#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 -0.41 -0.48 1.61 1.04 -1.26 -5.11 113.70 109.10 1wg5 s SER 2 Ca 0.00 0.20 -0.44 0.00 0.48 0.00 0.00 55.95 56.19 1wg5 s SER 2 Cb 0.00 0.39 -0.18 0.00 0.10 0.00 0.00 66.02 66.33 1wg5 s SER 2 CO 0.00 -0.56 1.99 -0.24 0.98 0.00 0.00 173.24 175.41 1wg5 n SER 3 N 0.17 1.05 -4.05 7.02 2.88 -1.26 -4.89 113.62 114.54 1wg5 n SER 3 Ca -0.11 0.81 -0.32 0.00 -1.33 0.00 0.00 58.87 57.92 1wg5 n SER 3 Cb 0.60 -0.93 -0.15 0.00 -0.75 0.00 0.00 64.21 62.98 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 5.22 1.81 -0.26 0.46 0.00 -1.26 -4.90 107.32 108.40 1wg5 s GLY 4 Ca 1.14 -2.18 -0.01 0.00 0.00 0.00 0.00 44.72 43.67 1wg5 s GLY 4 CO 0.69 0.79 0.02 -1.26 0.00 0.00 0.00 173.10 173.34 1wg5 n SER 5 N 4.34 -7.28 -4.51 1.64 2.88 -1.26 -4.97 113.62 104.46 1wg5 n SER 5 Ca -0.04 1.30 -0.37 0.00 -1.33 0.00 0.00 58.87 58.43 1wg5 n SER 5 Cb 0.42 -4.84 -0.12 0.00 -0.75 0.00 0.00 64.21 58.92 1wg5 n SER 5 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1wg5 s SER 6 N -1.47 5.48 -0.46 -3.46 0.01 -1.26 -5.04 113.70 107.50 1wg5 s SER 6 Ca -0.02 -0.11 0.03 0.00 1.31 0.00 0.00 55.95 57.15 1wg5 s SER 6 Cb 0.00 -1.99 0.15 0.00 0.21 0.00 0.00 66.02 64.39 1wg5 s SER 6 CO 0.68 -0.02 0.30 -0.83 0.41 0.00 0.00 173.24 173.78 1wg5 s GLY 7 N 1.56 1.63 0.46 3.44 0.00 -1.26 -5.11 107.32 108.04 1wg5 s GLY 7 Ca 0.06 -2.65 0.06 0.00 0.00 0.00 0.00 44.72 42.20 1wg5 s GLY 7 CO 0.06 1.70 0.54 0.70 0.00 0.00 0.00 173.10 176.09 1wg5 n ASN 8 N 3.20 1.96 0.00 1.64 3.02 -1.26 -4.98 115.26 118.84 1wg5 n ASN 8 Ca 0.16 -2.35 0.00 0.00 -0.03 0.00 0.00 54.58 52.36 1wg5 n ASN 8 Cb 0.38 -0.23 0.00 0.00 -0.61 0.00 0.00 39.78 39.32 1wg5 n ASN 8 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1wg5 n SER 9 N -2.25 0.00 0.07 6.41 7.64 -1.26 -4.94 113.62 119.30 1wg5 n SER 9 Ca 0.08 0.00 0.10 0.00 1.01 0.00 0.00 58.87 60.06 1wg5 n SER 9 Cb 0.49 0.00 0.41 0.00 -1.01 0.00 0.00 64.21 64.10 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 0.00 0.11 -1.17 1.43 -0.04 -1.26 -4.79 135.00 129.28 1wg5 n PRO 10 Ca 0.00 0.36 -0.29 0.00 -0.04 0.00 0.00 63.50 63.52 1wg5 n PRO 10 Cb 0.00 -1.71 0.21 0.00 -0.04 0.00 0.00 33.50 31.96 1wg5 n PRO 10 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1wg5 s ASP 11 N -3.71 1.70 -0.17 3.54 2.15 -1.26 -4.46 116.67 114.46 1wg5 s ASP 11 Ca 0.05 0.82 -0.15 0.00 0.43 0.00 0.00 52.55 53.70 1wg5 s ASP 11 Cb 0.09 -1.22 0.02 0.00 -0.30 0.00 0.00 42.92 41.52 1wg5 s ASP 11 CO 0.33 -3.66 0.25 1.07 -0.17 0.00 0.00 175.17 172.99 1wg5 n THR 12 N -4.48 -2.09 0.05 1.71 5.66 -1.26 -4.88 114.28 108.99 1wg5 n THR 12 Ca 0.10 0.19 0.00 0.00 -3.05 0.00 0.00 64.05 61.29 1wg5 n THR 12 Cb 0.59 -2.29 0.00 0.00 -1.55 0.00 0.00 70.33 67.08 1wg5 n THR 12 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1wg5 n ALA 13 N 0.42 1.49 -1.65 1.79 0.00 -1.26 -5.10 120.51 116.21 1wg5 n ALA 13 Ca -0.03 0.00 -0.50 0.00 0.00 0.00 0.00 53.44 52.91 1wg5 n ALA 13 Cb 0.42 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.82 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 -2.75 2.50 -0.03 0.00 4.13 -1.26 -4.86 115.26 112.99 1wg5 n ASN 14 Ca 0.00 1.08 -0.02 0.00 1.68 0.00 0.00 54.58 57.32 1wg5 n ASN 14 Cb 0.00 -1.29 -0.07 0.00 -1.54 0.00 0.00 39.78 36.88 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 3.78 3.00 0.00 6.41 8.00 -1.26 -4.77 116.55 131.72 1wg5 n ASP 15 Ca 0.20 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.70 1wg5 n ASP 15 Cb 0.23 0.89 0.00 0.00 -0.02 0.00 0.00 41.12 42.22 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 2.37 1.59 3.87 0.44 0.00 -1.26 -3.46 105.19 108.74 1wg5 n GLY 16 Ca -0.10 0.00 -0.31 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 3.56 -0.18 1.61 0.08 -1.25 -1.23 117.98 118.57 1wg5 s PHE 17 Ca 0.00 1.22 -0.17 0.00 0.12 0.00 0.00 56.93 58.10 1wg5 s PHE 17 Cb 0.00 -2.78 0.05 0.00 -0.57 0.00 0.00 43.02 39.71 1wg5 s PHE 17 CO 0.00 -0.79 0.49 0.14 -0.10 0.00 0.00 175.22 174.96 1wg5 s VAL 18 N -3.20 -0.00 -0.06 -0.44 -7.23 0.53 -2.64 120.40 107.35 1wg5 s VAL 18 Ca 0.55 0.00 -0.01 0.00 -1.81 0.00 0.00 61.98 60.71 1wg5 s VAL 18 Cb -0.11 -0.68 -0.04 0.00 0.56 0.00 0.00 36.38 36.12 1wg5 s VAL 18 CO 0.53 0.00 0.03 -0.60 -0.31 0.00 0.00 175.10 174.75 1wg5 s ARG 19 N 0.27 3.00 0.04 4.82 3.52 -0.20 -0.80 118.95 129.59 1wg5 s ARG 19 Ca -0.00 -0.44 0.07 0.00 -0.13 0.00 0.00 55.73 55.24 1wg5 s ARG 19 Cb -0.03 -2.82 -0.03 0.00 -1.56 0.00 0.00 34.95 30.51 1wg5 s ARG 19 CO 0.01 0.68 -0.19 -0.51 -0.81 0.00 0.00 175.30 174.48 1wg5 s LEU 20 N -1.19 2.55 -0.04 -0.88 1.43 0.14 -0.41 118.68 120.28 1wg5 s LEU 20 Ca 0.16 -0.45 -0.01 0.00 -1.03 0.00 0.00 54.13 52.80 1wg5 s LEU 20 Cb -0.12 -1.48 0.03 0.00 0.03 0.00 0.00 46.19 44.65 1wg5 s LEU 20 CO 0.06 0.26 0.04 -0.13 0.23 0.00 0.00 176.35 176.81 1wg5 s ARG 21 N -1.42 -0.00 0.00 1.70 0.52 0.11 -2.40 118.95 117.46 1wg5 s ARG 21 Ca 0.14 0.29 0.00 0.00 -0.52 0.00 0.00 55.73 55.64 1wg5 s ARG 21 Cb -0.10 -0.46 0.00 0.00 0.52 0.00 0.00 34.95 34.91 1wg5 s ARG 21 CO 0.05 -0.27 0.00 0.41 0.02 0.00 0.00 175.30 175.51 1wg5 n GLY 22 N 4.89 1.39 3.77 -3.53 0.00 -0.06 0.12 105.19 111.76 1wg5 n GLY 22 Ca -0.12 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.52 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 4.21 1.04 0.99 1.43 -1.10 -4.41 118.68 120.85 1wg5 s LEU 23 Ca 0.00 2.30 -0.14 0.00 -1.03 0.00 0.00 54.13 55.27 1wg5 s LEU 23 Cb 0.00 -4.02 0.21 0.00 0.03 0.00 0.00 46.19 42.42 1wg5 s LEU 23 CO 0.00 -0.62 1.10 -2.16 0.23 0.00 0.00 176.35 174.90 1wg5 s PRO 24 N -2.27 0.06 0.12 1.29 0.04 -1.26 -4.69 135.00 128.29 1wg5 s PRO 24 Ca 0.56 0.40 -0.31 0.00 0.04 0.00 0.00 61.00 61.69 1wg5 s PRO 24 Cb -0.30 -1.70 -0.08 0.00 0.04 0.00 0.00 34.50 32.45 1wg5 s PRO 24 CO 0.37 -2.95 1.47 0.12 0.04 0.00 0.00 177.00 176.05 1wg5 s PHE 25 N -2.97 3.08 -0.15 0.56 5.36 -1.26 -2.14 117.98 120.46 1wg5 s PHE 25 Ca 0.66 0.78 0.00 0.00 -0.96 0.00 0.00 56.93 57.42 1wg5 s PHE 25 Cb -0.17 -3.78 0.00 0.00 -0.34 0.00 0.00 43.02 38.73 1wg5 s PHE 25 CO 0.57 -2.84 0.00 0.41 -1.46 0.00 0.00 175.22 171.90 1wg5 n GLY 26 N 3.63 0.51 3.68 13.12 0.00 -1.26 -4.97 105.19 119.91 1wg5 n GLY 26 Ca 0.13 -0.42 -0.43 0.00 0.00 0.00 0.00 46.02 45.30 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 3.43 0.43 0.20 0.00 0.01 -1.26 -5.02 113.70 111.49 1wg5 s SER 28 Ca 0.85 -1.39 -0.17 0.00 1.31 0.00 0.00 55.95 56.55 1wg5 s SER 28 Cb -0.48 0.46 0.19 0.00 0.21 0.00 0.00 66.02 66.40 1wg5 s