#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 -0.09 0.00 1.61 2.88 -1.26 -5.05 113.62 111.71 1wg5 n SER 2 Ca 0.00 0.08 0.00 0.00 -1.33 0.00 0.00 58.87 57.62 1wg5 n SER 2 Cb 0.00 0.21 0.00 0.00 -0.75 0.00 0.00 64.21 63.67 1wg5 n SER 2 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1wg5 n SER 3 N -2.22 0.00 0.00 -3.46 7.64 -1.26 -4.48 113.62 109.85 1wg5 n SER 3 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1wg5 n SER 3 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1wg5 n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wg5 n GLY 4 N 0.00 0.67 0.93 0.23 0.00 -1.26 -4.90 105.19 100.85 1wg5 n GLY 4 Ca 0.00 -0.64 0.12 0.00 0.00 0.00 0.00 46.02 45.50 1wg5 n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1wg5 n SER 5 N 0.00 -5.53 -4.57 1.61 7.64 -1.26 -4.66 113.62 106.85 1wg5 n SER 5 Ca 0.00 0.51 -0.48 0.00 1.01 0.00 0.00 58.87 59.91 1wg5 n SER 5 Cb 0.00 -2.90 -0.05 0.00 -1.01 0.00 0.00 64.21 60.25 1wg5 n SER 5 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1wg5 n SER 6 N -3.37 2.88 0.00 6.43 3.41 -1.26 -4.60 113.62 117.11 1wg5 n SER 6 Ca -0.01 0.56 0.00 0.00 -0.26 0.00 0.00 58.87 59.16 1wg5 n SER 6 Cb 0.43 -1.37 0.00 0.00 -0.26 0.00 0.00 64.21 63.00 1wg5 n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wg5 n GLY 7 N 5.57 -0.33 2.21 5.00 0.00 -1.26 -5.13 105.19 111.24 1wg5 n GLY 7 Ca 0.32 0.59 -0.03 0.00 0.00 0.00 0.00 46.02 46.89 1wg5 n GLY 7 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1wg5 n ASN 8 N 0.00 -3.40 -2.75 1.61 5.15 -1.26 -5.07 115.26 109.54 1wg5 n ASN 8 Ca 0.00 1.17 -0.03 0.00 -0.60 0.00 0.00 54.58 55.12 1wg5 n ASN 8 Cb 0.00 -4.23 0.02 0.00 -0.53 0.00 0.00 39.78 35.04 1wg5 n ASN 8 CO 0.00 0.00 0.00 -0.94 1.40 0.00 0.00 177.26 177.72 1wg5 s SER 9 N -0.48 -0.96 0.81 1.20 1.04 -1.26 -5.16 113.70 108.88 1wg5 s SER 9 Ca -0.14 -1.08 -0.11 0.00 0.48 0.00 0.00 55.95 55.10 1wg5 s SER 9 Cb 0.01 1.25 0.08 0.00 0.10 0.00 0.00 66.02 67.46 1wg5 s SER 9 CO 0.37 -0.04 1.09 -2.16 0.98 0.00 0.00 173.24 173.48 1wg5 s PRO 10 N 1.01 1.95 0.80 4.02 0.04 -1.26 -5.06 135.00 136.50 1wg5 s PRO 10 Ca 0.26 1.07 -0.11 0.00 0.04 0.00 0.00 61.00 62.26 1wg5 s PRO 10 Cb 0.05 -1.87 0.18 0.00 0.04 0.00 0.00 34.50 32.90 1wg5 s PRO 10 CO -0.08 -1.83 1.09 -0.25 0.04 0.00 0.00 177.00 175.98 1wg5 n ASP 11 N -3.64 0.38 -3.60 6.66 9.92 -1.26 -5.07 116.55 119.95 1wg5 n ASP 11 Ca 0.08 -1.58 -0.28 0.00 -0.53 0.00 0.00 54.79 52.49 1wg5 n ASP 11 Cb 0.54 -0.81 -0.11 0.00 -0.64 0.00 0.00 41.12 40.10 1wg5 n ASP 11 CO 0.00 0.00 0.00 0.28 0.13 0.00 0.00 177.20 177.61 1wg5 s THR 12 N -3.33 1.27 0.00 -3.53 -1.32 -1.26 -4.83 115.64 102.64 1wg5 s THR 12 Ca 0.64 -3.06 0.00 0.00 -1.21 0.00 0.00 61.69 58.06 1wg5 s THR 12 Cb -0.02 -1.86 0.00 0.00 -1.51 0.00 0.00 72.50 69.11 1wg5 s THR 12 CO 0.44 -1.10 0.00 0.00 -2.21 0.00 0.00 174.62 171.76 1wg5 n ALA 13 N 2.77 0.73 -2.36 11.08 0.00 -1.26 -5.14 120.51 126.34 1wg5 n ALA 13 Ca 0.22 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.63 1wg5 n ALA 13 Cb 0.41 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.84 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 -1.28 -4.38 -0.00 0.00 4.13 -1.26 -5.01 115.26 107.45 1wg5 n ASN 14 Ca 0.00 1.44 -0.00 0.00 1.68 0.00 0.00 54.58 57.70 1wg5 n ASN 14 Cb 0.00 -4.84 -0.01 0.00 -1.54 0.00 0.00 39.78 33.39 1wg5 n ASN 14 CO 0.00 0.00 0.00 -0.90 0.28 0.00 0.00 177.26 176.64 1wg5 n ASP 15 N 1.60 4.73 -0.33 6.41 5.75 -1.26 -4.88 116.55 128.57 1wg5 n ASP 15 Ca -0.21 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.57 1wg5 n ASP 15 Cb 0.32 0.60 0.00 0.00 -1.03 0.00 0.00 41.12 41.01 1wg5 n ASP 15 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1wg5 n GLY 16 N 2.86 0.56 3.70 6.12 0.00 -1.26 -4.50 105.19 112.67 1wg5 n GLY 16 Ca -0.02 -0.18 -0.30 0.00 0.00 0.00 0.00 46.02 45.52 1wg5 n GLY 16 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1wg5 s PHE 17 N -1.82 3.01 -0.00 1.61 0.08 -1.25 0.16 117.98 119.77 1wg5 s PHE 17 Ca 0.00 -0.02 -0.06 0.00 0.12 0.00 0.00 56.93 56.97 1wg5 s PHE 17 Cb 0.00 -1.54 0.00 0.00 -0.57 0.00 0.00 43.02 40.91 1wg5 s PHE 17 CO 0.00 0.49 0.12 0.14 -0.10 0.00 0.00 175.22 175.87 1wg5 s VAL 18 N -1.35 0.07 -0.01 -0.44 -7.23 0.15 -1.76 120.40 109.84 1wg5 s VAL 18 Ca 0.26 -0.61 0.03 0.00 -1.81 0.00 0.00 61.98 59.86 1wg5 s VAL 18 Cb -0.12 -0.38 -0.03 0.00 0.56 0.00 0.00 36.38 36.41 1wg5 s VAL 18 CO 0.19 -0.33 -0.08 -0.60 -0.31 0.00 0.00 175.10 173.97 1wg5 s ARG 19 N -1.16 2.56 0.02 4.82 3.52 -0.25 -0.89 118.95 127.57 1wg5 s ARG 19 Ca -0.13 -0.70 0.08 0.00 -0.13 0.00 0.00 55.73 54.85 1wg5 s ARG 19 Cb -0.07 -2.49 -0.02 0.00 -1.56 0.00 0.00 34.95 30.81 1wg5 s ARG 19 CO 0.01 0.61 -0.24 -0.51 -0.81 0.00 0.00 175.30 174.36 1wg5 s LEU 20 N -1.26 2.12 -0.05 -0.88 1.43 0.82 -0.37 118.68 120.49 1wg5 s LEU 20 Ca 0.16 -0.51 -0.00 0.00 -1.03 0.00 0.00 54.13 52.75 1wg5 s LEU 20 Cb -0.11 -1.20 0.03 0.00 0.03 0.00 0.00 46.19 44.94 1wg5 s LEU 20 CO 0.06 0.25 -0.01 -0.13 0.23 0.00 0.00 176.35 176.75 1wg5 s ARG 21 N -0.95 0.49 0.00 1.70 0.52 0.84 -2.37 118.95 119.19 1wg5 s ARG 21 Ca 0.10 0.06 0.00 0.00 -0.52 0.00 0.00 55.73 55.37 1wg5 s ARG 21 Cb -0.09 -0.71 0.00 0.00 0.52 0.00 0.00 34.95 34.67 1wg5 s ARG 21 CO 0.01 -0.18 0.00 0.41 0.02 0.00 0.00 175.30 175.56 1wg5 n GLY 22 N 4.48 0.89 3.80 -3.53 0.00 -0.17 0.24 105.19 110.90 1wg5 n GLY 22 Ca -0.19 -0.05 -0.34 0.00 0.00 0.00 0.00 46.02 45.44 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 -0.09 3.96 1.01 0.99 1.43 -1.00 -4.26 118.68 120.72 1wg5 s LEU 23 Ca 0.00 1.88 -0.12 0.00 -1.03 0.00 0.00 54.13 54.86 1wg5 s LEU 23 Cb 0.00 -4.44 0.19 0.00 0.03 0.00 0.00 46.19 41.97 1wg5 s LEU 23 CO 0.00 -0.57 1.09 -2.16 0.23 0.00 0.00 176.35 174.95 1wg5 s PRO 24 N -2.99 0.33 0.14 1.29 0.04 -1.26 -4.70 135.00 127.85 1wg5 s PRO 24 Ca 0.63 0.49 -0.31 0.00 0.04 0.00 0.00 61.00 61.84 1wg5 s PRO 24 Cb -0.16 -1.73 -0.09 0.00 0.04 0.00 0.00 34.50 32.56 1wg5 s PRO 24 CO 0.20 -2.79 1.49 -0.06 0.04 0.00 0.00 177.00 175.88 1wg5 s PHE 25 N -2.97 3.14 0.00 0.56 0.08 -1.26 -1.95 117.98 115.58 1wg5 s PHE 25 Ca 0.65 0.77 0.00 0.00 0.12 0.00 0.00 56.93 58.48 1wg5 s PHE 25 Cb -0.19 -3.82 0.00 0.00 -0.57 0.00 0.00 43.02 38.45 1wg5 s PHE 25 CO 0.58 -2.95 0.00 0.41 -0.10 0.00 0.00 175.22 173.15 1wg5 n GLY 26 N 3.63 0.44 3.64 4.36 0.00 -1.26 -4.95 105.19 111.05 1wg5 n GLY 26 Ca 0.13 0.00 -0.50 0.00 0.00 0.00 0.00 46.02 45.64 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 1.28 0.33 0.31 0.00 0.01 -1.26 -5.02 113.70 109.35 1wg5 s SER 28 Ca 0.85 -1.27 0.07 0.00 1.31 0.00 0.00 55.95 56.91 1wg5 s