#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 0.00 -0.82 1.61 7.64 -1.26 -4.91 113.62 115.89 1wg5 n SER 2 Ca 0.00 0.00 0.10 0.00 1.01 0.00 0.00 58.87 59.98 1wg5 n SER 2 Cb 0.00 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 63.15 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 2.64 -4.68 0.00 6.43 2.88 -1.26 -5.09 113.62 114.54 1wg5 n SER 3 Ca 0.00 0.71 0.00 0.00 -1.33 0.00 0.00 58.87 58.25 1wg5 n SER 3 Cb 0.00 -2.74 0.00 0.00 -0.75 0.00 0.00 64.21 60.72 1wg5 n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wg5 n GLY 4 N -3.43 3.71 3.17 0.46 0.00 -1.26 -5.17 105.19 102.68 1wg5 n GLY 4 Ca -0.04 -0.45 0.05 0.00 0.00 0.00 0.00 46.02 45.58 1wg5 n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wg5 s SER 5 N 0.00 -0.25 -0.23 1.61 0.15 -1.26 -5.16 113.70 108.57 1wg5 s SER 5 Ca 0.00 0.19 -0.08 0.00 0.70 0.00 0.00 55.95 56.77 1wg5 s SER 5 Cb 0.00 1.22 0.10 0.00 -1.71 0.00 0.00 66.02 65.63 1wg5 s SER 5 CO 0.00 -0.05 0.48 -0.94 1.20 0.00 0.00 173.24 173.94 1wg5 s SER 6 N 2.78 -0.50 0.00 5.45 1.04 -1.26 -5.17 113.70 116.04 1wg5 s SER 6 Ca -0.05 1.15 0.00 0.00 0.48 0.00 0.00 55.95 57.54 1wg5 s SER 6 Cb -0.08 1.61 0.00 0.00 0.10 0.00 0.00 66.02 67.65 1wg5 s SER 6 CO -0.11 -0.23 0.00 0.61 0.98 0.00 0.00 173.24 174.50 1wg5 n GLY 7 N 5.39 0.51 1.86 7.32 0.00 -1.26 -4.99 105.19 114.02 1wg5 n GLY 7 Ca -0.10 -1.74 0.00 0.00 0.00 0.00 0.00 46.02 44.19 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 0.00 -8.57 -3.97 1.61 3.02 -1.26 -4.92 115.26 101.17 1wg5 n ASN 8 Ca 0.00 1.26 -0.31 0.00 -0.03 0.00 0.00 54.58 55.50 1wg5 n ASN 8 Cb 0.00 -4.67 -0.10 0.00 -0.61 0.00 0.00 39.78 34.39 1wg5 n ASN 8 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 1wg5 s SER 9 N -1.01 5.17 1.05 6.41 0.01 -1.26 -5.09 113.70 118.98 1wg5 s SER 9 Ca 0.00 -3.77 -0.14 0.00 1.31 0.00 0.00 55.95 53.35 1wg5 s SER 9 Cb 0.00 -1.72 0.21 0.00 0.21 0.00 0.00 66.02 64.72 1wg5 s SER 9 CO 0.00 -0.12 1.09 -2.16 0.41 0.00 0.00 173.24 172.46 1wg5 s PRO 10 N -1.36 0.05 -1.24 12.44 0.04 -1.26 -4.88 135.00 138.78 1wg5 s PRO 10 Ca 0.25 0.40 -0.20 0.00 0.04 0.00 0.00 61.00 61.49 1wg5 s PRO 10 Cb -0.06 -1.70 -0.02 0.00 0.04 0.00 0.00 34.50 32.76 1wg5 s PRO 10 CO -0.15 -2.96 1.85 -3.47 0.04 0.00 0.00 177.00 172.31 1wg5 n ASP 11 N -4.32 3.94 -3.65 6.66 2.03 -1.26 -4.80 116.55 115.16 1wg5 n ASP 11 Ca 0.06 -2.80 -0.04 0.00 0.52 0.00 0.00 54.79 52.53 1wg5 n ASP 11 Cb 0.58 -1.74 -0.07 0.00 -0.72 0.00 0.00 41.12 39.17 1wg5 n ASP 11 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 1wg5 s THR 12 N 7.80 0.00 0.00 5.18 -1.32 -1.26 -5.15 115.64 120.89 1wg5 s THR 12 Ca 0.61 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 61.09 1wg5 s THR 12 Cb 0.02 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 70.01 1wg5 s THR 12 CO 0.11 0.00 0.00 0.00 -2.21 0.00 0.00 174.62 172.52 1wg5 n ALA 13 N 2.18 0.00 -2.95 11.08 0.00 -1.26 -4.93 120.51 124.62 1wg5 n ALA 13 Ca -0.13 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.31 1wg5 n ALA 13 Cb 0.57 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 20.02 1wg5 n ALA 13 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1wg5 n ASN 14 N -3.66 -7.30 -0.01 0.00 4.13 -1.26 -4.98 115.26 102.18 1wg5 n ASN 14 Ca 0.00 0.93 -0.01 0.00 