#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 6.65 -0.14 1.61 0.15 -1.26 -5.08 113.70 115.62 1wg5 s SER 2 Ca 0.00 0.77 -0.10 0.00 0.70 0.00 0.00 55.95 57.32 1wg5 s SER 2 Cb 0.00 -2.20 0.05 0.00 -1.71 0.00 0.00 66.02 62.16 1wg5 s SER 2 CO 0.00 0.30 0.36 -0.44 1.20 0.00 0.00 173.24 174.66 1wg5 s SER 3 N -0.77 -0.41 0.00 5.45 0.01 -1.26 -5.15 113.70 111.57 1wg5 s SER 3 Ca 0.21 0.76 0.00 0.00 1.31 0.00 0.00 55.95 58.22 1wg5 s SER 3 Cb -0.15 0.70 0.00 0.00 0.21 0.00 0.00 66.02 66.78 1wg5 s SER 3 CO 0.10 -0.16 0.00 0.61 0.41 0.00 0.00 173.24 174.20 1wg5 n GLY 4 N 3.56 1.96 3.13 3.44 0.00 -1.26 -5.19 105.19 110.83 1wg5 n GLY 4 Ca -0.18 0.11 -0.08 0.00 0.00 0.00 0.00 46.02 45.87 1wg5 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wg5 s SER 5 N 0.00 0.37 0.20 1.61 0.01 -1.26 -4.70 113.70 109.93 1wg5 s SER 5 Ca 0.00 -1.07 0.05 0.00 1.31 0.00 0.00 55.95 56.24 1wg5 s SER 5 Cb 0.00 0.26 -0.04 0.00 0.21 0.00 0.00 66.02 66.46 1wg5 s SER 5 CO 0.00 -0.68 0.22 -0.55 0.41 0.00 0.00 173.24 172.64 1wg5 s SER 6 N -2.98 5.80 -0.67 2.44 0.15 -1.26 -4.61 113.70 112.58 1wg5 s SER 6 Ca 0.15 -0.09 -0.03 0.00 0.70 0.00 0.00 55.95 56.69 1wg5 s SER 6 Cb 0.07 -1.58 0.00 0.00 -1.71 0.00 0.00 66.02 62.81 1wg5 s SER 6 CO -0.04 0.01 0.57 0.61 1.20 0.00 0.00 173.24 175.59 1wg5 n GLY 7 N -0.85 0.13 3.55 9.45 0.00 -1.26 -4.87 105.19 111.34 1wg5 n GLY 7 Ca -0.08 -0.19 -0.24 0.00 0.00 0.00 0.00 46.02 45.50 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 -1.27 1.85 -3.70 1.61 4.13 -1.26 -4.86 115.26 111.75 1wg5 n ASN 8 Ca -0.05 -0.98 -0.14 0.00 1.68 0.00 0.00 54.58 55.09 1wg5 n ASN 8 Cb 0.55 -1.56 -0.08 0.00 -1.54 0.00 0.00 39.78 37.14 1wg5 n ASN 8 CO 0.00 0.00 0.00 -0.94 0.28 0.00 0.00 177.26 176.60 1wg5 s SER 9 N 11.02 -0.35 0.29 6.41 1.04 -1.26 -5.05 113.70 125.80 1wg5 s SER 9 Ca 0.98 0.41 0.07 0.00 0.48 0.00 0.00 55.95 57.90 1wg5 s SER 9 Cb -0.22 0.51 0.43 0.00 0.10 0.00 0.00 66.02 66.84 1wg5 s SER 9 CO 0.19 -0.41 1.67 1.55 0.98 0.00 0.00 173.24 177.23 1wg5 h PRO 10 N 4.09 0.18 0.00 4.02 0.13 -2.05 -3.45 132.00 134.93 1wg5 h PRO 10 Ca -0.28 -0.10 -0.24 0.00 -0.87 0.00 0.00 66.00 64.50 1wg5 h PRO 10 Cb 1.17 0.00 0.14 0.00 0.13 0.00 0.00 31.00 32.45 1wg5 h PRO 10 CO 0.35 0.62 -0.12 -0.25 -0.23 0.00 0.00 178.00 178.38 1wg5 n ASP 11 N -3.98 -3.41 -4.00 1.44 8.00 -1.26 -4.99 116.55 108.34 1wg5 n ASP 11 Ca -0.02 -0.59 -0.31 0.00 0.71 0.00 0.00 54.79 54.59 1wg5 n ASP 11 Cb 0.52 -0.76 -0.15 0.00 -0.02 0.00 0.00 41.12 40.70 1wg5 n ASP 11 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1wg5 s THR 12 N -1.89 1.94 0.00 -3.53 -4.23 -1.26 -4.91 115.64 101.76 1wg5 s THR 12 Ca 0.45 -1.66 0.00 0.00 -1.18 0.00 0.00 61.69 59.29 1wg5 s THR 12 Cb -0.08 -2.20 0.00 0.00 1.34 0.00 0.00 72.50 71.56 1wg5 s THR 12 CO 0.38 -0.21 0.00 0.00 -0.54 0.00 0.00 174.62 174.24 1wg5 n ALA 13 N 4.48 2.66 -1.32 3.99 0.00 -1.26 -5.09 120.51 123.96 1wg5 n ALA 13 Ca -0.09 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 52.95 1wg5 n ALA 13 Cb 0.43 0.18 0.01 0.00 0.00 0.00 0.00 19.45 20.06 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 -2.39 -2.71 -0.03 0.00 3.02 -1.26 -4.92 115.26 106.97 1wg5 n ASN 14 Ca 0.00 0.74 0.02 0.00 -0.03 0.00 0.00 54.58 55.31 1wg5 n ASN 14 Cb 0.18 -0.94 -0.10 0.00 -0.61 0.00 