SER 28 Cb -0.86 0.53 0.82 0.00 0.21 0.00 0.00 66.02 66.72 1wg5 s SER 28 CO 0.47 -1.06 1.71 0.11 0.41 0.00 0.00 173.24 174.87 1wg5 h LYS 29 N 2.35 0.46 -0.79 12.44 6.56 -1.97 0.13 116.57 135.75 1wg5 h LYS 29 Ca -0.30 -0.03 0.18 0.00 -1.06 0.00 0.00 60.65 59.44 1wg5 h LYS 29 Cb 1.25 -0.10 -0.12 0.00 -0.57 0.00 0.00 32.23 32.68 1wg5 h LYS 29 CO 0.43 0.30 0.20 0.93 -2.06 0.00 0.00 179.45 179.25 1wg5 h GLU 30 N 0.47 0.25 0.00 3.15 5.08 -1.97 0.76 114.58 122.33 1wg5 h GLU 30 Ca 0.61 -0.02 -0.21 0.00 -1.00 0.00 0.00 59.36 58.75 1wg5 h GLU 30 Cb 1.17 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 30.34 1wg5 h GLU 30 CO -0.51 0.17 -1.00 0.93 -1.00 0.00 0.00 179.01 177.60 1wg5 h GLU 31 N 0.26 0.00 0.11 2.33 4.39 -1.20 -3.32 114.58 117.15 1wg5 h GLU 31 Ca 0.46 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 60.15 1wg5 h GLU 31 Cb 0.82 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.48 1wg5 h GLU 31 CO -0.55 0.93 -0.05 0.82 -1.16 0.00 0.00 179.01 179.00 1wg5 h ILE 32 N 0.00 0.00 -0.72 3.13 2.04 0.70 -1.20 117.51 121.47 1wg5 h ILE 32 Ca -0.02 -0.17 0.23 0.00 1.00 0.00 0.00 64.86 65.90 1wg5 h ILE 32 Cb 1.75 0.00 -0.13 0.00 -0.74 0.00 0.00 36.82 37.70 1wg5 h ILE 32 CO 0.12 0.00 0.14 0.52 0.00 0.00 0.00 178.15 178.93 1wg5 n VAL 33 N -2.86 -0.30 -0.03 1.67 0.31 0.24 0.15 118.33 117.51 1wg5 n VAL 33 Ca -0.02 1.54 -0.15 0.00 -0.01 0.00 0.00 64.34 65.70 1wg5 n VAL 33 Cb 0.06 -2.33 -0.10 0.00 -0.91 0.00 0.00 33.84 30.56 1wg5 n VAL 33 CO 0.00 0.00 0.00 1.56 -1.32 0.00 0.00 176.83 177.07 1wg5 h GLN 34 N 0.00 0.30 -0.67 5.55 1.08 -1.65 -3.16 115.11 116.56 1wg5 h GLN 34 Ca 0.49 -0.26 0.19 0.00 -1.45 0.00 0.00 58.65 57.62 1wg5 h GLN 34 Cb 1.14 0.06 -0.03 0.00 -0.05 0.00 0.00 27.48 28.60 1wg5 h GLN 34 CO -0.63 0.93 0.60 0.35 -0.95 0.00 0.00 178.83 179.12 1wg5 h PHE 35 N -0.24 0.00 -0.92 2.96 3.57 0.27 0.35 116.94 122.94 1wg5 h PHE 35 Ca -0.03 0.00 -0.59 0.00 3.53 0.00 0.00 57.97 60.88 1wg5 h PHE 35 Cb 1.00 0.00 -0.30 0.00 2.79 0.00 0.00 35.95 39.45 1wg5 h PHE 35 CO 0.14 0.00 0.55 1.19 -2.23 0.00 0.00 178.31 177.96 1wg5 n PHE 36 N -3.90 2.98 -1.58 0.41 3.72 -0.33 -5.02 117.46 113.73 1wg5 n PHE 36 Ca 0.13 -2.57 -0.43 0.00 -0.05 0.00 0.00 57.45 54.54 1wg5 n PHE 36 Cb 0.84 -1.14 0.00 0.00 -0.94 0.00 0.00 39.48 38.25 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 -0.96 1.02 0.00 4.37 3.41 0.12 -1.59 113.62 119.99 1wg5 n SER 37 Ca 0.58 1.08 0.00 0.00 -0.26 0.00 0.00 58.87 60.26 1wg5 n SER 37 Cb 0.95 -1.30 0.00 0.00 -0.26 0.00 0.00 64.21 63.60 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 1.27 2.94 3.90 5.00 0.00 -1.26 -5.02 105.19 112.02 1wg5 n GLY 38 Ca 0.10 0.00 -0.30 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 4.17 -0.23 0.99 1.43 -0.62 -5.09 118.68 119.33 1wg5 s LEU 39 Ca 0.00 0.64 -0.05 0.00 -1.03 0.00 0.00 54.13 53.69 1wg5 s LEU 39 Cb 0.00 -3.42 -0.01 0.00 0.03 0.00 0.00 46.19 42.79 1wg5 s LEU 39 CO 0.00 -0.08 -0.00 -0.70 0.23 0.00 0.00 176.35 175.80 1wg5 s GLU 40 N -3.16 3.45 0.15 1.70 2.12 -1.26 -5.02 118.70 116.67 1wg5 s GLU 40 Ca 0.42 -0.59 0.08 0.00 0.36 0.00 0.00 54.97 55.24 1wg5 s GLU 40 Cb -0.11 -3.12 -0.04 0.00 0.26 0.00 0.00 34.13 31.12 1wg5 s GLU 40 CO 0.27 -0.20 -0.07 0.42 -0.54 0.00 0.00 175.26 175.14 1wg5 s ILE 41 N 1.52 3.43 0.50 -3.70 1.01 -1.26 -1.98 121.20 120.72 1wg5 s ILE 41 Ca 0.06 -1.43 -0.20 0.00 0.00 0.00 0.00 60.65 59.08 1wg5 s ILE 41 Cb -0.15 -2.67 -0.08 0.00 0.01 0.00 0.00 42.46 39.58 1wg5 s ILE 41 CO -0.01 -0.02 1.05 0.68 0.00 0.00 0.00 174.94 176.64 1wg5 s VAL 42 N -1.51 3.73 -0.04 2.92 -7.23 -1.16 -4.79 120.40 112.31 1wg5 s VAL 42 Ca 0.24 1.05 -0.30 0.00 -1.81 0.00 0.00 61.98 61.17 1wg5 s VAL 42 Cb -0.10 -3.43 -0.05 0.00 0.56 0.00 0.00 36.38 33.36 1wg5 s VAL 42 CO 0.16 -0.26 1.49 -2.16 -0.31 0.00 0.00 175.10 174.02 1wg5 s PRO 43 N -3.31 4.23 -0.65 4.82 0.04 -1.26 -2.54 135.00 136.33 1wg5 s PRO 43 Ca 0.67 2.02 0.00 0.00 0.04 0.00 0.00 61.00 63.73 1wg5 s PRO 43 Cb -0.17 -3.76 0.00 0.00 0.04 0.00 0.00 34.50 30.61 1wg5 s PRO 43 CO 0.22 -0.71 0.00 -1.71 0.04 0.00 0.00 177.00 174.84 1wg5 n ASN 44 N 6.25 -3.07 -2.06 6.66 5.15 -1.26 -4.93 115.26 122.00 1wg5 n ASN 44 Ca 0.15 0.06 -0.24 0.00 -0.60 0.00 0.00 54.58 53.95 1wg5 n ASN 44 Cb 0.43 -1.97 0.14 0.00 -0.53 0.00 0.00 39.78 37.85 1wg5 n ASN 44 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1wg5 n GLY 45 N -1.40 5.14 2.99 8.20 0.00 -1.05 -4.92 105.19 114.14 1wg5 n GLY 45 Ca -0.08 -1.61 -0.22 0.00 0.00 0.00 0.00 46.02 44.11 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 -3.48 1.29 -0.10 1.61 -1.94 -1.26 -0.04 119.30 115.38 1wg5 s MET 46 Ca 0.57 -0.31 0.03 0.00 -1.71 0.00 0.00 55.69 54.28 1wg5 s MET 46 Cb 0.47 -1.13 -0.01 0.00 2.01 0.00 0.00 34.83 36.17 1wg5 s MET 46 CO 0.05 0.02 -0.21 0.99 -0.01 0.00 0.00 175.02 175.86 1wg5 s THR 47 N 0.60 2.33 -0.37 2.05 2.01 0.83 -4.96 115.64 118.14 1wg5 s THR 47 Ca -0.11 -0.93 0.00 0.00 0.31 0.00 0.00 61.69 60.96 1wg5 s THR 47 Cb -0.14 -1.91 0.12 0.00 0.01 0.00 0.00 72.50 70.59 1wg5 s THR 47 CO 0.02 0.55 0.18 -0.76 -0.69 0.00 0.00 174.62 173.92 1wg5 s LEU 48 N 0.22 2.12 1.13 4.42 1.43 -1.26 -0.53 118.68 126.21 1wg5 s LEU 48 Ca -0.14 -2.13 -0.17 0.00 -1.03 0.00 0.00 54.13 50.67 1wg5 s LEU 48 Cb -0.17 -0.83 0.25 0.00 0.03 0.00 0.00 46.19 45.48 1wg5 s LEU 48 CO 0.07 -0.34 1.10 -2.16 0.23 0.00 0.00 176.35 175.26 1wg5 s PRO 49 N 1.02 -0.65 0.28 1.29 0.04 -1.26 -5.02 135.00 130.71 1wg5 s PRO 49 Ca 0.14 0.14 -0.01 0.00 0.04 0.00 0.00 61.00 61.32 1wg5 s PRO 49 Cb -0.21 -1.64 0.00 0.00 0.04 0.00 0.00 34.50 32.69 1wg5 s PRO 49 CO -0.10 -3.38 0.38 1.33 0.04 0.00 0.00 177.00 175.27 1wg5 n VAL 50 N -4.56 0.00 -2.07 -0.36 0.24 -1.26 -3.63 118.33 106.69 1wg5 n VAL 50 Ca 0.10 -1.51 -0.13 0.00 -2.04 0.00 0.00 64.34 60.75 1wg5 n VAL 50 Cb 0.59 0.91 0.08 0.00 -1.47 0.00 0.00 33.84 33.94 1wg5 n VAL 50 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 1wg5 n ASP 51 N -1.75 0.46 0.00 -1.34 2.03 -0.19 -4.74 116.55 111.02 1wg5 n ASP 51 Ca 0.01 -1.46 0.05 0.00 0.52 0.00 0.00 54.79 53.91 1wg5 n ASP 51 Cb 0.48 -0.41 0.22 0.00 -0.72 0.00 0.00 41.12 40.69 1wg5 n ASP 51 CO 0.00 0.00 0.00 2.22 -1.92 0.00 0.00 177.20 177.50 1wg5 n PHE 52 N -2.47 0.00 0.22 -0.67 -1.74 -1.26 -1.49 117.46 110.05 1wg5 n PHE 52 Ca 0.09 0.00 0.03 0.00 -0.56 0.00 0.00 57.45 57.00 1wg5 n PHE 52 Cb 0.31 -0.46 0.01 0.00 1.52 0.00 0.00 39.48 40.86 1wg5 n PHE 52 CO 0.00 0.00 0.00 1.04 -0.56 0.00 0.00 176.76 177.24 1wg5 n GLN 53 N -1.46 0.58 -0.32 3.97 1.13 -1.26 -4.98 117.38 115.03 1wg5 n GLN 53 Ca 0.03 -0.70 0.00 0.00 -1.94 0.00 0.00 