SER 28 CO 0.40 -0.96 1.61 0.11 0.41 0.00 0.00 173.24 174.81 1wg5 h LYS 29 N 2.44 -0.08 -1.28 12.44 1.57 -1.97 0.25 116.57 129.95 1wg5 h LYS 29 Ca -0.32 0.01 0.45 0.00 -1.87 0.00 0.00 60.65 58.92 1wg5 h LYS 29 Cb 1.25 0.02 -0.14 0.00 0.08 0.00 0.00 32.23 33.44 1wg5 h LYS 29 CO 0.46 -0.05 0.81 0.39 -0.57 0.00 0.00 179.45 180.49 1wg5 n GLU 30 N -5.44 -0.04 0.02 3.15 1.02 -1.26 0.11 120.64 118.21 1wg5 n GLU 30 Ca 0.06 1.21 -0.19 0.00 -0.02 0.00 0.00 57.16 58.22 1wg5 n GLU 30 Cb 0.35 -2.36 -0.14 0.00 -0.02 0.00 0.00 31.44 29.27 1wg5 n GLU 30 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 1wg5 h GLU 31 N 0.00 0.25 0.56 3.49 4.39 -0.95 -3.37 114.58 118.95 1wg5 h GLU 31 Ca 0.84 -0.43 -0.03 0.00 0.34 0.00 0.00 59.36 60.08 1wg5 h GLU 31 Cb 2.65 0.16 0.01 0.00 -0.10 0.00 0.00 28.75 31.47 1wg5 h GLU 31 CO -0.47 1.12 -0.27 0.82 -1.16 0.00 0.00 179.01 179.05 1wg5 h ILE 32 N 0.07 0.00 -0.72 3.13 2.04 0.22 0.10 117.51 122.35 1wg5 h ILE 32 Ca -0.37 -0.19 0.19 0.00 1.00 0.00 0.00 64.86 65.49 1wg5 h ILE 32 Cb 2.04 0.00 -0.14 0.00 -0.74 0.00 0.00 36.82 37.99 1wg5 h ILE 32 CO 0.11 0.00 -0.03 0.52 0.00 0.00 0.00 178.15 178.76 1wg5 n VAL 33 N -4.56 -0.30 0.00 1.67 0.31 0.14 0.15 118.33 115.75 1wg5 n VAL 33 Ca -0.09 1.61 -0.18 0.00 -0.01 0.00 0.00 64.34 65.66 1wg5 n VAL 33 Cb 0.30 -2.32 -0.10 0.00 -0.91 0.00 0.00 33.84 30.81 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 0.55 -0.14 5.55 4.20 -1.71 -3.14 115.11 120.42 1wg5 h GLN 34 Ca 0.42 -0.54 0.04 0.00 0.06 0.00 0.00 58.65 58.63 1wg5 h GLN 34 Cb 0.83 0.14 -0.01 0.00 0.30 0.00 0.00 27.48 28.74 1wg5 h GLN 34 CO -0.69 1.17 0.52 0.35 -0.67 0.00 0.00 178.83 179.50 1wg5 h PHE 35 N 0.13 0.00 -0.61 2.96 3.57 0.35 0.69 116.94 124.03 1wg5 h PHE 35 Ca -0.08 0.00 -0.37 0.00 3.53 0.00 0.00 57.97 61.05 1wg5 h PHE 35 Cb 1.39 0.00 -0.22 0.00 2.79 0.00 0.00 35.95 39.91 1wg5 h PHE 35 CO 0.12 0.00 0.05 1.19 -2.23 0.00 0.00 178.31 177.44 1wg5 n PHE 36 N -3.00 1.99 -1.54 0.41 3.72 -0.58 -5.05 117.46 113.41 1wg5 n PHE 36 Ca 0.02 -1.98 -0.46 0.00 -0.05 0.00 0.00 57.45 54.98 1wg5 n PHE 36 Cb 0.60 -0.69 -0.02 0.00 -0.94 0.00 0.00 39.48 38.43 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 -1.03 0.69 0.00 4.37 2.88 0.24 -1.18 113.62 119.59 1wg5 n SER 37 Ca 0.44 1.17 0.00 0.00 -1.33 0.00 0.00 58.87 59.14 1wg5 n SER 37 Cb 1.06 -1.20 0.00 0.00 -0.75 0.00 0.00 64.21 63.31 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 1.46 3.10 3.91 0.46 0.00 -1.26 -5.03 105.19 107.82 1wg5 n GLY 38 Ca 0.12 0.00 -0.32 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 4.31 -0.28 0.99 1.43 -0.33 -5.08 118.68 119.72 1wg5 s LEU 39 Ca 0.00 0.46 -0.09 0.00 -1.03 0.00 0.00 54.13 53.47 1wg5 s LEU 39 Cb 0.00 -3.12 -0.02 0.00 0.03 0.00 0.00 46.19 43.07 1wg5 s LEU 39 CO 0.00 0.11 0.12 -0.70 0.23 0.00 0.00 176.35 176.12 1wg5 s GLU 40 N -2.53 3.57 0.20 1.70 2.12 -1.26 -5.01 118.70 117.48 1wg5 s GLU 40 Ca 0.38 -0.55 0.07 0.00 0.36 0.00 0.00 54.97 55.23 1wg5 s GLU 40 Cb -0.13 -3.48 -0.04 0.00 0.26 0.00 0.00 34.13 30.75 1wg5 s GLU 40 CO 0.25 -0.28 0.04 0.42 -0.54 0.00 0.00 175.26 175.15 1wg5 s ILE 41 N 1.64 3.85 0.42 -3.70 1.01 -1.26 -2.29 121.20 120.86 1wg5 s ILE 41 Ca 0.06 -1.48 -0.19 0.00 0.00 0.00 0.00 60.65 