#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fqt s LYS 2 N 0.00 0.84 0.03 0.03 1.02 -1.26 -5.12 119.74 115.28 1fqt s LYS 2 Ca 0.00 -1.76 -0.21 0.00 0.02 0.00 0.00 55.97 54.01 1fqt s LYS 2 Cb 0.00 -1.55 -0.06 0.00 -0.52 0.00 0.00 37.83 35.70 1fqt s LYS 2 CO 0.00 -1.27 0.64 -0.06 -0.92 0.00 0.00 175.35 173.74 1fqt s PHE 3 N 0.53 3.73 -0.13 3.18 0.40 -1.26 -4.31 117.98 120.12 1fqt s PHE 3 Ca 0.23 1.30 -0.01 0.00 -0.60 0.00 0.00 56.93 57.85 1fqt s PHE 3 Cb -0.13 -2.64 -0.02 0.00 0.51 0.00 0.00 43.02 40.74 1fqt s PHE 3 CO -0.07 0.39 -0.11 0.99 0.70 0.00 0.00 175.22 177.12 1fqt s THR 4 N -0.40 3.23 -0.12 0.64 2.01 0.22 -4.88 115.64 116.35 1fqt s THR 4 Ca 0.32 -0.60 -0.29 0.00 0.31 0.00 0.00 61.69 61.43 1fqt s THR 4 Cb -0.19 -2.37 -0.02 0.00 0.01 0.00 0.00 72.50 69.93 1fqt s THR 4 CO 0.19 0.52 1.27 -0.60 -0.69 0.00 0.00 174.62 175.31 1fqt s ARG 5 N 0.30 4.27 -0.05 4.92 3.00 -1.26 -0.82 118.95 129.30 1fqt s ARG 5 Ca -0.09 1.70 0.09 0.00 -1.00 0.00 0.00 55.73 56.44 1fqt s ARG 5 Cb -0.15 -3.70 -0.14 0.00 0.00 0.00 0.00 34.95 30.96 1fqt s ARG 5 CO 0.05 -0.63 0.14 1.33 0.00 0.00 0.00 175.30 176.19 1fqt n VAL 6 N 5.12 0.29 -3.97 7.11 0.24 -0.07 -4.97 118.33 122.09 1fqt n VAL 6 Ca 0.13 -0.31 0.01 0.00 -2.04 0.00 0.00 64.34 62.13 1fqt n VAL 6 Cb 0.45 -0.19 0.02 0.00 -1.47 0.00 0.00 33.84 32.64 1fqt n VAL 6 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1fqt s ASP 8 N -3.67 6.56 0.53 0.00 2.15 -1.26 -1.30 116.67 119.68 1fqt s ASP 8 Ca 0.27 0.66 0.22 0.00 0.43 0.00 0.00 52.55 54.13 1fqt s ASP 8 Cb -0.02 -2.13 1.37 0.00 -0.30 0.00 0.00 42.92 41.84 1fqt s ASP 8 CO 0.02 0.23 2.07 0.08 -0.17 0.00 0.00 175.17 177.39 1fqt h ARG 9 N 3.94 0.00 0.00 4.34 0.11 -1.06 -0.08 114.38 121.63 1fqt h ARG 9 Ca -0.50 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.58 1fqt h ARG 9 Cb 1.20 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.28 1fqt h ARG 9 CO 0.66 0.00 0.00 0.54 0.10 0.00 0.00 179.97 181.27 1fqt n ARG 10 N -4.40 0.26 0.00 0.08 1.74 -1.26 -2.73 116.66 110.35 1fqt n ARG 10 Ca 0.04 0.09 0.13 0.00 -0.77 0.00 0.00 57.85 57.34 1fqt n ARG 10 Cb 0.37 -1.50 0.59 0.00 -1.02 0.00 0.00 32.46 30.90 1fqt n ARG 10 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 1fqt n ASP 11 N -1.32 0.00 -3.80 0.55 8.00 -0.04 -4.29 116.55 115.65 1fqt n ASP 11 Ca 0.10 0.47 -0.29 0.00 0.71 0.00 0.00 54.79 55.77 1fqt n ASP 11 Cb 0.19 -0.49 -0.13 0.00 -0.02 0.00 0.00 41.12 40.67 1fqt n ASP 11 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1fqt s VAL 12 N -2.98 1.94 0.75 2.53 1.01 -1.11 -4.90 120.40 117.64 1fqt s VAL 12 Ca 0.14 -3.05 -0.13 0.00 0.00 0.00 0.00 61.98 58.94 1fqt s VAL 12 Cb 0.18 -2.34 0.05 0.00 0.00 0.00 0.00 36.38 34.27 1fqt s VAL 12 CO 0.49 -0.90 1.12 -2.84 0.00 0.00 0.00 175.10 172.98 1fqt s PRO 13 N -0.12 2.25 0.17 2.72 0.02 -1.26 -4.71 135.00 134.07 1fqt s PRO 13 Ca 0.19 1.40 -0.34 0.00 0.02 0.00 0.00 61.00 62.27 1fqt s PRO 13 Cb -0.21 -1.88 -0.14 0.00 0.02 0.00 0.00 34.50 32.29 1fqt s PRO 13 CO -0.03 -1.68 1.47 -1.91 -0.33 0.00 0.00 177.00 174.51 1fqt n GLU 14 N -3.10 1.89 -0.85 5.54 2.13 -1.26 -1.20 120.64 123.78 1fqt n GLU 14 Ca 0.11 0.68 0.00 0.00 0.66 0.00 0.00 57.16 58.60 1fqt n GLU 14 Cb 0.52 -2.38 0.00 0.00 0.27 0.00 0.00 31.44 29.85 1fqt n GLU 14 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1fqt n GLY 15 N 2.84 0.83 3.73 8.31 0.00 -0.03 -5.02 105.19 115.85 1fqt n GLY 15 Ca 0.16 