57.00 54.39 1wg5 n GLN 53 Cb 0.11 -1.05 0.00 0.00 0.11 0.00 0.00 30.24 29.42 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 0.42 0.80 3.55 1.08 0.00 -0.56 -5.05 105.19 105.43 1wg5 n GLY 54 Ca 0.03 -0.30 -0.42 0.00 0.00 0.00 0.00 46.02 45.32 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 -0.65 3.48 0.08 1.61 0.52 -1.26 -4.62 118.95 118.11 1wg5 s ARG 55 Ca 0.00 -0.14 -0.26 0.00 -0.52 0.00 0.00 55.73 54.81 1wg5 s ARG 55 Cb 0.00 -3.88 -0.14 0.00 0.52 0.00 0.00 34.95 31.45 1wg5 s ARG 55 CO 0.00 -0.89 0.61 -1.13 0.02 0.00 0.00 175.30 173.90 1wg5 n SER 56 N 6.21 -0.48 -0.94 0.23 3.41 -1.26 -1.02 113.62 119.78 1wg5 n SER 56 Ca -0.01 0.87 0.07 0.00 -0.26 0.00 0.00 58.87 59.54 1wg5 n SER 56 Cb 0.48 -0.71 0.22 0.00 -0.26 0.00 0.00 64.21 63.94 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 0.57 0.77 -0.96 6.66 -2.24 -1.24 -4.74 114.28 113.11 1wg5 n THR 57 Ca 0.14 -0.67 0.00 0.00 -2.27 0.00 0.00 64.05 61.26 1wg5 n THR 57 Cb 0.13 0.23 0.00 0.00 -2.10 0.00 0.00 70.33 68.59 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 1.15 0.28 3.61 3.38 0.00 -1.26 -4.83 105.19 107.51 1wg5 n GLY 58 Ca 0.16 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.96 2.35 -0.14 1.61 2.02 -1.26 -0.99 118.70 121.33 1wg5 s GLU 59 Ca 0.00 -0.89 -0.24 0.00 0.02 0.00 0.00 54.97 53.86 1wg5 s GLU 59 Cb 0.00 -2.42 0.06 0.00 0.10 0.00 0.00 34.13 31.87 1wg5 s GLU 59 CO 0.00 0.54 0.60 0.00 0.02 0.00 0.00 175.26 176.43 1wg5 s ALA 60 N -1.17 -1.53 -0.22 5.21 0.00 -1.00 -4.06 121.76 119.00 1wg5 s ALA 60 Ca 0.21 1.42 0.02 0.00 0.00 0.00 0.00 51.96 53.60 1wg5 s ALA 60 Cb -0.11 -0.51 0.04 0.00 0.00 0.00 0.00 23.12 22.54 1wg5 s ALA 60 CO 0.13 -0.32 -0.14 -0.06 0.00 0.00 0.00 175.76 175.38 1wg5 s PHE 61 N -0.43 2.84 -0.01 0.00 0.08 0.31 -0.13 117.98 120.64 1wg5 s PHE 61 Ca -0.06 -1.88 0.01 0.00 0.12 0.00 0.00 56.93 55.12 1wg5 s PHE 61 Cb -0.03 -1.83 -0.04 0.00 -0.57 0.00 0.00 43.02 40.55 1wg5 s PHE 61 CO 0.05 -0.81 0.01 0.08 -0.10 0.00 0.00 175.22 174.44 1wg5 s VAL 62 N 1.25 4.21 -0.33 -0.44 1.01 -0.07 -0.12 120.40 125.92 1wg5 s VAL 62 Ca -0.02 -0.53 0.04 0.00 0.00 0.00 0.00 61.98 61.46 1wg5 s VAL 62 Cb -0.17 -2.86 0.10 0.00 0.00 0.00 0.00 36.38 33.45 1wg5 s VAL 62 CO -0.09 0.41 0.04 -1.58 0.00 0.00 0.00 175.10 173.88 1wg5 s GLN 63 N -1.46 1.51 0.89 2.72 0.74 0.94 0.35 119.66 125.34 1wg5 s GLN 63 Ca 0.19 -1.80 -0.11 0.00 0.05 0.00 0.00 55.36 53.68 1wg5 s GLN 63 Cb -0.12 -3.14 0.12 0.00 1.10 0.00 0.00 33.01 30.98 1wg5 s GLN 63 CO 0.09 -0.91 1.09 -0.06 -0.55 0.00 0.00 175.29 174.95 1wg5 s PHE 64 N 0.94 2.24 0.38 1.67 0.08 0.43 -2.98 117.98 120.73 1wg5 s PHE 64 Ca 0.09 1.38 0.13 0.00 0.12 0.00 0.00 56.93 58.66 1wg5 s PHE 64 Cb -0.19 -3.15 0.95 0.00 -0.57 0.00 0.00 43.02 40.06 1wg5 s PHE 64 CO -0.08 -2.39 1.84 0.00 -0.10 0.00 0.00 175.22 174.48 1wg5 h ALA 65 N -1.55 2.01 -2.95 5.36 0.00 -1.68 -3.43 119.26 117.01 1wg5 h ALA 65 Ca -0.48 0.03 0.02 0.00 0.00 0.00 0.00 54.91 54.48 1wg5 h ALA 65 Cb 1.27 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.99 1wg5 h ALA 65 CO 0.52 -0.31 0.29 0.45 0.00 0.00 0.00 179.25 180.20 1wg5 s SER 66 N -5.61 -0.06 0.06 0.00 0.15 -1.26 -4.94 113.70 102.04 1wg5 s SER 66 Ca -0.09 -0.98 -0.22 0.00 0.70 0.00 0.00 55.95 55.36 1wg5 s SER 66 Cb 0.23 0.79 -0.14 0.00 -1.71 