#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 1.99 0.16 0.03 -0.14 -1.26 -5.08 119.74 115.43 1fqt s LYS 2 Ca 0.00 -2.04 -0.26 0.00 -1.36 0.00 0.00 55.97 52.32 1fqt s LYS 2 Cb 0.00 -3.51 -0.08 0.00 -1.68 0.00 0.00 37.83 32.57 1fqt s LYS 2 CO 0.00 -1.07 0.79 -0.06 -0.76 0.00 0.00 175.35 174.25 1fqt s PHE 3 N 0.74 3.90 0.01 3.18 0.40 -1.26 -4.39 117.98 120.56 1fqt s PHE 3 Ca 0.11 1.64 0.06 0.00 -0.60 0.00 0.00 56.93 58.14 1fqt s PHE 3 Cb -0.22 -2.79 -0.02 0.00 0.51 0.00 0.00 43.02 40.51 1fqt s PHE 3 CO -0.04 0.49 -0.18 -0.08 0.70 0.00 0.00 175.22 176.10 1fqt s THR 4 N -1.05 1.44 -0.00 0.64 -1.32 -0.05 -4.89 115.64 110.41 1fqt s THR 4 Ca 0.36 -0.90 -0.30 0.00 -1.21 0.00 0.00 61.69 59.64 1fqt s THR 4 Cb -0.23 -1.22 -0.06 0.00 -1.51 0.00 0.00 72.50 69.48 1fqt s THR 4 CO 0.26 0.30 1.45 -0.60 -2.21 0.00 0.00 174.62 173.83 1fqt s ARG 5 N -0.70 4.26 -0.01 7.08 3.52 -1.26 -1.53 118.95 130.30 1fqt s ARG 5 Ca 0.06 2.02 0.08 0.00 -0.13 0.00 0.00 55.73 57.77 1fqt s ARG 5 Cb -0.07 -3.61 -0.13 0.00 -1.56 0.00 0.00 34.95 29.57 1fqt s ARG 5 CO 0.00 -0.62 0.18 1.33 -0.81 0.00 0.00 175.30 175.38 1fqt n VAL 6 N 4.76 0.02 -3.92 7.11 0.24 0.07 -4.97 118.33 121.64 1fqt n VAL 6 Ca 0.14 -0.20 0.00 0.00 -2.04 0.00 0.00 64.34 62.24 1fqt n VAL 6 Cb 0.43 0.26 0.01 0.00 -1.47 0.00 0.00 33.84 33.07 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 -3.59 6.48 0.57 0.00 -1.08 -1.26 -1.33 116.67 116.46 1fqt s ASP 8 Ca 0.25 0.54 0.32 0.00 -0.52 0.00 0.00 52.55 53.14 1fqt s ASP 8 Cb -0.01 -2.08 1.75 0.00 -1.46 0.00 0.00 42.92 41.12 1fqt s ASP 8 CO 0.02 0.24 2.19 0.08 0.52 0.00 0.00 175.17 178.21 1fqt h ARG 9 N 3.86 0.00 0.00 4.34 0.11 -0.92 0.69 114.38 122.47 1fqt h ARG 9 Ca -0.49 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.59 1fqt h ARG 9 Cb 1.19 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.27 1fqt h ARG 9 CO 0.67 0.05 0.00 0.54 0.10 0.00 0.00 179.97 181.33 1fqt n ARG 10 N -3.60 0.25 0.00 0.08 1.74 -1.26 -2.18 116.66 111.69 1fqt n ARG 10 Ca -0.02 0.08 0.14 0.00 -0.77 0.00 0.00 57.85 57.28 1fqt n ARG 10 Cb 0.15 -1.50 0.58 0.00 -1.02 0.00 0.00 32.46 30.67 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 -1.33 0.08 -3.71 0.55 8.00 0.24 -4.34 116.55 116.03 1fqt n ASP 11 Ca 0.10 0.34 -0.28 0.00 0.71 0.00 0.00 54.79 55.66 1fqt n ASP 11 Cb 0.20 -0.38 -0.12 0.00 -0.02 0.00 0.00 41.12 40.80 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 -2.97 1.74 0.84 2.53 1.01 -0.93 -4.87 120.40 117.76 1fqt s VAL 12 Ca 0.15 -3.26 -0.10 0.00 0.00 0.00 0.00 61.98 58.76 1fqt s VAL 12 Cb 0.19 -2.18 0.10 0.00 0.00 0.00 0.00 36.38 34.49 1fqt s VAL 12 CO 0.55 -1.02 1.11 -2.84 0.00 0.00 0.00 175.10 172.90 1fqt s PRO 13 N -0.43 1.68 0.20 2.72 0.02 -1.26 -4.73 135.00 133.20 1fqt s PRO 13 Ca 0.24 1.26 -0.33 0.00 0.02 0.00 0.00 61.00 62.20 1fqt s PRO 13 Cb -0.10 -1.82 -0.14 0.00 0.02 0.00 0.00 34.50 32.45 1fqt s PRO 13 CO -0.11 -2.07 1.36 -1.91 -0.33 0.00 0.00 177.00 173.93 1fqt n GLU 14 N -3.83 1.74 -0.99 5.54 0.00 -1.26 -1.27 120.64 120.57 1fqt n GLU 14 Ca 0.10 0.62 0.00 0.00 0.00 0.00 0.00 57.16 57.88 1fqt n GLU 14 Cb 0.53 -2.25 0.00 0.00 0.00 0.00 0.00 31.44 29.72 1fqt n GLU 14 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1fqt n GLY 15 N 2.34 0.69 3.79 8.31 0.00 0.22 -5.01 105.19 115.53 1fqt n