#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2fu5 n GLY 8 N 0.00 1.00 1.92 2.61 0.00 -1.26 -4.22 105.19 105.24 2fu5 n GLY 8 Ca 0.00 -0.77 -0.19 0.00 0.00 0.00 0.00 46.02 45.06 2fu5 n GLY 8 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 2fu5 n HIS 9 N 0.00 2.50 -0.04 1.61 -0.00 -1.26 -4.59 115.22 113.44 2fu5 n HIS 9 Ca 0.00 -1.84 -0.07 0.00 -0.00 0.00 0.00 57.72 55.81 2fu5 n HIS 9 Cb 0.00 -0.83 -0.04 0.00 -0.00 0.00 0.00 29.99 29.12 2fu5 n HIS 9 CO 0.00 0.00 0.00 -1.33 -0.00 0.00 0.00 176.34 175.01 2fu5 n MET 10 N -1.13 0.21 -4.32 -1.40 2.00 -1.26 -4.57 117.12 106.65 2fu5 n MET 10 Ca 0.52 0.06 -0.32 0.00 0.00 0.00 0.00 57.70 57.95 2fu5 n MET 10 Cb 1.44 -1.11 -0.16 0.00 0.00 0.00 0.00 33.22 33.38 2fu5 n MET 10 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 175.97 176.05 2fu5 s VAL 11 N -2.17 1.98 1.04 2.03 1.01 -1.26 -0.71 120.40 122.31 2fu5 s VAL 11 Ca -0.12 -0.91 -0.14 0.00 0.00 0.00 0.00 61.98 60.82 2fu5 s VAL 11 Cb 0.03 -1.78 0.21 0.00 0.00 0.00 0.00 36.38 34.84 2fu5 s VAL 11 CO 0.19 0.53 1.10 -0.94 0.00 0.00 0.00 175.10 175.98 2fu5 s SER 12 N 1.13 2.30 0.46 3.32 1.04 -0.27 -4.58 113.70 117.10 2fu5 s SER 12 Ca 0.00 1.05 0.17 0.00 0.48 0.00 0.00 55.95 57.66 2fu5 s SER 12 Cb -0.14 -1.64 1.14 0.00 0.10 0.00 0.00 66.02 65.48 2fu5 s SER 12 CO -0.08 -3.31 1.97 0.00 0.98 0.00 0.00 173.24 172.79 2fu5 h ALA 13 N -2.02 2.17 0.00 5.32 0.00 -2.00 0.35 119.26 123.08 2fu5 h ALA 13 Ca -0.53 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.37 2fu5 h ALA 13 Cb 1.33 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.08 2fu5 h ALA 13 CO 0.54 -0.32 0.00 0.39 0.00 0.00 0.00 179.25 179.86 2fu5 n GLU 14 N -4.45 0.72 -1.00 0.00 1.02 -1.26 -4.93 120.64 110.73 2fu5 n GLU 14 Ca 0.11 0.00 -0.00 0.00 -0.02 0.00 0.00 57.16 57.25 2fu5 n GLU 14 Cb 0.47 -1.50 -0.00 0.00 -0.02 0.00 0.00 31.44 30.39 2fu5 n GLU 14 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2fu5 n GLY 15 N 1.05 0.47 3.90 0.62 0.00 0.11 -4.97 105.19 106.37 2fu5 n GLY 15 Ca 0.19 -0.26 -0.28 0.00 0.00 0.00 0.00 46.02 45.67 2fu5 n GLY 15 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2fu5 s ARG 16 N -0.55 3.50 -0.18 1.61 0.52 -1.26 -1.08 118.95 121.52 2fu5 s ARG 16 Ca 0.00 0.25 -0.29 0.00 -0.52 0.00 0.00 55.73 55.16 2fu5 s ARG 16 Cb 0.00 -2.34 -0.03 0.00 0.52 0.00 0.00 34.95 33.11 2fu5 s ARG 16 CO 0.00 -0.28 1.48 0.54 0.02 0.00 0.00 175.30 177.06 2fu5 s ASN 17 N -4.13 6.64 0.24 0.23 4.22 -0.82 -1.11 114.94 120.21 2fu5 s ASN 17 Ca 0.49 1.73 -0.02 0.00 -2.14 0.00 0.00 52.86 52.92 2fu5 s ASN 17 Cb -0.10 -2.53 0.29 0.00 1.28 0.00 0.00 41.25 40.18 2fu5 s ASN 17 CO 0.46 -1.02 1.69 0.03 -2.04 0.00 0.00 177.10 176.22 2fu5 h ARG 18 N 9.55 0.70 -6.17 3.55 3.08 -1.20 0.20 114.38 124.09 2fu5 h ARG 18 Ca -0.32 -0.25 -0.53 0.00 0.07 0.00 0.00 59.98 58.95 2fu5 h ARG 18 Cb 1.14 -0.05 -0.05 0.00 0.08 0.00 0.00 29.97 31.09 2fu5 h ARG 18 CO 0.99 0.83 -0.51 0.15 -1.07 0.00 0.00 179.97 180.35 2fu5 s LYS 19 N -4.68 3.09 0.54 0.04 1.02 -1.26 -4.68 119.74 113.81 2fu5 s LYS 19 Ca -0.09 -0.86 -0.21 0.00 0.02 0.00 0.00 55.97 54.83 2fu5 s LYS 19 Cb 0.14 -2.72 -0.05 0.00 -0.52 0.00 0.00 37.83 34.68 2fu5 s LYS 19 CO 0.82 0.46 1.24 0.00 -0.92 0.00 0.00 175.35 176.95 2fu5 s ALA 20 N -1.91 2.75 -0.20 5.17 0.00 -0.57 -4.20 121.76 122.80 2fu5 s ALA 20 Ca 0.33 1.09 -0.07 0.00 0.00 0.00 0.00 51.96 53.31 2fu5 s ALA 20 Cb -0.09 -3.47 -0.04 0.00 0.00 0.00 0.00 23.12 19.52 2fu5 s ALA 20 CO 0.26 -1.09 0.05 0.08 0.00 0.00 0.00 175.76 175.06 2fu5 s VAL 21 N -1.49 4.54 0.12 0.00 1.01 -0.04 -1.74 120.40 122.80 2fu5 s VAL 21 Ca 0.72 -0.11 0.06 0.00 0.00 0.00 0.00 61.98 62.64 2fu5 s VAL 21 Cb -0.33 -3.06 -0.04 0.00 0.00 0.00 0.00 36.38 32.95 2fu5 s VAL 21 CO 0.38 0.43 -0.14 -0.76 0.00 0.00 0.00 175.10 175.00 2fu5 s LEU 22 N 0.74 2.39 0.20 3.92 1.43 0.21 0.06 118.68 127.62 2fu5 s LEU 22 Ca 0.03 -0.79 -0.33 0.00 -1.03 0.00 0.00 54.13 52.01 2fu5 s LEU 22 Cb -0.14 -0.57 -0.13 0.00 0.03 0.00 0.00 46.19 45.39 2fu5 s LEU 22 CO 0.02 -0.13 1.66 0.00 0.23 0.00 0.00 176.35 178.13 2fu5 h GLN 24 N 6.29 0.40 0.21 0.00 4.20 -1.87 -0.26 115.11 124.09 2fu5 h GLN 24 Ca -0.44 -0.12 -0.30 0.00 0.06 0.00 0.00 58.65 57.84 2fu5 h GLN 24 Cb 1.22 -0.04 0.03 0.00 0.30 0.00 0.00 27.48 28.99 2fu5 h GLN 24 CO 0.92 0.57 -1.38 0.00 -0.67 0.00 0.00 178.83 178.27 2fu5 h ARG 25 N 0.37 0.45 0.00 1.46 2.47 -1.93 -3.41 114.38 113.78 2fu5 h ARG 25 Ca 0.07 -0.77 0.00 0.00 -1.26 0.00 0.00 59.98 58.02 2fu5 h ARG 25 Cb 0.52 0.29 0.00 0.00 -1.65 0.00 0.00 29.97 29.13 2fu5 h ARG 25 CO 0.03 1.37 0.00 0.00 0.56 0.00 0.00 179.97 181.93 2fu5 n GLY 27 N 0.29 1.20 3.54 0.00 0.00 -0.11 -4.98 105.19 105.13 2fu5 n GLY 27 Ca 0.00 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.55 2fu5 n GLY 27 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2fu5 n SER 28 N 0.00 0.74 -4.56 1.61 2.88 -1.26 -4.47 113.62 108.56 2fu5 n SER 28 Ca 0.00 1.16 -0.42 0.00 -1.33 0.00 0.00 58.87 58.27 2fu5 n SER 28 Cb 0.00 -1.19 -0.06 0.00 -0.75 0.00 0.00 64.21 62.21 2fu5 n SER 28 CO 0.00 0.00 0.00 -0.60 -1.23 0.00 0.00 175.04 173.21 2fu5 s ARG 29 N -1.10 3.57 -0.13 -1.46 3.52 -1.26 -0.60 118.95 121.50 2fu5 s ARG 29 Ca 0.64 0.06 -0.08 0.00 -0.13 0.00 0.00 55.73 56.22 2fu5 s ARG 29 Cb -0.80 -3.87 -0.26 0.00 -1.56 0.00 0.00 34.95 28.46 2fu5 s ARG 29 CO 0.57 -0.95 0.35 0.28 -0.81 0.00 0.00 175.30 174.74 2fu5 n VAL 30 N 5.90 1.76 -3.78 7.11 0.31 0.11 -2.31 118.33 127.44 2fu5 n VAL 30 Ca 0.02 -0.60 -0.13 0.00 -0.01 0.00 0.00 64.34 63.62 2fu5 n VAL 30 Cb 0.48 -1.76 -0.12 0.00 -0.91 0.00 0.00 33.84 31.53 2fu5 n VAL 30 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 2fu5 s LEU 31 N -7.11 0.94 0.76 7.52 1.43 -1.01 -1.00 118.68 120.20 2fu5 s LEU 31 Ca -0.23 0.46 -0.11 0.00 -1.03 0.00 0.00 54.13 53.21 2fu5 s LEU 31 Cb 0.07 0.73 0.05 0.00 0.03 0.00 0.00 46.19 47.07 2fu5 s LEU 31 CO 0.75 -0.10 1.10 -1.10 0.23 0.00 0.00 176.35 177.23 2fu5 s GLN 32 N 0.48 2.27 0.58 1.70 -1.52 -1.26 -0.86 119.66 121.04 2fu5 s GLN 32 Ca -0.03 1.25 -0.20 0.00 -1.95 0.00 0.00 55.36 54.44 2fu5 s GLN 32 Cb -0.04 -1.89 -0.05 0.00 -0.22 0.00 0.00 33.01 30.81 2fu5 s GLN 32 CO -0.02 -1.65 1.11 -2.30 -0.25 0.00 0.00 175.29 172.18 2fu5 n PRO 33 N -3.34 1.14 -1.07 2.91 -0.02 -1.26 -3.46 135.00 129.90 2fu5 n PRO 33 Ca 0.10 0.43 -0.02 0.00 -2.02 0.00 0.00 63.50 61.99 2fu5 n PRO 33 Cb 0.53 -2.31 -0.01 0.00 -0.02 0.00 0.00 33.50 31.69 2fu5 n PRO 33 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2fu5 n GLY 34 N 1.10 0.56 0.72 -1.23 0.00 0.70 -4.90 105.19 102.14 2fu5 n GLY 34 Ca 0.13 -0.40 0.09 0.00 0.00 0.00 0.00 46.02 45.84 2fu5 n GLY 34 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2fu5 n THR 35 N -2.81 0.04 -3.86 2.61 -2.24 -1.22 -4.86 114.28 101.93 2fu5 n THR 35 Ca -0.02 -0.52 -0.09 0.00 -2.27 