0.00 0.00 66.02 65.20 1wg5 s SER 66 CO 0.79 -1.55 1.54 -0.61 1.20 0.00 0.00 173.24 174.61 1wg5 h GLN 67 N 2.00 0.15 -1.27 5.44 -0.00 -1.87 -1.42 115.11 118.14 1wg5 h GLN 67 Ca -0.29 -0.04 0.37 0.00 -0.00 0.00 0.00 58.65 58.70 1wg5 h GLN 67 Cb 1.25 -0.02 -0.08 0.00 0.00 0.00 0.00 27.48 28.63 1wg5 h GLN 67 CO 0.36 0.34 0.88 1.05 0.00 0.00 0.00 178.83 181.45 1wg5 h GLU 68 N -0.06 0.12 0.18 1.69 4.11 -1.99 0.25 114.58 118.88 1wg5 h GLU 68 Ca 0.03 -0.01 -0.34 0.00 0.07 0.00 0.00 59.36 59.11 1wg5 h GLU 68 Cb 0.25 -0.03 0.01 0.00 0.50 0.00 0.00 28.75 29.49 1wg5 h GLU 68 CO 0.00 0.08 -1.70 0.82 0.07 0.00 0.00 179.01 178.28 1wg5 h ILE 69 N 0.12 0.95 -0.87 -1.06 2.04 -1.89 -3.32 117.51 113.48 1wg5 h ILE 69 Ca 0.67 -2.49 0.13 0.00 1.00 0.00 0.00 64.86 64.17 1wg5 h ILE 69 Cb 2.32 2.76 -0.09 0.00 -0.74 0.00 0.00 36.82 41.07 1wg5 h ILE 69 CO -0.17 0.84 0.49 0.00 0.00 0.00 0.00 178.15 179.31 1wg5 h ALA 70 N 0.09 1.30 -0.71 1.87 0.00 0.56 -0.48 119.26 121.88 1wg5 h ALA 70 Ca -0.34 0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.59 1wg5 h ALA 70 Cb 2.05 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 19.72 1wg5 h ALA 70 CO 0.16 0.02 0.31 0.93 0.00 0.00 0.00 179.25 180.67 1wg5 h GLU 71 N 0.74 1.04 -0.66 0.00 5.08 -1.36 -0.97 114.58 118.45 1wg5 h GLU 71 Ca 0.45 -0.16 0.02 0.00 -1.00 0.00 0.00 59.36 58.67 1wg5 h GLU 71 Cb 0.55 -0.18 -0.03 0.00 0.50 0.00 0.00 28.75 29.58 1wg5 h GLU 71 CO -0.31 0.83 0.44 0.87 -1.00 0.00 0.00 179.01 179.83 1wg5 h LYS 72 N 1.02 0.83 0.00 2.33 1.57 -1.19 -1.94 116.57 119.18 1wg5 h LYS 72 Ca 0.24 -0.05 -0.20 0.00 -1.87 0.00 0.00 60.65 58.77 1wg5 h LYS 72 Cb 0.16 -0.19 -0.03 0.00 0.08 0.00 0.00 32.23 32.25 1wg5 h LYS 72 CO -0.03 0.55 -0.99 0.00 -0.57 0.00 0.00 179.45 178.41 1wg5 h ALA 73 N 1.60 0.40 -0.80 3.86 0.00 -1.08 -3.31 119.26 119.94 1wg5 h ALA 73 Ca 0.25 -0.89 0.12 0.00 0.00 0.00 0.00 54.91 54.38 1wg5 h ALA 73 Cb -0.04 -0.12 -0.08 0.00 0.00 0.00 0.00 17.79 17.55 1wg5 h ALA 73 CO -0.06 1.21 0.41 -0.07 0.00 0.00 0.00 179.25 180.74 1wg5 h LEU 74 N 0.00 0.52 -1.06 0.00 3.38 -0.38 0.28 115.31 118.05 1wg5 h LEU 74 Ca -0.02 0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1wg5 h LEU 74 Cb 1.75 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 42.48 1wg5 h LEU 74 CO 0.12 0.26 0.17 0.29 0.09 0.00 0.00 178.44 179.38 1wg5 n LYS 75 N -4.85 0.11 -0.85 1.13 4.76 -1.16 -1.71 118.16 115.58 1wg5 n LYS 75 Ca 0.14 0.59 -0.15 0.00 -2.87 0.00 0.00 58.31 56.02 1wg5 n LYS 75 Cb 0.35 -2.02 0.04 0.00 -1.84 0.00 0.00 35.03 31.56 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 -2.10 1.74 -2.20 1.97 5.02 0.98 -4.95 118.16 118.62 1wg5 n LYS 76 Ca -0.01 -1.46 -0.33 0.00 -2.02 0.00 0.00 58.31 54.50 1wg5 n LYS 76 Cb 0.20 -1.57 -0.01 0.00 -0.02 0.00 0.00 35.03 33.63 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 -1.69 3.08 -0.90 2.13 2.46 -0.70 -3.20 115.29 116.48 1wg5 s HIS 77 Ca 0.29 1.51 0.00 0.00 0.47 0.00 0.00 55.06 57.33 1wg5 s HIS 77 Cb 0.23 -2.98 0.00 0.00 -0.13 0.00 0.00 32.58 29.70 1wg5 s HIS 77 CO -0.00 -0.92 0.00 1.63 -2.47 0.00 0.00 174.74 172.98 1wg5 n LYS 78 N -1.76 -1.66 -2.42 2.88 4.76 0.18 -4.88 118.16 115.26 1wg5 n LYS 78 Ca 0.08 0.68 -0.43 0.00 -2.87 0.00 0.00 58.31 55.77 1wg5 n LYS 78 Cb 0.53 -4.85 -0.02 0.00 -1.84 0.00 