GLY 15 Ca 0.14 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.09 2.21 0.06 1.61 0.41 -0.40 -4.76 118.70 117.74 1fqt s GLU 16 Ca 0.00 -2.12 0.00 0.00 -0.41 0.00 0.00 54.97 52.44 1fqt s GLU 16 Cb 0.00 -1.84 -0.04 0.00 -1.78 0.00 0.00 34.13 30.47 1fqt s GLU 16 CO 0.00 -0.37 -0.04 0.00 -0.49 0.00 0.00 175.26 174.36 1fqt s ALA 17 N -2.76 0.58 -0.05 5.21 0.00 -1.26 -1.65 121.76 121.83 1fqt s ALA 17 Ca 0.26 -1.14 -0.04 0.00 0.00 0.00 0.00 51.96 51.04 1fqt s ALA 17 Cb 0.01 0.21 0.02 0.00 0.00 0.00 0.00 23.12 23.36 1fqt s ALA 17 CO 0.15 -0.29 0.13 -1.17 0.00 0.00 0.00 175.76 174.58 1fqt s LEU 18 N -2.69 1.41 -0.11 0.00 2.96 -0.14 -4.96 118.68 115.15 1fqt s LEU 18 Ca 0.04 0.26 -0.11 0.00 -0.22 0.00 0.00 54.13 54.10 1fqt s LEU 18 Cb 0.04 0.42 -0.05 0.00 0.50 0.00 0.00 46.19 47.10 1fqt s LEU 18 CO -0.07 -0.06 0.25 -0.75 -1.32 0.00 0.00 176.35 174.40 1fqt s LYS 19 N 0.22 3.90 0.08 1.98 2.20 -1.26 -0.45 119.74 126.42 1fqt s LYS 19 Ca -0.01 0.05 0.06 0.00 -0.36 0.00 0.00 55.97 55.71 1fqt s LYS 19 Cb -0.02 -3.30 -0.03 0.00 -1.51 0.00 0.00 37.83 32.97 1fqt s LYS 19 CO -0.01 0.53 -0.16 0.14 -0.36 0.00 0.00 175.35 175.49 1fqt s VAL 20 N -0.40 1.27 0.10 4.02 -7.23 -0.11 -4.99 120.40 113.06 1fqt s VAL 20 Ca 0.17 -1.40 -0.16 0.00 -1.81 0.00 0.00 61.98 58.77 1fqt s VAL 20 Cb -0.13 -1.23 0.03 0.00 0.56 0.00 0.00 36.38 35.61 1fqt s VAL 20 CO 0.05 -0.20 0.39 -1.83 -0.31 0.00 0.00 175.10 173.20 1fqt s GLU 21 N -1.86 1.00 -0.17 4.82 -1.05 -1.26 -0.54 118.70 119.63 1fqt s GLU 21 Ca 0.01 -0.60 -0.05 0.00 -0.15 0.00 0.00 54.97 54.18 1fqt s GLU 21 Cb -0.10 0.44 0.09 0.00 -0.44 0.00 0.00 34.13 34.12 1fqt s GLU 21 CO 0.03 -0.37 0.29 0.45 0.95 0.00 0.00 175.26 176.61 1fqt s SER 22 N -2.53 0.45 -0.60 0.83 0.15 -0.53 -5.01 113.70 106.46 1fqt s SER 22 Ca 0.00 0.43 -0.07 0.00 0.70 0.00 0.00 55.95 57.00 1fqt s SER 22 Cb 0.01 0.80 0.01 0.00 -1.71 0.00 0.00 66.02 65.13 1fqt s SER 22 CO -0.09 -0.27 0.40 0.61 1.20 0.00 0.00 173.24 175.09 1fqt n GLY 23 N 5.35 -0.73 0.65 9.45 0.00 -1.26 -1.74 105.19 116.91 1fqt n GLY 23 Ca -0.06 0.33 0.00 0.00 0.00 0.00 0.00 46.02 46.29 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 -1.37 3.28 3.50 -0.02 0.00 -1.26 -5.02 105.19 104.29 1fqt n GLY 24 Ca -0.16 0.00 -0.41 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 -2.63 5.19 -0.11 2.61 2.01 -0.71 -5.06 115.64 116.94 1fqt s THR 25 Ca 0.00 -0.36 -0.01 0.00 0.31 0.00 0.00 61.69 61.63 1fqt s THR 25 Cb 0.00 -3.72 -0.03 0.00 0.01 0.00 0.00 72.50 68.76 1fqt s THR 25 CO 0.00 -0.08 -0.06 -0.44 -0.69 0.00 0.00 174.62 173.35 1fqt s SER 26 N 1.70 4.63 -0.05 3.53 0.01 -1.26 -1.45 113.70 120.81 1fqt s SER 26 Ca 0.06 -0.09 0.04 0.00 1.31 0.00 0.00 55.95 57.26 1fqt s SER 26 Cb -0.18 -1.44 -0.00 0.00 0.21 0.00 0.00 66.02 64.61 1fqt s SER 26 CO 0.10 0.27 -0.16 -0.69 0.41 0.00 0.00 173.24 173.17 1fqt s VAL 27 N -0.27 1.40 -0.18 3.43 1.01 0.29 -1.53 120.40 124.55 1fqt s VAL 27 Ca 0.04 -0.68 -0.10 0.00 0.00 0.00 0.00 61.98 61.23 1fqt s VAL 27 Cb -0.13 -1.21 -0.05 0.00 0.00 0.00 0.00 36.38 35.00 1fqt s VAL 27 CO 0.02 0.41 0.17 0.00 0.00 0.00 0.00 175.10 175.70 1fqt s ALA 28 N 0.15 3.70 -0.18 5.51 0.00 0.68 -0.94 121.76 130.67 1fqt s ALA 28 Ca -0.06 -0.62 -0.03 0.00 0.00 0.00 0.00 51.96 51.25 1fqt s ALA 28 Cb -0.12 -2.19 -0.01 0.00 0.00 0.00 