0.00 0.00 64.05 61.15 2fu5 n THR 35 Cb 0.13 1.34 -0.07 0.00 -2.10 0.00 0.00 70.33 69.63 2fu5 n THR 35 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2fu5 s ALA 36 N -1.46 -0.20 -0.04 6.98 0.00 -1.26 -4.73 121.76 121.05 2fu5 s ALA 36 Ca 0.21 -0.64 0.03 0.00 0.00 0.00 0.00 51.96 51.57 2fu5 s ALA 36 Cb 0.15 0.50 -0.03 0.00 0.00 0.00 0.00 23.12 23.74 2fu5 s ALA 36 CO 0.22 -0.51 -0.12 -0.51 0.00 0.00 0.00 175.76 174.84 2fu5 s LEU 37 N -2.87 2.86 0.20 0.00 1.43 -0.60 -1.95 118.68 117.75 2fu5 s LEU 37 Ca 0.05 -0.17 -0.30 0.00 -1.03 0.00 0.00 54.13 52.68 2fu5 s LEU 37 Cb 0.05 -1.61 -0.08 0.00 0.03 0.00 0.00 46.19 44.58 2fu5 s LEU 37 CO -0.11 0.33 1.17 0.12 0.23 0.00 0.00 176.35 178.10 2fu5 s PHE 38 N -0.79 3.47 -0.02 0.29 2.19 -0.24 0.24 117.98 123.11 2fu5 s PHE 38 Ca 0.13 1.49 0.01 0.00 0.33 0.00 0.00 56.93 58.89 2fu5 s PHE 38 Cb -0.11 -3.39 0.01 0.00 -1.31 0.00 0.00 43.02 38.22 2fu5 s PHE 38 CO 0.02 -1.02 -0.04 0.45 1.83 0.00 0.00 175.22 176.45 2fu5 s SER 39 N -0.07 0.66 -0.29 6.13 0.15 -0.24 -4.90 113.70 115.14 2fu5 s SER 39 Ca 0.51 -0.09 0.11 0.00 0.70 0.00 0.00 55.95 57.17 2fu5 s SER 39 Cb -0.32 -0.20 0.62 0.00 -1.71 0.00 0.00 66.02 64.41 2fu5 s SER 39 CO 0.37 0.00 1.63 0.54 1.20 0.00 0.00 173.24 176.98 2fu5 n ARG 40 N 3.46 2.84 -2.17 5.44 1.74 -1.26 -0.92 116.66 125.80 2fu5 n ARG 40 Ca -0.19 -3.05 -0.40 0.00 -0.77 0.00 0.00 57.85 53.44 2fu5 n ARG 40 Cb 0.55 -2.01 -0.02 0.00 -1.02 0.00 0.00 32.46 29.96 2fu5 n ARG 40 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 2fu5 s ARG 41 N -3.06 4.25 -0.13 5.56 3.52 -1.26 -4.73 118.95 123.10 2fu5 s ARG 41 Ca 0.49 2.10 -0.22 0.00 -0.13 0.00 0.00 55.73 57.97 2fu5 s ARG 41 Cb 0.41 -2.95 -0.03 0.00 -1.56 0.00 0.00 34.95 30.82 2fu5 s ARG 41 CO 0.08 -0.23 0.67 -1.14 -0.81 0.00 0.00 175.30 173.87 2fu5 s GLN 42 N -1.94 4.33 -0.00 5.12 0.74 -1.26 -4.22 119.66 122.42 2fu5 s GLN 42 Ca 0.51 0.76 0.01 0.00 0.05 0.00 0.00 55.36 56.69 2fu5 s GLN 42 Cb -0.37 -3.51 0.00 0.00 1.10 0.00 0.00 33.01 30.23 2fu5 s GLN 42 CO 0.48 -0.09 -0.03 -0.51 -0.55 0.00 0.00 175.29 174.60 2fu5 s LEU 43 N 1.37 1.93 -0.31 3.68 1.43 -0.30 -4.96 118.68 121.52 2fu5 s LEU 43 Ca 0.33 -0.05 -0.21 0.00 -1.03 0.00 0.00 54.13 53.16 2fu5 s LEU 43 Cb -0.17 -0.17 -0.00 0.00 0.03 0.00 0.00 46.19 45.88 2fu5 s LEU 43 CO 0.14 0.03 0.69 0.12 0.23 0.00 0.00 176.35 177.55 2fu5 s PHE 44 N 0.03 3.21 -0.24 0.29 5.36 -1.26 -0.67 117.98 124.69 2fu5 s PHE 44 Ca 0.00 0.66 -0.04 0.00 -0.96 0.00 0.00 56.93 56.59 2fu5 s PHE 44 Cb -0.02 -3.08 0.01 0.00 -0.34 0.00 0.00 43.02 39.58 2fu5 s PHE 44 CO -0.00 -0.52 -0.02 -0.51 -1.46 0.00 0.00 175.22 172.71 2fu5 s LEU 45 N 2.75 3.19 0.57 6.12 1.02 0.01 -4.97 118.68 127.38 2fu5 s LEU 45 Ca 0.28 -0.60 -0.19 0.00 0.02 0.00 0.00 54.13 53.64 2fu5 s LEU 45 Cb -0.15 -1.75 -0.07 0.00 0.02 0.00 0.00 46.19 44.25 2fu5 s LEU 45 CO 0.12 -0.09 0.77 -2.65 0.02 0.00 0.00 176.35 174.52 2fu5 n PRO 46 N 4.78 0.74 -1.46 1.29 -0.02 -1.26 -0.47 135.00 138.61 2fu5 n PRO 46 Ca -0.17 0.29 -0.36 0.00 -2.02 0.00 0.00 63.50 61.24 2fu5 n PRO 46 Cb 0.49 -1.94 0.09 0.00 -0.02 0.00 0.00 33.50 32.11 2fu5 n PRO 46 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 2fu5 n SER 47 N -0.11 1.19 0.07 2.55 2.88 0.05 -4.31 113.62 115.93 2fu5 n SER 47 Ca 0.13 0.72 0.13 0.00 -1.33 0.00 0.00 58.87 58.51 2fu5 n SER 47 Cb 0.47 -1.48 0.38 0.00 -0.75 0.00 0.00 64.21 62.82 2fu5 n SER 