#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ga8 s LYS 2 N 0.00 4.59 0.14 3.17 2.36 -1.26 -1.14 119.74 127.60 3ga8 s LYS 2 Ca 0.00 1.33 -0.31 0.00 -2.55 0.00 0.00 55.97 54.43 3ga8 s LYS 2 Cb 0.00 -2.82 -0.10 0.00 -1.05 0.00 0.00 37.83 33.85 3ga8 s LYS 2 CO 0.00 0.29 1.76 0.00 1.55 0.00 0.00 175.35 178.95 3ga8 n PRO 4 N 5.12 1.03 -0.07 0.00 -0.04 -1.26 -1.37 135.00 138.42 3ga8 n PRO 4 Ca 0.17 -0.05 -0.13 0.00 -0.04 0.00 0.00 63.50 63.45 3ga8 n PRO 4 Cb 0.38 -1.35 -0.05 0.00 -0.04 0.00 0.00 33.50 32.44 3ga8 n PRO 4 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 3ga8 n VAL 5 N -0.79 0.73 0.73 0.52 0.31 -1.26 -4.79 118.33 113.77 3ga8 n VAL 5 Ca 0.17 -0.21 0.10 0.00 -0.01 0.00 0.00 64.34 64.38 3ga8 n VAL 5 Cb 0.09 -1.48 -0.12 0.00 -0.91 0.00 0.00 33.84 31.41 3ga8 n VAL 5 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3ga8 n HIS 7 N -1.63 -0.11 0.00 0.00 -0.00 -0.47 -4.67 115.22 108.34 3ga8 n HIS 7 Ca 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.74 3ga8 n HIS 7 Cb 0.36 -3.38 0.00 0.00 -0.00 0.00 0.00 29.99 26.97 3ga8 n HIS 7 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 3ga8 n GLN 8 N -2.35 0.00 -1.55 -0.41 10.64 -1.26 -4.91 117.38 117.54 3ga8 n GLN 8 Ca -0.20 0.00 -0.34 0.00 -1.83 0.00 0.00 57.00 54.63 3ga8 n GLN 8 Cb 0.65 -0.47 0.08 0.00 -0.86 0.00 0.00 30.24 29.64 3ga8 n GLN 8 CO 0.00 0.00 0.00 0.20 -1.83 0.00 0.00 177.06 175.43 3ga8 s GLY 9 N -3.61 2.25 0.01 2.61 0.00 -1.26 -4.81 107.32 102.50 3ga8 s GLY 9 Ca 0.00 0.73 -0.04 0.00 0.00 0.00 0.00 44.72 45.41 3ga8 s GLY 9 CO 0.00 1.11 0.23 -0.54 0.00 0.00 0.00 173.10 173.90 3ga8 s GLU 10 N -4.01 3.50 -0.02 2.90 8.01 -1.26 -0.60 118.70 127.22 3ga8 s GLU 10 Ca 0.71 -0.22 -0.21 0.00 0.01 0.00 0.00 54.97 55.26 3ga8 s GLU 10 Cb -0.25 -3.07 -0.05 0.00 -4.31 0.00 0.00 34.13 26.44 3ga8 s GLU 10 CO 0.44 0.65 0.60 -1.64 0.01 0.00 0.00 175.26 175.32 3ga8 s MET 11 N -1.93 4.34 0.08 1.61 -1.94 -0.29 -2.14 119.30 119.02 3ga8 s MET 11 Ca 0.28 0.74 0.06 0.00 -1.71 0.00 0.00 55.69 55.07 3ga8 s MET 11 Cb -0.13 -3.37 -0.03 0.00 2.01 0.00 0.00 34.83 33.32 3ga8 s MET 11 CO 0.18 0.30 -0.17 0.14 -0.01 0.00 0.00 175.02 175.47 3ga8 s VAL 12 N 0.03 1.38 0.00 -6.03 -7.23 -0.02 -4.44 120.40 104.09 3ga8 s VAL 12 Ca 0.32 -1.38 -0.30 0.00 -1.81 0.00 0.00 61.98 58.81 3ga8 s VAL 12 Cb -0.18 -1.28 -0.05 0.00 0.56 0.00 0.00 36.38 35.43 3ga8 s VAL 12 CO 0.17 -0.12 1.27 -0.55 -0.31 0.00 0.00 175.10 175.55 3ga8 s SER 13 N -1.74 6.99 0.36 4.85 0.15 -1.26 -0.24 113.70 122.81 3ga8 s SER 13 Ca 0.02 1.99 -0.15 0.00 0.70 0.00 0.00 55.95 58.51 3ga8 s SER 13 Cb -0.10 -2.57 0.06 0.00 -1.71 0.00 0.00 66.02 61.70 3ga8 s SER 13 CO 0.03 -0.59 0.78 0.61 1.20 0.00 0.00 173.24 175.27 3ga8 n GLY 14 N 3.41 0.98 2.98 9.45 0.00 -0.44 -4.95 105.19 116.62 3ga8 n GLY 14 Ca 0.11 -1.24 -0.24 0.00 0.00 0.00 0.00 46.02 44.65 3ga8 n GLY 14 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ga8 s ILE 15 N -2.13 1.03 0.04 -0.61 1.01 -1.26 -1.55 121.20 117.73 3ga8 s ILE 15 Ca 0.16 -0.39 0.02 0.00 0.00 0.00 0.00 60.65 60.45 3ga8 s ILE 15 Cb -0.05 -0.97 -0.02 