1.68 0.00 0.00 54.58 57.19 1wg5 n ASN 14 Cb 0.00 -3.50 -0.01 0.00 -1.54 0.00 0.00 39.78 34.73 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 1.00 4.35 0.00 6.41 8.00 -1.26 -4.78 116.55 130.28 1wg5 n ASP 15 Ca -0.00 -0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 1wg5 n ASP 15 Cb 0.25 0.26 0.00 0.00 -0.02 0.00 0.00 41.12 41.61 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 3.18 1.79 3.80 0.44 0.00 -1.26 -3.58 105.19 109.56 1wg5 n GLY 16 Ca -0.02 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.67 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 3.02 -0.04 1.61 0.08 -1.25 -2.23 117.98 117.17 1wg5 s PHE 17 Ca 0.00 1.53 -0.03 0.00 0.12 0.00 0.00 56.93 58.55 1wg5 s PHE 17 Cb 0.00 -3.02 0.01 0.00 -0.57 0.00 0.00 43.02 39.44 1wg5 s PHE 17 CO 0.00 -0.96 0.10 0.14 -0.10 0.00 0.00 175.22 174.39 1wg5 s VAL 18 N -2.28 -0.01 -0.14 -0.44 -7.23 0.55 -2.20 120.40 108.66 1wg5 s VAL 18 Ca 0.65 0.03 -0.06 0.00 -1.81 0.00 0.00 61.98 60.79 1wg5 s VAL 18 Cb -0.16 -0.15 -0.04 0.00 0.56 0.00 0.00 36.38 36.60 1wg5 s VAL 18 CO 0.30 0.01 0.07 -0.60 -0.31 0.00 0.00 175.10 174.57 1wg5 s ARG 19 N 0.21 3.58 0.04 4.82 3.52 0.07 -1.24 118.95 129.96 1wg5 s ARG 19 Ca -0.01 -0.30 0.05 0.00 -0.13 0.00 0.00 55.73 55.34 1wg5 s ARG 19 Cb -0.02 -3.10 -0.03 0.00 -1.56 0.00 0.00 34.95 30.23 1wg5 s ARG 19 CO -0.01 0.52 -0.12 -0.51 -0.81 0.00 0.00 175.30 174.37 1wg5 s LEU 20 N -0.32 2.93 -0.05 -0.88 1.43 0.24 -0.04 118.68 121.99 1wg5 s LEU 20 Ca 0.09 -0.30 -0.02 0.00 -1.03 0.00 0.00 54.13 52.87 1wg5 s LEU 20 Cb -0.12 -1.71 0.04 0.00 0.03 0.00 0.00 46.19 44.43 1wg5 s LEU 20 CO 0.02 0.25 0.09 -0.13 0.23 0.00 0.00 176.35 176.81 1wg5 s ARG 21 N -1.56 -0.02 0.00 1.70 0.52 0.13 -2.96 118.95 116.77 1wg5 s ARG 21 Ca 0.17 0.39 0.00 0.00 -0.52 0.00 0.00 55.73 55.76 1wg5 s ARG 21 Cb -0.11 -0.34 0.00 0.00 0.52 0.00 0.00 34.95 35.02 1wg5 s ARG 21 CO 0.08 -0.27 0.00 0.41 0.02 0.00 0.00 175.30 175.54 1wg5 n GLY 22 N 4.91 1.18 3.77 -3.53 0.00 0.04 0.07 105.19 111.63 1wg5 n GLY 22 Ca -0.12 0.00 -0.37 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 4.13 1.09 0.99 1.43 -0.90 -4.37 118.68 121.05 1wg5 s LEU 23 Ca 0.00 2.24 -0.15 0.00 -1.03 0.00 0.00 54.13 55.19 1wg5 s LEU 23 Cb 0.00 -4.13 0.23 0.00 0.03 0.00 0.00 46.19 42.32 1wg5 s LEU 23 CO 0.00 -0.69 1.10 -2.16 0.23 0.00 0.00 176.35 174.83 1wg5 s PRO 24 N -2.46 -0.31 0.04 1.29 0.04 -1.26 -4.68 135.00 127.66 1wg5 s PRO 24 Ca 0.59 0.26 -0.30 0.00 0.04 0.00 0.00 61.00 61.58 1wg5 s PRO 24 Cb -0.28 -1.67 -0.07 0.00 0.04 0.00 0.00 34.50 32.52 1wg5 s PRO 24 CO 0.34 -3.17 1.56 -0.06 0.04 0.00 0.00 177.00 175.72 1wg5 s PHE 25 N -2.99 2.56 -0.27 0.56 0.08 -1.26 -2.15 117.98 114.51 1wg5 s PHE 25 Ca 0.68 0.49 0.00 0.00 0.12 0.00 0.00 56.93 58.22 1wg5 s PHE 25 Cb -0.15 -3.85 0.00 0.00 -0.57 0.00 0.00 43.02 38.45 1wg5 s PHE 25 CO 0.57 -3.36 0.00 0.41 -0.10 0.00 0.00 175.22 172.74 1wg5 n GLY 26 N 3.88 0.54 3.67 4.36 0.00 -1.26 -4.98 105.19 111.40 1wg5 n GLY 26 Ca 0.15 -0.95 -0.42 0.00 0.00 0.00 0.00 46.02 44.80 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 3.25 0.22 0.23 0.00 0.01 -1.26 -5.01 113.70 111.15 1wg5 s SER 28 Ca 0.77 -1.36 -0.11 0.00 1.31 0.00 0.00 55.95 56.56 1wg5 s SER 28 Cb -0.38 0.42 0.32 0.00 0.21 0.00 0.00 66.02 