0.00 39.78 38.31 1wg5 n ASN 14 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 1wg5 n ASP 15 N 2.00 2.06 0.00 6.41 2.03 -1.26 -4.64 116.55 123.15 1wg5 n ASP 15 Ca 0.10 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.41 1wg5 n ASP 15 Cb 0.44 1.30 0.00 0.00 -0.72 0.00 0.00 41.12 42.14 1wg5 n ASP 15 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1wg5 n GLY 16 N 1.95 1.80 3.75 0.27 0.00 -1.26 -3.36 105.19 108.34 1wg5 n GLY 16 Ca -0.09 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.53 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 3.97 0.06 1.61 0.08 -1.24 -1.65 117.98 118.81 1wg5 s PHE 17 Ca 0.00 1.89 0.04 0.00 0.12 0.00 0.00 56.93 58.98 1wg5 s PHE 17 Cb 0.00 -2.97 -0.03 0.00 -0.57 0.00 0.00 43.02 39.45 1wg5 s PHE 17 CO 0.00 0.44 -0.12 0.14 -0.10 0.00 0.00 175.22 175.59 1wg5 s VAL 18 N -1.08 0.88 -0.03 -0.44 -7.23 0.95 -0.38 120.40 113.07 1wg5 s VAL 18 Ca 0.41 -1.21 0.04 0.00 -1.81 0.00 0.00 61.98 59.41 1wg5 s VAL 18 Cb -0.26 -0.88 -0.03 0.00 0.56 0.00 0.00 36.38 35.78 1wg5 s VAL 18 CO 0.31 -0.29 -0.14 -0.60 -0.31 0.00 0.00 175.10 174.08 1wg5 s ARG 19 N -1.66 2.47 0.05 4.82 3.52 -0.08 -0.96 118.95 127.10 1wg5 s ARG 19 Ca -0.05 -0.72 0.07 0.00 -0.13 0.00 0.00 55.73 54.90 1wg5 s ARG 19 Cb -0.10 -2.38 -0.03 0.00 -1.56 0.00 0.00 34.95 30.88 1wg5 s ARG 19 CO 0.01 0.61 -0.17 -0.51 -0.81 0.00 0.00 175.30 174.44 1wg5 s LEU 20 N -0.88 2.67 -0.03 -0.88 1.43 -0.25 -0.26 118.68 120.48 1wg5 s LEU 20 Ca 0.12 -0.43 -0.01 0.00 -1.03 0.00 0.00 54.13 52.78 1wg5 s LEU 20 Cb -0.11 -1.55 0.03 0.00 0.03 0.00 0.00 46.19 44.59 1wg5 s LEU 20 CO 0.02 0.24 0.04 -0.13 0.23 0.00 0.00 176.35 176.75 1wg5 s ARG 21 N -1.58 -0.03 0.00 1.70 0.52 0.13 -2.87 118.95 116.81 1wg5 s ARG 21 Ca 0.16 0.27 0.00 0.00 -0.52 0.00 0.00 55.73 55.63 1wg5 s ARG 21 Cb -0.11 -0.39 0.00 0.00 0.52 0.00 0.00 34.95 34.97 1wg5 s ARG 21 CO 0.06 -0.24 0.00 0.41 0.02 0.00 0.00 175.30 175.55 1wg5 n GLY 22 N 4.71 1.73 3.76 -3.53 0.00 -0.33 -0.28 105.19 111.25 1wg5 n GLY 22 Ca -0.16 -0.02 -0.39 0.00 0.00 0.00 0.00 46.02 45.45 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 -0.01 4.08 1.01 0.99 1.43 -1.04 -4.52 118.68 120.63 1wg5 s LEU 23 Ca 0.00 2.61 -0.13 0.00 -1.03 0.00 0.00 54.13 55.59 1wg5 s LEU 23 Cb 0.00 -4.06 0.20 0.00 0.03 0.00 0.00 46.19 42.35 1wg5 s LEU 23 CO 0.00 -1.04 1.09 -2.16 0.23 0.00 0.00 176.35 174.47 1wg5 s PRO 24 N -2.50 0.30 0.06 1.29 0.04 -1.26 -4.72 135.00 128.20 1wg5 s PRO 24 Ca 0.62 0.48 -0.31 0.00 0.04 0.00 0.00 61.00 61.83 1wg5 s PRO 24 Cb -0.37 -1.73 -0.08 0.00 0.04 0.00 0.00 34.50 32.37 1wg5 s PRO 24 CO 0.46 -2.81 1.61 -0.06 0.04 0.00 0.00 177.00 176.24 1wg5 s PHE 25 N -2.96 2.49 0.00 0.56 0.40 -1.26 -1.95 117.98 115.26 1wg5 s PHE 25 Ca 0.66 0.40 0.00 0.00 -0.60 0.00 0.00 56.93 57.39 1wg5 s PHE 25 Cb -0.19 -3.92 0.00 0.00 0.51 0.00 0.00 43.02 39.43 1wg5 s PHE 25 CO 0.58 -3.64 0.00 0.41 0.70 0.00 0.00 175.22 173.27 1wg5 n GLY 26 N 3.94 0.42 3.69 4.36 0.00 -1.26 -4.98 105.19 111.36 1wg5 n GLY 26 Ca 0.15 -0.77 -0.42 0.00 0.00 0.00 0.00 46.02 44.98 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 2.44 0.48 0.21 0.00 0.01 -1.26 -5.03 113.70 110.56 1wg5 s SER 28 Ca 0.81 -1.34 -0.11 0.00 1.31 0.00 0.00 55.95 56.62 1wg5 s SER 28 Cb -0.49 0.53 0.29 0.00 0.21 0.00 