0.00 23.12 20.79 1fqt s ALA 28 CO 0.03 0.22 -0.07 0.42 0.00 0.00 0.00 175.76 176.35 1fqt s ILE 29 N 0.15 3.36 -0.01 0.00 1.01 0.41 -1.24 121.20 124.88 1fqt s ILE 29 Ca 0.11 -0.52 0.05 0.00 0.00 0.00 0.00 60.65 60.29 1fqt s ILE 29 Cb -0.12 -2.48 -0.03 0.00 0.01 0.00 0.00 42.46 39.84 1fqt s ILE 29 CO 0.00 0.47 -0.16 -0.36 0.00 0.00 0.00 174.94 174.90 1fqt s PHE 30 N 0.92 2.65 -0.37 3.97 0.40 0.50 -0.96 117.98 125.09 1fqt s PHE 30 Ca -0.01 -0.20 -0.10 0.00 -0.60 0.00 0.00 56.93 56.03 1fqt s PHE 30 Cb -0.15 -1.57 0.04 0.00 0.51 0.00 0.00 43.02 41.85 1fqt s PHE 30 CO 0.00 0.21 0.18 1.21 0.70 0.00 0.00 175.22 177.53 1fqt s ASN 31 N -1.01 5.62 -0.38 1.36 3.84 -0.66 -0.93 114.94 122.78 1fqt s ASN 31 Ca 0.13 -1.08 -0.07 0.00 0.21 0.00 0.00 52.86 52.05 1fqt s ASN 31 Cb -0.11 -1.98 0.06 0.00 -0.55 0.00 0.00 41.25 38.68 1fqt s ASN 31 CO 0.03 -0.38 0.17 -0.69 -2.79 0.00 0.00 177.10 173.44 1fqt s VAL 32 N 1.50 3.87 -1.65 -5.21 1.01 -0.01 -0.61 120.40 119.31 1fqt s VAL 32 Ca 0.01 -1.36 -0.16 0.00 0.00 0.00 0.00 61.98 60.46 1fqt s VAL 32 Cb -0.20 -3.32 0.13 0.00 0.00 0.00 0.00 36.38 33.00 1fqt s VAL 32 CO 0.05 -0.37 0.83 0.47 0.00 0.00 0.00 175.10 176.08 1fqt n ASP 33 N 4.82 -3.60 0.00 3.32 8.00 -1.26 -1.74 116.55 126.09 1fqt n ASP 33 Ca -0.10 -0.95 0.00 0.00 0.71 0.00 0.00 54.79 54.45 1fqt n ASP 33 Cb 0.43 -3.09 0.00 0.00 -0.02 0.00 0.00 41.12 38.45 1fqt n ASP 33 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1fqt n GLY 34 N -1.50 0.79 3.56 0.44 0.00 -1.26 -5.05 105.19 102.15 1fqt n GLY 34 Ca 0.05 0.00 -0.32 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 -0.82 2.48 -0.08 1.61 2.02 -0.71 -5.11 118.70 118.09 1fqt s GLU 35 Ca 0.00 -0.75 -0.05 0.00 0.02 0.00 0.00 54.97 54.19 1fqt s GLU 35 Cb 0.00 -2.44 -0.04 0.00 0.10 0.00 0.00 34.13 31.75 1fqt s GLU 35 CO 0.00 0.60 0.15 -0.51 0.02 0.00 0.00 175.26 175.52 1fqt s LEU 36 N -1.29 4.35 -0.02 1.80 1.43 -1.26 -0.83 118.68 122.87 1fqt s LEU 36 Ca 0.16 0.41 0.03 0.00 -1.03 0.00 0.00 54.13 53.70 1fqt s LEU 36 Cb -0.11 -2.25 -0.00 0.00 0.03 0.00 0.00 46.19 43.86 1fqt s LEU 36 CO 0.06 0.36 -0.11 -0.36 0.23 0.00 0.00 176.35 176.52 1fqt s PHE 37 N -1.13 1.11 -0.11 0.29 0.40 -0.11 -4.95 117.98 113.48 1fqt s PHE 37 Ca 0.19 -0.26 0.01 0.00 -0.60 0.00 0.00 56.93 56.27 1fqt s PHE 37 Cb -0.12 -0.75 -0.02 0.00 0.51 0.00 0.00 43.02 42.64 1fqt s PHE 37 CO 0.09 -0.07 -0.14 0.00 0.70 0.00 0.00 175.22 175.80 1fqt s ALA 38 N -0.03 2.61 0.25 5.36 0.00 -1.26 -0.37 121.76 128.32 1fqt s ALA 38 Ca 0.00 -0.91 0.01 0.00 0.00 0.00 0.00 51.96 51.06 1fqt s ALA 38 Cb -0.07 -1.14 -0.05 0.00 0.00 0.00 0.00 23.12 21.86 1fqt s ALA 38 CO 0.00 0.32 0.10 0.95 0.00 0.00 0.00 175.76 177.14 1fqt s THR 39 N 0.10 0.46 0.61 0.00 -4.23 -0.37 -1.46 115.64 110.75 1fqt s THR 39 Ca -0.06 -2.00 -0.19 0.00 -1.18 0.00 0.00 61.69 58.26 1fqt s THR 39 Cb -0.15 -2.61 -0.03 0.00 1.34 0.00 0.00 72.50 71.05 1fqt s THR 39 CO 0.05 0.00 1.30 0.00 -0.54 0.00 0.00 174.62 175.42 1fqt s GLN 40 N -4.05 2.80 0.15 3.99 -2.07 -0.27 -0.23 119.66 119.98 1fqt s GLN 40 Ca 0.38 2.07 0.01 0.00 -1.82 0.00 0.00 55.36 56.00 1fqt s GLN 40 Cb 0.08 -1.98 -0.05 0.00 -1.09 0.00 0.00 33.01 29.96 1fqt s GLN 40 CO 0.13 -1.40 1.34 0.22 -1.32 0.00 0.00 175.29 174.26 1fqt h ASP 41 N 0.88 0.30 -3.62 12.60 3.58 -1.55 -3.38 116.42 