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.91 1fqt n GLY 15 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1fqt s GLU 16 N -0.15 2.16 0.13 1.61 0.41 -0.34 -4.77 118.70 117.75 1fqt s GLU 16 Ca 0.00 -1.98 0.05 0.00 -0.41 0.00 0.00 54.97 52.63 1fqt s GLU 16 Cb 0.00 -1.87 -0.04 0.00 -1.78 0.00 0.00 34.13 30.44 1fqt s GLU 16 CO 0.00 -0.17 -0.12 0.00 -0.49 0.00 0.00 175.26 174.49 1fqt s ALA 17 N -2.67 1.43 -0.05 5.21 0.00 -1.26 -1.76 121.76 122.67 1fqt s ALA 17 Ca 0.35 -1.38 -0.02 0.00 0.00 0.00 0.00 51.96 50.91 1fqt s ALA 17 Cb 0.05 -0.00 0.03 0.00 0.00 0.00 0.00 23.12 23.19 1fqt s ALA 17 CO 0.19 -0.01 0.10 -1.17 0.00 0.00 0.00 175.76 174.87 1fqt s LEU 18 N -2.81 1.01 -0.05 0.00 2.96 0.31 -4.96 118.68 115.13 1fqt s LEU 18 Ca 0.12 0.20 -0.20 0.00 -0.22 0.00 0.00 54.13 54.03 1fqt s LEU 18 Cb -0.01 0.22 -0.05 0.00 0.50 0.00 0.00 46.19 46.85 1fqt s LEU 18 CO 0.02 -0.12 0.57 -0.75 -1.32 0.00 0.00 176.35 174.74 1fqt s LYS 19 N 0.92 4.33 0.05 1.98 2.20 -1.26 -0.75 119.74 127.21 1fqt s LYS 19 Ca -0.07 0.65 0.05 0.00 -0.36 0.00 0.00 55.97 56.24 1fqt s LYS 19 Cb -0.10 -3.39 -0.02 0.00 -1.51 0.00 0.00 37.83 32.81 1fqt s LYS 19 CO -0.04 0.25 -0.15 0.14 -0.36 0.00 0.00 175.35 175.20 1fqt s VAL 20 N 0.24 1.16 0.03 4.02 -7.23 0.14 -4.99 120.40 113.77 1fqt s VAL 20 Ca 0.30 -1.08 -0.03 0.00 -1.81 0.00 0.00 61.98 59.37 1fqt s VAL 20 Cb -0.17 -1.06 -0.02 0.00 0.56 0.00 0.00 36.38 35.69 1fqt s VAL 20 CO 0.15 -0.02 0.03 -1.61 -0.31 0.00 0.00 175.10 173.34 1fqt s GLU 21 N -1.26 0.45 -0.27 4.82 2.02 -1.26 -0.65 118.70 122.55 1fqt s GLU 21 Ca 0.01 -0.69 -0.19 0.00 0.02 0.00 0.00 54.97 54.12 1fqt s GLU 21 Cb -0.08 0.17 0.07 0.00 0.10 0.00 0.00 34.13 34.39 1fqt s GLU 21 CO 0.02 -0.09 0.68 0.45 0.02 0.00 0.00 175.26 176.33 1fqt s SER 22 N -1.81 -0.85 -2.00 -0.19 0.15 -0.63 -4.94 113.70 103.43 1fqt s SER 22 Ca -0.10 1.45 0.00 0.00 0.70 0.00 0.00 55.95 58.00 1fqt s SER 22 Cb -0.05 1.38 0.00 0.00 -1.71 0.00 0.00 66.02 65.64 1fqt s SER 22 CO -0.03 -0.24 0.00 0.61 1.20 0.00 0.00 173.24 174.78 1fqt n GLY 23 N 3.74 0.92 1.61 9.45 0.00 -1.26 -1.18 105.19 118.46 1fqt n GLY 23 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.84 1fqt n GLY 23 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1fqt n GLY 24 N -0.64 0.72 3.52 -0.02 0.00 -1.26 -5.04 105.19 102.47 1fqt n GLY 24 Ca -0.22 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.45 1fqt n GLY 24 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1fqt s THR 25 N -2.46 4.34 -0.17 2.61 2.01 -0.33 -5.09 115.64 116.55 1fqt s THR 25 Ca 0.00 -0.18 -0.06 0.00 0.31 0.00 0.00 61.69 61.76 1fqt s THR 25 Cb 0.00 -2.97 -0.04 0.00 0.01 0.00 0.00 72.50 69.50 1fqt s THR 25 CO 0.00 0.42 0.03 -0.44 -0.69 0.00 0.00 174.62 173.94 1fqt s SER 26 N 0.85 5.36 -0.03 3.53 0.01 -1.26 -1.61 113.70 120.55 1fqt s SER 26 Ca 0.02 0.02 0.05 0.00 1.31 0.00 0.00 55.95 57.36 1fqt s SER 26 Cb -0.14 -1.89 -0.01 0.00 0.21 0.00 0.00 66.02 64.20 1fqt s SER 26 CO 0.02 0.19 -0.17 -0.69 0.41 0.00 0.00 173.24 173.00 1fqt s VAL 27 N 0.28 1.41 -0.18 3.43 1.01 0.17 -1.70 120.40 124.83 1fqt s VAL 27 Ca 0.01 -0.73 -0.09 0.00 0.00 0.00 0.00 61.98 61.17 1fqt s VAL 27 Cb -0.13 -1.20 -0.05 0.00 0.00 0.00 0.00 36.38 35.01 1fqt s VAL 27 CO 0.01 0.40 0.13 0.00 0.00 0.00 0.00 175.10 175.64 1fqt s ALA 28 N -0.17 3.71 -0.16 5.51 0.00 0.43 -0.68 121.76 130.40 1fqt s ALA 28 Ca 0.01 -0.68 -0.02 0.00 0.00 0.00 0.00 51.96 51.27 