0.00 66.02 66.56 1wg5 s SER 28 CO 0.37 -1.07 1.68 0.11 0.41 0.00 0.00 173.24 174.74 1wg5 h LYS 29 N 2.33 0.16 -1.17 12.44 1.57 -1.97 0.79 116.57 130.72 1wg5 h LYS 29 Ca -0.30 -0.01 0.39 0.00 -1.87 0.00 0.00 60.65 58.86 1wg5 h LYS 29 Cb 1.24 -0.04 -0.14 0.00 0.08 0.00 0.00 32.23 33.38 1wg5 h LYS 29 CO 0.42 0.11 0.72 0.93 -0.57 0.00 0.00 179.45 181.06 1wg5 h GLU 30 N 0.16 0.16 0.14 3.15 4.39 -1.97 0.66 114.58 121.27 1wg5 h GLU 30 Ca 0.31 -0.01 -0.34 0.00 0.34 0.00 0.00 59.36 59.66 1wg5 h GLU 30 Cb 0.49 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.10 1wg5 h GLU 30 CO -0.47 0.10 -1.77 0.93 -1.16 0.00 0.00 179.01 176.64 1wg5 h GLU 31 N 0.16 0.30 0.69 2.33 5.08 -1.31 -3.36 114.58 118.46 1wg5 h GLU 31 Ca 0.78 -0.50 -0.03 0.00 -1.00 0.00 0.00 59.36 58.60 1wg5 h GLU 31 Cb 2.20 0.19 0.01 0.00 0.50 0.00 0.00 28.75 31.65 1wg5 h GLU 31 CO -0.51 1.18 -0.33 0.82 -1.00 0.00 0.00 179.01 179.17 1wg5 h ILE 32 N 0.08 0.00 -0.77 3.13 2.04 0.13 -0.19 117.51 121.94 1wg5 h ILE 32 Ca -0.34 -0.21 0.22 0.00 1.00 0.00 0.00 64.86 65.52 1wg5 h ILE 32 Cb 2.06 0.00 -0.14 0.00 -0.74 0.00 0.00 36.82 37.99 1wg5 h ILE 32 CO 0.14 0.00 0.04 0.52 0.00 0.00 0.00 178.15 178.85 1wg5 n VAL 33 N -5.09 -0.32 0.03 1.67 0.31 0.19 0.16 118.33 115.27 1wg5 n VAL 33 Ca -0.12 1.68 -0.19 0.00 -0.01 0.00 0.00 64.34 65.70 1wg5 n VAL 33 Cb 0.37 -2.46 -0.11 0.00 -0.91 0.00 0.00 33.84 30.73 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 0.61 -0.70 5.55 4.20 -1.70 -3.19 115.11 119.89 1wg5 h GLN 34 Ca 0.47 -0.65 0.20 0.00 0.06 0.00 0.00 58.65 58.74 1wg5 h GLN 34 Cb 1.00 0.18 -0.03 0.00 0.30 0.00 0.00 27.48 28.93 1wg5 h GLN 34 CO -0.71 1.25 0.63 0.35 -0.67 0.00 0.00 178.83 179.68 1wg5 h PHE 35 N 0.23 0.00 -0.95 2.96 3.57 0.34 0.33 116.94 123.43 1wg5 h PHE 35 Ca -0.11 0.00 -0.63 0.00 3.53 0.00 0.00 57.97 60.76 1wg5 h PHE 35 Cb 1.56 0.00 -0.31 0.00 2.79 0.00 0.00 35.95 39.99 1wg5 h PHE 35 CO 0.12 0.00 0.59 1.19 -2.23 0.00 0.00 178.31 177.98 1wg5 n PHE 36 N -3.85 3.09 -1.63 0.41 3.72 -0.53 -5.02 117.46 113.66 1wg5 n PHE 36 Ca 0.14 -2.78 -0.46 0.00 -0.05 0.00 0.00 57.45 54.31 1wg5 n PHE 36 Cb 0.89 -1.23 -0.03 0.00 -0.94 0.00 0.00 39.48 38.17 1wg5 n PHE 36 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 1wg5 n SER 37 N -0.92 2.07 0.00 4.37 2.88 0.12 -1.40 113.62 120.73 1wg5 n SER 37 Ca 0.59 1.15 0.00 0.00 -1.33 0.00 0.00 58.87 59.28 1wg5 n SER 37 Cb 0.81 -1.34 0.00 0.00 -0.75 0.00 0.00 64.21 62.93 1wg5 n SER 37 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wg5 n GLY 38 N 1.92 3.09 3.92 0.46 0.00 -1.26 -5.04 105.19 108.28 1wg5 n GLY 38 Ca 0.12 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.86 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 4.23 -0.25 0.99 1.43 -0.49 -5.09 118.68 119.50 1wg5 s LEU 39 Ca 0.00 0.45 -0.07 0.00 -1.03 0.00 0.00 54.13 53.49 1wg5 s LEU 39 Cb 0.00 -3.21 -0.02 0.00 0.03 0.00 0.00 46.19 42.99 1wg5 s LEU 39 CO 0.00 -0.02 0.06 -0.70 0.23 0.00 0.00 176.35 175.92 1wg5 s GLU 40 N -3.13 3.53 0.18 1.70 2.12 -1.26 -5.01 118.70 116.83 1wg5 s GLU 40 Ca 0.39 -0.56 0.08 0.00 0.36 0.00 0.00 54.97 55.24 1wg5 s GLU 40 Cb -0.11 -3.30 -0.04 0.00 0.26 0.00 0.00 34.13 30.94 1wg5 s GLU 40 CO 0.28 -0.23 -0.02 0.42 -0.54 0.00 0.00 175.26 175.17 1wg5 s ILE 41 N 1.58 3.62 0.48 -3.70 1.01 -1.26 -2.41 121.20 120.52 1wg5 s ILE 41 Ca 0.06 -1.49 -0.17 0.00 0.00 0.00 0.00 60.65 59.04 1wg5 s ILE 41 Cb -0.15 -2.82 -0.09 0.00 0.01 0.00 0.00 42.46 39.41 1wg5 s ILE 41 CO 0.03 -0.13 0.96 0.68 0.00 0.00 0.00 174.94 176.48 1wg5 s VAL 42 N -1.76 4.51 0.17 2.92 -7.23 -1.15 -4.81 120.40 113.04 1wg5 s VAL 42 Ca 0.27 1.26 -0.30 0.00 -1.81 0.00 0.00 61.98 61.40 1wg5 s VAL 42 Cb -0.09 -3.69 -0.08 0.00 0.56 0.00 0.00 36.38 33.08 1wg5 s VAL 42 CO 0.18 -0.57 1.32 -2.16 -0.31 0.00 0.00 175.10 173.56 1wg5 s PRO 43 N -3.80 4.37 -2.10 4.82 0.04 -1.26 -2.64 135.00 134.44 1wg5 s PRO 43 Ca 0.59 2.04 0.00 0.00 0.04 0.00 0.00 61.00 63.67 1wg5 s PRO 43 Cb -0.10 -3.22 0.00 0.00 0.04 0.00 0.00 34.50 31.23 1wg5 s PRO 43 CO 0.26 -0.30 0.00 0.09 0.04 0.00 0.00 177.00 177.09 1wg5 n ASN 44 N 3.06 -5.50 -2.12 6.66 3.02 -1.26 -4.85 115.26 114.26 1wg5 n ASN 44 Ca 0.08 0.42 -0.26 0.00 -0.03 0.00 0.00 54.58 54.79 1wg5 n ASN 44 Cb 0.43 -4.75 0.10 0.00 -0.61 0.00 0.00 39.78 34.94 1wg5 n ASN 44 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1wg5 n GLY 45 N -0.56 4.84 2.96 7.41 0.00 -1.08 -4.89 105.19 113.87 1wg5 n GLY 45 Ca -0.21 -1.54 -0.17 0.00 0.00 0.00 0.00 46.02 44.10 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 -2.99 0.59 -0.08 1.61 -1.94 -1.26 0.14 119.30 115.38 1wg5 s MET 46 Ca 0.51 -0.19 0.05 0.00 -1.71 0.00 0.00 55.69 54.34 1wg5 s MET 46 Cb 0.41 -0.59 -0.00 0.00 2.01 0.00 0.00 34.83 36.66 1wg5 s MET 46 CO 0.03 0.08 -0.22 0.99 -0.01 0.00 0.00 175.02 175.88 1wg5 s THR 47 N 0.13 1.90 -0.37 2.05 2.01 0.80 -4.96 115.64 117.21 1wg5 s THR 47 Ca -0.01 -0.95 0.00 0.00 0.31 0.00 0.00 61.69 61.04 1wg5 s THR 47 Cb -0.06 -1.63 0.12 0.00 0.01 0.00 0.00 72.50 70.94 1wg5 s THR 47 CO -0.00 0.53 0.18 -0.76 -0.69 0.00 0.00 174.62 173.87 1wg5 s LEU 48 N 0.19 2.11 1.13 4.42 1.02 -1.26 -0.47 118.68 125.81 1wg5 s LEU 48 Ca -0.12 -2.12 -0.17 0.00 0.02 0.00 0.00 54.13 51.74 1wg5 s LEU 48 Cb -0.16 -0.82 0.25 0.00 0.02 0.00 0.00 46.19 45.48 1wg5 s LEU 48 CO 0.06 -0.34 1.10 -2.16 0.02 0.00 0.00 176.35 175.04 1wg5 s PRO 49 N 1.03 -0.63 0.35 1.29 0.04 -1.26 -4.99 135.00 130.83 1wg5 s PRO 49 Ca 0.14 0.14 0.02 0.00 0.04 0.00 0.00 61.00 61.34 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 -0.11 -3.36 0.42 1.33 0.04 0.00 0.00 177.00 175.33 1wg5 n VAL 50 N -4.55 0.00 -1.19 -0.36 0.24 -1.26 -3.29 118.33 107.92 1wg5 n VAL 50 Ca 0.10 -2.03 0.00 0.00 -2.04 0.00 0.00 64.34 60.37 1wg5 n VAL 50 Cb 0.59 1.15 0.00 0.00 -1.47 0.00 0.00 33.84 34.11 1wg5 n VAL 50 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 1wg5 n ASP 51 N -1.64 0.00 0.27 -1.34 8.00 0.32 -4.72 116.55 117.44 1wg5 n ASP 51 Ca 0.03 -0.71 0.16 0.00 0.71 0.00 0.00 54.79 54.98 1wg5 n ASP 51 Cb 0.60 0.00 0.68 0.00 -0.02 0.00 0.00 41.12 42.38 1wg5 n ASP 51 CO 0.00 0.00 0.00 0.15 -0.39 0.00 0.00 177.20 176.96 1wg5 h PHE 52 N -0.54 0.00 -0.00 1.24 3.04 -2.02 -2.56 116.94 116.10 1wg5 h PHE 52 Ca 0.00 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.95 1wg5 h PHE 52 Cb 0.00 0.00 0.00 0.00 2.56 0.00 0.00 35.95 38.51 1wg5 h PHE 52 CO 0.00 0.04 -0.87 1.04 -2.02 0.00 0.00 178.31 176.50 1wg5 n GLN 53 N -3.17 0.75 0.00 1.11 1.13 -1.26 -4.96 117.38 110.98 1wg5 n GLN 53 Ca 0.00 -0.04 0.00 0.00 -1.94 0.00 0.00 57.00 55.02 1wg5 n GLN 53 Cb 0.31 -1.40 0.00 0.00 0.11 0.00 0.00 30.24 29.26 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 1.44 1.11 3.61 1.08 0.00 -0.97 -5.07 105.19 106.40 1wg5 n GLY 54 Ca 0.04 0.00 -0.42 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 -0.38 3.98 0.08 1.61 0.52 -1.26 -4.58 118.95 118.92 1wg5 s ARG 55 Ca 0.00 0.59 -0.27 0.00 -0.52 0.00 0.00 55.73 55.53 1wg5 s ARG 55 Cb 0.00 -3.72 -0.15 0.00 0.52 0.00 0.00 34.95 31.61 1wg5 s ARG 55 CO 0.00 -0.64 0.62 -1.13 0.02 0.00 0.00 175.30 174.17 1wg5 n SER 56 N 6.14 -0.53 -1.37 0.23 3.41 -1.26 -0.52 113.62 119.71 1wg5 n SER 56 Ca 0.03 0.91 0.00 0.00 -0.26 0.00 0.00 58.87 59.56 1wg5 n SER 56 Cb 0.48 -0.75 0.20 0.00 -0.26 0.00 0.00 64.21 63.89 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 1.70 -1.19 6.66 -2.24 -1.21 -4.71 114.28 113.86 1wg5 n THR 57 Ca 0.15 -0.85 -0.09 0.00 -2.27 0.00 0.00 64.05 60.99 1wg5 n THR 57 Cb 0.14 -0.44 -0.04 0.00 -2.10 0.00 0.00 70.33 67.88 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 0.20 0.90 3.29 3.38 0.00 -1.26 -4.88 105.19 106.82 1wg5 n GLY 58 Ca 0.19 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.98 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 -2.63 1.14 0.17 1.61 2.02 -1.26 -1.19 118.70 118.55 1wg5 s GLU 59 Ca 0.00 -1.18 -0.20 0.00 0.02 0.00 0.00 54.97 53.61 1wg5 s GLU 59 Cb 0.00 -1.38 0.05 0.00 0.10 0.00 0.00 34.13 32.89 1wg5 s GLU 59 CO 0.00 0.32 0.54 0.00 0.02 0.00 0.00 175.26 176.14 1wg5 s ALA 60 N -1.23 -1.25 -0.13 5.21 0.00 -1.14 -4.04 121.76 119.17 1wg5 s ALA 60 Ca 0.07 0.14 -0.01 0.00 0.00 0.00 0.00 51.96 52.16 1wg5 s ALA 60 Cb -0.10 0.83 0.04 0.00 0.00 0.00 0.00 23.12 23.89 1wg5 s ALA 60 CO 0.04 -0.76 -0.02 -0.06 0.00 0.00 0.00 175.76 174.97 1wg5 s PHE 61 N -3.80 1.16 -0.02 0.00 0.08 0.38 -1.09 117.98 114.69 1wg5 s PHE 61 Ca 0.04 -0.67 -0.00 0.00 0.12 0.00 0.00 56.93 56.41 1wg5 s PHE 61 Cb -0.01 -1.06 -0.04 0.00 -0.57 0.00 0.00 43.02 41.35 1wg5 s PHE 61 CO -0.09 -0.50 0.04 0.08 -0.10 0.00 0.00 175.22 174.64 1wg5 s VAL 62 N 1.81 4.44 -0.33 -0.44 1.01 -0.14 -0.14 120.40 126.63 1wg5 s VAL 62 Ca 0.02 -0.44 0.02 0.00 0.00 0.00 0.00 61.98 61.59 1wg5 s VAL 62 Cb -0.14 -2.98 0.09 0.00 0.00 0.00 0.00 36.38 33.34 1wg5 s VAL 62 CO -0.07 0.41 0.03 -1.58 0.00 0.00 0.00 175.10 173.89 1wg5 s GLN 63 N -1.49 1.80 0.94 2.72 0.74 0.12 -0.03 119.66 124.46 1wg5 s GLN 63 Ca 0.19 -1.70 -0.12 0.00 0.05 0.00 0.00 55.36 53.79 1wg5 s GLN 63 Cb -0.12 -3.18 0.15 0.00 1.10 0.00 0.00 33.01 30.97 1wg5 s GLN 63 CO 0.10 -0.84 1.09 -0.06 -0.55 0.00 0.00 175.29 175.03 1wg5 s PHE 64 N 1.01 2.23 0.47 1.67 0.08 -0.66 -2.94 117.98 119.83 1wg5 s PHE 64 Ca 0.05 1.14 0.25 0.00 0.12 0.00 0.00 56.93 58.48 1wg5 s PHE 64 Cb -0.20 -3.21 1.45 0.00 -0.57 0.00 0.00 43.02 40.49 1wg5 s PHE 64 CO -0.06 -2.60 2.10 0.00 -0.10 0.00 0.00 175.22 174.56 1wg5 h ALA 65 N -1.69 1.45 -2.63 5.36 0.00 -1.74 -3.43 119.26 116.58 1wg5 h ALA 65 Ca -0.52 -0.09 0.10 0.00 0.00 0.00 0.00 54.91 54.41 1wg5 h ALA 65 Cb 1.30 -0.02 -0.09 0.00 0.00 0.00 0.00 17.79 18.99 1wg5 h ALA 65 CO 0.56 0.12 0.37 -1.54 0.00 0.00 0.00 179.25 178.76 1wg5 s SER 66 N -6.35 -0.29 0.16 0.00 1.04 -1.24 -4.99 113.70 102.03 1wg5 s SER 66 Ca -0.04 -0.34 -0.14 0.00 0.48 0.00 0.00 55.95 55.91 1wg5 s SER 66 Cb 0.14 0.56 0.04 0.00 0.10 0.00 0.00 66.02 