47 CO 0.00 0.00 0.00 0.23 -1.23 0.00 0.00 175.04 174.04 2fu5 n MET 48 N -2.11 0.21 -4.43 -1.46 2.81 -1.26 -4.53 117.12 106.34 2fu5 n MET 48 Ca 0.14 0.13 -0.25 0.00 -1.81 0.00 0.00 57.70 55.92 2fu5 n MET 48 Cb 0.49 -1.70 -0.11 0.00 -0.71 0.00 0.00 33.22 31.19 2fu5 n MET 48 CO 0.00 0.00 0.00 1.03 1.51 0.00 0.00 175.97 178.51 2fu5 s ARG 49 N -3.09 1.57 -0.52 0.03 3.00 -1.26 -4.79 118.95 113.88 2fu5 s ARG 49 Ca 0.10 -1.63 -0.28 0.00 0.00 0.00 0.00 55.73 53.92 2fu5 s ARG 49 Cb 0.14 -1.74 0.03 0.00 0.00 0.00 0.00 34.95 33.38 2fu5 s ARG 49 CO 0.62 0.35 1.11 -1.59 0.00 0.00 0.00 175.30 175.79 2fu5 s LYS 50 N -3.11 3.57 -0.02 3.54 0.00 -1.26 -5.03 119.74 117.44 2fu5 s LYS 50 Ca 0.25 0.30 0.15 0.00 0.00 0.00 0.00 55.97 56.67 2fu5 s LYS 50 Cb -0.06 -3.97 -0.24 0.00 0.00 0.00 0.00 37.83 33.57 2fu5 s LYS 50 CO 0.12 -1.48 0.33 -0.40 0.00 0.00 0.00 175.35 173.91 2fu5 n ASP 61 N 7.93 1.53 0.00 0.03 5.75 -1.26 -5.16 116.55 125.37 2fu5 n ASP 61 Ca 0.09 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.87 2fu5 n ASP 61 Cb 0.49 1.69 0.00 0.00 -1.03 0.00 0.00 41.12 42.26 2fu5 n ASP 61 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2fu5 n GLY 62 N 1.64 -1.15 3.18 6.12 0.00 -1.26 -0.77 105.19 112.96 2fu5 n GLY 62 Ca -0.03 -0.86 -0.25 0.00 0.00 0.00 0.00 46.02 44.89 2fu5 n GLY 62 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2fu5 s ASP 63 N -4.00 2.12 -0.44 1.61 -0.00 0.38 -4.84 116.67 111.50 2fu5 s ASP 63 Ca 0.00 -0.36 -0.24 0.00 -0.00 0.00 0.00 52.55 51.95 2fu5 s ASP 63 Cb 0.00 -0.22 0.02 0.00 -0.00 0.00 0.00 42.92 42.72 2fu5 s ASP 63 CO 0.00 0.20 0.83 -0.76 -0.00 0.00 0.00 175.17 175.44 2fu5 s LEU 64 N -0.58 4.16 0.06 1.23 1.43 -1.26 -0.81 118.68 122.91 2fu5 s LEU 64 Ca 0.07 0.01 0.07 0.00 -1.03 0.00 0.00 54.13 53.24 2fu5 s LEU 64 Cb -0.07 -3.04 -0.03 0.00 0.03 0.00 0.00 46.19 43.07 2fu5 s LEU 64 CO -0.00 -0.94 -0.15 -0.76 0.23 0.00 0.00 176.35 174.73 2fu5 s LEU 65 N 3.42 2.80 -0.06 1.79 1.43 0.16 -4.90 118.68 123.31 2fu5 s LEU 65 Ca 0.32 -0.39 0.21 0.00 -1.03 0.00 0.00 54.13 53.25 2fu5 s LEU 65 Cb -0.12 -1.63 0.42 0.00 0.03 0.00 0.00 46.19 44.89 2fu5 s LEU 65 CO 0.23 0.24 1.18 0.00 0.23 0.00 0.00 176.35 178.23 2fu5 n GLN 66 N 1.30 0.48 -3.66 1.70 6.02 -1.26 -1.15 117.38 120.80 2fu5 n GLN 66 Ca -0.15 -2.37 -0.21 0.00 -0.01 0.00 0.00 57.00 54.26 2fu5 n GLN 66 Cb 0.52 -0.50 -0.18 0.00 1.02 0.00 0.00 30.24 31.11 2fu5 n GLN 66 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 2fu5 s GLU 67 N -0.97 -0.06 0.05 -1.09 2.02 -1.26 -4.27 118.70 113.13 2fu5 s GLU 67 Ca 0.35 0.33 -0.06 0.00 0.02 0.00 0.00 54.97 55.60 2fu5 s GLU 67 Cb 0.38 -0.68 -0.01 0.00 0.10 0.00 0.00 34.13 33.92 2fu5 s GLU 67 CO -0.14 -0.37 0.12 -1.01 0.02 0.00 0.00 175.26 173.88 2fu5 s HIS 68 N 2.17 0.19 -0.14 1.61 3.76 -0.09 -2.04 115.29 120.74 2fu5 s HIS 68 Ca 0.05 -0.52 -0.18 0.00 -0.15 0.00 0.00 55.06 54.25 2fu5 s HIS 68 Cb -0.13 -0.13 -0.04 0.00 1.11 0.00 0.00 32.58 33.40 2fu5 s HIS 68 CO -0.04 -0.41 0.49 -1.58 -0.85 0.00 0.00 174.74 172.35 2fu5 s TRP 69 N -2.95 3.47 -0.28 1.40 0.52 0.74 -1.08 118.94 120.75 2fu5 s TRP 69 Ca -0.02 0.85 -0.12 0.00 0.02 0.00 0.00 56.10 56.84 2fu5 s TRP 69 Cb 0.01 -2.59 -0.05 0.00 -1.15 0.00 0.00 33.47 29.69 2fu5 s TRP 69 CO -0.06 0.09 0.23 -1.17 0.02 0.00 0.00 176.95 176.05 2fu5 s LEU 70 N 0.93 4.03 -0.09 2.99 2.96 0.14 -0.73 118.68 128.90 2fu5 s LEU 70 Ca 0.25 0.06 0.01 