59.04 1wg5 s ILE 41 Cb -0.16 -2.98 -0.10 0.00 0.01 0.00 0.00 42.46 39.23 1wg5 s ILE 41 CO 0.06 -0.20 0.91 0.68 0.00 0.00 0.00 174.94 176.39 1wg5 s VAL 42 N -1.91 4.48 0.04 2.92 -7.23 -1.15 -4.81 120.40 112.74 1wg5 s VAL 42 Ca 0.29 1.31 -0.31 0.00 -1.81 0.00 0.00 61.98 61.47 1wg5 s VAL 42 Cb -0.09 -3.62 -0.06 0.00 0.56 0.00 0.00 36.38 33.17 1wg5 s VAL 42 CO 0.20 -0.36 1.42 -2.16 -0.31 0.00 0.00 175.10 173.90 1wg5 s PRO 43 N -3.30 4.29 -1.14 4.82 0.04 -1.26 -2.56 135.00 135.88 1wg5 s PRO 43 Ca 0.60 2.03 0.00 0.00 0.04 0.00 0.00 61.00 63.67 1wg5 s PRO 43 Cb -0.09 -3.49 0.00 0.00 0.04 0.00 0.00 34.50 30.96 1wg5 s PRO 43 CO 0.17 -0.55 0.00 0.09 0.04 0.00 0.00 177.00 176.75 1wg5 n ASN 44 N 4.99 -4.13 -2.24 6.66 4.13 -1.26 -4.91 115.26 118.51 1wg5 n ASN 44 Ca 0.13 0.16 -0.30 0.00 1.68 0.00 0.00 54.58 56.25 1wg5 n ASN 44 Cb 0.43 -2.97 0.12 0.00 -1.54 0.00 0.00 39.78 35.82 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 -1.31 5.40 3.02 7.41 0.00 -1.06 -4.92 105.19 113.72 1wg5 n GLY 45 Ca -0.13 -1.87 -0.19 0.00 0.00 0.00 0.00 46.02 43.83 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 -3.62 0.80 -0.07 1.61 -1.94 -1.26 -0.29 119.30 114.53 1wg5 s MET 46 Ca 0.61 -0.32 0.03 0.00 -1.71 0.00 0.00 55.69 54.30 1wg5 s MET 46 Cb 0.49 -0.77 0.01 0.00 2.01 0.00 0.00 34.83 36.57 1wg5 s MET 46 CO 0.03 0.17 -0.16 0.99 -0.01 0.00 0.00 175.02 176.05 1wg5 s THR 47 N -0.09 1.38 -0.37 2.05 2.01 0.24 -4.97 115.64 115.90 1wg5 s THR 47 Ca 0.02 -0.63 0.00 0.00 0.31 0.00 0.00 61.69 61.39 1wg5 s THR 47 Cb -0.05 -1.23 0.12 0.00 0.01 0.00 0.00 72.50 71.35 1wg5 s THR 47 CO -0.00 0.41 0.18 -0.76 -0.69 0.00 0.00 174.62 173.76 1wg5 s LEU 48 N 0.52 2.11 1.13 4.42 1.43 -1.26 -1.00 118.68 126.03 1wg5 s LEU 48 Ca -0.14 -2.14 -0.17 0.00 -1.03 0.00 0.00 54.13 50.65 1wg5 s LEU 48 Cb -0.16 -0.82 0.25 0.00 0.03 0.00 0.00 46.19 45.49 1wg5 s LEU 48 CO 0.05 -0.34 1.10 -2.16 0.23 0.00 0.00 176.35 175.23 1wg5 s PRO 49 N 1.01 -0.64 0.33 1.29 0.04 -1.26 -5.02 135.00 130.75 1wg5 s PRO 49 Ca 0.15 0.15 -0.02 0.00 0.04 0.00 0.00 61.00 61.32 1wg5 s PRO 49 Cb -0.21 -1.64 0.01 0.00 0.04 0.00 0.00 34.50 32.69 1wg5 s PRO 49 CO -0.10 -3.37 0.46 1.33 0.04 0.00 0.00 177.00 175.36 1wg5 n VAL 50 N -4.56 0.00 -2.26 -0.36 0.24 -1.26 -3.68 118.33 106.45 1wg5 n VAL 50 Ca 0.10 -1.68 -0.23 0.00 -2.04 0.00 0.00 64.34 60.49 1wg5 n VAL 50 Cb 0.59 1.03 0.14 0.00 -1.47 0.00 0.00 33.84 34.13 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 -1.66 0.74 0.29 -1.34 8.00 -0.25 -4.78 116.55 117.56 1wg5 n ASP 51 Ca 0.01 -1.78 0.19 0.00 0.71 0.00 0.00 54.79 53.91 1wg5 n ASP 51 Cb 0.55 -0.73 0.98 0.00 -0.02 0.00 0.00 41.12 41.90 1wg5 n ASP 51 CO 0.00 0.00 0.00 2.19 -0.39 0.00 0.00 177.20 179.00 1wg5 h PHE 52 N -1.07 0.00 0.00 1.24 -0.00 -2.02 0.20 116.94 115.29 1wg5 h PHE 52 Ca -0.34 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 57.63 1wg5 h PHE 52 Cb 1.10 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 37.05 1wg5 h PHE 52 CO 0.00 0.00 -1.13 1.04 -0.00 0.00 0.00 178.31 178.22 1wg5 n GLN 53 N -3.35 0.09 0.00 6.09 1.13 -1.26 -4.96 117.38 115.11 1wg5 n GLN 53 Ca -0.01 -0.03 0.00 0.00 -1.94 0.00 0.00 57.00 55.02 1wg5 n GLN 53 Cb 0.22 -1.50 0.00 0.00 0.11 0.00 0.00 30.24 29.07 