0.00 35.03 28.85 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 -2.49 3.92 0.25 1.97 0.41 -0.85 -4.15 118.70 117.77 1wg5 s GLU 79 Ca 0.00 1.26 -0.25 0.00 -0.41 0.00 0.00 54.97 55.57 1wg5 s GLU 79 Cb 0.00 -3.88 -0.09 0.00 -1.78 0.00 0.00 34.13 28.38 1wg5 s GLU 79 CO 0.00 -1.11 0.86 -0.98 -0.49 0.00 0.00 175.26 173.54 1wg5 s ARG 80 N 4.15 4.57 -0.40 1.61 1.04 -1.26 -1.17 118.95 127.48 1wg5 s ARG 80 Ca 0.56 1.23 0.01 0.00 -1.04 0.00 0.00 55.73 56.49 1wg5 s ARG 80 Cb -0.17 -3.01 0.11 0.00 -2.04 0.00 0.00 34.95 29.85 1wg5 s ARG 80 CO 0.23 0.41 0.16 0.42 -0.04 0.00 0.00 175.30 176.48 1wg5 s ILE 81 N -1.41 2.83 0.00 4.99 1.01 -0.83 -4.79 121.20 122.99 1wg5 s ILE 81 Ca 0.44 -2.34 0.00 0.00 0.00 0.00 0.00 60.65 58.75 1wg5 s ILE 81 Cb -0.21 -2.99 0.00 0.00 0.01 0.00 0.00 42.46 39.28 1wg5 s ILE 81 CO 0.25 -0.67 0.00 0.61 0.00 0.00 0.00 174.94 175.13 1wg5 n GLY 82 N 4.26 1.90 0.00 6.18 0.00 -1.26 -3.92 105.19 112.35 1wg5 n GLY 82 Ca 0.02 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 45.80 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 0.00 -3.15 1.61 1.44 -1.26 -5.13 115.22 108.73 1wg5 n HIS 83 Ca 0.00 0.00 0.04 0.00 -2.01 0.00 0.00 57.72 55.75 1wg5 n HIS 83 Cb 0.00 0.00 -0.01 0.00 0.12 0.00 0.00 29.99 30.10 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 0.00 0.54 0.24 -1.40 1.81 -1.25 -5.02 118.95 113.87 1wg5 s ARG 84 Ca 0.00 0.86 -0.31 0.00 -1.72 0.00 0.00 55.73 54.55 1wg5 s ARG 84 Cb 0.00 0.46 -0.13 0.00 -0.45 0.00 0.00 34.95 34.83 1wg5 s ARG 84 CO 0.00 -0.70 1.52 0.66 -0.68 0.00 0.00 175.30 176.10 1wg5 n TYR 85 N 5.43 2.43 -4.45 -0.53 4.01 -1.26 -1.96 117.16 120.82 1wg5 n TYR 85 Ca 0.00 0.32 -0.34 0.00 -0.16 0.00 0.00 57.90 57.72 1wg5 n TYR 85 Cb 0.52 -2.53 -0.11 0.00 -0.31 0.00 0.00 39.34 36.90 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 0.25 3.94 -0.38 -0.72 -1.09 -0.31 -4.53 121.20 118.35 1wg5 s ILE 86 Ca 0.70 -0.36 -0.10 0.00 -2.23 0.00 0.00 60.65 58.65 1wg5 s ILE 86 Cb -0.60 -2.68 0.04 0.00 -1.58 0.00 0.00 42.46 37.63 1wg5 s ILE 86 CO 0.46 0.54 0.20 -1.61 -1.23 0.00 0.00 174.94 173.30 1wg5 s GLU 87 N -0.16 2.76 -0.15 2.79 2.02 0.14 0.52 118.70 126.61 1wg5 s GLU 87 Ca 0.03 -1.16 -0.13 0.00 0.02 0.00 0.00 54.97 53.73 1wg5 s GLU 87 Cb -0.13 -3.71 -0.05 0.00 0.10 0.00 0.00 34.13 30.35 1wg5 s GLU 87 CO 0.02 -0.74 0.28 0.42 0.02 0.00 0.00 175.26 175.26 1wg5 s ILE 88 N 1.51 5.31 -0.05 -1.63 1.01 -1.26 -0.11 121.20 125.99 1wg5 s ILE 88 Ca 0.01 0.51 -0.01 0.00 0.00 0.00 0.00 60.65 61.16 1wg5 s ILE 88 Cb -0.20 -3.61 0.03 0.00 0.01 0.00 0.00 42.46 38.69 1wg5 s ILE 88 CO 0.06 0.42 0.03 -0.36 0.00 0.00 0.00 174.94 175.08 1wg5 s PHE 89 N 0.30 0.37 0.10 3.97 0.08 0.50 -4.88 117.98 118.43 1wg5 s PHE 89 Ca 0.16 0.03 -0.35 0.00 0.12 0.00 0.00 56.93 56.90 1wg5 s PHE 89 Cb -0.13 -0.63 -0.18 0.00 -0.57 0.00 0.00 43.02 41.51 1wg5 s PHE 89 CO 0.04 -0.25 0.93 1.17 -0.10 0.00 0.00 175.22 177.01 1wg5 n LYS 90 N 5.13 0.28 -2.74 0.44 0.00 -1.26 -1.09 118.16 118.92 1wg5 n LYS 90 Ca -0.07 0.10 -0.07 0.00 0.00 0.00 0.00 58.31 58.28 1wg5 n LYS 90 Cb 0.50 -1.45 -0.03 0.00 0.00 0.00 0.00 35.03 34.05 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 1.79 -0.16 -4.09 3.14 2.88 -0.72 -4.72 113.62 111.74 1wg5 n SER 91 Ca 0.18 -1.73 -0.07 0.00 -1.33 0.00 0.00 