1fqt s ALA 28 Cb -0.09 -2.11 -0.02 0.00 0.00 0.00 0.00 23.12 20.91 1fqt s ALA 28 CO 0.01 0.26 -0.09 0.42 0.00 0.00 0.00 175.76 176.36 1fqt s ILE 29 N 0.05 3.30 -0.04 0.00 1.01 0.07 -1.25 121.20 124.34 1fqt s ILE 29 Ca 0.09 -0.56 0.05 0.00 0.00 0.00 0.00 60.65 60.24 1fqt s ILE 29 Cb -0.11 -2.43 -0.02 0.00 0.01 0.00 0.00 42.46 39.90 1fqt s ILE 29 CO -0.01 0.49 -0.19 -0.36 0.00 0.00 0.00 174.94 174.88 1fqt s PHE 30 N 0.67 2.57 -0.38 3.97 0.40 0.18 -0.53 117.98 124.85 1fqt s PHE 30 Ca -0.05 -0.30 -0.12 0.00 -0.60 0.00 0.00 56.93 55.87 1fqt s PHE 30 Cb -0.15 -1.59 0.03 0.00 0.51 0.00 0.00 43.02 41.82 1fqt s PHE 30 CO 0.02 0.07 0.23 1.21 0.70 0.00 0.00 175.22 177.45 1fqt s ASN 31 N -0.62 5.80 -0.35 1.36 3.84 -0.72 -1.03 114.94 123.22 1fqt s ASN 31 Ca 0.09 -1.01 -0.06 0.00 0.21 0.00 0.00 52.86 52.09 1fqt s ASN 31 Cb -0.11 -2.05 0.05 0.00 -0.55 0.00 0.00 41.25 38.59 1fqt s ASN 31 CO 0.00 -0.41 0.12 -0.69 -2.79 0.00 0.00 177.10 173.33 1fqt s VAL 32 N 1.57 3.77 -1.54 -5.21 1.01 -0.02 -0.85 120.40 119.13 1fqt s VAL 32 Ca 0.02 -1.20 -0.14 0.00 0.00 0.00 0.00 61.98 60.66 1fqt s VAL 32 Cb -0.19 -3.17 0.10 0.00 0.00 0.00 0.00 36.38 33.12 1fqt s VAL 32 CO 0.07 -0.22 0.86 -0.67 0.00 0.00 0.00 175.10 175.14 1fqt n ASP 33 N 4.80 -4.41 0.00 3.32 2.03 -1.26 -1.97 116.55 119.06 1fqt n ASP 33 Ca -0.12 -0.76 0.00 0.00 0.52 0.00 0.00 54.79 54.44 1fqt n ASP 33 Cb 0.44 -3.55 0.00 0.00 -0.72 0.00 0.00 41.12 37.29 1fqt n ASP 33 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1fqt n GLY 34 N -1.54 0.79 3.48 0.27 0.00 -1.26 -5.05 105.19 101.87 1fqt n GLY 34 Ca 0.04 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.75 1fqt n GLY 34 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1fqt s GLU 35 N -0.72 2.13 -0.07 1.61 2.02 -0.83 -5.11 118.70 117.73 1fqt s GLU 35 Ca 0.00 -0.95 -0.05 0.00 0.02 0.00 0.00 54.97 53.99 1fqt s GLU 35 Cb 0.00 -2.24 -0.04 0.00 0.10 0.00 0.00 34.13 31.95 1fqt s GLU 35 CO 0.00 0.54 0.16 -0.51 0.02 0.00 0.00 175.26 175.47 1fqt s LEU 36 N -1.50 4.38 -0.01 1.80 1.43 -1.26 -0.84 118.68 122.67 1fqt s LEU 36 Ca 0.15 0.41 0.03 0.00 -1.03 0.00 0.00 54.13 53.69 1fqt s LEU 36 Cb -0.11 -2.30 -0.00 0.00 0.03 0.00 0.00 46.19 43.81 1fqt s LEU 36 CO 0.06 0.35 -0.08 -0.36 0.23 0.00 0.00 176.35 176.54 1fqt s PHE 37 N -1.16 0.81 -0.06 0.29 0.40 -0.20 -4.97 117.98 113.09 1fqt s PHE 37 Ca 0.20 -0.17 0.05 0.00 -0.60 0.00 0.00 56.93 56.41 1fqt s PHE 37 Cb -0.12 -0.55 -0.02 0.00 0.51 0.00 0.00 43.02 42.85 1fqt s PHE 37 CO 0.10 -0.04 -0.21 0.00 0.70 0.00 0.00 175.22 175.77 1fqt s ALA 38 N -0.05 2.36 0.19 5.36 0.00 -1.26 -0.65 121.76 127.71 1fqt s ALA 38 Ca 0.01 -1.01 -0.00 0.00 0.00 0.00 0.00 51.96 50.95 1fqt s ALA 38 Cb -0.05 -0.81 -0.04 0.00 0.00 0.00 0.00 23.12 22.21 1fqt s ALA 38 CO -0.00 0.44 0.10 0.95 0.00 0.00 0.00 175.76 177.24 1fqt s THR 39 N -0.27 0.18 0.55 0.00 -4.23 -0.38 -1.95 115.64 109.53 1fqt s THR 39 Ca 0.00 -1.98 -0.22 0.00 -1.18 0.00 0.00 61.69 58.32 1fqt s THR 39 Cb -0.13 -2.39 -0.05 0.00 1.34 0.00 0.00 72.50 71.28 1fqt s THR 39 CO 0.03 -0.15 1.37 0.00 -0.54 0.00 0.00 174.62 175.33 1fqt n GLN 40 N -0.26 1.70 0.09 3.99 10.64 -0.12 -0.43 117.38 132.99 1fqt n GLN 40 Ca -0.01 0.63 -0.07 0.00 -1.83 0.00 0.00 57.00 55.72 1fqt n GLN 40 Cb 0.65 -2.59 0.04 0.00 -0.86 0.00 0.00 30.24 27.48 1fqt n GLN 40 CO 0.00 0.00 0.00 0.22 -1.83 0.00 0.00 177.06 175.45 1fqt h ASP 41 N 1.42 0.22 -3.56 2.61 3.58 -1.61 -3.38 