66.59 1wg5 s SER 28 CO 0.33 -0.89 1.61 0.11 0.41 0.00 0.00 173.24 174.81 1wg5 h LYS 29 N 2.55 0.01 -1.08 12.44 1.57 -1.97 0.33 116.57 130.42 1wg5 h LYS 29 Ca -0.34 -0.00 0.40 0.00 -1.87 0.00 0.00 60.65 58.84 1wg5 h LYS 29 Cb 1.25 -0.00 -0.16 0.00 0.08 0.00 0.00 32.23 33.39 1wg5 h LYS 29 CO 0.50 0.01 0.62 0.93 -0.57 0.00 0.00 179.45 180.94 1wg5 h GLU 30 N 0.02 0.10 0.08 3.15 5.08 -1.97 0.94 114.58 121.97 1wg5 h GLU 30 Ca 0.36 -0.01 -0.29 0.00 -1.00 0.00 0.00 59.36 58.42 1wg5 h GLU 30 Cb 0.57 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.78 1wg5 h GLU 30 CO -0.74 0.06 -1.51 0.93 -1.00 0.00 0.00 179.01 176.75 1wg5 h GLU 31 N 0.10 0.17 0.56 2.33 4.39 -0.79 -3.36 114.58 117.98 1wg5 h GLU 31 Ca 0.82 -0.30 -0.03 0.00 0.34 0.00 0.00 59.36 60.19 1wg5 h GLU 31 Cb 2.19 0.11 0.01 0.00 -0.10 0.00 0.00 28.75 30.96 1wg5 h GLU 31 CO -0.65 1.00 -0.27 0.82 -1.16 0.00 0.00 179.01 178.75 1wg5 h ILE 32 N 0.05 0.00 -0.71 3.13 2.04 0.19 -1.42 117.51 120.79 1wg5 h ILE 32 Ca -0.23 -0.33 0.22 0.00 1.00 0.00 0.00 64.86 65.53 1wg5 h ILE 32 Cb 1.98 0.00 -0.13 0.00 -0.74 0.00 0.00 36.82 37.93 1wg5 h ILE 32 CO 0.14 0.00 0.11 0.52 0.00 0.00 0.00 178.15 178.92 1wg5 n VAL 33 N -4.94 -0.30 0.05 1.67 0.31 0.16 0.22 118.33 115.49 1wg5 n VAL 33 Ca -0.09 1.53 -0.20 0.00 -0.01 0.00 0.00 64.34 65.57 1wg5 n VAL 33 Cb 0.30 -2.30 -0.11 0.00 -0.91 0.00 0.00 33.84 30.82 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 0.65 -0.15 5.55 1.08 -1.70 -3.17 115.11 117.37 1wg5 h GLN 34 Ca 0.48 -0.73 0.04 0.00 -1.45 0.00 0.00 58.65 56.99 1wg5 h GLN 34 Cb 1.08 0.21 -0.01 0.00 -0.05 0.00 0.00 27.48 28.72 1wg5 h GLN 34 CO -0.64 1.31 0.32 0.35 -0.95 0.00 0.00 178.83 179.23 1wg5 h PHE 35 N 0.29 0.00 -0.73 2.96 3.57 0.37 0.20 116.94 123.61 1wg5 h PHE 35 Ca -0.13 0.00 -0.46 0.00 3.53 0.00 0.00 57.97 60.90 1wg5 h PHE 35 Cb 1.68 0.00 -0.27 0.00 2.79 0.00 0.00 35.95 40.16 1wg5 h PHE 35 CO 0.11 0.00 0.13 1.19 -2.23 0.00 0.00 178.31 177.52 1wg5 n PHE 36 N -3.29 2.40 -1.51 0.41 3.72 -0.45 -5.04 117.46 113.68 1wg5 n PHE 36 Ca 0.01 -2.21 -0.43 0.00 -0.05 0.00 0.00 57.45 54.78 1wg5 n PHE 36 Cb 0.42 -0.81 0.00 0.00 -0.94 0.00 0.00 39.48 38.16 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 -0.97 0.05 0.00 4.37 3.41 0.70 -1.08 113.62 120.09 1wg5 n SER 37 Ca 0.48 1.01 0.00 0.00 -0.26 0.00 0.00 58.87 60.11 1wg5 n SER 37 Cb 1.01 -1.19 0.00 0.00 -0.26 0.00 0.00 64.21 63.76 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 1.54 2.81 3.91 5.00 0.00 -1.26 -5.00 105.19 112.20 1wg5 n GLY 38 Ca 0.11 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.85 1wg5 n GLY 38 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1wg5 s LEU 39 N 0.00 4.02 -0.18 0.99 1.43 -0.24 -5.09 118.68 119.61 1wg5 s LEU 39 Ca 0.00 0.69 -0.03 0.00 -1.03 0.00 0.00 54.13 53.76 1wg5 s LEU 39 Cb 0.00 -3.52 -0.02 0.00 0.03 0.00 0.00 46.19 42.68 1wg5 s LEU 39 CO 0.00 -0.23 -0.05 -0.70 0.23 0.00 0.00 176.35 175.60 1wg5 s GLU 40 N -3.73 3.51 0.17 1.70 2.12 -1.26 -5.01 118.70 116.19 1wg5 s GLU 40 Ca 0.44 -0.58 0.11 0.00 0.36 0.00 0.00 54.97 55.29 1wg5 s GLU 40 Cb -0.10 -2.93 -0.04 0.00 0.26 0.00 0.00 34.13 31.31 1wg5 s GLU 40 CO 0.32 0.04 -0.24 0.42 -0.54 0.00 0.00 175.26 175.26 1wg5 s ILE 41 N 0.87 2.41 0.46 -3.70 1.01 -1.26 -2.33 