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 1.47 1.03 3.59 1.08 0.00 0.69 -5.07 105.19 107.98 1wg5 n GLY 54 Ca 0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.24 3.83 0.12 1.61 0.52 -1.26 -4.57 118.95 118.96 1wg5 s ARG 55 Ca 0.00 0.27 -0.22 0.00 -0.52 0.00 0.00 55.73 55.26 1wg5 s ARG 55 Cb 0.00 -3.76 -0.13 0.00 0.52 0.00 0.00 34.95 31.58 1wg5 s ARG 55 CO 0.00 -0.67 0.45 -1.13 0.02 0.00 0.00 175.30 173.97 1wg5 n SER 56 N 6.04 -0.77 -1.34 0.23 3.41 -1.26 -1.09 113.62 118.84 1wg5 n SER 56 Ca 0.00 0.83 0.09 0.00 -0.26 0.00 0.00 58.87 59.53 1wg5 n SER 56 Cb 0.49 -0.69 0.30 0.00 -0.26 0.00 0.00 64.21 64.04 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 0.18 1.33 -1.03 6.66 -2.24 -1.24 -4.73 114.28 113.21 1wg5 n THR 57 Ca 0.13 -0.96 -0.01 0.00 -2.27 0.00 0.00 64.05 60.94 1wg5 n THR 57 Cb 0.16 0.19 -0.00 0.00 -2.10 0.00 0.00 70.33 68.58 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 1.21 0.35 3.60 3.38 0.00 -1.26 -4.86 105.19 107.61 1wg5 n GLY 58 Ca 0.22 -0.06 -0.28 0.00 0.00 0.00 0.00 46.02 45.90 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 -1.16 2.19 -0.05 1.61 2.02 -1.26 -0.89 118.70 121.16 1wg5 s GLU 59 Ca 0.00 -1.11 -0.30 0.00 0.02 0.00 0.00 54.97 53.59 1wg5 s GLU 59 Cb 0.00 -2.29 0.07 0.00 0.10 0.00 0.00 34.13 32.01 1wg5 s GLU 59 CO 0.00 0.48 0.66 0.00 0.02 0.00 0.00 175.26 176.42 1wg5 s ALA 60 N -1.48 -1.71 -0.14 5.21 0.00 -1.01 -4.27 121.76 118.35 1wg5 s ALA 60 Ca 0.24 1.28 -0.00 0.00 0.00 0.00 0.00 51.96 53.48 1wg5 s ALA 60 Cb -0.10 -0.03 0.03 0.00 0.00 0.00 0.00 23.12 23.03 1wg5 s ALA 60 CO 0.15 -0.36 -0.07 -0.06 0.00 0.00 0.00 175.76 175.42 1wg5 s PHE 61 N -1.16 1.69 -0.07 0.00 0.08 -0.17 0.25 117.98 118.61 1wg5 s PHE 61 Ca -0.11 -0.98 0.01 0.00 0.12 0.00 0.00 56.93 55.97 1wg5 s PHE 61 Cb -0.00 -1.32 -0.03 0.00 -0.57 0.00 0.00 43.02 41.09 1wg5 s PHE 61 CO 0.09 -0.59 -0.08 0.08 -0.10 0.00 0.00 175.22 174.63 1wg5 s VAL 62 N 1.64 3.61 -0.37 -0.44 1.01 0.02 -0.59 120.40 125.27 1wg5 s VAL 62 Ca 0.03 -0.51 -0.02 0.00 0.00 0.00 0.00 61.98 61.48 1wg5 s VAL 62 Cb -0.14 -2.47 0.09 0.00 0.00 0.00 0.00 36.38 33.86 1wg5 s VAL 62 CO -0.08 0.59 0.14 -1.58 0.00 0.00 0.00 175.10 174.17 1wg5 s GLN 63 N -0.72 2.04 0.76 2.72 0.74 0.60 -0.35 119.66 125.45 1wg5 s GLN 63 Ca 0.11 -1.69 -0.11 0.00 0.05 0.00 0.00 55.36 53.72 1wg5 s GLN 63 Cb -0.11 -3.45 0.05 0.00 1.10 0.00 0.00 33.01 30.60 1wg5 s GLN 63 CO 0.01 -0.95 1.08 -0.06 -0.55 0.00 0.00 175.29 174.83 1wg5 s PHE 64 N 1.14 2.74 0.61 1.67 0.08 -0.36 -2.95 117.98 120.91 1wg5 s PHE 64 Ca 0.05 1.46 0.30 0.00 0.12 0.00 0.00 56.93 58.87 1wg5 s PHE 64 Cb -0.22 -3.01 1.66 0.00 -0.57 0.00 0.00 43.02 40.89 1wg5 s PHE 64 CO -0.04 -1.67 2.02 0.00 -0.10 0.00 0.00 175.22 175.43 1wg5 h ALA 65 N -1.04 1.73 -1.89 5.36 0.00 -1.74 -3.42 119.26 118.27 1wg5 h ALA 65 Ca -0.44 -0.01 0.25 0.00 0.00 0.00 0.00 54.91 54.71 1wg5 h ALA 65 Cb 1.23 0.01 -0.10 0.00 0.00 0.00 0.00 17.79 18.94 1wg5 h ALA 65 CO 0.54 -0.39 0.66 0.45 0.00 0.00 0.00 179.25 180.50 1wg5 s SER 66 N -5.26 -0.12 0.12 0.00 0.15 -1.24 -4.98 113.70 102.39 1wg5 s SER 66 Ca -0.04 -0.27 -0.18 0.00 0.70 0.00 0.00 55.95 56.16 1wg5 s SER 66 Cb 0.14 0.32 -0.04 0.00 -1.71 0.00 0.00 66.02 64.73 1wg5 s SER 66 