58.87 55.93 1wg5 n SER 91 Cb 0.17 0.54 -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 -1.77 0.52 0.13 -3.46 0.01 -1.26 -3.87 113.70 104.00 1wg5 s SER 92 Ca 0.13 -0.99 -0.23 0.00 1.31 0.00 0.00 55.95 56.17 1wg5 s SER 92 Cb 0.01 0.19 -0.03 0.00 0.21 0.00 0.00 66.02 66.39 1wg5 s SER 92 CO 0.09 -0.58 1.66 -0.09 0.41 0.00 0.00 173.24 174.73 1wg5 h ARG 93 N 3.18 -0.23 -0.51 12.44 9.65 -1.95 -2.58 114.38 134.38 1wg5 h ARG 93 Ca -0.34 0.02 0.10 0.00 -1.10 0.00 0.00 59.98 58.65 1wg5 h ARG 93 Cb 1.14 0.05 -0.10 0.00 -1.39 0.00 0.00 29.97 29.67 1wg5 h ARG 93 CO 0.65 -0.15 -0.27 0.00 2.80 0.00 0.00 179.97 183.00 1wg5 h ALA 94 N 0.76 0.04 -0.53 2.80 0.00 -2.04 -2.20 119.26 118.09 1wg5 h ALA 94 Ca 0.08 0.16 0.05 0.00 0.00 0.00 0.00 54.91 55.21 1wg5 h ALA 94 Cb 0.35 0.64 -0.08 0.00 0.00 0.00 0.00 17.79 18.70 1wg5 h ALA 94 CO -0.22 -0.62 -0.50 0.93 0.00 0.00 0.00 179.25 178.84 1wg5 h GLU 95 N -0.15 -0.23 -5.66 0.00 5.08 -1.88 -3.40 114.58 108.34 1wg5 h GLU 95 Ca 0.22 0.02 -0.75 0.00 -1.00 0.00 0.00 59.36 57.85 1wg5 h GLU 95 Cb 0.51 0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.79 1wg5 h GLU 95 CO -0.60 -0.15 1.10 0.28 -1.00 0.00 0.00 179.01 178.64 1wg5 n VAL 96 N -5.02 0.00 -2.52 3.13 0.31 -0.83 -4.84 118.33 108.56 1wg5 n VAL 96 Ca -0.02 0.00 -0.41 0.00 -0.01 0.00 0.00 64.34 63.90 1wg5 n VAL 96 Cb 0.28 -0.47 -0.04 0.00 -0.91 0.00 0.00 33.84 32.70 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 4.95 4.58 0.00 5.55 1.70 -1.26 -4.93 118.95 129.54 1wg5 s ARG 97 Ca 1.10 1.71 0.00 0.00 -0.47 0.00 0.00 55.73 58.06 1wg5 s ARG 97 Cb -1.41 -3.29 0.00 0.00 -0.57 0.00 0.00 34.95 29.68 1wg5 s ARG 97 CO 0.66 0.05 0.65 0.25 -1.08 0.00 0.00 175.30 175.83 1wg5 n THR 98 N 2.54 0.38 -2.10 4.99 -2.24 -1.26 -4.99 114.28 111.60 1wg5 n THR 98 Ca 0.03 -0.62 -0.39 0.00 -2.27 0.00 0.00 64.05 60.80 1wg5 n THR 98 Cb 0.46 0.88 -0.03 0.00 -2.10 0.00 0.00 70.33 69.55 1wg5 n THR 98 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1wg5 s SER 99 N -0.38 5.44 -0.04 3.42 0.01 -1.26 -4.94 113.70 115.95 1wg5 s SER 99 Ca 0.00 0.35 -0.10 0.00 1.31 0.00 0.00 55.95 57.51 1wg5 s SER 99 Cb 0.00 -2.53 0.02 0.00 0.21 0.00 0.00 66.02 63.71 1wg5 s SER 99 CO 0.00 -2.24 0.23 -0.83 0.41 0.00 0.00 173.24 170.81 1wg5 s GLY 100 N 7.39 -0.10 0.07 3.44 0.00 -1.26 -5.14 107.32 111.72 1wg5 s GLY 100 Ca 0.65 0.33 -0.31 0.00 0.00 0.00 0.00 44.72 45.39 1wg5 s GLY 100 CO 0.22 0.18 1.39 2.56 0.00 0.00 0.00 173.10 177.45 1wg5 s PRO 101 N -0.78 4.31 0.02 2.90 0.04 -1.26 -4.90 135.00 135.32 1wg5 s PRO 101 Ca -0.09 2.03 0.00 0.00 0.04 0.00 0.00 61.00 62.98 1wg5 s PRO 101 Cb -0.05 -3.38 0.00 0.00 0.04 0.00 0.00 34.50 31.12 1wg5 s PRO 101 CO 0.02 -0.48 0.00 0.43 0.04 0.00 0.00 177.00 177.01 1wg5 n SER 102 N 4.49 0.19 -4.57 6.66 7.64 -1.26 -5.00 113.62 121.78 1wg5 n SER 102 Ca 0.12 0.03 -0.41 0.00 1.01 0.00 0.00 58.87 59.61 1wg5 n SER 102 Cb 0.43 -0.06 -0.07 0.00 -1.01 0.00 0.00 64.21 63.50 1wg5 n SER 102 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1wg5 s SER 103 N -5.17 6.40 0.00 6.43 0.01 -1.26 -5.37 113.70 114.74 1wg5 s SER 103 Ca 0.00 0.14 0.00 0.00 1.31 0.00 0.00 55.95 57.40 1wg5 s SER 103 Cb 0.00 -2.31 0.00 0.00 0.21 0.00 0.00 66.02 63.92 1wg5 s SER 103 CO 0.00 -0.54 0.44 0.61 0.41 0.00 0.00 173.24 174.16