121.20 118.66 1wg5 s ILE 41 Ca -0.01 -1.88 -0.21 0.00 0.00 0.00 0.00 60.65 58.55 1wg5 s ILE 41 Cb -0.15 -2.13 -0.09 0.00 0.01 0.00 0.00 42.46 40.10 1wg5 s ILE 41 CO 0.01 -0.03 1.01 0.68 0.00 0.00 0.00 174.94 176.61 1wg5 s VAL 42 N -1.43 4.00 0.02 2.92 -7.23 -1.11 -4.80 120.40 112.78 1wg5 s VAL 42 Ca 0.19 1.25 -0.30 0.00 -1.81 0.00 0.00 61.98 61.30 1wg5 s VAL 42 Cb -0.09 -3.51 -0.06 0.00 0.56 0.00 0.00 36.38 33.28 1wg5 s VAL 42 CO 0.09 -0.27 1.44 -2.16 -0.31 0.00 0.00 175.10 173.89 1wg5 s PRO 43 N -3.20 4.27 -0.94 4.82 0.04 -1.26 -2.54 135.00 136.19 1wg5 s PRO 43 Ca 0.65 2.03 0.00 0.00 0.04 0.00 0.00 61.00 63.72 1wg5 s PRO 43 Cb -0.14 -3.55 0.00 0.00 0.04 0.00 0.00 34.50 30.86 1wg5 s PRO 43 CO 0.17 -0.58 0.00 -1.71 0.04 0.00 0.00 177.00 174.92 1wg5 n ASN 44 N 5.27 -3.79 -2.42 6.66 2.85 -1.26 -4.92 115.26 117.65 1wg5 n ASN 44 Ca 0.13 0.13 -0.35 0.00 -0.11 0.00 0.00 54.58 54.39 1wg5 n ASN 44 Cb 0.43 -2.54 0.06 0.00 1.24 0.00 0.00 39.78 38.98 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 -1.46 5.87 2.92 8.20 0.00 -1.05 -4.93 105.19 114.74 1wg5 n GLY 45 Ca -0.10 -2.40 -0.16 0.00 0.00 0.00 0.00 46.02 43.35 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 -3.85 0.41 -0.09 1.61 -1.94 -1.26 -0.19 119.30 114.00 1wg5 s MET 46 Ca 0.60 -0.12 0.04 0.00 -1.71 0.00 0.00 55.69 54.50 1wg5 s MET 46 Cb 0.48 -0.44 0.00 0.00 2.01 0.00 0.00 34.83 36.89 1wg5 s MET 46 CO -0.10 0.04 -0.21 0.99 -0.01 0.00 0.00 175.02 175.73 1wg5 s THR 47 N 0.20 1.83 -0.37 2.05 2.01 0.59 -4.96 115.64 117.00 1wg5 s THR 47 Ca -0.02 -0.89 0.00 0.00 0.31 0.00 0.00 61.69 61.09 1wg5 s THR 47 Cb -0.05 -1.60 0.12 0.00 0.01 0.00 0.00 72.50 70.98 1wg5 s THR 47 CO -0.00 0.51 0.18 -0.76 -0.69 0.00 0.00 174.62 173.86 1wg5 s LEU 48 N 0.39 2.11 1.13 4.42 1.43 -1.26 -0.50 118.68 126.39 1wg5 s LEU 48 Ca -0.17 -2.14 -0.17 0.00 -1.03 0.00 0.00 54.13 50.63 1wg5 s LEU 48 Cb -0.17 -0.82 0.25 0.00 0.03 0.00 0.00 46.19 45.48 1wg5 s LEU 48 CO 0.07 -0.33 1.10 -2.16 0.23 0.00 0.00 176.35 175.26 1wg5 s PRO 49 N 1.01 -0.65 0.10 1.29 0.04 -1.26 -4.97 135.00 130.56 1wg5 s PRO 49 Ca 0.15 0.14 0.01 0.00 0.04 0.00 0.00 61.00 61.34 1wg5 s PRO 49 Cb -0.21 -1.64 -0.00 0.00 0.04 0.00 0.00 34.50 32.68 1wg5 s PRO 49 CO -0.10 -3.38 0.11 1.33 0.04 0.00 0.00 177.00 175.00 1wg5 n VAL 50 N -4.56 0.00 -2.12 -0.36 0.24 -1.26 -2.83 118.33 107.44 1wg5 n VAL 50 Ca 0.10 -0.61 -0.03 0.00 -2.04 0.00 0.00 64.34 61.76 1wg5 n VAL 50 Cb 0.59 0.33 0.02 0.00 -1.47 0.00 0.00 33.84 33.31 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 -2.32 0.16 0.23 -1.34 8.00 0.57 -4.60 116.55 117.24 1wg5 n ASP 51 Ca 0.01 -1.15 0.16 0.00 0.71 0.00 0.00 54.79 54.52 1wg5 n ASP 51 Cb 0.17 -0.10 0.73 0.00 -0.02 0.00 0.00 41.12 41.90 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 -0.52 0.00 0.00 1.24 3.57 -2.02 -2.69 116.94 116.53 1wg5 h PHE 52 Ca -0.05 0.00 -0.37 0.00 3.53 0.00 0.00 57.97 61.09 1wg5 h PHE 52 Cb 0.17 0.00 -0.07 0.00 2.79 0.00 0.00 35.95 38.85 1wg5 h PHE 52 CO 0.00 0.00 -2.32 1.04 -2.23 0.00 0.00 178.31 174.80 1wg5 n GLN 53 N -2.69 0.68 0.00 1.11 3.00 -1.26 -5.00 117.38 113.21 1wg5 n GLN 53 Ca -0.00 0.06 0.00 0.00 -0.01 0.00 0.00 57.00 57.05 1wg5 n GLN 53 Cb 0.18 -1.56 0.00 0.00 0.00 0.00 0.00 30.24 28.87 1wg5 n GLN 53 