CO 0.47 -0.60 1.73 -0.61 1.20 0.00 0.00 173.24 175.44 1wg5 h GLN 67 N 2.00 0.39 -1.12 5.44 -0.00 -1.86 -2.07 115.11 117.89 1wg5 h GLN 67 Ca -0.27 -0.04 0.32 0.00 -0.00 0.00 0.00 58.65 58.66 1wg5 h GLN 67 Cb 1.22 -0.08 -0.06 0.00 0.00 0.00 0.00 27.48 28.56 1wg5 h GLN 67 CO 0.27 0.32 0.79 1.05 0.00 0.00 0.00 178.83 181.26 1wg5 h GLU 68 N 0.35 0.10 0.07 1.69 4.11 -1.96 0.47 114.58 119.40 1wg5 h GLU 68 Ca 0.10 -0.01 -0.27 0.00 0.07 0.00 0.00 59.36 59.25 1wg5 h GLU 68 Cb 0.04 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.26 1wg5 h GLU 68 CO -0.02 0.06 -1.35 0.82 0.07 0.00 0.00 179.01 178.60 1wg5 h ILE 69 N 0.10 1.34 -0.10 -1.06 2.04 -1.80 -3.33 117.51 114.69 1wg5 h ILE 69 Ca 0.56 -3.01 -0.00 0.00 1.00 0.00 0.00 64.86 63.41 1wg5 h ILE 69 Cb 2.03 2.78 -0.00 0.00 -0.74 0.00 0.00 36.82 40.88 1wg5 h ILE 69 CO -0.09 0.83 0.05 0.00 0.00 0.00 0.00 178.15 178.95 1wg5 h ALA 70 N 0.71 0.13 -0.64 1.87 0.00 0.52 -2.92 119.26 118.93 1wg5 h ALA 70 Ca -0.16 -0.06 0.13 0.00 0.00 0.00 0.00 54.91 54.82 1wg5 h ALA 70 Cb 1.94 -0.04 -0.10 0.00 0.00 0.00 0.00 17.79 19.59 1wg5 h ALA 70 CO 0.15 -0.33 0.08 0.93 0.00 0.00 0.00 179.25 180.08 1wg5 h GLU 71 N 0.05 0.18 -0.78 0.00 5.08 -1.42 0.24 114.58 117.93 1wg5 h GLU 71 Ca 0.03 -0.01 0.13 0.00 -1.00 0.00 0.00 59.36 58.51 1wg5 h GLU 71 Cb 0.10 -0.04 -0.05 0.00 0.50 0.00 0.00 28.75 29.25 1wg5 h GLU 71 CO -0.00 0.12 0.51 0.87 -1.00 0.00 0.00 179.01 179.51 1wg5 h LYS 72 N 0.19 0.56 0.02 2.33 1.57 -1.63 -0.31 116.57 119.30 1wg5 h LYS 72 Ca 0.34 -0.03 -0.21 0.00 -1.87 0.00 0.00 60.65 58.88 1wg5 h LYS 72 Cb 0.55 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.72 1wg5 h LYS 72 CO -0.49 0.37 -0.98 0.00 -0.57 0.00 0.00 179.45 177.78 1wg5 h ALA 73 N 1.63 0.40 -0.95 3.86 0.00 -0.51 -3.27 119.26 120.41 1wg5 h ALA 73 Ca 0.38 -0.84 0.12 0.00 0.00 0.00 0.00 54.91 54.57 1wg5 h ALA 73 Cb 0.66 -0.11 -0.08 0.00 0.00 0.00 0.00 17.79 18.26 1wg5 h ALA 73 CO -0.14 1.10 0.61 -0.07 0.00 0.00 0.00 179.25 180.74 1wg5 h LEU 74 N 0.03 0.83 -2.79 0.00 3.38 0.90 0.26 115.31 117.92 1wg5 h LEU 74 Ca -0.04 0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1wg5 h LEU 74 Cb 1.69 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 42.31 1wg5 h LEU 74 CO 0.14 0.44 0.00 0.11 0.09 0.00 0.00 178.44 179.22 1wg5 h LYS 75 N 0.89 0.00 -1.38 1.13 1.79 -1.57 -2.30 116.57 115.14 1wg5 h LYS 75 Ca 0.47 0.00 -0.12 0.00 -2.18 0.00 0.00 60.65 58.82 1wg5 h LYS 75 Cb 0.54 0.00 -0.06 0.00 -1.58 0.00 0.00 32.23 31.13 1wg5 h LYS 75 CO -0.23 0.00 0.15 1.63 -1.08 0.00 0.00 179.45 179.92 1wg5 n LYS 76 N -3.01 1.29 -2.28 3.15 5.02 0.91 -4.92 118.16 118.32 1wg5 n LYS 76 Ca -0.03 -0.62 -0.33 0.00 -2.02 0.00 0.00 58.31 55.31 1wg5 n LYS 76 Cb 0.08 -1.24 -0.01 0.00 -0.02 0.00 0.00 35.03 33.83 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 -0.70 2.96 0.00 2.13 2.46 -0.87 -3.04 115.29 118.24 1wg5 s HIS 77 Ca 0.12 1.54 0.00 0.00 0.47 0.00 0.00 55.06 57.19 1wg5 s HIS 77 Cb 0.10 -3.06 0.00 0.00 -0.13 0.00 0.00 32.58 29.49 1wg5 s HIS 77 CO 0.01 -1.03 0.00 1.63 -2.47 0.00 0.00 174.74 172.88 1wg5 n LYS 78 N -1.51 -1.72 -2.23 2.88 4.76 0.40 -4.90 118.16 115.84 1wg5 n LYS 78 Ca 0.09 0.43 -0.43 0.00 -2.87 0.00 0.00 58.31 55.53 1wg5 n LYS 78 Cb 