125.24 1fqt h ASP 41 Ca -0.51 -0.26 -0.51 0.00 0.42 0.00 0.00 57.03 56.18 1fqt h ASP 41 Cb 1.32 -0.09 -0.02 0.00 1.72 0.00 0.00 39.33 42.25 1fqt h ASP 41 CO 0.55 1.07 0.28 -0.13 -2.88 0.00 0.00 179.24 178.13 1fqt s ARG 42 N -3.15 4.71 0.54 0.28 0.52 -1.26 0.16 118.95 120.74 1fqt s ARG 42 Ca -0.03 1.34 -0.22 0.00 -0.52 0.00 0.00 55.73 56.30 1fqt s ARG 42 Cb 0.10 -3.30 -0.05 0.00 0.52 0.00 0.00 34.95 32.22 1fqt s ARG 42 CO 0.84 0.46 1.34 0.00 0.02 0.00 0.00 175.30 177.96 1fqt n THR 44 N -0.99 0.58 1.11 0.00 -2.24 -1.26 -3.06 114.28 108.42 1fqt n THR 44 Ca 0.10 0.08 0.12 0.00 -2.27 0.00 0.00 64.05 62.08 1fqt n THR 44 Cb 0.45 -0.80 0.18 0.00 -2.10 0.00 0.00 70.33 68.07 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 -1.75 0.00 0.00 4.78 -0.00 -1.26 -4.94 115.22 112.05 1fqt n HIS 45 Ca 0.05 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.77 1fqt n HIS 45 Cb 0.28 -0.01 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 1.32 0.65 3.58 1.57 0.00 -1.17 -5.04 105.19 106.10 1fqt n GLY 46 Ca 0.14 -0.76 -0.43 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 6.79 -0.09 1.61 2.15 -1.26 -3.66 116.67 122.20 1fqt s ASP 47 Ca 0.00 -2.29 -0.04 0.00 0.43 0.00 0.00 52.55 50.65 1fqt s ASP 47 Cb 0.00 -2.58 0.04 0.00 -0.30 0.00 0.00 42.92 40.09 1fqt s ASP 47 CO 0.00 -1.22 0.21 0.86 -0.17 0.00 0.00 175.17 174.85 1fqt s TRP 48 N 4.32 -0.28 -0.02 -5.34 -0.11 -1.26 -5.02 118.94 111.24 1fqt s TRP 48 Ca 0.52 0.69 -0.30 0.00 1.22 0.00 0.00 56.10 58.24 1fqt s TRP 48 Cb 0.03 -0.01 -0.04 0.00 -1.50 0.00 0.00 33.47 31.95 1fqt s TRP 48 CO 0.05 -0.22 1.16 0.45 -4.62 0.00 0.00 176.95 173.77 1fqt s SER 49 N 1.33 7.11 0.32 5.86 0.15 -1.26 -1.17 113.70 126.05 1fqt s SER 49 Ca -0.08 1.83 0.17 0.00 0.70 0.00 0.00 55.95 58.57 1fqt s SER 49 Cb -0.11 -2.56 0.26 0.00 -1.71 0.00 0.00 66.02 61.90 1fqt s SER 49 CO -0.08 -0.51 1.54 -0.07 1.20 0.00 0.00 173.24 175.33 1fqt h LEU 50 N 7.66 0.00 0.20 3.45 3.38 -0.52 0.48 115.31 129.96 1fqt h LEU 50 Ca -0.37 0.00 -0.33 0.00 0.09 0.00 0.00 57.88 57.27 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 0.85 0.41 -1.54 0.77 0.09 0.00 0.00 178.44 179.01 1fqt h SER 51 N 0.00 0.67 0.47 -0.43 4.64 -1.89 -2.03 113.55 114.98 1fqt h SER 51 Ca -0.00 -0.82 -0.30 0.00 -0.47 0.00 0.00 61.79 60.20 1fqt h SER 51 Cb 1.22 -0.22 -0.05 0.00 -0.31 0.00 0.00 62.40 63.05 1fqt h SER 51 CO 0.05 1.66 -1.71 0.44 -0.87 0.00 0.00 176.83 176.40 1fqt h ASP 52 N 0.12 0.04 -1.17 4.97 3.45 -1.93 -3.39 116.42 118.50 1fqt h ASP 52 Ca -0.27 -0.08 -0.50 0.00 0.43 0.00 0.00 57.03 56.61 1fqt h ASP 52 Cb 2.11 -0.01 -0.42 0.00 -0.56 0.00 0.00 39.33 40.45 1fqt h ASP 52 CO 0.23 1.07 -0.88 0.61 -1.57 0.00 0.00 179.24 178.70 1fqt n GLY 53 N 1.59 4.74 3.02 2.75 0.00 0.17 -5.03 105.19 112.43 1fqt n GLY 53 Ca -0.18 -2.29 -0.11 0.00 0.00 0.00 0.00 46.02 43.45 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 -3.48 0.38 -0.19 -0.02 0.00 -0.76 -1.31 107.32 101.93 1fqt s GLY 54 Ca 0.42 -0.70 -0.01 0.00 0.00 0.00 0.00 44.72 44.43 1fqt s GLY 54 CO -0.08 -0.76 -0.12 -0.19 0.00 0.00 0.00 173.10 171.95 1fqt s TYR 55 N -1.52 2.86 -0.25 1.90 2.02 -0.31 -4.86 117.35 117.21 1fqt s TYR 55 Ca -0.12 -1.16 -0.13 0.00 -0.37 0.00 0.00 57.07 55.29 1fqt s TYR 55 Cb -0.09 -2.00 -0.04 0.00 -0.40 0.00 0.00 41.96 39.43 1fqt s TYR 