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1wg5 n GLY 54 N 1.84 1.49 3.46 1.08 0.00 -1.01 -5.12 105.19 106.91 1wg5 n GLY 54 Ca -0.34 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.31 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 0.00 3.54 0.13 1.61 0.52 -1.26 -4.69 118.95 118.81 1wg5 s ARG 55 Ca 0.00 -0.57 -0.22 0.00 -0.52 0.00 0.00 55.73 54.42 1wg5 s ARG 55 Cb 0.00 -3.46 -0.13 0.00 0.52 0.00 0.00 34.95 31.88 1wg5 s ARG 55 CO 0.00 -0.29 0.43 0.43 0.02 0.00 0.00 175.30 175.90 1wg5 n SER 56 N 4.96 -0.83 -1.97 0.23 7.64 -1.26 -0.32 113.62 122.07 1wg5 n SER 56 Ca -0.15 0.85 -0.20 0.00 1.01 0.00 0.00 58.87 60.37 1wg5 n SER 56 Cb 0.50 -0.71 0.10 0.00 -1.01 0.00 0.00 64.21 63.10 1wg5 n SER 56 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1wg5 n THR 57 N 0.12 2.83 -1.44 0.44 -2.24 -1.13 -4.67 114.28 108.20 1wg5 n THR 57 Ca 0.14 -1.74 -0.13 0.00 -2.27 0.00 0.00 64.05 60.05 1wg5 n THR 57 Cb 0.17 -0.89 -0.05 0.00 -2.10 0.00 0.00 70.33 67.46 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 -0.50 1.13 3.25 3.38 0.00 -1.26 -4.87 105.19 106.32 1wg5 n GLY 58 Ca 0.44 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.25 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 -3.20 1.03 -0.02 1.61 2.02 -1.26 -0.78 118.70 118.10 1wg5 s GLU 59 Ca 0.00 -1.16 -0.29 0.00 0.02 0.00 0.00 54.97 53.55 1wg5 s GLU 59 Cb 0.00 -1.10 0.09 0.00 0.10 0.00 0.00 34.13 33.22 1wg5 s GLU 59 CO 0.00 0.24 0.79 0.00 0.02 0.00 0.00 175.26 176.31 1wg5 s ALA 60 N -1.57 -1.79 -0.13 5.21 0.00 -1.15 -4.00 121.76 118.34 1wg5 s ALA 60 Ca 0.06 1.14 0.01 0.00 0.00 0.00 0.00 51.96 53.17 1wg5 s ALA 60 Cb -0.08 0.11 0.02 0.00 0.00 0.00 0.00 23.12 23.17 1wg5 s ALA 60 CO 0.04 -0.51 -0.13 -0.06 0.00 0.00 0.00 175.76 175.09 1wg5 s PHE 61 N -2.15 1.97 -0.07 0.00 0.40 0.34 -0.59 117.98 117.88 1wg5 s PHE 61 Ca -0.03 -1.02 0.01 0.00 -0.60 0.00 0.00 56.93 55.29 1wg5 s PHE 61 Cb -0.01 -1.46 -0.03 0.00 0.51 0.00 0.00 43.02 42.03 1wg5 s PHE 61 CO -0.01 -0.57 -0.06 0.08 0.70 0.00 0.00 175.22 175.36 1wg5 s VAL 62 N 1.33 3.76 -0.29 -0.44 1.01 -0.37 -0.30 120.40 125.09 1wg5 s VAL 62 Ca 0.00 -0.46 -0.02 0.00 0.00 0.00 0.00 61.98 61.50 1wg5 s VAL 62 Cb -0.14 -2.54 0.04 0.00 0.00 0.00 0.00 36.38 33.75 1wg5 s VAL 62 CO -0.07 0.60 -0.00 -1.58 0.00 0.00 0.00 175.10 174.04 1wg5 s GLN 63 N -0.83 2.53 0.68 2.72 0.74 0.73 -0.33 119.66 125.90 1wg5 s GLN 63 Ca 0.13 -1.20 -0.11 0.00 0.05 0.00 0.00 55.36 54.23 1wg5 s GLN 63 Cb -0.11 -3.17 -0.00 0.00 1.10 0.00 0.00 33.01 30.83 1wg5 s GLN 63 CO 0.02 -0.58 1.06 -0.06 -0.55 0.00 0.00 175.29 175.18 1wg5 s PHE 64 N 1.28 3.37 0.46 1.67 0.08 -0.95 -2.74 117.98 121.16 1wg5 s PHE 64 Ca -0.04 1.21 0.17 0.00 0.12 0.00 0.00 56.93 58.40 1wg5 s PHE 64 Cb -0.19 -2.90 1.15 0.00 -0.57 0.00 0.00 43.02 40.50 1wg5 s PHE 64 CO -0.01 -1.05 1.98 0.00 -0.10 0.00 0.00 175.22 176.04 1wg5 h ALA 65 N -0.57 2.16 -2.44 5.36 0.00 -1.74 -3.43 119.26 118.60 1wg5 h ALA 65 Ca -0.45 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 54.47 1wg5 h ALA 65 Cb 1.22 -0.04 -0.15 0.00 0.00 0.00 0.00 17.79 18.82 1wg5 h ALA 65 CO 0.62 -0.31 0.32 0.45 0.00 0.00 0.00 179.25 180.33 1wg5 s SER 66 N -6.23 -0.51 0.25 0.00 0.15 -1.25 -4.98 113.70 101.12 1wg5 s SER 66 Ca -0.07 0.19 -0.04 0.00 0.70 