116.42 115.71 1fqt h ASP 41 Ca -0.51 -0.16 -0.52 0.00 0.42 0.00 0.00 57.03 56.25 1fqt h ASP 41 Cb 1.30 -0.07 -0.03 0.00 1.72 0.00 0.00 39.33 42.26 1fqt h ASP 41 CO 0.57 0.92 0.18 -0.13 -2.88 0.00 0.00 179.24 177.89 1fqt s ARG 42 N -3.38 4.50 0.58 0.28 0.52 -1.26 -0.28 118.95 119.91 1fqt s ARG 42 Ca -0.03 1.11 -0.20 0.00 -0.52 0.00 0.00 55.73 56.09 1fqt s ARG 42 Cb 0.11 -3.15 -0.04 0.00 0.52 0.00 0.00 34.95 32.39 1fqt s ARG 42 CO 0.81 0.52 1.24 0.00 0.02 0.00 0.00 175.30 177.89 1fqt n THR 44 N -1.40 0.26 0.99 0.00 -2.24 -1.26 -2.99 114.28 107.64 1fqt n THR 44 Ca 0.13 0.07 0.12 0.00 -2.27 0.00 0.00 64.05 62.09 1fqt n THR 44 Cb 0.46 -0.64 0.20 0.00 -2.10 0.00 0.00 70.33 68.24 1fqt n THR 44 CO 0.00 0.00 0.00 1.57 -0.57 0.00 0.00 175.07 176.07 1fqt n HIS 45 N -1.44 0.08 0.00 4.78 -0.00 -1.26 -4.93 115.22 112.45 1fqt n HIS 45 Ca 0.08 -0.04 0.00 0.00 -0.00 0.00 0.00 57.72 57.76 1fqt n HIS 45 Cb 0.27 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.26 1fqt n HIS 45 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1fqt n GLY 46 N 1.34 0.93 3.58 1.57 0.00 -1.16 -5.03 105.19 106.42 1fqt n GLY 46 Ca 0.16 -0.78 -0.42 0.00 0.00 0.00 0.00 46.02 44.97 1fqt n GLY 46 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1fqt s ASP 47 N 0.00 6.72 -0.08 1.61 -1.08 -1.26 -3.71 116.67 118.87 1fqt s ASP 47 Ca 0.00 -2.38 -0.03 0.00 -0.52 0.00 0.00 52.55 49.62 1fqt s ASP 47 Cb 0.00 -2.58 0.04 0.00 -1.46 0.00 0.00 42.92 38.92 1fqt s ASP 47 CO 0.00 -1.30 0.16 0.86 0.52 0.00 0.00 175.17 175.42 1fqt s TRP 48 N 4.67 -0.19 0.01 -5.34 -0.11 -1.26 -5.02 118.94 111.69 1fqt s TRP 48 Ca 0.55 0.56 -0.30 0.00 1.22 0.00 0.00 56.10 58.13 1fqt s TRP 48 Cb 0.04 -0.11 -0.05 0.00 -1.50 0.00 0.00 33.47 31.85 1fqt s TRP 48 CO 0.08 -0.21 1.28 0.45 -4.62 0.00 0.00 176.95 173.93 1fqt s SER 49 N 1.50 6.98 0.29 5.86 0.15 -1.26 -1.24 113.70 125.98 1fqt s SER 49 Ca -0.06 2.00 0.15 0.00 0.70 0.00 0.00 55.95 58.74 1fqt s SER 49 Cb -0.12 -2.57 0.22 0.00 -1.71 0.00 0.00 66.02 61.85 1fqt s SER 49 CO -0.06 -0.60 1.51 -0.07 1.20 0.00 0.00 173.24 175.22 1fqt h LEU 50 N 7.77 0.00 0.15 3.45 3.38 -0.85 0.52 115.31 129.74 1fqt h LEU 50 Ca -0.38 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 57.37 1fqt h LEU 50 Cb 1.18 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.95 1fqt h LEU 50 CO 0.87 0.53 -1.04 0.77 0.09 0.00 0.00 178.44 179.66 1fqt h SER 51 N 0.00 0.49 0.07 -0.43 4.64 -1.91 -2.20 113.55 114.21 1fqt h SER 51 Ca -0.01 -0.92 -0.00 0.00 -0.47 0.00 0.00 61.79 60.39 1fqt h SER 51 Cb 1.28 -0.16 0.00 0.00 -0.31 0.00 0.00 62.40 63.21 1fqt h SER 51 CO 0.07 1.49 -0.04 0.44 -0.87 0.00 0.00 176.83 177.92 1fqt h ASP 52 N -0.30 -0.08 -2.25 4.97 3.45 -1.94 -3.38 116.42 116.89 1fqt h ASP 52 Ca -0.20 -0.42 -0.77 0.00 0.43 0.00 0.00 57.03 56.08 1fqt h ASP 52 Cb 1.73 0.02 -0.30 0.00 -0.56 0.00 0.00 39.33 40.23 1fqt h ASP 52 CO 0.14 0.58 0.74 0.61 -1.57 0.00 0.00 179.24 179.74 1fqt n GLY 53 N 1.26 6.04 3.09 2.75 0.00 0.18 -4.97 105.19 113.55 1fqt n GLY 53 Ca -0.06 -2.62 -0.10 0.00 0.00 0.00 0.00 46.02 43.24 1fqt n GLY 53 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1fqt s GLY 54 N -1.72 0.10 -0.28 -0.02 0.00 -0.83 -1.25 107.32 103.32 1fqt s GLY 54 Ca 0.41 -0.31 -0.03 0.00 0.00 0.00 0.00 44.72 44.79 1fqt s GLY 54 CO -0.14 -0.44 0.00 -0.19 0.00 0.00 0.00 173.10 172.34 1fqt s TYR 55 N -1.74 3.15 -0.23 1.90 1.51 0.76 -4.86 117.35 117.84 1fqt s TYR 55 Ca -0.12 -1.50 -0.15 0.00 -1.01 0.00 0.00 57.07 54.28 1fqt s TYR 55 Cb -0.06 -2.13 -0.04 0.00 -0.11 0.00 0.00 41.96 39.62 1fqt s TYR 55 CO -0.00 -0.72 0.39 -1.17 -1.11 0.00 0.00 175.55 172.94 1fqt s LEU 56 N 1.35 4.10 -0.26 -1.29 2.96 -1.26 -0.43 118.68 123.85 1fqt s LEU 56 Ca -0.01 0.41 0.00 0.00 -0.22 0.00 0.00 54.13 54.32 1fqt s LEU 56 Cb -0.18 -2.48 0.08 0.00 0.50 0.00 0.00 46.19 44.11 1fqt s LEU 56 CO -0.01 -0.13 0.02 -0.70 -1.32 0.00 0.00 176.35 174.20 1fqt s GLU 57 N 1.69 1.18 7.71 1.98 2.56 -0.27 -4.99 118.70 128.56 1fqt s GLU 57 Ca 0.17 -1.02 0.00 0.00 0.00 0.00 0.00 54.97 54.12 1fqt s GLU 57 Cb -0.15 -2.41 0.00 0.00 2.00 0.00 0.00 34.13 33.57 1fqt s GLU 57 CO 0.09 -0.76 0.00 0.41 -0.56 0.00 0.00 175.26 174.44 1fqt n GLY 58 N 4.74 3.18 1.27 -1.50 0.00 -1.26 -1.67 105.19 109.95 1fqt n GLY 58 Ca -0.07 -0.16 0.08 0.00 0.00 0.00 0.00 46.02 45.87 1fqt n GLY 58 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1fqt n ASP 59 N 7.60 4.50 -4.30 1.61 5.68 -1.26 -4.84 116.55 125.54 1fqt n ASP 59 Ca 0.00 -2.85 -0.34 0.00 -0.50 0.00 0.00 54.79 51.10 1fqt n ASP 59 Cb 0.00 -0.57 -0.14 0.00 -1.14 0.00 0.00 41.12 39.27 1fqt n ASP 59 CO 0.00 0.00 0.00 -0.69 -1.33 0.00 0.00 177.20 175.18 1fqt s VAL 60 N -2.56 3.09 -0.12 2.12 1.01 -0.67 -0.66 120.40 122.62 1fqt s VAL 60 Ca 0.46 -0.60 -0.07 0.00 0.00 0.00 0.00 61.98 61.77 1fqt s VAL 60 Cb 0.35 -2.36 -0.04 0.00 0.00 0.00 0.00 36.38 34.32 1fqt s VAL 60 CO 0.13 0.47 0.12 0.54 0.00 0.00 0.00 175.10 176.37 1fqt s VAL 61 N 1.12 5.38 -0.16 2.92 0.11 -0.05 -1.12 120.40 128.59 1fqt s VAL 61 Ca 0.01 0.16 -0.03 0.00 -2.93 0.00 0.00 61.98 59.19 1fqt s VAL 61 Cb -0.14 -3.34 -0.02 0.00 -1.53 0.00 0.00 36.38 31.34 1fqt s VAL 61 CO -0.02 0.61 -0.06 -0.70 -3.33 0.00 0.00 175.10 171.59 1fqt s GLU 62 N -0.93 3.55 -0.02 1.54 2.12 0.43 -1.33 118.70 124.05 1fqt s GLU 62 Ca 0.14 -0.58 -0.30 0.00 0.36 0.00 0.00 54.97 54.59 1fqt s GLU 62 Cb -0.12 -2.85 -0.04 0.00 0.26 0.00 0.00 34.13 31.38 1fqt s GLU 62 CO 0.03 0.17 1.30 0.00 -0.54 0.00 0.00 175.26 176.22 1fqt n SER 64 N 5.19 0.00 -0.06 0.00 3.41 -0.38 -0.92 113.62 120.86 1fqt n SER 64 Ca 0.12 -0.37 -0.06 0.00 -0.26 0.00 0.00 58.87 58.30 1fqt n SER 64 Cb 0.45 -0.19 -0.04 0.00 -0.26 0.00 0.00 64.21 64.16 1fqt n SER 64 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 1fqt h LEU 65 N 0.00 0.00 -2.70 1.04 5.85 -1.91 -3.42 115.31 114.17 1fqt h LEU 65 Ca 0.00 -0.29 0.00 0.00 0.84 0.00 0.00 57.88 58.43 1fqt h LEU 65 Cb 0.17 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.20 1fqt h LEU 65 CO 0.00 0.74 -0.07 1.41 -0.34 0.00 0.00 178.44 180.17 1fqt n HIS 66 N -4.69 0.00 -1.25 1.25 8.25 -1.25 -5.02 115.22 112.52 1fqt n HIS 66 Ca -0.06 -0.64 -0.08 0.00 -0.26 0.00 0.00 57.72 56.67 1fqt n HIS 66 Cb 0.21 -0.10 -0.04 0.00 1.12 0.00 0.00 29.99 31.19 1fqt n HIS 66 CO 0.00 0.00 0.00 -1.33 0.64 0.00 0.00 176.34 175.65 1fqt n MET 67 N -0.87 -0.82 -1.20 -0.41 2.81 -0.10 -4.50 117.12 112.03 1fqt n MET 67 Ca 0.08 0.74 -0.32 0.00 -1.81 0.00 0.00 57.70 56.40 1fqt n MET 67 Cb 0.53 -4.66 0.11 0.00 -0.71 0.00 0.00 33.22 28.48 1fqt n MET 67 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 1fqt s GLY 68 N -2.68 1.83 0.03 3.03 0.00 -1.25 -4.69 107.32 103.60 1fqt s GLY 68 Ca 0.00 0.47 0.02 0.00 0.00 0.00 0.00 44.72 45.21 1fqt s GLY 68 CO 0.00 0.84 -0.08 0.54 0.00 0.00 0.00 173.10 174.40 1fqt s LYS 69 N -4.59 0.55 0.03 2.90 1.02 -0.86 -0.36 119.74 118.42 