55 CO -0.01 -0.60 0.27 -1.17 -1.57 0.00 0.00 175.55 172.48 1fqt s LEU 56 N 1.24 4.08 -0.29 -1.29 2.96 -1.26 -0.66 118.68 123.47 1fqt s LEU 56 Ca 0.03 0.22 0.02 0.00 -0.22 0.00 0.00 54.13 54.17 1fqt s LEU 56 Cb -0.14 -2.28 0.08 0.00 0.50 0.00 0.00 46.19 44.35 1fqt s LEU 56 CO -0.05 -0.06 -0.01 -0.70 -1.32 0.00 0.00 176.35 174.21 1fqt s GLU 57 N 1.54 1.60 7.82 1.98 -6.30 -0.22 -4.98 118.70 120.14 1fqt s GLU 57 Ca 0.12 -1.39 0.00 0.00 -2.50 0.00 0.00 54.97 51.19 1fqt s GLU 57 Cb -0.15 -2.80 0.00 0.00 0.00 0.00 0.00 34.13 31.18 1fqt s GLU 57 CO 0.08 -0.76 0.00 0.41 0.02 0.00 0.00 175.26 175.01 1fqt n GLY 58 N 4.49 3.18 1.04 -1.50 0.00 -1.26 -1.84 105.19 109.30 1fqt n GLY 58 Ca -0.06 -0.17 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 8.38 4.10 -4.26 1.61 5.68 -1.26 -4.81 116.55 126.00 1fqt n ASP 59 Ca 0.00 -2.88 -0.33 0.00 -0.50 0.00 0.00 54.79 51.07 1fqt n ASP 59 Cb 0.00 -0.54 -0.15 0.00 -1.14 0.00 0.00 41.12 39.29 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 -2.59 2.74 -0.14 2.12 1.01 -0.77 -0.48 120.40 122.29 1fqt s VAL 60 Ca 0.43 -0.73 -0.07 0.00 0.00 0.00 0.00 61.98 61.60 1fqt s VAL 60 Cb 0.33 -2.18 -0.04 0.00 0.00 0.00 0.00 36.38 34.49 1fqt s VAL 60 CO 0.11 0.50 0.12 0.54 0.00 0.00 0.00 175.10 176.37 1fqt s VAL 61 N 0.98 5.34 -0.16 2.92 0.11 -0.02 -1.06 120.40 128.51 1fqt s VAL 61 Ca -0.02 0.15 -0.04 0.00 -2.93 0.00 0.00 61.98 59.14 1fqt s VAL 61 Cb -0.15 -3.35 -0.03 0.00 -1.53 0.00 0.00 36.38 31.32 1fqt s VAL 61 CO -0.02 0.57 -0.03 -0.70 -3.33 0.00 0.00 175.10 171.59 1fqt s GLU 62 N -0.61 3.70 -0.06 1.54 2.12 0.17 -1.23 118.70 124.33 1fqt s GLU 62 Ca 0.12 -0.50 -0.30 0.00 0.36 0.00 0.00 54.97 54.65 1fqt s GLU 62 Cb -0.12 -2.94 -0.03 0.00 0.26 0.00 0.00 34.13 31.30 1fqt s GLU 62 CO 0.02 0.24 1.14 0.00 -0.54 0.00 0.00 175.26 176.12 1fqt n SER 64 N 5.01 0.00 -0.05 0.00 3.41 -0.43 -0.76 113.62 120.81 1fqt n SER 64 Ca 0.10 0.05 -0.09 0.00 -0.26 0.00 0.00 58.87 58.67 1fqt n SER 64 Cb 0.47 -0.33 -0.08 0.00 -0.26 0.00 0.00 64.21 64.01 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 -0.02 -2.56 1.04 5.85 -1.91 -3.41 115.31 114.29 1fqt h LEU 65 Ca 0.00 -0.60 0.00 0.00 0.84 0.00 0.00 57.88 58.12 1fqt h LEU 65 Cb 0.27 0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.31 1fqt h LEU 65 CO 0.00 0.76 -0.07 1.41 -0.34 0.00 0.00 178.44 180.20 1fqt n HIS 66 N -4.71 0.00 -1.61 1.25 8.25 -1.25 -5.01 115.22 112.15 1fqt n HIS 66 Ca -0.07 -0.53 -0.15 0.00 -0.26 0.00 0.00 57.72 56.72 1fqt n HIS 66 Cb 0.30 -0.08 -0.05 0.00 1.12 0.00 0.00 29.99 31.28 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 -0.68 -1.09 -1.44 -0.41 2.81 0.06 -4.51 117.12 111.87 1fqt n MET 67 Ca 0.05 0.97 -0.33 0.00 -1.81 0.00 0.00 57.70 56.59 1fqt n MET 67 Cb 0.48 -5.16 0.08 0.00 -0.71 0.00 0.00 33.22 27.92 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 -2.73 2.07 0.04 3.03 0.00 -1.24 -4.67 107.32 103.81 1fqt s GLY 68 Ca 0.00 0.60 0.03 0.00 0.00 0.00 0.00 44.72 45.35 1fqt s GLY 68 CO 0.00 0.97 -0.09 0.54 0.00 0.00 0.00 173.10 174.52 1fqt s LYS 69 N -4.26 0.60 0.04 2.90 1.02 -0.80 -0.32 119.74 118.92 1fqt s LYS 69 Ca 0.68 -0.69 0.02 0.00 0.02 0.00 0.00 55.97 56.00 1fqt s LYS 69 Cb -0.23 -0.46 -0.02 0.00 -0.52 0.00 0.00 37.83 36.60 1fqt s LYS 69 CO 0.47 0.10 -0.07 -0.06 -0.92 0.00 0.00 175.35 