77 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 -3.52 1.13 -0.10 1.61 -1.94 -1.26 -0.13 119.30 115.09 1wg5 s MET 46 Ca 0.60 -0.30 0.04 0.00 -1.71 0.00 0.00 55.69 54.31 1wg5 s MET 46 Cb 0.48 -1.02 0.00 0.00 2.01 0.00 0.00 34.83 36.30 1wg5 s MET 46 CO 0.03 0.07 -0.22 0.99 -0.01 0.00 0.00 175.02 175.88 1wg5 s THR 47 N 0.42 1.89 -0.37 2.05 2.01 0.05 -4.96 115.64 116.73 1wg5 s THR 47 Ca -0.07 -0.92 0.00 0.00 0.31 0.00 0.00 61.69 61.01 1wg5 s THR 47 Cb -0.11 -1.65 0.12 0.00 0.01 0.00 0.00 72.50 70.87 1wg5 s THR 47 CO 0.01 0.52 0.18 -0.76 -0.69 0.00 0.00 174.62 173.88 1wg5 s LEU 48 N 0.42 2.13 1.13 4.42 1.43 -1.26 -0.63 118.68 126.32 1wg5 s LEU 48 Ca -0.18 -2.13 -0.17 0.00 -1.03 0.00 0.00 54.13 50.63 1wg5 s LEU 48 Cb -0.17 -0.83 0.25 0.00 0.03 0.00 0.00 46.19 45.47 1wg5 s LEU 48 CO 0.08 -0.34 1.10 -2.16 0.23 0.00 0.00 176.35 175.26 1wg5 s PRO 49 N 1.02 -0.64 0.31 1.29 0.04 -1.26 -5.03 135.00 130.73 1wg5 s PRO 49 Ca 0.14 0.14 -0.04 0.00 0.04 0.00 0.00 61.00 61.29 1wg5 s PRO 49 Cb -0.21 -1.65 -0.00 0.00 0.04 0.00 0.00 34.50 32.68 1wg5 s PRO 49 CO -0.10 -3.37 0.43 0.14 0.04 0.00 0.00 177.00 174.14 1wg5 s VAL 50 N -2.99 0.00 0.00 -0.36 -7.23 -1.26 -3.81 120.40 104.75 1wg5 s VAL 50 Ca 0.69 -1.62 0.00 0.00 -1.81 0.00 0.00 61.98 59.24 1wg5 s VAL 50 Cb -0.13 -2.54 0.00 0.00 0.56 0.00 0.00 36.38 34.27 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 -1.11 -0.15 0.00 4.85 2.03 0.24 -4.50 116.55 117.92 1wg5 n ASP 51 Ca 0.01 -0.45 0.13 0.00 0.52 0.00 0.00 54.79 55.00 1wg5 n ASP 51 Cb 0.62 0.00 0.65 0.00 -0.72 0.00 0.00 41.12 41.67 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 -1.21 0.00 0.18 -0.67 -0.00 -1.26 -3.10 117.46 111.40 1wg5 n PHE 52 Ca 0.00 0.00 0.04 0.00 -0.00 0.00 0.00 57.45 57.49 1wg5 n PHE 52 Cb 0.00 -0.38 -0.06 0.00 -0.00 0.00 0.00 39.48 39.04 1wg5 n PHE 52 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 176.76 177.80 1wg5 n GLN 53 N -1.38 2.01 0.00 -4.13 6.02 -1.26 -5.00 117.38 113.65 1wg5 n GLN 53 Ca 0.10 -0.04 0.00 0.00 -0.01 0.00 0.00 57.00 57.05 1wg5 n GLN 53 Cb 0.26 -1.07 0.00 0.00 1.02 0.00 0.00 30.24 30.45 1wg5 n GLN 53 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1wg5 