1fqt s LYS 69 Ca 0.65 -0.65 0.01 0.00 0.02 0.00 0.00 55.97 56.00 1fqt s LYS 69 Cb -0.21 -0.39 -0.02 0.00 -0.52 0.00 0.00 37.83 36.70 1fqt s LYS 69 CO 0.53 0.08 -0.05 -0.06 -0.92 0.00 0.00 175.35 174.93 1fqt s PHE 70 N -1.09 0.47 -0.13 3.18 0.40 -0.45 -0.01 117.98 120.36 1fqt s PHE 70 Ca -0.06 -0.48 -0.28 0.00 -0.60 0.00 0.00 56.93 55.50 1fqt s PHE 70 Cb -0.08 -0.30 -0.01 0.00 0.51 0.00 0.00 43.02 43.14 1fqt s PHE 70 CO 0.00 -0.12 0.97 0.00 0.70 0.00 0.00 175.22 176.77 1fqt h VAL 72 N 5.16 0.00 0.01 0.00 -1.51 -1.22 0.54 116.25 119.22 1fqt h VAL 72 Ca -0.29 -0.55 -0.20 0.00 -1.23 0.00 0.00 66.70 64.43 1fqt h VAL 72 Cb 1.13 1.48 -0.01 0.00 -2.13 0.00 0.00 31.29 31.76 1fqt h VAL 72 CO 0.87 0.00 -0.89 0.03 -1.23 0.00 0.00 177.57 176.34 1fqt h ARG 73 N 0.00 0.18 0.00 5.19 3.08 -1.92 -3.38 114.38 117.53 1fqt h ARG 73 Ca 0.00 -0.21 0.00 0.00 0.07 0.00 0.00 59.98 59.84 1fqt h ARG 73 Cb 0.65 0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.76 1fqt h ARG 73 CO 0.00 0.96 -0.45 0.25 -1.07 0.00 0.00 179.97 179.66 1fqt n THR 74 N -3.64 0.00 -0.82 2.04 -2.24 -1.18 -5.00 114.28 103.45 1fqt n THR 74 Ca -0.03 -0.30 0.00 0.00 -2.27 0.00 0.00 64.05 61.45 1fqt n THR 74 Cb 0.82 0.79 0.00 0.00 -2.10 0.00 0.00 70.33 69.84 1fqt n THR 74 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1fqt n GLY 75 N 1.57 1.31 3.78 3.38 0.00 0.19 -4.29 105.19 111.14 1fqt n GLY 75 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 1fqt n GLY 75 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1fqt s LYS 76 N -0.02 3.69 0.12 1.61 1.02 -1.22 -0.34 119.74 124.61 1fqt s LYS 76 Ca 0.00 1.54 -0.31 0.00 0.02 0.00 0.00 55.97 57.22 1fqt s LYS 76 Cb 0.00 -2.18 -0.08 0.00 -0.52 0.00 0.00 37.83 35.05 1fqt s LYS 76 CO 0.00 -0.55 1.35 0.08 -0.92 0.00 0.00 175.35 175.30 1fqt s VAL 77 N -1.78 3.39 -0.03 3.17 1.01 -1.26 -0.36 120.40 124.54 1fqt s VAL 77 Ca 0.67 1.02 0.13 0.00 0.00 0.00 0.00 61.98 63.80 1fqt s VAL 77 Cb -0.22 -3.65 -0.20 0.00 0.00 0.00 0.00 36.38 32.31 1fqt s VAL 77 CO 0.26 0.09 0.27 0.29 0.00 0.00 0.00 175.10 176.01 1fqt n LYS 78 N 3.73 0.53 -3.66 2.72 4.76 0.99 -4.86 118.16 122.36 1fqt n LYS 78 Ca 0.10 -0.11 -0.14 0.00 -2.87 0.00 0.00 58.31 55.29 1fqt n LYS 78 Cb 0.43 -1.32 -0.08 0.00 -1.84 0.00 0.00 35.03 32.22 1fqt n LYS 78 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1fqt s SER 79 N -3.61 -0.58 1.06 4.39 0.15 -1.04 -4.88 113.70 109.18 1fqt s SER 79 Ca -0.05 1.04 -0.16 0.00 0.70 0.00 0.00 55.95 57.48 1fqt s SER 79 Cb 0.08 1.05 0.22 0.00 -1.71 0.00 0.00 66.02 65.66 1fqt s SER 79 CO 0.55 -0.27 1.16 -2.84 1.20 0.00 0.00 173.24 173.05 1fqt s PRO 80 N 0.02 -0.06 0.44 5.44 0.02 -1.26 -2.03 135.00 137.58 1fqt s PRO 80 Ca -0.02 -0.00 0.17 0.00 0.02 0.00 0.00 61.00 61.16 1fqt s PRO 80 Cb -0.04 -1.73 1.09 0.00 0.02 0.00 0.00 34.50 33.85 1fqt s PRO 80 CO 0.02 -2.95 1.95 -1.35 -0.33 0.00 0.00 177.00 174.34 1fqt h PRO 81 N -2.03 0.35 -6.84 5.54 0.11 -1.86 -3.35 132.00 123.91 1fqt h PRO 81 Ca -0.47 -0.02 -0.57 0.00 0.11 0.00 0.00 66.00 65.05 1fqt h PRO 81 Cb 1.29 -0.08 0.15 0.00 0.11 0.00 0.00 31.00 32.47 1fqt h PRO 81 CO 0.44 0.23 0.30 -2.30 -0.21 0.00 0.00 178.00 176.46 1fqt n PRO 82 N -4.46 1.32 0.00 1.05 -0.02 -1.26 -4.91 135.00 126.73 1fqt n PRO 82 Ca 0.13 0.49 0.00 0.00 -2.02 0.00 0.00 63.50 62.09 1fqt n PRO 82 Cb 0.50 -2.27 0.00 0.00 -0.02 0.00 0.00 33.50 31.71 1fqt n PRO 82 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1fqt