0.53 -4.83 -0.02 0.00 -1.84 0.00 0.00 35.03 28.86 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 -1.80 3.78 0.34 1.97 0.41 -0.86 -3.92 118.70 118.63 1wg5 s GLU 79 Ca 0.00 1.43 -0.23 0.00 -0.41 0.00 0.00 54.97 55.76 1wg5 s GLU 79 Cb 0.00 -3.99 -0.10 0.00 -1.78 0.00 0.00 34.13 28.26 1wg5 s GLU 79 CO 0.00 -1.31 0.91 -0.98 -0.49 0.00 0.00 175.26 173.39 1wg5 s ARG 80 N 4.61 4.41 -0.55 1.61 1.04 -1.26 -1.08 118.95 127.73 1wg5 s ARG 80 Ca 0.66 1.17 0.04 0.00 -1.04 0.00 0.00 55.73 56.56 1wg5 s ARG 80 Cb -0.21 -2.60 0.14 0.00 -2.04 0.00 0.00 34.95 30.24 1wg5 s ARG 80 CO 0.28 0.19 0.30 0.42 -0.04 0.00 0.00 175.30 176.46 1wg5 s ILE 81 N -1.79 2.70 0.00 4.99 1.01 -0.91 -4.83 121.20 122.36 1wg5 s ILE 81 Ca 0.53 -3.45 0.00 0.00 0.00 0.00 0.00 60.65 57.73 1wg5 s ILE 81 Cb -0.15 -2.85 0.00 0.00 0.01 0.00 0.00 42.46 39.47 1wg5 s ILE 81 CO 0.20 -0.83 0.00 0.61 0.00 0.00 0.00 174.94 174.91 1wg5 n GLY 82 N 2.95 2.58 2.01 6.18 0.00 -1.26 -4.30 105.19 113.36 1wg5 n GLY 82 Ca 0.07 -0.58 -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 -0.20 -3.15 1.61 1.44 -1.26 -5.12 115.22 108.53 1wg5 n HIS 83 Ca 0.00 -0.34 0.05 0.00 -2.01 0.00 0.00 57.72 55.42 1wg5 n HIS 83 Cb 0.00 0.84 -0.01 0.00 0.12 0.00 0.00 29.99 30.94 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 0.42 0.34 -1.40 1.81 -1.26 -5.03 118.95 113.84 1wg5 s ARG 84 Ca 0.01 0.72 -0.28 0.00 -1.72 0.00 0.00 55.73 54.46 1wg5 s ARG 84 Cb 0.04 0.40 -0.12 0.00 -0.45 0.00 0.00 34.95 34.81 1wg5 s ARG 84 CO -0.01 -0.47 1.29 0.66 -0.68 0.00 0.00 175.30 176.09 1wg5 n TYR 85 N 5.44 2.29 -4.66 -0.53 4.01 -1.26 -2.13 117.16 120.32 1wg5 n TYR 85 Ca -0.03 0.55 -0.33 0.00 -0.16 0.00 0.00 57.90 57.93 1wg5 n TYR 85 Cb 0.52 -2.42 -0.13 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 -1.10 3.35 -0.35 -0.72 -1.09 -0.24 -4.57 121.20 116.49 1wg5 s ILE 86 Ca 0.56 -0.56 -0.11 0.00 -2.23 0.00 0.00 60.65 58.31 1wg5 s ILE 86 Cb -0.56 -2.42 0.00 0.00 -1.58 0.00 0.00 42.46 37.90 1wg5 s ILE 86 CO 0.62 0.52 0.20 -1.61 -1.23 0.00 0.00 174.94 173.44 1wg5 s GLU 87 N 0.25 3.16 -0.14 2.79 2.02 0.12 0.15 118.70 127.05 1wg5 s GLU 87 Ca -0.07 -0.85 -0.10 0.00 0.02 0.00 0.00 54.97 53.97 1wg5 s GLU 87 Cb -0.15 -3.70 -0.05 0.00 0.10 0.00 0.00 34.13 30.34 1wg5 s GLU 87 CO 0.04 -0.54 0.19 0.42 0.02 0.00 0.00 175.26 175.39 1wg5 s ILE 88 N 1.62 5.40 -0.12 -1.63 1.01 -1.26 0.09 121.20 126.31 1wg5 s ILE 88 Ca 0.04 0.32 -0.04 0.00 0.00 0.00 0.00 60.65 60.97 1wg5 s ILE 88 Cb -0.18 -3.49 0.06 0.00 0.01 0.00 0.00 42.46 38.86 1wg5 s ILE 88 CO 0.07 0.52 0.13 -0.36 0.00 0.00 0.00 174.94 175.31 1wg5 s PHE 89 N -0.32 -0.06 0.11 3.97 0.08 0.45 -4.90 117.98 117.31 1wg5 s PHE 89 Ca 0.14 0.25 -0.34 0.00 0.12 0.00 0.00 56.93 57.09 1wg5 s PHE 89 Cb -0.12 -0.43 -0.18 0.00 -0.57 0.00 0.00 43.02 41.72 1wg5 s PHE 89 CO 0.03 -0.37 0.83 1.17 -0.10 0.00 0.00 175.22 176.77 1wg5 n LYS 90 N 5.31 0.10 -2.57 0.44 0.00 -1.26 -1.04 118.16 119.14 1wg5 n LYS 90 Ca -0.05 0.04 -0.05 0.00 0.00 0.00 0.00 58.31 58.25 1wg5 n LYS 90 Cb 0.50 -1.31 -0.02 0.00 0.00 0.00 0.00 35.03 34.20 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 1.77 -0.16 -4.09 3.14 2.88 -1.08 -4.70 113.62 111.37 1wg5 n SER 91 Ca 0.19 -1.56 -0.07 0.00 -1.33 0.00 0.00 