n GLY 54 N 1.64 1.45 3.67 1.08 0.00 -1.18 -5.10 105.19 106.76 1wg5 n GLY 54 Ca -0.00 0.00 -0.37 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 -0.06 4.15 -0.04 1.61 0.52 -1.26 -4.72 118.95 119.15 1wg5 s ARG 55 Ca 0.00 0.04 -0.39 0.00 -0.52 0.00 0.00 55.73 54.87 1wg5 s ARG 55 Cb 0.00 -3.53 -0.17 0.00 0.52 0.00 0.00 34.95 31.77 1wg5 s ARG 55 CO 0.00 0.02 1.38 -1.13 0.02 0.00 0.00 175.30 175.59 1wg5 n SER 56 N 4.33 1.44 -0.21 0.23 3.41 -1.26 -0.59 113.62 120.97 1wg5 n SER 56 Ca -0.11 1.12 0.08 0.00 -0.26 0.00 0.00 58.87 59.71 1wg5 n SER 56 Cb 0.51 -1.11 0.41 0.00 -0.26 0.00 0.00 64.21 63.76 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 2.81 0.09 -1.58 6.66 -2.24 -1.25 -4.82 114.28 113.95 1wg5 n THR 57 Ca 0.21 -0.13 -0.07 0.00 -2.27 0.00 0.00 64.05 61.79 1wg5 n THR 57 Cb 0.14 -0.02 -0.02 0.00 -2.10 0.00 0.00 70.33 68.33 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 0.88 0.57 3.19 3.38 0.00 -1.26 -4.88 105.19 107.07 1wg5 n GLY 58 Ca 0.13 -0.69 -0.16 0.00 0.00 0.00 0.00 46.02 45.29 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 -3.29 0.89 0.04 1.61 2.02 -1.26 -1.11 118.70 117.60 1wg5 s GLU 59 Ca 0.00 -1.14 -0.27 0.00 0.02 0.00 0.00 54.97 53.58 1wg5 s GLU 59 Cb 0.00 -0.71 0.08 0.00 0.10 0.00 0.00 34.13 33.60 1wg5 s GLU 59 CO 0.00 0.13 0.69 0.00 0.02 0.00 0.00 175.26 176.10 1wg5 s ALA 60 N -2.09 -1.71 -0.19 5.21 0.00 -1.15 -4.18 121.76 117.65 1wg5 s ALA 60 Ca 0.05 0.94 -0.00 0.00 0.00 0.00 0.00 51.96 52.95 1wg5 s ALA 60 Cb -0.05 0.39 0.05 0.00 0.00 0.00 0.00 23.12 23.50 1wg5 s ALA 60 CO 0.01 -0.57 -0.05 -0.06 0.00 0.00 0.00 175.76 175.09 1wg5 s PHE 61 N -2.51 1.92 -0.08 0.00 0.08 0.20 -0.67 117.98 116.93 1wg5 s PHE 61 Ca -0.03 -1.33 -0.04 0.00 0.12 0.00 0.00 56.93 55.65 1wg5 s PHE 61 Cb -0.01 -1.40 -0.04 0.00 -0.57 0.00 0.00 43.02 41.01 1wg5 s PHE 61 CO -0.03 -0.68 0.09 0.08 -0.10 0.00 0.00 175.22 174.58 1wg5 s VAL 62 N 1.56 4.97 -0.34 -0.44 1.01 0.04 -0.77 120.40 126.43 1wg5 s VAL 62 Ca -0.02 -0.08 -0.01 0.00 0.00 0.00 0.00 61.98 61.87 1wg5 s VAL 62 Cb -0.17 -3.17 0.08 0.00 0.00 0.00 0.00 36.38 33.12 1wg5 s VAL 62 CO -0.07 0.55 0.07 -1.58 0.00 0.00 0.00 175.10 