0.00 -0.22 0.00 0.00 54.13 54.23 2fu5 s LEU 70 Cb -0.15 -2.18 -0.02 0.00 0.50 0.00 0.00 46.19 44.33 2fu5 s LEU 70 CO 0.10 -0.07 -0.11 -0.69 -1.32 0.00 0.00 176.35 174.26 2fu5 s VAL 71 N 1.79 3.30 -1.41 1.68 1.01 0.66 -1.56 120.40 125.86 2fu5 s VAL 71 Ca 0.09 -0.61 0.23 0.00 0.00 0.00 0.00 61.98 61.69 2fu5 s VAL 71 Cb -0.16 -2.35 -0.02 0.00 0.00 0.00 0.00 36.38 33.85 2fu5 s VAL 71 CO 0.11 0.56 1.20 1.21 0.00 0.00 0.00 175.10 178.18 2fu5 n GLU 72 N 2.78 0.47 -3.68 2.72 2.13 -1.26 -1.06 120.64 122.74 2fu5 n GLU 72 Ca -0.18 -0.35 -0.12 0.00 0.66 0.00 0.00 57.16 57.17 2fu5 n GLU 72 Cb 0.53 -1.49 -0.08 0.00 0.27 0.00 0.00 31.44 30.66 2fu5 n GLU 72 CO 0.00 0.00 0.00 0.34 -0.41 0.00 0.00 177.13 177.06 2fu5 s ASP 73 N -2.77 -0.63 0.53 4.31 2.15 -1.26 -4.32 116.67 114.68 2fu5 s ASP 73 Ca 0.15 1.17 0.21 0.00 0.43 0.00 0.00 52.55 54.51 2fu5 s ASP 73 Cb 0.18 1.16 1.38 0.00 -0.30 0.00 0.00 42.92 45.33 2fu5 s ASP 73 CO 0.69 -0.20 2.09 0.00 -0.17 0.00 0.00 175.17 177.57 2fu5 h MET 74 N 5.64 0.00 -0.00 4.34 -0.00 -1.90 -1.51 114.93 121.50 2fu5 h MET 74 Ca -0.29 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.41 2fu5 h MET 74 Cb 1.18 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.78 2fu5 h MET 74 CO 0.16 0.00 -0.03 1.19 -0.00 0.00 0.00 176.91 178.23 2fu5 n PHE 75 N -4.38 0.00 0.15 -0.10 3.01 -1.26 -2.86 117.46 112.02 2fu5 n PHE 75 Ca 0.02 0.00 0.01 0.00 1.01 0.00 0.00 57.45 58.50 2fu5 n PHE 75 Cb 0.31 -0.13 0.22 0.00 -0.01 0.00 0.00 39.48 39.88 2fu5 n PHE 75 CO 0.00 0.00 0.00 0.82 1.01 0.00 0.00 176.76 178.59 2fu5 h ILE 76 N 0.33 1.25 -2.76 4.37 2.04 -1.70 -3.44 117.51 117.60 2fu5 h ILE 76 Ca 0.00 -1.93 -0.57 0.00 1.00 0.00 0.00 64.86 63.36 2fu5 h ILE 76 Cb 0.21 2.08 0.08 0.00 -0.74 0.00 0.00 36.82 38.45 2fu5 h ILE 76 CO 0.00 0.53 0.68 0.49 0.00 0.00 0.00 178.15 179.84 2fu5 n PHE 77 N -3.70 2.30 0.10 1.37 3.01 -1.14 -4.79 117.46 114.61 2fu5 n PHE 77 Ca -0.01 0.39 -0.10 0.00 1.01 0.00 0.00 57.45 58.73 2fu5 n PHE 77 Cb 0.58 -2.49 -0.07 0.00 -0.01 0.00 0.00 39.48 37.49 2fu5 n PHE 77 CO 0.00 0.00 0.00 1.49 1.01 0.00 0.00 176.76 179.26 2fu5 h GLU 78 N 4.45 -0.31 -2.94 -1.08 4.57 -1.30 -3.46 114.58 114.51 2fu5 h GLU 78 Ca -0.45 0.02 -0.18 0.00 -1.18 0.00 0.00 59.36 57.57 2fu5 h GLU 78 Cb 1.26 0.07 -0.29 0.00 -0.16 0.00 0.00 28.75 29.63 2fu5 h GLU 78 CO 0.77 0.05 -0.45 -0.80 -1.18 0.00 0.00 179.01 177.40 2fu5 s ASN 79 N -5.29 -0.29 -0.11 1.04 0.01 -0.98 -4.99 114.94 104.33 2fu5 s ASN 79 Ca -0.12 0.60 -0.30 0.00 -0.71 0.00 0.00 52.86 52.33 2fu5 s ASN 79 Cb 0.01 0.50 0.10 0.00 0.41 0.00 0.00 41.25 42.26 2fu5 s ASN 79 CO 0.43 -0.17 0.84 0.54 -1.51 0.00 0.00 177.10 177.22 2fu5 s VAL 80 N 1.35 0.00 -0.03 1.60 0.11 -1.26 -4.23 120.40 117.94 2fu5 s VAL 80 Ca -0.09 0.00 -0.02 0.00 -2.93 0.00 0.00 61.98 58.94 2fu5 s VAL 80 Cb -0.10 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 33.71 2fu5 s VAL 80 CO -0.09 0.00 0.12 -0.83 -3.33 0.00 0.00 175.10 170.96 2fu5 s GLY 81 N -1.07 2.08 -0.17 6.54 0.00 -0.13 -4.62 107.32 109.95 2fu5 s GLY 81 Ca -0.06 -0.79 -0.03 0.00 0.00 0.00 0.00 44.72 43.83 2fu5 s GLY 81 CO 0.05 -0.65 -0.06 -1.36 0.00 0.00 0.00 173.10 171.09 2fu5 s PHE 82 N -1.19 2.96 0.75 1.90 0.40 -1.26 -0.53 117.98 121.01 2fu5 s PHE 82 Ca 0.22 -0.54 -0.11 0.00 -0.60 0.00 0.00 56.93 55.91 2fu5 s PHE 82 Cb -0.12 -1.98 0.04 0.00 0.51 0.00 0.00 43.02 41.47 2fu5 s PHE 82 CO 0.13 -0.21 