66.86 1wg5 s SER 66 CO 0.60 -1.00 1.75 -0.61 0.98 0.00 0.00 173.24 174.96 1wg5 h GLN 67 N 2.00 0.69 -0.90 4.02 -0.00 -1.82 -2.19 115.11 116.91 1wg5 h GLN 67 Ca -0.24 -0.09 0.19 0.00 -0.00 0.00 0.00 58.65 58.51 1wg5 h GLN 67 Cb 1.25 -0.13 -0.07 0.00 0.00 0.00 0.00 27.48 28.53 1wg5 h GLN 67 CO 0.27 0.55 0.59 1.05 0.00 0.00 0.00 178.83 181.30 1wg5 h GLU 68 N 0.64 0.47 0.00 1.69 4.11 -1.97 0.88 114.58 120.40 1wg5 h GLU 68 Ca 0.17 -0.03 -0.22 0.00 0.07 0.00 0.00 59.36 59.35 1wg5 h GLU 68 Cb 0.08 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 29.22 1wg5 h GLU 68 CO -0.03 0.31 -0.92 0.82 0.07 0.00 0.00 179.01 179.26 1wg5 h ILE 69 N 0.48 1.42 -0.06 -1.06 2.04 -1.83 -3.27 117.51 115.23 1wg5 h ILE 69 Ca 0.47 -2.49 -0.00 0.00 1.00 0.00 0.00 64.86 63.84 1wg5 h ILE 69 Cb 1.06 2.43 -0.00 0.00 -0.74 0.00 0.00 36.82 39.56 1wg5 h ILE 69 CO -0.20 0.74 0.03 0.00 0.00 0.00 0.00 178.15 178.72 1wg5 h ALA 70 N 0.80 0.07 -0.77 1.87 0.00 -0.27 -2.78 119.26 118.18 1wg5 h ALA 70 Ca -0.07 -0.03 0.15 0.00 0.00 0.00 0.00 54.91 54.96 1wg5 h ALA 70 Cb 1.56 -0.02 -0.10 0.00 0.00 0.00 0.00 17.79 19.22 1wg5 h ALA 70 CO 0.16 -0.40 0.28 0.93 0.00 0.00 0.00 179.25 180.22 1wg5 h GLU 71 N 0.03 0.39 -0.69 0.00 5.08 -1.41 0.23 114.58 118.21 1wg5 h GLU 71 Ca 0.02 -0.02 0.05 0.00 -1.00 0.00 0.00 59.36 58.41 1wg5 h GLU 71 Cb 0.05 -0.09 -0.04 0.00 0.50 0.00 0.00 28.75 29.17 1wg5 h GLU 71 CO -0.00 0.25 0.45 0.87 -1.00 0.00 0.00 179.01 179.58 1wg5 h LYS 72 N 0.40 0.72 0.00 2.33 1.57 -1.55 -0.99 116.57 119.05 1wg5 h LYS 72 Ca 0.43 -0.04 -0.13 0.00 -1.87 0.00 0.00 60.65 59.04 1wg5 h LYS 72 Cb 0.69 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.82 1wg5 h LYS 72 CO -0.44 0.48 -0.63 0.00 -0.57 0.00 0.00 179.45 178.29 1wg5 h ALA 73 N 1.62 0.63 -0.70 3.86 0.00 -0.47 -3.25 119.26 120.95 1wg5 h ALA 73 Ca 0.29 -0.57 0.07 0.00 0.00 0.00 0.00 54.91 54.70 1wg5 h ALA 73 Cb 0.20 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.84 1wg5 h ALA 73 CO -0.09 0.78 0.46 -0.07 0.00 0.00 0.00 179.25 180.34 1wg5 h LEU 74 N 0.00 0.62 -0.95 0.00 3.38 0.50 0.16 115.31 119.02 1wg5 h LEU 74 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1wg5 h LEU 74 Cb 1.42 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 42.05 1wg5 h LEU 74 CO 0.08 0.39 0.00 0.29 0.09 0.00 0.00 178.44 179.30 1wg5 n LYS 75 N -4.48 0.15 -0.44 1.13 4.76 -1.18 -2.40 118.16 115.70 1wg5 n LYS 75 Ca 0.10 0.52 -0.08 0.00 -2.87 0.00 0.00 58.31 55.98 1wg5 n LYS 75 Cb 0.25 -1.87 0.05 0.00 -1.84 0.00 0.00 35.03 31.61 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 -2.16 1.39 -2.54 1.97 5.02 0.55 -4.92 118.16 117.46 1wg5 n LYS 76 Ca 0.00 -0.89 -0.35 0.00 -2.02 0.00 0.00 58.31 55.06 1wg5 n LYS 76 Cb 0.12 -1.35 -0.04 0.00 -0.02 0.00 0.00 35.03 33.75 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 -0.98 3.05 0.00 2.13 2.46 -1.01 -3.02 115.29 117.92 1wg5 s HIS 77 Ca 0.17 1.59 0.00 0.00 0.47 0.00 0.00 55.06 57.29 1wg5 s HIS 77 Cb 0.14 -3.08 0.00 0.00 -0.13 0.00 0.00 32.58 29.51 1wg5 s HIS 77 CO 0.02 -0.79 0.00 1.63 -2.47 0.00 0.00 174.74 173.14 1wg5 n LYS 78 N -0.77 -0.47 -2.02 2.88 4.76 0.63 -4.92 118.16 118.25 1wg5 n LYS 78 Ca 0.08 0.12 -0.43 0.00 -2.87 0.00 0.00 58.31 55.21 1wg5 n LYS 78 Cb 0.52 -3.98 -0.03 0.00 -1.84 0.00 0.00 35.03 29.70 