174.06 1wg5 s GLN 63 N -1.18 2.12 0.69 2.72 0.74 0.82 -0.10 119.66 125.48 1wg5 s GLN 63 Ca 0.17 -1.56 -0.11 0.00 0.05 0.00 0.00 55.36 53.91 1wg5 s GLN 63 Cb -0.12 -3.30 0.01 0.00 1.10 0.00 0.00 33.01 30.70 1wg5 s GLN 63 CO 0.06 -0.82 1.06 -0.06 -0.55 0.00 0.00 175.29 174.98 1wg5 s PHE 64 N 1.15 3.11 0.49 1.67 0.08 -1.16 -2.86 117.98 120.46 1wg5 s PHE 64 Ca 0.02 1.42 0.27 0.00 0.12 0.00 0.00 56.93 58.76 1wg5 s PHE 64 Cb -0.21 -2.89 1.34 0.00 -0.57 0.00 0.00 43.02 40.70 1wg5 s PHE 64 CO -0.04 -1.23 1.87 0.00 -0.10 0.00 0.00 175.22 175.73 1wg5 h ALA 65 N -0.68 2.62 -2.43 5.36 0.00 -1.69 -3.42 119.26 119.03 1wg5 h ALA 65 Ca -0.44 -0.01 0.16 0.00 0.00 0.00 0.00 54.91 54.62 1wg5 h ALA 65 Cb 1.21 0.04 -0.07 0.00 0.00 0.00 0.00 17.79 18.97 1wg5 h ALA 65 CO 0.57 -0.89 0.49 0.45 0.00 0.00 0.00 179.25 179.87 1wg5 s SER 66 N -5.61 -0.13 0.11 0.00 0.15 -1.23 -4.97 113.70 102.02 1wg5 s SER 66 Ca -0.06 -0.50 -0.21 0.00 0.70 0.00 0.00 55.95 55.87 1wg5 s SER 66 Cb 0.22 0.52 -0.10 0.00 -1.71 0.00 0.00 66.02 64.94 1wg5 s SER 66 CO 0.78 -0.97 1.75 -0.61 1.20 0.00 0.00 173.24 175.38 1wg5 h GLN 67 N 2.00 0.15 -1.23 5.44 -0.00 -1.83 -1.77 115.11 117.87 1wg5 h GLN 67 Ca -0.25 -0.01 0.36 0.00 -0.00 0.00 0.00 58.65 58.75 1wg5 h GLN 67 Cb 1.23 -0.03 -0.09 0.00 0.00 0.00 0.00 27.48 28.58 1wg5 h GLN 67 CO 0.28 0.11 0.82 1.05 0.00 0.00 0.00 178.83 181.10 1wg5 h GLU 68 N 0.14 0.17 0.09 1.69 4.11 -1.97 0.63 114.58 119.45 1wg5 h GLU 68 Ca 0.04 -0.01 -0.28 0.00 0.07 0.00 0.00 59.36 59.18 1wg5 h GLU 68 Cb -0.00 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.20 1wg5 h GLU 68 CO -0.01 0.11 -1.35 0.82 0.07 0.00 0.00 179.01 178.66 1wg5 h ILE 69 N 0.18 1.35 -0.01 -1.06 2.04 -1.80 -3.33 117.51 114.88 1wg5 h ILE 69 Ca 0.68 -3.00 0.01 0.00 1.00 0.00 0.00 64.86 63.56 1wg5 h ILE 69 Cb 2.18 2.82 -0.02 0.00 -0.74 0.00 0.00 36.82 41.06 1wg5 h ILE 69 CO -0.25 0.85 -0.06 0.00 0.00 0.00 0.00 178.15 178.69 1wg5 h ALA 70 N 0.65 -0.05 -0.53 1.87 0.00 0.11 -2.75 119.26 118.56 1wg5 h ALA 70 Ca -0.17 0.01 0.11 0.00 0.00 0.00 0.00 54.91 54.86 1wg5 h ALA 70 Cb 1.96 0.11 -0.09 0.00 0.00 0.00 0.00 17.79 19.76 1wg5 h ALA 70 CO 0.16 -0.55 -0.04 0.93 