1.08 0.95 0.70 0.00 0.00 175.22 177.86 2fu5 s THR 83 N 0.68 3.58 0.94 0.64 -4.23 -0.49 -5.00 115.64 111.76 2fu5 s THR 83 Ca -0.03 0.51 -0.12 0.00 -1.18 0.00 0.00 61.69 60.88 2fu5 s THR 83 Cb -0.15 -3.15 0.08 0.00 1.34 0.00 0.00 72.50 70.62 2fu5 s THR 83 CO 0.02 -0.67 0.70 0.29 -0.54 0.00 0.00 174.62 174.42 2fu5 n LYS 84 N -3.35 -0.37 -1.72 3.99 4.76 -1.26 -4.61 118.16 115.60 2fu5 n LYS 84 Ca 0.08 -0.06 -0.41 0.00 -2.87 0.00 0.00 58.31 55.06 2fu5 n LYS 84 Cb 0.54 -2.06 0.01 0.00 -1.84 0.00 0.00 35.03 31.68 2fu5 n LYS 84 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 2fu5 n ASP 85 N -2.49 2.83 -3.86 4.39 10.43 -1.26 -4.68 116.55 121.90 2fu5 n ASP 85 Ca 0.09 1.12 -0.30 0.00 2.57 0.00 0.00 54.79 58.26 2fu5 n ASP 85 Cb 0.53 -1.53 -0.14 0.00 1.84 0.00 0.00 41.12 41.81 2fu5 n ASP 85 CO 0.00 0.00 0.00 -0.69 -1.07 0.00 0.00 177.20 175.44 2fu5 s VAL 86 N -1.19 1.75 0.00 2.53 1.01 0.70 -4.96 120.40 120.24 2fu5 s VAL 86 Ca 0.61 -2.29 0.00 0.00 0.00 0.00 0.00 61.98 60.30 2fu5 s VAL 86 Cb -0.49 -2.27 0.00 0.00 0.00 0.00 0.00 36.38 33.62 2fu5 s VAL 86 CO 0.58 -0.72 0.00 0.61 0.00 0.00 0.00 175.10 175.57 2fu5 n GLY 87 N 4.07 3.92 1.77 4.51 0.00 -1.26 -1.61 105.19 116.58 2fu5 n GLY 87 Ca 0.03 -0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.08 2fu5 n GLY 87 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2fu5 n ASN 88 N 6.56 5.13 -4.65 1.61 3.02 -1.26 -4.95 115.26 120.72 2fu5 n ASN 88 Ca 0.00 -3.06 -0.35 0.00 -0.03 0.00 0.00 54.58 51.14 2fu5 n ASN 88 Cb 0.00 -0.68 -0.10 0.00 -0.61 0.00 0.00 39.78 38.39 2fu5 n ASN 88 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2fu5 s ILE 89 N -2.87 4.19 -0.10 2.41 1.01 -0.64 -0.26 121.20 124.94 2fu5 s ILE 89 Ca 0.53 -0.29 0.04 0.00 0.00 0.00 0.00 60.65 60.93 2fu5 s ILE 89 Cb 0.41 -2.76 -0.00 0.00 0.01 0.00 0.00 42.46 40.12 2fu5 s ILE 89 CO 0.14 0.59 -0.23 -0.54 0.00 0.00 0.00 174.94 174.91 2fu5 s LYS 90 N -0.77 3.06 0.28 2.79 1.02 0.10 -0.21 119.74 126.01 2fu5 s LYS 90 Ca 0.12 -0.85 -0.07 0.00 0.02 0.00 0.00 55.97 55.19 2fu5 s LYS 90 Cb -0.11 -2.34 -0.06 0.00 -0.52 0.00 0.00 37.83 34.80 2fu5 s LYS 90 CO 0.02 0.20 0.57 -0.06 -0.92 0.00 0.00 175.35 175.17 2fu5 s PHE 91 N 0.30 3.46 -0.07 3.18 0.40 -1.26 -0.87 117.98 123.12 2fu5 s PHE 91 Ca -0.17 0.75 -0.05 0.00 -0.60 0.00 0.00 56.93 56.87 2fu5 s PHE 91 Cb -0.17 -2.19 -0.04 0.00 0.51 0.00 0.00 43.02 41.13 2fu5 s PHE 91 CO 0.08 0.17 0.14 -0.51 0.70 0.00 0.00 175.22 175.80 2fu5 s LEU 92 N -3.37 4.29 0.21 -0.37 1.43 -0.43 -1.39 118.68 119.05 2fu5 s LEU 92 Ca 0.46 0.38 0.01 0.00 -1.03 0.00 0.00 54.13 53.95 2fu5 s LEU 92 Cb -0.11 -2.24 -0.05 0.00 0.03 0.00 0.00 46.19 43.82 2fu5 s LEU 92 CO 0.28 0.35 0.06 0.68 0.23 0.00 0.00 176.35 177.95 2fu5 s VAL 93 N -1.13 0.54 0.18 -1.59 -7.23 0.32 -0.52 120.40 110.96 2fu5 s VAL 93 Ca 0.19 -1.99 -0.31 0.00 -1.81 0.00 0.00 61.98 58.07 2fu5 s VAL 93 Cb -0.12 -2.39 -0.10 0.00 0.56 0.00 0.00 36.38 34.33 2fu5 s VAL 93 CO 0.09 -0.21 1.50 0.00 -0.31 0.00 0.00 175.10 176.17 2fu5 h ALA 95 N 6.34 1.82 0.00 0.00 0.00 -1.82 -1.36 119.26 124.24 2fu5 h ALA 95 Ca -0.43 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.39 2fu5 h ALA 95 Cb 1.21 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.99 2fu5 h ALA 95 CO 0.87 0.04 -0.72 -0.25 0.00 0.00 0.00 179.25 179.19 2fu5 n ASP 96 N -4.32 1.83 -0.19 0.00 10.43 -1.26 -4.61 116.55 118.43 2fu5 n ASP 96 Ca -0.03 0.57 0.11 0.00 2.57 0.00 0.00 54.79 58.01 2fu5 n ASP 96 Cb 0.12 -0.88 -0.05 0.00 1.84 0.00 0.00 41.12 42.16 2fu5 n ASP 96 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 2fu5 n GLU 98 N -0.93 -1.20 -2.36 0.00 1.02 -0.51 -4.97 120.64 111.70 2fu5 n GLU 98 Ca 0.06 0.94 -0.40 0.00 -0.02 0.00 0.00 57.16 57.75 2fu5 n GLU 98 Cb 0.38 -5.12 -0.03 0.00 -0.02 0.00 0.00 31.44 26.65 2fu5 n GLU 98 CO 0.00 0.00 0.00 -1.50 1.18 0.00 0.00 177.13 176.81 2fu5 s ILE 99 N -2.35 3.26 -2.78 -3.67 1.10 -1.26 -4.60 121.20 110.90 2fu5 s ILE 99 Ca 0.00 1.19 0.00 0.00 -0.51 0.00 0.00 60.65 61.33 2fu5 s ILE 99 Cb 0.00 -3.73 0.00 0.00 0.15 0.00 0.00 42.46 38.88 2fu5 s ILE 99 CO 0.00 0.23 0.00 0.61 -2.11 0.00 0.00 174.94 173.67 2fu5 n GLY 100 N 0.90 -1.73 3.74 1.50 0.00 -1.26 -1.26 105.19 107.09 2fu5 n GLY 100 Ca 0.01 -1.11 -0.41 0.00 0.00 0.00 0.00 46.02 44.50 2fu5 n GLY 100 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2fu5 s PRO 101 N -1.56 4.29 0.00 1.61 0.02 -1.26 -4.36 135.00 133.73 2fu5 s PRO 101 Ca 0.00 2.26 0.22 0.00 0.02 0.00 0.00 61.00 63.50 2fu5 s PRO 101 Cb 0.00 -3.13 -0.03 0.00 0.02 0.00 0.00 34.50 31.36 2fu5 s PRO 101 CO 0.00 -0.40 1.06 0.44 -0.33 0.00 0.00 177.00 177.77 2fu5 n ILE 102 N 2.51 0.00 -3.43 2.83 -5.35 0.32 -4.83 119.36 111.42 2fu5 n ILE 102 Ca 0.07 -0.21 0.00 0.00 -0.27 0.00 0.00 62.75 62.34 2fu5 n ILE 102 Cb 0.41 1.20 0.00 0.00 -1.74 0.00 0.00 39.64 39.51 2fu5 n ILE 102 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2fu5 n GLY 103 N 1.43 1.24 3.50 3.28 0.00 -1.16 -1.57 105.19 111.91 2fu5 n GLY 103 Ca 0.08 -0.89 -0.13 0.00 0.00 0.00 0.00 46.02 45.09 2fu5 n GLY 103 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 2fu5 s TRP 104 N -5.24 -0.69 -0.12 1.61 -0.00 -0.24 -1.32 118.94 112.95 2fu5 s TRP 104 Ca 0.00 1.64 -0.07 0.00 -0.00 0.00 0.00 56.10 57.67 2fu5 s TRP 104 Cb 0.00 0.26 0.04 0.00 -0.00 0.00 0.00 33.47 33.77 2fu5 s TRP 104 CO 0.00 -0.33 0.28 -1.58 -0.00 0.00 0.00 176.95 175.32 2fu5 s HIS 105 N 0.45 -0.38 -0.24 5.86 5.65 -0.05 -1.57 115.29 125.03 2fu5 s HIS 105 Ca -0.01 0.87 -0.10 0.00 0.25 0.00 0.00 55.06 56.07 2fu5 s HIS 105 Cb -0.04 0.10 -0.05 0.00 -1.18 0.00 0.00 32.58 31.41 2fu5 s HIS 105 CO -0.01 -0.24 0.15 0.00 -0.65 0.00 0.00 174.74 173.99 2fu5 h LEU 107 N 7.47 0.00 -1.98 0.00 3.38 -1.00 -1.87 115.31 121.31 2fu5 h LEU 107 Ca -0.38 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.58 2fu5 h LEU 107 Cb 1.17 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.92 2fu5 h LEU 107 CO 0.66 0.05 -0.04 0.44 0.09 0.00 0.00 178.44 179.64 2fu5 h ASP 108 N 0.00 0.00 -4.13 -0.43 3.32 -1.95 -3.34 116.42 109.88 2fu5 h ASP 108 Ca -0.00 0.00 -0.69 0.00 0.02 0.00 0.00 57.03 56.36 2fu5 h ASP 108 Cb 0.23 0.00 -0.36 0.00 0.22 0.00 0.00 39.33 39.41 2fu5 h ASP 108 CO 0.01 0.04 -0.39 -1.81 -1.72 0.00 0.00 179.24 175.37 2fu5 s ASP 109 N -5.69 5.11 0.63 6.45 -0.00 -0.70 -4.96 116.67 117.51 2fu5 s ASP 109 Ca -0.02 -2.99 0.41 0.00 -0.00 0.00 0.00 52.55 49.96 2fu5 s ASP 109 Cb 0.11 -1.82 2.10 0.00 -0.00 0.00 0.00 42.92 43.32 2fu5 s ASP 109 CO 0.52 -0.32 2.25 0.11 -0.00 0.00 0.00 175.17 177.74 2fu5 h LYS 110 N 6.80 0.00 -0.33 8.23 1.57 -1.79 -3.04 116.57 128.00 2fu5 h LYS 110 Ca -0.01 0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 58.63 2fu5 h LYS 110 Cb 0.92 0.00 -0.09 0.00 0.08 0.00 0.00 32.23 33.15 2fu5 h LYS 110 CO 0.72 0.00 -0.05 0.27 -0.57 