0.00 0.00 55.95 56.73 1wg5 s SER 66 Cb 0.20 0.50 0.47 0.00 -1.71 0.00 0.00 66.02 65.48 1wg5 s SER 66 CO 0.74 -0.73 1.69 -0.61 1.20 0.00 0.00 173.24 175.53 1wg5 h GLN 67 N 2.26 0.28 -1.03 5.44 -0.00 -1.86 0.17 115.11 120.38 1wg5 h GLN 67 Ca -0.28 -0.02 0.26 0.00 -0.00 0.00 0.00 58.65 58.62 1wg5 h GLN 67 Cb 1.24 -0.06 -0.11 0.00 0.00 0.00 0.00 27.48 28.55 1wg5 h GLN 67 CO 0.35 0.18 0.64 1.05 0.00 0.00 0.00 178.83 181.06 1wg5 h GLU 68 N 0.29 0.46 0.03 1.69 4.11 -1.96 0.38 114.58 119.58 1wg5 h GLU 68 Ca 0.42 -0.03 -0.22 0.00 0.07 0.00 0.00 59.36 59.61 1wg5 h GLU 68 Cb 0.72 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.85 1wg5 h GLU 68 CO -0.50 0.31 -0.98 0.82 0.07 0.00 0.00 179.01 178.72 1wg5 h ILE 69 N 0.48 1.56 0.12 -1.06 2.04 -1.07 -3.29 117.51 116.28 1wg5 h ILE 69 Ca 0.63 -2.94 -0.01 0.00 1.00 0.00 0.00 64.86 63.55 1wg5 h ILE 69 Cb 1.40 2.67 0.00 0.00 -0.74 0.00 0.00 36.82 40.16 1wg5 h ILE 69 CO -0.39 0.85 -0.06 0.00 0.00 0.00 0.00 178.15 178.55 1wg5 h ALA 70 N 0.91 -0.16 -0.75 1.87 0.00 0.47 -2.91 119.26 118.68 1wg5 h ALA 70 Ca -0.05 -0.09 0.16 0.00 0.00 0.00 0.00 54.91 54.92 1wg5 h ALA 70 Cb 1.67 0.06 -0.11 0.00 0.00 0.00 0.00 17.79 19.42 1wg5 h ALA 70 CO 0.15 -0.52 0.23 0.93 0.00 0.00 0.00 179.25 180.04 1wg5 h GLU 71 N -0.30 0.32 -0.55 0.00 4.39 -1.29 0.32 114.58 117.47 1wg5 h GLU 71 Ca -0.02 -0.02 0.06 0.00 0.34 0.00 0.00 59.36 59.73 1wg5 h GLU 71 Cb 0.24 -0.07 -0.03 0.00 -0.10 0.00 0.00 28.75 28.79 1wg5 h GLU 71 CO 0.03 0.21 0.36 0.87 -1.16 0.00 0.00 179.01 179.32 1wg5 h LYS 72 N 0.33 0.48 0.00 2.33 1.57 -1.59 -0.88 116.57 118.81 1wg5 h LYS 72 Ca 0.43 -0.03 -0.18 0.00 -1.87 0.00 0.00 60.65 59.00 1wg5 h LYS 72 Cb 0.71 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 32.89 1wg5 h LYS 72 CO -0.48 0.32 -0.85 0.00 -0.57 0.00 0.00 179.45 177.87 1wg5 h ALA 73 N 1.70 0.50 -0.89 3.86 0.00 -0.28 -3.27 119.26 120.88 1wg5 h ALA 73 Ca 0.24 -0.77 0.09 0.00 0.00 0.00 0.00 54.91 54.47 1wg5 h ALA 73 Cb 0.31 -0.14 -0.06 0.00 0.00 0.00 0.00 17.79 17.90 1wg5 h ALA 73 CO -0.07 1.06 0.58 -0.07 0.00 0.00 0.00 179.25 180.75 1wg5 h LEU 74 N 0.00 0.82 -2.18 0.00 3.38 0.46 0.16 115.31 117.95 1wg5 h LEU 74 Ca -0.01 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1wg5 h LEU 74 Cb 1.60 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 42.20 1wg5 h LEU 74 CO 0.11 0.49 0.00 0.11 0.09 0.00 0.00 178.44 179.24 1wg5 h LYS 75 N 0.91 0.00 -1.58 1.13 1.79 -1.59 -2.50 116.57 114.73 1wg5 h LYS 75 Ca 0.41 0.00 -0.21 0.00 -2.18 0.00 0.00 60.65 58.67 1wg5 h LYS 75 Cb 0.37 0.00 -0.09 0.00 -1.58 0.00 0.00 32.23 30.92 1wg5 h LYS 75 CO -0.17 0.00 0.27 1.63 -1.08 0.00 0.00 179.45 180.10 1wg5 n LYS 76 N -2.68 1.52 -2.70 3.15 5.02 0.56 -4.93 118.16 118.10 1wg5 n LYS 76 Ca -0.02 -1.03 -0.33 0.00 -2.02 0.00 0.00 58.31 54.91 1wg5 n LYS 76 Cb 0.07 -1.40 -0.06 0.00 -0.02 0.00 0.00 35.03 33.61 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 -1.19 3.29 0.00 2.13 2.46 -0.95 -3.35 115.29 117.68 1wg5 s HIS 77 Ca 0.20 1.58 0.00 0.00 0.47 0.00 0.00 55.06 57.31 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 0.00 -0.26 0.00 1.63 -2.47 0.00 0.00 174.74 173.64 1wg5 n LYS 78 N -0.87 -0.63 -2.06 2.88 4.76 0.24 -4.92 118.16 117.56 1wg5 n LYS 78 Ca 0.07 0.16 -0.43 0.00 -2.87 0.00 0.00 58.31 55.24 1wg5 n LYS 78 Cb 0.54 -4.06 -0.03 0.00 -1.84 0.00 0.00 35.03 29.64 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 -0.98 3.65 0.35 1.97 0.41 -1.10 -3.94 118.70 119.06 1wg5 s GLU 79 Ca 0.00 1.62 -0.20 0.00 -0.41 0.00 0.00 54.97 55.98 1wg5 s GLU 79 Cb 0.00 -4.09 -0.10 0.00 -1.78 0.00 0.00 34.13 28.16 1wg5 s GLU 79 CO 0.00 -1.47 0.86 -0.98 -0.49 0.00 0.00 175.26 173.18 1wg5 s ARG 80 N 5.00 4.25 -0.55 1.61 1.04 -1.26 -1.55 118.95 127.49 1wg5 s ARG 80 Ca 0.75 1.01 0.04 0.00 -1.04 0.00 0.00 55.73 56.48 1wg5 s ARG 80 Cb -0.25 -2.49 0.14 0.00 -2.04 0.00 0.00 34.95 30.31 1wg5 s ARG 80 CO 0.31 0.15 0.30 0.42 -0.04 0.00 0.00 175.30 176.45 1wg5 s ILE 81 N -1.91 2.69 0.00 4.99 1.01 -0.87 -4.84 121.20 122.28 1wg5 s ILE 81 Ca 0.54 -3.46 0.00 0.00 0.00 0.00 0.00 60.65 57.74 1wg5 s ILE 81 Cb -0.13 -2.84 0.00 0.00 0.01 0.00 0.00 42.46 39.50 1wg5 s ILE 81 CO 0.18 -0.83 0.00 0.61 0.00 0.00 0.00 174.94 174.89 1wg5 n GLY 82 N 2.95 2.54 2.00 6.18 0.00 -1.26 -4.28 105.19 113.31 1wg5 n GLY 82 Ca 0.07 -0.56 -0.01 0.00 0.00 0.00 0.00 46.02 45.52 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 -0.19 -3.18 1.61 1.44 -1.26 -5.13 115.22 108.52 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 -0.01 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 0.44 0.42 -1.40 1.81 -1.26 -5.04 118.95 113.93 1wg5 s ARG 84 Ca 0.01 0.80 -0.26 0.00 -1.72 0.00 0.00 55.73 54.56 1wg5 s ARG 84 Cb 0.04 0.45 -0.10 0.00 -0.45 0.00 0.00 34.95 34.89 1wg5 s ARG 84 CO -0.01 -0.45 1.41 0.66 -0.68 0.00 0.00 175.30 176.23 1wg5 n TYR 85 N 5.43 2.65 -4.72 -0.53 4.01 -1.26 -2.04 117.16 120.70 1wg5 n TYR 85 Ca -0.04 0.46 -0.33 0.00 -0.16 0.00 0.00 57.90 57.83 1wg5 n TYR 85 Cb 0.52 -2.46 -0.14 0.00 -0.31 0.00 0.00 39.34 36.95 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 3.19 -0.35 -0.72 -1.09 -0.59 -4.59 121.20 115.88 1wg5 s ILE 86 Ca 0.59 -0.62 -0.12 0.00 -2.23 0.00 0.00 60.65 58.27 1wg5 s ILE 86 Cb -0.47 -2.34 -0.01 0.00 -1.58 0.00 0.00 42.46 38.05 1wg5 s ILE 86 CO 0.59 0.52 0.23 -1.61 -1.23 0.00 0.00 174.94 173.45 1wg5 s GLU 87 N 0.28 3.36 -0.17 2.79 2.02 0.11 0.80 118.70 127.89 1wg5 s GLU 87 Ca -0.09 -0.73 -0.08 0.00 0.02 0.00 0.00 54.97 54.09 1wg5 s GLU 87 Cb -0.15 -3.78 -0.04 0.00 0.10 0.00 0.00 34.13 30.25 1wg5 s GLU 87 CO 0.05 -0.49 0.10 0.42 0.02 0.00 0.00 175.26 175.35 1wg5 s ILE 88 N 1.69 5.10 -0.04 -1.63 1.01 -1.26 0.22 121.20 126.29 1wg5 s ILE 88 Ca 0.05 0.07 -0.01 0.00 0.00 0.00 0.00 60.65 60.77 1wg5 s ILE 88 Cb -0.18 -3.29 0.03 0.00 0.01 0.00 0.00 42.46 39.03 1wg5 s ILE 88 CO 0.09 0.48 0.03 -0.36 0.00 0.00 0.00 174.94 175.18 1wg5 s PHE 89 N 0.09 0.29 0.06 3.97 0.08 0.95 -4.91 117.98 118.52 1wg5 s PHE 89 Ca 0.07 0.07 -0.37 0.00 0.12 0.00 0.00 56.93 56.82 1wg5 s PHE 89 Cb -0.12 -0.54 -0.18 0.00 -0.57 0.00 0.00 43.02 41.62 1wg5 s PHE 89 CO -0.00 -0.21 1.14 1.17 -0.10 0.00 0.00 175.22 177.22 1wg5 n LYS 90 N 4.88 0.53 -3.01 0.44 0.00 -1.26 -0.75 118.16 119.00 1wg5 n LYS 90 Ca -0.12 0.19 -0.10 0.00 0.00 0.00 0.00 58.31 58.28 1wg5 n LYS 90 Cb 0.50 -1.71 -0.03 0.00 0.00 0.00 0.00 35.03 33.79 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 1.94 0.48 -4.22 3.14 2.88 -0.93 -4.72 113.62 112.18 1wg5 n SER 91 Ca 0.19 -1.94 -0.13 0.00 -1.33 0.00 0.00 