58.87 56.09 1wg5 n SER 91 Cb 0.17 0.43 -0.10 0.00 -0.75 0.00 0.00 64.21 63.96 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 -1.60 0.53 0.10 -3.46 0.01 -1.26 -3.84 113.70 104.17 1wg5 s SER 92 Ca 0.10 -0.98 -0.31 0.00 1.31 0.00 0.00 55.95 56.07 1wg5 s SER 92 Cb 0.00 0.19 -0.13 0.00 0.21 0.00 0.00 66.02 66.29 1wg5 s SER 92 CO 0.07 -0.58 1.61 -0.09 0.41 0.00 0.00 173.24 174.66 1wg5 h ARG 93 N 3.21 -0.71 -0.90 12.44 9.65 -1.95 -2.12 114.38 134.00 1wg5 h ARG 93 Ca -0.34 0.05 0.25 0.00 -1.10 0.00 0.00 59.98 58.83 1wg5 h ARG 93 Cb 1.15 0.16 -0.15 0.00 -1.39 0.00 0.00 29.97 29.74 1wg5 h ARG 93 CO 0.65 -0.47 0.19 0.00 2.80 0.00 0.00 179.97 183.14 1wg5 h ALA 94 N -0.28 1.26 0.36 2.80 0.00 -1.98 0.17 119.26 121.58 1wg5 h ALA 94 Ca -0.02 0.25 -0.02 0.00 0.00 0.00 0.00 54.91 55.12 1wg5 h ALA 94 Cb 0.67 0.38 0.00 0.00 0.00 0.00 0.00 17.79 18.85 1wg5 h ALA 94 CO -0.09 -0.51 -0.17 0.93 0.00 0.00 0.00 179.25 179.41 1wg5 h GLU 95 N 0.15 -0.47 -4.42 0.00 5.08 -1.85 -3.43 114.58 109.65 1wg5 h GLU 95 Ca 0.57 0.03 -0.59 0.00 -1.00 0.00 0.00 59.36 58.37 1wg5 h GLU 95 Cb 1.16 0.11 -0.02 0.00 0.50 0.00 0.00 28.75 30.50 1wg5 h GLU 95 CO -0.72 -0.30 0.85 0.28 -1.00 0.00 0.00 179.01 178.12 1wg5 n VAL 96 N -5.29 0.00 -0.84 3.13 0.31 0.04 -4.81 118.33 110.87 1wg5 n VAL 96 Ca -0.11 0.00 -0.36 0.00 -0.01 0.00 0.00 64.34 63.87 1wg5 n VAL 96 Cb 0.21 -0.37 0.10 0.00 -0.91 0.00 0.00 33.84 32.87 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 4.85 -0.76 -1.28 5.55 3.00 -1.26 -4.97 116.66 121.79 1wg5 n ARG 97 Ca 0.36 -0.21 -0.01 0.00 -0.01 0.00 0.00 57.85 57.98 1wg5 n ARG 97 Cb -0.03 -1.35 0.01 0.00 0.00 0.00 0.00 32.46 31.09 1wg5 n ARG 97 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.63 175.26 1wg5 n THR 98 N -3.90 0.00 -1.25 0.55 5.66 -1.26 -5.12 114.28 108.96 1wg5 n THR 98 Ca -0.01 -0.12 0.15 0.00 -3.05 0.00 0.00 64.05 61.03 1wg5 n THR 98 Cb 0.68 0.40 -0.08 0.00 -1.55 0.00 0.00 70.33 69.79 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 -0.19 -7.00 0.00 1.09 7.64 -1.26 -5.08 113.62 108.82 1wg5 n SER 99 Ca -0.04 1.16 0.00 0.00 1.01 0.00 0.00 58.87 61.00 1wg5 n SER 99 Cb 0.48 -4.23 0.00 0.00 -1.01 0.00 0.00 64.21 59.45 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 -4.04 2.71 3.56 0.23 0.00 -1.26 -4.93 105.19 101.46 1wg5 n GLY 100 Ca -0.07 -1.99 -0.28 0.00 0.00 0.00 0.00 46.02 43.68 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 -2.74 2.57 0.88 1.61 0.04 -1.26 -4.97 135.00 131.12 1wg5 s PRO 101 Ca 0.00 -0.16 -0.12 0.00 0.04 0.00 0.00 61.00 60.76 1wg5 s PRO 101 Cb 0.00 -4.97 0.12 0.00 0.04 0.00 0.00 34.50 29.69 1wg5 s PRO 101 CO 0.00 -3.29 1.10 0.45 0.04 0.00 0.00 177.00 175.30 1wg5 s SER 102 N 8.04 3.70 0.10 6.66 0.15 -1.26 -5.07 113.70 126.02 1wg5 s SER 102 Ca 0.70 1.34 0.10 0.00 0.70 0.00 0.00 55.95 58.79 1wg5 s SER 102 Cb -0.08 -2.03 -0.04 0.00 -1.71 0.00 0.00 66.02 62.17 1wg5 s SER 102 CO 0.02 -2.48 -0.27 -0.44 1.20 0.00 0.00 173.24 171.28 1wg5 s SER 103 N -3.64 3.29 0.00 5.45 0.01 -1.26 -5.29 113.70 112.27 1wg5 s SER 103 Ca 0.63 -0.69 0.00 0.00 1.31 0.00 0.00 55.95 57.19 1wg5 s SER 103 Cb -0.17 -0.25 0.00 0.00 0.21 0.00 0.00 66.02 65.81 1wg5 s SER 103 CO 0.56 0.20 0.00 0.61 0.41 0.00 0.00 173.24 175.02