s GLU 84 N -0.32 2.83 0.57 0.00 2.02 -1.26 -4.99 118.70 117.55 1fqt s GLU 84 Ca 0.00 -0.75 -0.18 0.00 0.02 0.00 0.00 54.97 54.06 1fqt s GLU 84 Cb 0.00 -2.41 -0.04 0.00 0.10 0.00 0.00 34.13 31.78 1fqt s GLU 84 CO 0.00 0.41 1.13 0.00 0.02 0.00 0.00 175.26 176.82 1fqt s ALA 85 N -0.20 2.63 0.45 5.21 0.00 -1.26 -4.72 121.76 123.88 1fqt s ALA 85 Ca -0.01 0.77 -0.22 0.00 0.00 0.00 0.00 51.96 52.50 1fqt s ALA 85 Cb -0.13 -3.36 -0.09 0.00 0.00 0.00 0.00 23.12 19.55 1fqt s ALA 85 CO 0.03 -0.91 1.05 -0.51 0.00 0.00 0.00 175.76 175.42 1fqt s LEU 86 N -4.07 3.96 0.42 0.00 1.43 0.54 -4.97 118.68 115.99 1fqt s LEU 86 Ca 0.72 1.99 -0.23 0.00 -1.03 0.00 0.00 54.13 55.58 1fqt s LEU 86 Cb -0.23 -4.41 -0.09 0.00 0.03 0.00 0.00 46.19 41.49 1fqt s LEU 86 CO 0.31 -0.69 1.07 -0.54 0.23 0.00 0.00 176.35 176.73 1fqt s LYS 87 N -2.94 4.03 0.22 1.70 1.02 -1.26 -4.56 119.74 117.96 1fqt s LYS 87 Ca 0.64 1.53 0.09 0.00 0.02 0.00 0.00 55.97 58.25 1fqt s LYS 87 Cb -0.19 -2.44 -0.04 0.00 -0.52 0.00 0.00 37.83 34.64 1fqt s LYS 87 CO 0.23 -0.26 -0.04 0.96 -0.92 0.00 0.00 175.35 175.32 1fqt s ILE 88 N -1.70 3.39 0.04 2.17 -4.36 0.53 -0.95 121.20 120.33 1fqt s ILE 88 Ca 0.60 -1.75 0.07 0.00 -0.26 0.00 0.00 60.65 59.31 1fqt s ILE 88 Cb -0.22 -2.75 -0.02 0.00 1.25 0.00 0.00 42.46 40.72 1fqt s ILE 88 CO 0.27 -0.24 -0.19 -0.36 0.24 0.00 0.00 174.94 174.66 1fqt s PHE 89 N -2.01 1.70 0.21 1.37 0.40 -0.83 -1.12 117.98 117.71 1fqt s PHE 89 Ca 0.28 -0.37 -0.31 0.00 -0.60 0.00 0.00 56.93 55.94 1fqt s PHE 89 Cb -0.08 -1.02 -0.11 0.00 0.51 0.00 0.00 43.02 42.32 1fqt s PHE 89 CO 0.18 0.07 1.61 -2.14 0.70 0.00 0.00 175.22 175.64 1fqt s PRO 90 N -1.11 4.17 -0.02 0.24 0.02 -1.26 -4.41 135.00 132.63 1fqt s PRO 90 Ca 0.06 2.48 0.01 0.00 0.02 0.00 0.00 61.00 63.57 1fqt s PRO 90 Cb -0.08 -3.10 0.02 0.00 0.02 0.00 0.00 34.50 31.35 1fqt s PRO 90 CO 0.01 -0.64 -0.01 -1.50 -0.33 0.00 0.00 177.00 174.53 1fqt s ILE 91 N 0.81 0.22 0.10 2.83 2.07 -1.26 -2.33 121.20 123.64 1fqt s ILE 91 Ca 0.69 -0.00 0.05 0.00 -1.41 0.00 0.00 60.65 59.98 1fqt s ILE 91 Cb -0.46 -0.27 -0.04 0.00 0.13 0.00 0.00 42.46 41.82 1fqt s ILE 91 CO 0.36 0.12 -0.12 -0.13 -1.91 0.00 0.00 174.94 173.26 1fqt s ARG 92 N 0.64 0.91 -0.13 3.50 1.81 -0.32 -4.99 118.95 120.37 1fqt s ARG 92 Ca -0.07 -1.16 0.02 0.00 -1.72 0.00 0.00 55.73 52.81 1fqt s ARG 92 Cb -0.10 -0.71 -0.00 0.00 -0.45 0.00 0.00 34.95 33.70 1fqt s ARG 92 CO -0.01 0.13 -0.19 0.42 -0.68 0.00 0.00 175.30 174.96 1fqt s ILE 93 N -2.17 2.38 -0.25 1.52 1.01 -1.26 -0.80 121.20 121.64 1fqt s ILE 93 Ca 0.06 -0.88 -0.02 0.00 0.00 0.00 0.00 60.65 59.80 1fqt s ILE 93 Cb -0.05 -1.96 0.08 0.00 0.01 0.00 0.00 42.46 40.54 1fqt s ILE 93 CO 0.01 0.54 0.06 -1.61 0.00 0.00 0.00 174.94 173.94 1fqt s GLU 94 N 0.58 0.71 7.86 2.79 2.02 0.01 -4.99 118.70 127.68 1fqt s GLU 94 Ca -0.11 -0.72 0.00 0.00 0.02 0.00 0.00 54.97 54.16 1fqt s GLU 94 Cb -0.16 -2.03 0.00 0.00 0.10 0.00 0.00 34.13 32.04 1fqt s GLU 94 CO 0.03 -0.80 0.00 -0.25 0.02 0.00 0.00 175.26 174.27 1fqt n ASP 95 N 4.96 0.00 -0.86 -0.19 10.43 -1.26 -1.43 116.55 128.20 1fqt n ASP 95 Ca -0.06 0.00 0.11 0.00 2.57 0.00 0.00 54.79 57.40 1fqt n ASP 95 Cb 0.45 0.00 0.09 0.00 1.84 0.00 0.00 41.12 43.50 1fqt n ASP 95 CO 0.00 0.00 0.00 0.59 -1.07 0.00 0.00 177.20 176.72 1fqt n ASN 96 N 8.56 2.80 -4.77 -2.24 5.03 -1.26 -4.95 115.26 118.43 1fqt n ASN 96 Ca 0.00 -1.89 -0.39 0.00 0.87 0.00 0.00 54.58 