58.87 55.65 1wg5 n SER 91 Cb 0.15 0.57 -0.10 0.00 -0.75 0.00 0.00 64.21 64.07 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 -2.05 0.63 0.05 -3.46 0.01 -1.26 -3.95 113.70 103.66 1wg5 s SER 92 Ca 0.13 -1.31 -0.24 0.00 1.31 0.00 0.00 55.95 55.84 1wg5 s SER 92 Cb 0.01 0.26 -0.17 0.00 0.21 0.00 0.00 66.02 66.33 1wg5 s SER 92 CO 0.09 -0.74 1.57 -0.09 0.41 0.00 0.00 173.24 174.48 1wg5 h ARG 93 N 2.64 -0.01 -0.83 12.44 2.43 -1.96 -2.48 114.38 126.62 1wg5 h ARG 93 Ca -0.36 0.00 0.08 0.00 -0.81 0.00 0.00 59.98 58.89 1wg5 h ARG 93 Cb 1.23 0.00 -0.07 0.00 -0.42 0.00 0.00 29.97 30.71 1wg5 h ARG 93 CO 0.58 0.17 0.49 0.00 -1.51 0.00 0.00 179.97 179.70 1wg5 h ALA 94 N 0.82 1.17 -0.17 2.80 0.00 -2.00 -2.32 119.26 119.55 1wg5 h ALA 94 Ca -0.00 0.02 0.02 0.00 0.00 0.00 0.00 54.91 54.94 1wg5 h ALA 94 Cb 0.18 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 1wg5 h ALA 94 CO 0.00 0.16 0.04 1.49 0.00 0.00 0.00 179.25 180.95 1wg5 h GLU 95 N 0.85 0.11 -5.77 0.00 4.81 -1.94 -3.42 114.58 109.22 1wg5 h GLU 95 Ca 0.38 -0.01 -0.74 0.00 -0.13 0.00 0.00 59.36 58.87 1wg5 h GLU 95 Cb 0.29 -0.03 -0.04 0.00 0.63 0.00 0.00 28.75 29.60 1wg5 h GLU 95 CO -0.22 0.08 1.28 0.28 -0.73 0.00 0.00 179.01 179.70 1wg5 n VAL 96 N -5.07 0.00 -0.87 0.32 0.31 -0.88 -4.82 118.33 107.33 1wg5 n VAL 96 Ca -0.03 0.00 -0.35 0.00 -0.01 0.00 0.00 64.34 63.95 1wg5 n VAL 96 Cb 0.07 -0.48 0.09 0.00 -0.91 0.00 0.00 33.84 32.61 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 7.25 -0.36 -2.39 5.55 1.74 -1.26 -4.97 116.66 122.22 1wg5 n ARG 97 Ca 0.53 -0.09 -0.02 0.00 -0.77 0.00 0.00 57.85 57.51 1wg5 n ARG 97 Cb -0.04 -1.45 0.10 0.00 -1.02 0.00 0.00 32.46 30.05 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 -3.35 0.00 -3.40 0.55 5.66 -1.26 -5.06 114.28 107.42 1wg5 n THR 98 Ca 0.02 -0.77 -0.44 0.00 -3.05 0.00 0.00 64.05 59.81 1wg5 n THR 98 Cb 0.58 0.88 -0.02 0.00 -1.55 0.00 0.00 70.33 70.22 1wg5 n THR 98 CO 0.00 0.00 0.00 -0.55 -3.05 0.00 0.00 175.07 171.47 1wg5 s SER 99 N -0.86 6.90 0.00 1.09 0.15 -1.26 -5.01 113.70 114.71 1wg5 s SER 99 Ca 0.07 -3.38 0.00 0.00 0.70 0.00 0.00 55.95 53.34 1wg5 s SER 99 Cb 0.34 -2.15 0.00 0.00 -1.71 0.00 0.00 66.02 62.50 1wg5 s SER 99 CO -0.10 -0.34 0.00 0.61 1.20 0.00 0.00 173.24 174.61 1wg5 n GLY 100 N 2.97 4.35 3.56 9.45 0.00 -1.26 -5.04 105.19 119.22 1wg5 n GLY 100 Ca 0.20 -2.19 -0.27 0.00 0.00 0.00 0.00 46.02 43.76 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 -1.87 2.56 0.26 1.61 0.04 -1.26 -4.11 135.00 132.22 1wg5 s PRO 101 Ca 0.00 -0.32 0.00 0.00 0.04 0.00 0.00 61.00 60.72 1wg5 s PRO 101 Cb 0.00 -5.07 0.00 0.00 0.04 0.00 0.00 34.50 29.47 1wg5 s PRO 101 CO 0.00 -3.39 0.00 -1.13 0.04 0.00 0.00 177.00 172.52 1wg5 n SER 102 N 13.97 -2.03 -4.56 6.66 3.41 -1.26 -5.12 113.62 124.69 1wg5 n SER 102 Ca 0.40 0.48 -0.42 0.00 -0.26 0.00 0.00 58.87 59.07 1wg5 n SER 102 Cb 0.47 2.08 0.00 0.00 -0.26 0.00 0.00 64.21 66.50 1wg5 n SER 102 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1wg5 n SER 103 N -3.06 0.61 0.00 4.04 2.88 -1.26 -5.29 113.62 111.54 1wg5 n SER 103 Ca 0.00 1.03 0.00 0.00 -1.33 0.00 0.00 58.87 58.57 1wg5 n SER 103 Cb 0.00 -1.26 0.00 0.00 -0.75 0.00 0.00 64.21 62.20 1wg5 n SER 103 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42