0.00 0.00 179.45 179.82 2fu5 n ASN 111 N -3.08 2.76 -3.65 0.86 6.94 -1.26 -4.81 115.26 113.01 2fu5 n ASN 111 Ca -0.02 -3.61 -0.25 0.00 -0.02 0.00 0.00 54.58 50.68 2fu5 n ASN 111 Cb 0.14 -0.62 -0.17 0.00 -2.36 0.00 0.00 39.78 36.78 2fu5 n ASN 111 CO 0.00 0.00 0.00 -0.44 -1.03 0.00 0.00 177.26 175.79 2fu5 s SER 112 N -2.41 2.22 -0.01 0.53 0.01 -1.15 -4.10 113.70 108.78 2fu5 s SER 112 Ca 0.44 -0.52 0.03 0.00 1.31 0.00 0.00 55.95 57.22 2fu5 s SER 112 Cb 0.39 -0.30 -0.01 0.00 0.21 0.00 0.00 66.02 66.31 2fu5 s SER 112 CO 0.02 -0.32 -0.12 -0.36 0.41 0.00 0.00 173.24 172.87 2fu5 s PHE 113 N 2.08 1.07 -0.08 2.43 0.40 -0.23 -4.45 117.98 119.22 2fu5 s PHE 113 Ca 0.02 -0.23 0.04 0.00 -0.60 0.00 0.00 56.93 56.16 2fu5 s PHE 113 Cb -0.15 -0.71 0.00 0.00 0.51 0.00 0.00 43.02 42.67 2fu5 s PHE 113 CO -0.08 -0.05 -0.19 0.71 0.70 0.00 0.00 175.22 176.32 2fu5 s TYR 114 N -0.15 2.03 -0.19 0.36 1.51 -0.61 -0.25 117.35 120.06 2fu5 s TYR 114 Ca 0.02 -0.76 -0.01 0.00 -1.01 0.00 0.00 57.07 55.31 2fu5 s TYR 114 Cb -0.06 -1.39 0.00 0.00 -0.11 0.00 0.00 41.96 40.40 2fu5 s TYR 114 CO -0.00 -0.32 -0.12 0.08 -1.11 0.00 0.00 175.55 174.08 2fu5 s VAL 115 N 0.38 2.81 -0.15 0.71 1.01 0.09 -1.08 120.40 124.17 2fu5 s VAL 115 Ca -0.14 -0.70 -0.29 0.00 0.00 0.00 0.00 61.98 60.85 2fu5 s VAL 115 Cb -0.16 -2.23 -0.02 0.00 0.00 0.00 0.00 36.38 33.97 2fu5 s VAL 115 CO 0.06 0.48 1.37 0.00 0.00 0.00 0.00 175.10 177.01 2fu5 s ALA 116 N 1.19 3.61 0.37 5.51 0.00 -0.61 -0.19 121.76 131.65 2fu5 s ALA 116 Ca 0.02 0.54 0.12 0.00 0.00 0.00 0.00 51.96 52.64 2fu5 s ALA 116 Cb -0.14 -3.67 0.90 0.00 0.00 0.00 0.00 23.12 20.21 2fu5 s ALA 116 CO -0.05 -1.30 1.85 -0.07 0.00 0.00 0.00 175.76 176.19 2fu5 h LEU 117 N 10.02 0.58 -2.41 0.00 4.07 -1.74 0.14 115.31 125.96 2fu5 h LEU 117 Ca -0.30 0.05 0.00 0.00 0.08 0.00 0.00 57.88 57.71 2fu5 h LEU 117 Cb 1.12 -0.06 0.00 0.00 1.08 0.00 0.00 40.66 42.80 2fu5 h LEU 117 CO 0.97 0.26 0.00 -0.08 -1.08 0.00 0.00 178.44 178.51 2fu5 h GLU 118 N 0.60 0.00 -0.25 1.13 4.81 -1.91 -2.86 114.58 116.09 2fu5 h GLU 118 Ca 0.48 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.71 2fu5 h GLU 118 Cb 0.92 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.30 2fu5 h GLU 118 CO -0.22 0.00 0.00 0.54 -0.73 0.00 0.00 179.01 178.60 2fu5 n ARG 119 N -2.97 2.01 -4.33 1.92 5.12 0.47 -4.98 116.66 113.91 2fu5 n ARG 119 Ca -0.02 -1.89 -0.21 0.00 -1.93 0.00 0.00 57.85 53.80 2fu5 n ARG 119 Cb 0.12 -1.37 -0.08 0.00 -1.16 0.00 0.00 32.46 29.98 2fu5 n ARG 119 CO 0.00 0.00 0.00 0.14 -1.93 0.00 0.00 177.63 175.84 2fu5 s VAL 120 N -1.23 0.09 0.29 1.55 -7.23 -1.08 -4.55 120.40 108.23 2fu5 s VAL 120 Ca 0.27 -2.00 0.07 0.00 -1.81 0.00 0.00 61.98 58.51 2fu5 s VAL 120 Cb 0.16 -2.46 -0.06 0.00 0.56 0.00 0.00 36.38 34.58 2fu5 s VAL 120 CO 0.23 0.00 -0.05 -0.44 -0.31 0.00 0.00 175.10 174.52 2fu5 s SER 121 N -3.43 2.82 -0.04 4.85 0.01 0.35 -4.79 113.70 113.48 2fu5 s SER 121 Ca 0.38 -1.20 0.01 0.00 1.31 0.00 0.00 55.95 56.44 2fu5 s SER 121 Cb 0.02 -0.18 0.02 0.00 0.21 0.00 0.00 66.02 66.09 2fu5 s SER 121 CO 0.26 -0.35 -0.04 -1.00 0.41 0.00 0.00 173.24 172.53 2fu5 s HIS 122 N -3.00 0.64 0.00 2.43 3.76 -1.26 -0.62 115.29 117.25 2fu5 s HIS 122 Ca 0.30 -0.16 0.00 0.00 -0.15 0.00 0.00 55.06 55.05 2fu5 s HIS 122 Cb 0.04 -0.59 0.00 0.00 1.11 0.00 0.00 32.58 33.14 2fu5 s HIS 122 CO 0.12 -0.17 0.31 -1.91 -0.85 0.00 0.00 174.74 172.25