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 -0.89 3.59 0.41 1.97 0.41 -0.91 -3.75 118.70 119.53 1wg5 s GLU 79 Ca 0.00 1.62 -0.22 0.00 -0.41 0.00 0.00 54.97 55.96 1wg5 s GLU 79 Cb 0.00 -4.12 -0.10 0.00 -1.78 0.00 0.00 34.13 28.12 1wg5 s GLU 79 CO 0.00 -1.55 0.96 -0.98 -0.49 0.00 0.00 175.26 173.21 1wg5 s ARG 80 N 5.15 4.26 -0.52 1.61 1.70 -1.26 -1.36 118.95 128.53 1wg5 s ARG 80 Ca 0.77 1.22 0.04 0.00 -0.47 0.00 0.00 55.73 57.29 1wg5 s ARG 80 Cb -0.25 -2.34 0.14 0.00 -0.57 0.00 0.00 34.95 31.93 1wg5 s ARG 80 CO 0.32 -0.01 0.29 0.42 -1.08 0.00 0.00 175.30 175.24 1wg5 s ILE 81 N -2.00 2.27 0.00 4.99 1.01 -0.87 -4.85 121.20 121.75 1wg5 s ILE 81 Ca 0.60 -3.23 0.00 0.00 0.00 0.00 0.00 60.65 58.01 1wg5 s ILE 81 Cb -0.13 -2.56 0.00 0.00 0.01 0.00 0.00 42.46 39.78 1wg5 s ILE 81 CO 0.17 -0.86 0.00 0.61 0.00 0.00 0.00 174.94 174.86 1wg5 n GLY 82 N 3.07 2.61 2.00 6.18 0.00 -1.26 -4.31 105.19 113.48 1wg5 n GLY 82 Ca 0.08 -0.59 -0.01 0.00 0.00 0.00 0.00 46.02 45.50 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 -0.17 -3.23 1.61 1.44 -1.26 -5.13 115.22 108.48 1wg5 n HIS 83 Ca 0.00 -0.32 0.04 0.00 -2.01 0.00 0.00 57.72 55.43 1wg5 n HIS 83 Cb 0.00 0.83 -0.02 0.00 0.12 0.00 0.00 29.99 30.92 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 0.40 0.40 -1.40 1.81 -1.26 -5.05 118.95 113.86 1wg5 s ARG 84 Ca 0.01 0.78 -0.26 0.00 -1.72 0.00 0.00 55.73 54.54 1wg5 s ARG 84 Cb 0.03 0.44 -0.10 0.00 -0.45 0.00 0.00 34.95 34.87 1wg5 s ARG 84 CO -0.01 -0.36 1.30 0.66 -0.68 0.00 0.00 175.30 176.21 1wg5 n TYR 85 N 5.38 2.28 -4.73 -0.53 4.01 -1.26 -2.04 117.16 120.27 1wg5 n TYR 85 Ca -0.05 0.50 -0.33 0.00 -0.16 0.00 0.00 57.90 57.86 1wg5 n TYR 85 Cb 0.52 -2.40 -0.14 0.00 -0.31 0.00 0.00 39.34 37.00 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 -1.17 3.12 -0.34 -0.72 -1.09 -0.46 -4.62 121.20 115.92 1wg5 s ILE 86 Ca 0.59 -0.64 -0.11 0.00 -2.23 0.00 0.00 60.65 58.26 1wg5 s ILE 86 Cb -0.51 -2.32 0.00 0.00 -1.58 0.00 0.00 42.46 38.05 1wg5 s ILE 86 CO 0.59 0.52 0.20 -1.61 -1.23 0.00 0.00 174.94 173.41 1wg5 s GLU 87 N 0.37 3.18 -0.17 2.79 2.02 0.61 0.23 118.70 127.74 1wg5 s GLU 87 Ca -0.10 -0.84 -0.08 0.00 0.02 0.00 0.00 54.97 53.97 1wg5 s GLU 87 Cb -0.16 -3.70 -0.04 0.00 0.10 0.00 0.00 34.13 30.33 1wg5 s GLU 87 CO 0.05 -0.54 0.12 0.42 0.02 0.00 0.00 175.26 175.33 1wg5 s ILE 88 N 1.62 5.28 -0.04 -1.63 1.01 -1.26 0.17 121.20 126.36 1wg5 s ILE 88 Ca 0.04 0.14 -0.02 0.00 0.00 0.00 0.00 60.65 60.81 1wg5 s ILE 88 Cb -0.18 -3.36 0.03 0.00 0.01 0.00 0.00 42.46 38.96 1wg5 s ILE 88 CO 0.08 0.51 0.04 -0.36 0.00 0.00 0.00 174.94 175.20 1wg5 s PHE 89 N -0.13 0.18 0.32 3.97 0.08 0.64 -4.87 117.98 118.18 1wg5 s PHE 89 Ca 0.10 0.15 -0.24 0.00 0.12 0.00 0.00 56.93 57.06 1wg5 s PHE 89 Cb -0.12 -0.51 -0.16 0.00 -0.57 0.00 0.00 43.02 41.66 1wg5 s PHE 89 CO 0.00 -0.20 0.28 1.17 -0.10 0.00 0.00 175.22 176.38 1wg5 n LYS 90 N 5.08 0.01 -1.86 0.44 0.00 -1.26 -0.90 118.16 119.66 1wg5 n LYS 90 Ca -0.08 0.01 -0.02 0.00 0.00 0.00 0.00 58.31 58.21 1wg5 n LYS 90 Cb 0.50 -1.01 -0.00 0.00 0.00 0.00 0.00 35.03 34.52 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 2.17 -0.27 -3.96 3.14 2.88 0.49 -4.62 113.62 113.45 1wg5 n SER 91 Ca 0.14 -1.31 -0.20 0.00 -1.33 0.00 0.00 58.87 56.17 1wg5 n SER 91 Cb 0.33 