0.00 0.00 0.00 179.25 179.75 1wg5 h GLU 71 N -0.10 0.07 -0.91 0.00 5.08 -1.45 0.20 114.58 117.47 1wg5 h GLU 71 Ca 0.03 -0.00 0.22 0.00 -1.00 0.00 0.00 59.36 58.60 1wg5 h GLU 71 Cb 0.14 -0.02 -0.06 0.00 0.50 0.00 0.00 28.75 29.31 1wg5 h GLU 71 CO -0.07 0.05 0.61 0.87 -1.00 0.00 0.00 179.01 179.46 1wg5 h LYS 72 N 0.08 0.31 0.03 2.33 1.57 -1.60 0.20 116.57 119.49 1wg5 h LYS 72 Ca 0.27 -0.02 -0.23 0.00 -1.87 0.00 0.00 60.65 58.80 1wg5 h LYS 72 Cb 0.41 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.63 1wg5 h LYS 72 CO -0.48 0.21 -1.07 0.00 -0.57 0.00 0.00 179.45 177.54 1wg5 h ALA 73 N 1.60 0.31 -0.67 3.86 0.00 -0.53 -3.31 119.26 120.52 1wg5 h ALA 73 Ca 0.47 -0.92 0.09 0.00 0.00 0.00 0.00 54.91 54.55 1wg5 h ALA 73 Cb 1.30 -0.11 -0.07 0.00 0.00 0.00 0.00 17.79 18.91 1wg5 h ALA 73 CO -0.15 1.20 0.30 -0.07 0.00 0.00 0.00 179.25 180.53 1wg5 h LEU 74 N 0.02 0.36 -1.89 0.00 3.38 0.10 0.25 115.31 117.53 1wg5 h LEU 74 Ca -0.04 0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1wg5 h LEU 74 Cb 1.82 0.01 0.00 0.00 0.09 0.00 0.00 40.66 42.58 1wg5 h LEU 74 CO 0.14 0.21 0.05 0.11 0.09 0.00 0.00 178.44 179.04 1wg5 h LYS 75 N 0.52 0.00 -1.27 1.13 1.79 -1.60 -1.92 116.57 115.22 1wg5 h LYS 75 Ca 0.33 0.00 -0.20 0.00 -2.18 0.00 0.00 60.65 58.61 1wg5 h LYS 75 Cb 0.38 0.00 -0.10 0.00 -1.58 0.00 0.00 32.23 30.92 1wg5 h LYS 75 CO -0.28 0.00 0.25 1.63 -1.08 0.00 0.00 179.45 179.97 1wg5 n LYS 76 N -2.53 1.48 -2.31 3.15 5.02 0.89 -4.92 118.16 118.94 1wg5 n LYS 76 Ca -0.02 -1.05 -0.32 0.00 -2.02 0.00 0.00 58.31 54.90 1wg5 n LYS 76 Cb 0.10 -1.41 -0.02 0.00 -0.02 0.00 0.00 35.03 33.68 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 -1.18 3.28 0.00 2.13 2.46 -0.72 -3.34 115.29 117.92 1wg5 s HIS 77 Ca 0.20 1.49 0.00 0.00 0.47 0.00 0.00 55.06 57.22 1wg5 s HIS 77 Cb 0.16 -2.87 0.00 0.00 -0.13 0.00 0.00 32.58 29.74 1wg5 s HIS 77 CO 0.02 -0.62 0.00 1.63 -2.47 0.00 0.00 174.74 173.30 1wg5 n LYS 78 N -1.66 -0.64 -2.08 2.88 4.76 0.35 -4.92 118.16 116.85 1wg5 n LYS 78 Ca 0.07 0.16 -0.43 0.00 -2.87 0.00 0.00 58.31 55.25 1wg5 n LYS 78 Cb 0.54 -4.08 -0.03 0.00 -1.84 0.00 0.00 35.03 29.62 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 -0.99 3.69 0.28 1.97 0.41 -0.99 -3.82 118.70 119.25 1wg5 s GLU 79 Ca 0.00 1.62 -0.27 0.00 -0.41 0.00 0.00 54.97 55.92 1wg5 s GLU 79 Cb 0.00 -4.08 -0.09 0.00 -1.78 0.00 0.00 34.13 28.18 1wg5 s GLU 79 CO 0.00 -1.42 0.92 -0.98 -0.49 0.00 0.00 175.26 173.29 1wg5 s ARG 80 N 4.90 4.64 -0.66 1.61 1.04 -1.26 -1.05 118.95 128.17 1wg5 s ARG 80 Ca 0.74 1.33 -0.02 0.00 -1.04 0.00 0.00 55.73 56.74 1wg5 s ARG 80 Cb -0.25 -2.97 0.17 0.00 -2.04 0.00 0.00 34.95 29.87 1wg5 s ARG 80 CO 0.31 0.37 0.47 0.42 -0.04 0.00 0.00 175.30 176.83 1wg5 s ILE 81 N -1.46 3.63 0.00 4.99 1.01 -0.88 -4.80 121.20 123.69 1wg5 s ILE 81 Ca 0.46 -3.21 0.00 0.00 0.00 0.00 0.00 60.65 57.90 1wg5 s ILE 81 Cb -0.21 -3.36 0.00 0.00 0.01 0.00 0.00 42.46 38.90 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 3.19 2.48 2.27 6.18 0.00 -1.26 -4.29 105.19 113.76 1wg5 n GLY 82 Ca 0.10 -0.52 -0.02 0.00 0.00 0.00 0.00 46.02 45.58 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 -0.34 -3.15 1.61 1.44 -1.26 -5.12 115.22 108.40 1wg5 n HIS 83 Ca 0.00 -0.53 0.05 0.00 -2.01 0.00 0.00 57.72 55.23 1wg5 n HIS 83 Cb 0.00 0.99 -0.01 0.00 0.12 0.00 0.00 29.99 31.09 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 0.03 0.34 0.34 -1.40 1.81 -1.26 -5.06 118.95 113.75 1wg5 s ARG 84 Ca 0.02 0.58 -0.27 0.00 -1.72 0.00 0.00 55.73 54.34 1wg5 s ARG 84 Cb 0.06 0.32 -0.12 0.00 -0.45 0.00 0.00 34.95 34.75 1wg5 s ARG 84 CO -0.02 -0.41 1.18 0.66 -0.68 0.00 0.00 175.30 176.03 1wg5 n TYR 85 N 5.43 1.85 -4.61 -0.53 4.01 -1.26 -2.07 117.16 119.98 1wg5 n TYR 85 Ca -0.03 0.60 -0.33 0.00 -0.16 0.00 0.00 57.90 57.97 1wg5 n TYR 85 Cb 0.53 -2.34 -0.14 0.00 -0.31 0.00 0.00 39.34 37.08 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 -1.11 3.23 -0.35 -0.72 -1.09 -0.22 -4.67 121.20 116.27 1wg5 s ILE 86 Ca 0.57 -0.59 -0.13 0.00 -2.23 0.00 0.00 60.65 58.28 1wg5 s ILE 86 Cb -0.60 -2.38 -0.01 0.00 -1.58 0.00 0.00 42.46 37.89 1wg5 s ILE 86 CO 0.61 0.51 0.24 -1.61 -1.23 0.00 0.00 174.94 173.45 1wg5 s GLU 87 N 0.47 3.39 -0.14 2.79 2.02 0.17 0.13 118.70 127.53 1wg5 s GLU 87 Ca -0.08 -0.71 -0.07 0.00 0.02 0.00 0.00 54.97 54.13 1wg5 s GLU 87 Cb -0.15 -3.79 -0.04 0.00 