174.87 1fqt s PHE 70 N -1.09 0.61 -0.12 3.18 0.40 -0.36 -0.05 117.98 120.54 1fqt s PHE 70 Ca -0.06 -0.49 -0.25 0.00 -0.60 0.00 0.00 56.93 55.53 1fqt s PHE 70 Cb -0.08 -0.37 -0.02 0.00 0.51 0.00 0.00 43.02 43.05 1fqt s PHE 70 CO 0.01 -0.09 0.82 0.00 0.70 0.00 0.00 175.22 176.65 1fqt h VAL 72 N 5.03 0.00 0.04 0.00 -1.51 -1.12 0.43 116.25 119.13 1fqt h VAL 72 Ca -0.34 -0.43 -0.23 0.00 -1.23 0.00 0.00 66.70 64.47 1fqt h VAL 72 Cb 1.16 1.33 -0.00 0.00 -2.13 0.00 0.00 31.29 31.65 1fqt h VAL 72 CO 0.80 0.00 -1.02 0.03 -1.23 0.00 0.00 177.57 176.16 1fqt h ARG 73 N 0.00 0.27 0.00 5.19 3.08 -1.92 -3.39 114.38 117.61 1fqt h ARG 73 Ca 0.00 -0.35 0.00 0.00 0.07 0.00 0.00 59.98 59.70 1fqt h ARG 73 Cb 0.61 0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.77 1fqt h ARG 73 CO 0.00 1.09 -0.72 0.25 -1.07 0.00 0.00 179.97 179.52 1fqt n THR 74 N -3.63 0.00 -0.17 2.04 -2.24 -1.18 -5.00 114.28 104.10 1fqt n THR 74 Ca -0.06 -0.23 0.00 0.00 -2.27 0.00 0.00 64.05 61.49 1fqt n THR 74 Cb 0.89 0.68 0.00 0.00 -2.10 0.00 0.00 70.33 69.80 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 1.76 2.37 3.77 3.38 0.00 0.15 -4.31 105.19 112.31 1fqt n GLY 75 Ca -0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.10 3.40 0.13 1.61 1.02 -1.24 -0.32 119.74 124.24 1fqt s LYS 76 Ca 0.00 1.76 -0.31 0.00 0.02 0.00 0.00 55.97 57.45 1fqt s LYS 76 Cb 0.00 -2.15 -0.08 0.00 -0.52 0.00 0.00 37.83 35.08 1fqt s LYS 76 CO 0.00 -0.84 1.35 0.08 -0.92 0.00 0.00 175.35 175.01 1fqt s VAL 77 N -1.62 3.35 -0.08 3.17 1.01 -1.26 -0.89 120.40 124.09 1fqt s VAL 77 Ca 0.70 1.01 0.11 0.00 0.00 0.00 0.00 61.98 63.80 1fqt s VAL 77 Cb -0.28 -3.65 -0.16 0.00 0.00 0.00 0.00 36.38 32.29 1fqt s VAL 77 CO 0.33 0.10 0.27 0.29 0.00 0.00 0.00 175.10 176.08 1fqt n LYS 78 N 3.55 0.76 -3.66 2.72 4.76 0.92 -4.88 118.16 122.34 1fqt n LYS 78 Ca 0.10 -0.09 -0.14 0.00 -2.87 0.00 0.00 58.31 55.31 1fqt n LYS 78 Cb 0.43 -1.22 -0.08 0.00 -1.84 0.00 0.00 35.03 32.32 1fqt n LYS 78 CO 0.00 0.00 0.00 -1.12 -1.37 0.00 0.00 177.40 174.91 1fqt s SER 79 N -3.09 -0.66 1.18 4.39 0.01 -0.99 -4.88 113.70 109.66 1fqt s SER 79 Ca -0.03 1.25 -0.18 0.00 1.31 0.00 0.00 55.95 58.31 1fqt s SER 79 Cb 0.07 1.27 0.27 0.00 0.21 0.00 0.00 66.02 67.84 1fqt s SER 79 CO 0.45 -0.23 1.09 -2.84 0.41 0.00 0.00 173.24 172.12 1fqt s PRO 80 N 0.28 -1.00 0.56 12.44 0.02 -1.26 -1.90 135.00 144.13 1fqt s PRO 80 Ca -0.00 0.10 0.24 0.00 0.02 0.00 0.00 61.00 61.36 1fqt s PRO 80 Cb -0.04 -1.61 1.51 0.00 0.02 0.00 0.00 34.50 34.38 1fqt s PRO 80 CO 0.01 -3.60 2.12 -1.35 -0.33 0.00 0.00 177.00 173.85 1fqt h PRO 81 N -2.50 0.00 -6.78 5.54 0.11 -1.87 -3.33 132.00 123.17 1fqt h PRO 81 Ca -0.48 0.00 -0.57 0.00 0.11 0.00 0.00 66.00 65.06 1fqt h PRO 81 Cb 1.31 0.00 0.14 0.00 0.11 0.00 0.00 31.00 32.56 1fqt h PRO 81 CO 0.40 0.00 0.23 -2.30 -0.21 0.00 0.00 178.00 176.11 1fqt n PRO 82 N -4.15 1.27 0.00 1.05 -0.02 -1.26 -4.91 135.00 126.98 1fqt n PRO 82 Ca 0.01 0.47 0.00 0.00 -2.02 0.00 0.00 63.50 61.96 1fqt n PRO 82 Cb 0.27 -2.19 0.00 0.00 -0.02 0.00 0.00 33.50 31.57 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 -0.02 2.04 0.59 0.00 0.41 -1.26 -5.04 118.70 115.43 1fqt s GLU 84 Ca 0.00 -0.79 -0.17 0.00 -0.41 0.00 0.00 54.97 53.61 1fqt s GLU 84 Cb 0.00 -1.83 -0.03 0.00 -1.78 0.00 0.00 34.13 30.48 1fqt