0.49 -0.09 0.00 -0.75 0.00 0.00 64.21 64.19 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 -1.37 1.76 0.06 -3.46 0.15 -1.26 -3.67 113.70 105.91 1wg5 s SER 92 Ca 0.04 -1.59 -0.18 0.00 0.70 0.00 0.00 55.95 54.93 1wg5 s SER 92 Cb -0.00 0.41 -0.14 0.00 -1.71 0.00 0.00 66.02 64.58 1wg5 s SER 92 CO 0.03 -0.90 1.32 -0.09 1.20 0.00 0.00 173.24 174.80 1wg5 h ARG 93 N 2.14 0.54 -0.08 5.44 2.43 -1.98 -3.24 114.38 119.63 1wg5 h ARG 93 Ca -0.33 -0.34 -0.02 0.00 -0.81 0.00 0.00 59.98 58.48 1wg5 h ARG 93 Cb 1.25 0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 30.84 1wg5 h ARG 93 CO 0.52 0.94 -0.02 0.00 -1.51 0.00 0.00 179.97 179.90 1wg5 h ALA 94 N 0.59 0.11 -0.99 2.80 0.00 -1.97 -3.19 119.26 116.61 1wg5 h ALA 94 Ca 0.01 -0.22 0.21 0.00 0.00 0.00 0.00 54.91 54.91 1wg5 h ALA 94 Cb 0.92 -0.03 -0.19 0.00 0.00 0.00 0.00 17.79 18.49 1wg5 h ALA 94 CO 0.07 -0.16 -0.20 0.93 0.00 0.00 0.00 179.25 179.89 1wg5 h GLU 95 N -0.20 0.00 -5.92 0.00 4.39 -1.98 -3.40 114.58 107.47 1wg5 h GLU 95 Ca 0.02 -0.00 -0.79 0.00 0.34 0.00 0.00 59.36 58.93 1wg5 h GLU 95 Cb 0.44 -0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.06 1wg5 h GLU 95 CO 0.01 0.00 1.14 0.28 -1.16 0.00 0.00 179.01 179.28 1wg5 n VAL 96 N -5.60 0.00 -1.35 3.13 0.31 -1.21 -4.39 118.33 109.22 1wg5 n VAL 96 Ca 0.17 0.00 0.16 0.00 -0.01 0.00 0.00 64.34 64.66 1wg5 n VAL 96 Cb 0.54 -0.49 -0.09 0.00 -0.91 0.00 0.00 33.84 32.89 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 6.49 -2.98 0.00 5.55 5.12 -1.26 -5.00 116.66 124.58 1wg5 n ARG 97 Ca 0.48 2.44 0.00 0.00 -1.93 0.00 0.00 57.85 58.84 1wg5 n ARG 97 Cb -0.04 -3.55 0.00 0.00 -1.16 0.00 0.00 32.46 27.70 1wg5 n ARG 97 CO 0.00 0.00 0.00 -2.37 -1.93 0.00 0.00 177.63 173.33 1wg5 n THR 98 N -4.22 0.00 -1.50 0.55 5.66 -1.26 -5.02 114.28 108.49 1wg5 n THR 98 Ca -0.08 0.00 0.11 0.00 -3.05 0.00 0.00 64.05 61.03 1wg5 n THR 98 Cb 0.61 0.00 -0.06 0.00 -1.55 0.00 0.00 70.33 69.33 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 0.00 -7.95 -4.86 1.09 7.64 -1.26 -4.95 113.62 103.33 1wg5 n SER 99 Ca 0.00 1.60 -0.23 0.00 1.01 0.00 0.00 58.87 61.25 1wg5 n SER 99 Cb 0.00 -5.03 0.07 0.00 -1.01 0.00 0.00 64.21 58.24 1wg5 n SER 99 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1wg5 s GLY 100 N -6.60 1.78 0.31 0.23 0.00 -1.26 -4.98 107.32 96.80 1wg5 s GLY 100 Ca 0.00 -1.33 0.25 0.00 0.00 0.00 0.00 44.72 43.64 1wg5 s GLY 100 CO 0.00 -0.93 1.76 -0.56 0.00 0.00 0.00 173.10 173.37 1wg5 h PRO 101 N -0.29 0.00 -0.90 2.90 0.13 -2.05 -3.27 132.00 128.51 1wg5 h PRO 101 Ca -0.41 0.00 0.22 0.00 -0.87 0.00 0.00 66.00 64.94 1wg5 h PRO 101 Cb 1.29 0.00 -0.17 0.00 0.13 0.00 0.00 31.00 32.26 1wg5 h PRO 101 CO 0.51 0.00 -0.03 1.03 -0.23 0.00 0.00 178.00 179.27 1wg5 h SER 102 N 0.00 -0.51 -2.60 1.44 0.87 -2.02 -3.41 113.55 107.32 1wg5 h SER 102 Ca 0.00 0.25 0.12 0.00 -1.23 0.00 0.00 61.79 60.94 1wg5 h SER 102 Cb 0.38 0.46 -0.29 0.00 -0.44 0.00 0.00 62.40 62.51 1wg5 h SER 102 CO 0.00 -0.28 0.53 -0.55 -0.53 0.00 0.00 176.83 176.00 1wg5 s SER 103 N -5.12 -0.36 0.00 6.23 0.15 -1.23 -5.31 113.70 108.05 1wg5 s SER 103 Ca -0.13 0.62 0.00 0.00 0.70 0.00 0.00 55.95 57.13 1wg5 s SER 103 Cb 0.26 0.92 0.00 0.00 -1.71 0.00 0.00 66.02 65.49 1wg5 s SER 103 CO 0.77 -0.10 0.00 0.61 1.20 0.00 0.00 173.24 175.72