0.10 0.00 0.00 34.13 30.24 1wg5 s GLU 87 CO 0.04 -0.49 0.10 0.42 0.02 0.00 0.00 175.26 175.35 1wg5 s ILE 88 N 1.70 5.13 -0.04 -1.63 1.01 -1.26 0.06 121.20 126.17 1wg5 s ILE 88 Ca 0.06 0.07 -0.02 0.00 0.00 0.00 0.00 60.65 60.76 1wg5 s ILE 88 Cb -0.18 -3.25 0.03 0.00 0.01 0.00 0.00 42.46 39.07 1wg5 s ILE 88 CO 0.10 0.56 0.06 -0.36 0.00 0.00 0.00 174.94 175.30 1wg5 s PHE 89 N -0.53 0.04 0.06 3.97 0.08 0.10 -4.90 117.98 116.80 1wg5 s PHE 89 Ca 0.11 0.26 -0.38 0.00 0.12 0.00 0.00 56.93 57.04 1wg5 s PHE 89 Cb -0.12 -0.41 -0.18 0.00 -0.57 0.00 0.00 43.02 41.74 1wg5 s PHE 89 CO 0.02 -0.17 1.21 1.17 -0.10 0.00 0.00 175.22 177.34 1wg5 n LYS 90 N 5.07 0.65 -2.53 0.44 0.00 -1.26 -0.33 118.16 120.20 1wg5 n LYS 90 Ca -0.08 0.24 -0.05 0.00 0.00 0.00 0.00 58.31 58.41 1wg5 n LYS 90 Cb 0.50 -1.80 -0.02 0.00 0.00 0.00 0.00 35.03 33.71 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 2.06 0.37 -4.14 3.14 2.88 0.07 -4.72 113.62 113.29 1wg5 n SER 91 Ca 0.19 -1.50 -0.09 0.00 -1.33 0.00 0.00 58.87 56.14 1wg5 n SER 91 Cb 0.15 0.31 -0.10 0.00 -0.75 0.00 0.00 64.21 63.82 1wg5 n SER 91 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1wg5 s SER 92 N -1.55 0.37 0.18 -3.46 0.01 -1.26 -3.69 113.70 104.30 1wg5 s SER 92 Ca 0.07 -1.18 -0.13 0.00 1.31 0.00 0.00 55.95 56.02 1wg5 s SER 92 Cb 0.00 0.27 0.12 0.00 0.21 0.00 0.00 66.02 66.63 1wg5 s SER 92 CO 0.05 -0.70 1.81 -0.09 0.41 0.00 0.00 173.24 174.71 1wg5 h ARG 93 N 2.90 0.58 -0.54 12.44 9.65 -1.96 -2.48 114.38 134.96 1wg5 h ARG 93 Ca -0.35 -0.03 0.06 0.00 -1.10 0.00 0.00 59.98 58.55 1wg5 h ARG 93 Cb 1.19 -0.13 -0.05 0.00 -1.39 0.00 0.00 29.97 29.59 1wg5 h ARG 93 CO 0.60 0.38 0.25 0.00 2.80 0.00 0.00 179.97 184.01 1wg5 h ALA 94 N 1.25 0.69 -0.36 2.80 0.00 -2.02 -2.84 119.26 118.80 1wg5 h ALA 94 Ca 0.22 0.04 0.06 0.00 0.00 0.00 0.00 54.91 55.22 1wg5 h ALA 94 Cb 0.06 -0.04 -0.08 0.00 0.00 0.00 0.00 17.79 17.73 1wg5 h ALA 94 CO -0.12 -0.11 -0.50 0.93 0.00 0.00 0.00 179.25 179.45 1wg5 h GLU 95 N 0.48 -0.39 -5.39 0.00 5.08 -1.86 -3.40 114.58 109.11 1wg5 h GLU 95 Ca 0.25 0.03 -0.67 0.00 -1.00 0.00 0.00 59.36 57.96 1wg5 h GLU 95 Cb 0.20 0.09 -0.04 0.00 0.50 0.00 0.00 28.75 