s GLU 84 CO 0.00 0.39 1.09 0.00 -0.49 0.00 0.00 175.26 176.25 1fqt s ALA 85 N -0.27 2.66 0.42 5.21 0.00 -1.26 -4.74 121.76 123.77 1fqt s ALA 85 Ca 0.02 0.55 -0.23 0.00 0.00 0.00 0.00 51.96 52.30 1fqt s ALA 85 Cb -0.11 -3.29 -0.09 0.00 0.00 0.00 0.00 23.12 19.64 1fqt s ALA 85 CO 0.01 -0.90 1.05 -0.51 0.00 0.00 0.00 175.76 175.42 1fqt s LEU 86 N -4.37 4.06 0.45 0.00 1.43 0.56 -4.96 118.68 115.84 1fqt s LEU 86 Ca 0.67 2.03 -0.22 0.00 -1.03 0.00 0.00 54.13 55.58 1fqt s LEU 86 Cb -0.19 -4.28 -0.09 0.00 0.03 0.00 0.00 46.19 41.66 1fqt s LEU 86 CO 0.35 -0.59 1.06 -0.54 0.23 0.00 0.00 176.35 176.85 1fqt s LYS 87 N -2.69 3.95 0.29 1.70 1.02 -1.26 -4.55 119.74 118.19 1fqt s LYS 87 Ca 0.61 1.47 0.09 0.00 0.02 0.00 0.00 55.97 58.16 1fqt s LYS 87 Cb -0.21 -2.32 -0.04 0.00 -0.52 0.00 0.00 37.83 34.73 1fqt s LYS 87 CO 0.26 -0.32 0.00 0.96 -0.92 0.00 0.00 175.35 175.34 1fqt s ILE 88 N -1.79 3.21 0.07 2.17 -4.36 0.91 -1.11 121.20 120.30 1fqt s ILE 88 Ca 0.63 -1.93 0.07 0.00 -0.26 0.00 0.00 60.65 59.16 1fqt s ILE 88 Cb -0.20 -2.82 -0.03 0.00 1.25 0.00 0.00 42.46 40.66 1fqt s ILE 88 CO 0.25 -0.33 -0.19 -0.36 0.24 0.00 0.00 174.94 174.55 1fqt s PHE 89 N -2.38 1.62 0.19 1.37 0.40 -0.53 -0.82 117.98 117.82 1fqt s PHE 89 Ca 0.33 -0.40 -0.30 0.00 -0.60 0.00 0.00 56.93 55.95 1fqt s PHE 89 Cb -0.05 -0.92 -0.09 0.00 0.51 0.00 0.00 43.02 42.47 1fqt s PHE 89 CO 0.20 0.12 1.38 -2.14 0.70 0.00 0.00 175.22 175.48 1fqt s PRO 90 N -1.55 4.33 0.00 0.24 0.02 -1.26 -4.40 135.00 132.38 1fqt s PRO 90 Ca 0.05 2.14 0.02 0.00 0.02 0.00 0.00 61.00 63.23 1fqt s PRO 90 Cb -0.09 -3.19 -0.01 0.00 0.02 0.00 0.00 34.50 31.23 1fqt s PRO 90 CO 0.03 -0.36 -0.07 -1.50 -0.33 0.00 0.00 177.00 174.76 1fqt s ILE 91 N 0.42 0.56 0.08 2.83 2.07 -1.26 -3.19 121.20 122.72 1fqt s ILE 91 Ca 0.60 -0.39 0.04 0.00 -1.41 0.00 0.00 60.65 59.50 1fqt s ILE 91 Cb -0.38 -0.49 -0.03 0.00 0.13 0.00 0.00 42.46 41.69 1fqt s ILE 91 CO 0.37 0.10 -0.11 -0.13 -1.91 0.00 0.00 174.94 173.25 1fqt s ARG 92 N -0.32 0.81 -0.11 3.50 1.81 0.15 -4.98 118.95 119.81 1fqt s ARG 92 Ca 0.02 -1.05 0.03 0.00 -1.72 0.00 0.00 55.73 53.00 1fqt s ARG 92 Cb -0.03 -0.62 0.01 0.00 -0.45 0.00 0.00 34.95 33.85 1fqt s ARG 92 CO -0.00 0.12 -0.20 0.42 -0.68 0.00 0.00 175.30 174.96 1fqt s ILE 93 N -1.92 1.81 -0.36 1.52 1.01 -1.26 -0.56 121.20 121.44 1fqt s ILE 93 Ca 0.01 -0.85 0.02 0.00 0.00 0.00 0.00 60.65 59.84 1fqt s ILE 93 Cb -0.06 -1.60 0.11 0.00 0.01 0.00 0.00 42.46 40.92 1fqt s ILE 93 CO 0.01 0.50 0.10 -1.61 0.00 0.00 0.00 174.94 173.94 1fqt s GLU 94 N 0.66 1.28 6.71 2.79 0.41 -0.14 -4.98 118.70 125.43 1fqt s GLU 94 Ca -0.12 -1.72 0.00 0.00 -0.41 0.00 0.00 54.97 52.72 1fqt s GLU 94 Cb -0.16 -2.79 0.00 0.00 -1.78 0.00 0.00 34.13 29.40 1fqt s GLU 94 CO 0.03 -0.99 0.00 -0.25 -0.49 0.00 0.00 175.26 173.56 1fqt n ASP 95 N 4.26 0.00 -0.81 -0.19 8.00 -1.26 -1.39 116.55 125.16 1fqt n ASP 95 Ca 0.03 0.00 0.08 0.00 0.71 0.00 0.00 54.79 55.61 1fqt n ASP 95 Cb 0.40 0.00 0.15 0.00 -0.02 0.00 0.00 41.12 41.65 1fqt n ASP 95 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1fqt n ASN 96 N 10.64 2.88 -4.78 -2.24 3.02 -1.26 -4.93 115.26 118.59 1fqt n ASN 96 Ca 0.00 -1.85 -0.39 0.00 -0.03 0.00 0.00 54.58 52.31 1fqt n ASN 96 Cb 0.00 -0.17 -0.06 0.00 -0.61 0.00 0.00 39.78 38.94 1fqt n ASN 96 