53.17 1fqt n ASN 96 Cb 0.00 -0.01 -0.06 0.00 -1.02 0.00 0.00 39.78 38.69 1fqt n ASN 96 CO 0.00 0.00 0.00 -1.81 -1.83 0.00 0.00 177.26 173.62 1fqt s ASP 97 N -1.74 7.02 -0.17 6.41 1.01 -0.52 -0.43 116.67 128.24 1fqt s ASP 97 Ca 0.25 1.21 -0.06 0.00 0.71 0.00 0.00 52.55 54.67 1fqt s ASP 97 Cb 0.18 -2.38 -0.03 0.00 1.01 0.00 0.00 42.92 41.70 1fqt s ASP 97 CO 0.27 0.12 0.02 -0.69 0.21 0.00 0.00 175.17 175.10 1fqt s VAL 98 N -0.34 4.36 0.03 -1.27 1.01 -0.42 -0.81 120.40 122.96 1fqt s VAL 98 Ca 0.31 -0.19 0.07 0.00 0.00 0.00 0.00 61.98 62.18 1fqt s VAL 98 Cb -0.19 -2.95 -0.02 0.00 0.00 0.00 0.00 36.38 33.22 1fqt s VAL 98 CO 0.18 0.47 -0.22 -0.76 0.00 0.00 0.00 175.10 174.77 1fqt s LEU 99 N 0.41 2.13 -0.01 3.92 1.02 0.02 -0.89 118.68 125.29 1fqt s LEU 99 Ca -0.00 -0.50 0.04 0.00 0.02 0.00 0.00 54.13 53.69 1fqt s LEU 99 Cb -0.13 -1.07 -0.01 0.00 0.02 0.00 0.00 46.19 45.00 1fqt s LEU 99 CO 0.02 0.21 -0.12 -0.69 0.02 0.00 0.00 176.35 175.78 1fqt s VAL 100 N -0.72 0.99 -0.65 -1.59 1.01 -0.00 -1.18 120.40 118.26 1fqt s VAL 100 Ca 0.08 -0.53 -0.17 0.00 0.00 0.00 0.00 61.98 61.37 1fqt s VAL 100 Cb -0.09 -0.83 0.14 0.00 0.00 0.00 0.00 36.38 35.60 1fqt s VAL 100 CO 0.01 0.28 0.68 -0.62 0.00 0.00 0.00 175.10 175.46 1fqt s ASP 101 N -0.24 6.34 0.32 3.32 -1.08 -0.98 -0.61 116.67 123.73 1fqt s ASP 101 Ca 0.04 -1.85 0.24 0.00 -0.52 0.00 0.00 52.55 50.46 1fqt s ASP 101 Cb -0.05 -2.26 1.15 0.00 -1.46 0.00 0.00 42.92 40.29 1fqt s ASP 101 CO -0.00 -0.92 1.73 -0.26 0.52 0.00 0.00 175.17 176.24 1fqt h PHE 102 N 8.78 0.00 -0.19 -5.34 -1.00 -1.90 -2.59 116.94 114.71 1fqt h PHE 102 Ca -0.18 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.60 1fqt h PHE 102 Cb 1.08 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.64 1fqt h PHE 102 CO 0.87 0.00 0.00 0.39 -1.61 0.00 0.00 178.31 177.96 1fqt n GLU 103 N -2.33 2.28 -0.48 1.51 -0.58 -1.26 -4.42 120.64 115.35 1fqt n GLU 103 Ca 0.00 -1.89 0.05 0.00 -0.42 0.00 0.00 57.16 54.90 1fqt n GLU 103 Cb 0.14 -1.48 0.21 0.00 -0.57 0.00 0.00 31.44 29.74 1fqt n GLU 103 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1fqt n ALA 104 N 1.18 3.30 -1.74 0.62 0.00 -0.97 -5.04 120.51 117.85 1fqt n ALA 104 Ca 0.17 -2.77 -0.41 0.00 0.00 0.00 0.00 53.44 50.43 1fqt n ALA 104 Cb 0.55 -0.59 0.00 0.00 0.00 0.00 0.00 19.45 19.41 1fqt n ALA 104 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1fqt n GLY 105 N -1.00 0.91 3.40 0.00 0.00 -1.26 -4.57 105.19 102.67 1fqt n GLY 105 Ca 0.23 0.26 -0.10 0.00 0.00 0.00 0.00 46.02 46.42 1fqt n GLY 105 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1fqt s TYR 106 N -1.14 0.01 -0.02 1.61 -0.85 -0.27 -4.92 117.35 111.76 1fqt s TYR 106 Ca 0.57 -0.36 -0.15 0.00 -0.52 0.00 0.00 57.07 56.61 1fqt s TYR 106 Cb -0.49 0.22 -0.05 0.00 0.38 0.00 0.00 41.96 42.01 1fqt s TYR 106 CO 0.61 -0.79 0.40 -0.51 -1.52 0.00 0.00 175.55 173.74 1fqt s LEU 107 N -2.88 4.45 0.62 -3.49 1.43 -1.26 -0.34 118.68 117.20 1fqt s LEU 107 Ca 0.09 0.91 -0.18 0.00 -1.03 0.00 0.00 54.13 53.92 1fqt s LEU 107 Cb 0.01 -2.56 -0.02 0.00 0.03 0.00 0.00 46.19 43.64 1fqt s LEU 107 CO -0.05 0.29 1.24 0.00 0.23 0.00 0.00 176.35 178.07 1fqt s ALA 108 N -0.87 2.47 -1.31 4.21 0.00 -1.26 -4.99 121.76 120.01 1fqt s ALA 108 Ca 0.23 1.09 0.00 0.00 0.00 0.00 0.00 51.96 53.28 1fqt s ALA 108 Cb -0.16 -3.49 0.00 0.00 0.00 0.00 0.00 23.12 19.47 1fqt s ALA 108 CO 0.12 -1.35 0.33 -2.30 0.00 0.00 0.00 175.76 172.56