29.49 1wg5 h GLU 95 CO -0.20 -0.26 1.27 0.28 -1.00 0.00 0.00 179.01 179.11 1wg5 n VAL 96 N -5.41 0.00 -2.18 3.13 0.31 -1.07 -4.89 118.33 108.22 1wg5 n VAL 96 Ca -0.03 0.00 -0.27 0.00 -0.01 0.00 0.00 64.34 64.04 1wg5 n VAL 96 Cb 0.35 -0.46 0.10 0.00 -0.91 0.00 0.00 33.84 32.93 1wg5 n VAL 96 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1wg5 s ARG 97 N 5.90 1.76 0.00 5.55 1.70 -1.26 -5.03 118.95 127.56 1wg5 s ARG 97 Ca 1.12 -0.39 0.00 0.00 -0.47 0.00 0.00 55.73 55.99 1wg5 s ARG 97 Cb -1.35 -2.11 0.00 0.00 -0.57 0.00 0.00 34.95 30.93 1wg5 s ARG 97 CO 0.59 -1.56 0.00 0.25 -1.08 0.00 0.00 175.30 173.50 1wg5 n THR 98 N -3.13 0.00 -0.27 4.99 -2.24 -1.26 -4.90 114.28 107.48 1wg5 n THR 98 Ca 0.11 0.00 -0.08 0.00 -2.27 0.00 0.00 64.05 61.81 1wg5 n THR 98 Cb 0.60 -0.17 -0.07 0.00 -2.10 0.00 0.00 70.33 68.60 1wg5 n THR 98 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 1wg5 h SER 99 N 0.00 -1.46 -5.00 3.42 0.02 -2.02 -3.48 113.55 105.04 1wg5 h SER 99 Ca 0.00 0.22 0.00 0.00 -0.84 0.00 0.00 61.79 61.17 1wg5 h SER 99 Cb 0.21 0.64 0.00 0.00 0.14 0.00 0.00 62.40 63.39 1wg5 h SER 99 CO 0.00 -0.17 0.00 0.61 -1.14 0.00 0.00 176.83 176.13 1wg5 n GLY 100 N -1.18 -2.16 3.60 -3.77 0.00 -1.26 -4.92 105.19 95.49 1wg5 n GLY 100 Ca 0.01 -2.13 -0.43 0.00 0.00 0.00 0.00 46.02 43.48 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 -0.39 3.34 0.32 1.61 0.04 -1.26 -5.00 135.00 133.65 1wg5 s PRO 101 Ca 0.00 1.25 0.06 0.00 0.04 0.00 0.00 61.00 62.35 1wg5 s PRO 101 Cb 0.00 -4.17 -0.01 0.00 0.04 0.00 0.00 34.50 30.36 1wg5 s PRO 101 CO 0.00 -1.86 0.45 0.45 0.04 0.00 0.00 177.00 176.08 1wg5 s SER 102 N 5.73 6.02 0.57 6.66 0.15 -1.26 -4.77 113.70 126.79 1wg5 s SER 102 Ca 0.74 -0.15 0.00 0.00 0.70 0.00 0.00 55.95 57.25 1wg5 s SER 102 Cb -0.20 -1.33 0.00 0.00 -1.71 0.00 0.00 66.02 62.78 1wg5 s SER 102 CO 0.32 -0.37 0.00 -1.20 1.20 0.00 0.00 173.24 173.20 1wg5 n SER 103 N -1.60 -7.57 0.00 5.45 7.64 -1.26 -5.13 113.62 111.16 1wg5 n SER 103 Ca -0.02 1.30 0.00 0.00 1.01 0.00 0.00 58.87 61.17 1wg5 n SER 103 Cb 0.58 -4.77 0.00 0.00 -1.01 0.00 0.00 64.21 59.01 1wg5 n SER 103 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64