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 1fqt s ASP 97 N -1.21 7.12 -0.16 6.41 1.01 -0.48 -0.23 116.67 129.13 1fqt s ASP 97 Ca 0.27 1.34 -0.04 0.00 0.71 0.00 0.00 52.55 54.83 1fqt s ASP 97 Cb 0.16 -2.41 -0.03 0.00 1.01 0.00 0.00 42.92 41.66 1fqt s ASP 97 CO 0.22 0.16 -0.04 -0.69 0.21 0.00 0.00 175.17 175.03 1fqt s VAL 98 N -0.62 3.84 0.05 -1.27 1.01 -0.44 -0.97 120.40 122.00 1fqt s VAL 98 Ca 0.33 -0.37 0.07 0.00 0.00 0.00 0.00 61.98 62.00 1fqt s VAL 98 Cb -0.20 -2.68 -0.03 0.00 0.00 0.00 0.00 36.38 33.47 1fqt s VAL 98 CO 0.20 0.49 -0.20 -0.76 0.00 0.00 0.00 175.10 174.84 1fqt s LEU 99 N 0.42 2.18 0.07 3.92 1.02 0.27 -0.75 118.68 125.81 1fqt s LEU 99 Ca -0.04 -0.53 0.01 0.00 0.02 0.00 0.00 54.13 53.59 1fqt s LEU 99 Cb -0.14 -0.90 -0.04 0.00 0.02 0.00 0.00 46.19 45.13 1fqt s LEU 99 CO 0.03 0.13 -0.05 0.68 0.02 0.00 0.00 176.35 177.15 1fqt s VAL 100 N -0.85 0.46 -0.37 -1.59 -7.23 -0.58 -0.68 120.40 109.57 1fqt s VAL 100 Ca 0.06 -1.69 -0.04 0.00 -1.81 0.00 0.00 61.98 58.50 1fqt s VAL 100 Cb -0.09 -1.36 0.08 0.00 0.56 0.00 0.00 36.38 35.57 1fqt s VAL 100 CO 0.02 -0.82 0.14 -0.62 -0.31 0.00 0.00 175.10 173.51 1fqt s ASP 101 N -2.67 5.24 0.55 4.85 -1.08 -1.19 -0.88 116.67 121.49 1fqt s ASP 101 Ca 0.05 -1.58 0.36 0.00 -0.52 0.00 0.00 52.55 50.86 1fqt s ASP 101 Cb 0.03 -1.83 1.76 0.00 -1.46 0.00 0.00 42.92 41.42 1fqt s ASP 101 CO -0.05 -0.43 2.09 -0.26 0.52 0.00 0.00 175.17 177.04 1fqt h PHE 102 N 8.13 0.00 -0.15 -5.34 -1.00 -1.92 -2.35 116.94 114.31 1fqt h PHE 102 Ca -0.19 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.59 1fqt h PHE 102 Cb 1.06 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.62 1fqt h PHE 102 CO 0.59 0.00 0.00 0.39 -1.61 0.00 0.00 178.31 177.68 1fqt n GLU 103 N -2.94 2.00 -0.56 1.51 -0.58 -1.26 -4.37 120.64 114.45 1fqt n GLU 103 Ca -0.01 -1.49 0.04 0.00 -0.42 0.00 0.00 57.16 55.28 1fqt n GLU 103 Cb 0.18 -1.45 0.23 0.00 -0.57 0.00 0.00 31.44 29.83 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 0.74 3.44 -1.77 0.62 0.00 -0.88 -5.03 120.51 117.64 1fqt n ALA 104 Ca 0.17 -2.62 -0.40 0.00 0.00 0.00 0.00 53.44 50.59 1fqt n ALA 104 Cb 0.45 -0.72 0.01 0.00 0.00 0.00 0.00 19.45 19.19 1fqt n ALA 104 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1fqt s GLY 105 N -2.18 2.93 0.22 0.00 0.00 -1.26 -4.51 107.32 102.52 1fqt s GLY 105 Ca 0.43 1.48 -0.13 0.00 0.00 0.00 0.00 44.72 46.50 1fqt s GLY 105 CO 0.06 2.11 0.44 -2.52 0.00 0.00 0.00 173.10 173.19 1fqt s TYR 106 N -1.19 0.29 -0.13 1.90 -0.85 0.00 -4.93 117.35 112.44 1fqt s TYR 106 Ca 0.59 -0.64 -0.10 0.00 -0.52 0.00 0.00 57.07 56.39 1fqt s TYR 106 Cb -0.44 0.17 -0.05 0.00 0.38 0.00 0.00 41.96 42.02 1fqt s TYR 106 CO 0.58 -0.92 0.21 -0.51 -1.52 0.00 0.00 175.55 173.39 1fqt s LEU 107 N -2.98 4.33 0.57 -3.49 1.43 -1.26 -0.06 118.68 117.21 1fqt s LEU 107 Ca 0.19 0.49 -0.20 0.00 -1.03 0.00 0.00 54.13 53.58 1fqt s LEU 107 Cb 0.00 -2.22 -0.04 0.00 0.03 0.00 0.00 46.19 43.96 1fqt s LEU 107 CO 0.05 0.27 1.27 0.00 0.23 0.00 0.00 176.35 178.17 1fqt s ALA 108 N -0.36 2.67 -1.95 4.21 0.00 -1.26 -4.99 121.76 120.08 1fqt s ALA 108 Ca 0.15 1.15 0.00 0.00 0.00 0.00 0.00 51.96 53.26 1fqt s ALA 108 Cb -0.13 -3.50 0.00 0.00 0.00 0.00 0.00 23.12 19.49 1fqt s ALA 108 CO 0.04 -1.25 0.49 -2.30 0.00 0.00 0.00 175.76 172.74