0.00 0.01 0.00 0.00 42.46 41.43 3ga8 s ILE 15 CO 0.11 0.34 -0.08 -0.75 0.00 0.00 0.00 174.94 174.56 3ga8 s LYS 16 N 0.93 0.55 -0.24 2.79 2.20 -0.42 -4.86 119.74 120.69 3ga8 s LYS 16 Ca -0.10 -0.72 -0.14 0.00 -0.36 0.00 0.00 55.97 54.65 3ga8 s LYS 16 Cb -0.15 -0.35 -0.04 0.00 -1.51 0.00 0.00 37.83 35.78 3ga8 s LYS 16 CO 0.01 0.07 0.32 -0.51 -0.36 0.00 0.00 175.35 174.87 3ga8 s ASP 17 N -1.45 6.28 -0.27 1.43 1.01 -1.26 -0.83 116.67 121.57 3ga8 s ASP 17 Ca -0.08 0.31 -0.00 0.00 0.71 0.00 0.00 52.55 53.49 3ga8 s ASP 17 Cb -0.09 -2.19 0.04 0.00 1.01 0.00 0.00 42.92 41.70 3ga8 s ASP 17 CO 0.00 -0.07 -0.05 -0.63 0.21 0.00 0.00 175.17 174.63 3ga8 s ILE 18 N 1.49 2.72 0.45 0.77 1.01 0.14 -4.90 121.20 122.89 3ga8 s ILE 18 Ca 0.14 -1.32 -0.25 0.00 0.00 0.00 0.00 60.65 59.22 3ga8 s ILE 18 Cb -0.15 -2.50 -0.08 0.00 0.01 0.00 0.00 42.46 39.74 3ga8 s ILE 18 CO 0.08 0.03 1.38 -2.84 0.00 0.00 0.00 174.94 173.59 3ga8 s PRO 19 N 1.24 3.70 -0.14 2.79 0.02 -1.26 -0.47 135.00 140.88 3ga8 s PRO 19 Ca -0.04 2.32 -0.08 0.00 0.02 0.00 0.00 61.00 63.22 3ga8 s PRO 19 Cb -0.19 -2.63 0.05 0.00 0.02 0.00 0.00 34.50 31.75 3ga8 s PRO 19 CO -0.03 -0.77 0.33 -0.47 -0.33 0.00 0.00 177.00 175.73 3ga8 s TYR 20 N -1.24 -0.46 -0.13 6.54 5.04 -0.44 -4.88 117.35 121.77 3ga8 s TYR 20 Ca 0.61 1.03 0.01 0.00 -2.44 0.00 0.00 57.07 56.28 3ga8 s TYR 20 Cb -0.42 0.16 -0.01 0.00 0.35 0.00 0.00 41.96 42.04 3ga8 s TYR 20 CO 0.53 -0.28 -0.16 0.99 -1.34 0.00 0.00 175.55 175.30 3ga8 s THR 21 N 1.20 2.75 -0.07 4.34 2.01 -1.26 -0.44 115.64 124.18 3ga8 s THR 21 Ca -0.08 -0.76 -0.01 0.00 0.31 0.00 0.00 61.69 61.15 3ga8 s THR 21 Cb -0.09 -2.14 0.03 0.00 0.01 0.00 0.00 72.50 70.31 3ga8 s THR 21 CO -0.09 0.53 0.00 0.12 -0.69 0.00 0.00 174.62 174.48 3ga8 s PHE 22 N 0.52 0.64 -1.59 4.92 5.36 -0.13 -4.82 117.98 122.88 3ga8 s PHE 22 Ca -0.10 -0.15 -0.16 0.00 -0.96 0.00 0.00 56.93 55.56 3ga8 s PHE 22 Cb -0.16 -0.77 0.11 0.00 -0.34 0.00 0.00 43.02 41.86 3ga8 s PHE 22 CO 0.04 -0.31 0.92 0.54 -1.46 0.00 0.00 175.22 174.95 3ga8 n ARG 23 N 5.06 -4.73 -0.78 10.12 1.74 -1.26 -0.81 116.66 126.00 3ga8 n ARG 23 Ca -0.09 0.52 0.00 0.00 -0.77 0.00 0.00 57.85 57.52 3ga8 n ARG 23 Cb 0.50 -5.37 0.00 0.00 -1.02 0.00 0.00 32.46 26.57 3ga8 n ARG 23 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3ga8 n GLY 24 N -1.58 1.41 3.72 -0.13 0.00 -1.26 -5.01 105.19 102.34 3ga8 n GLY 24 Ca 0.06 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.71 3ga8 n GLY 24 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3ga8 s ARG 25 N -0.01 4.25 -0.14 1.61 1.81 0.01 -5.07 118.95 121.41 3ga8 s ARG 25 Ca 0.00 0.09 -0.07 0.00 -1.72 0.00 0.00 55.73 54.04 3ga8 s ARG 25 Cb 0.00 -3.44 -0.04 0.00 -0.45 0.00 0.00 34.95 31.02 3ga8 s ARG 25 CO 0.00 0.21 0.10 0.15 -0.68 0.00 0.00 175.30 175.08 3ga8 s LYS 26 N 0.56 3.55 0.29 3.54 1.02 -1.26 -0.95 119.74 126.49 3ga8 s LYS 26 Ca 0.16 -0.22 -0.02 0.00 0.02 0.00 0.00 55.97 55.91 3ga8 s LYS 26 Cb -0.13 -3.16 -0.01 0.00 -0.52 0.00 0.00 37.83 34.01 3ga8 s LYS 26 CO 0.04 0.62 0.36 -0.08 -0.92 0.00 0.00 175.35 175.37 3ga8 s THR 27 N -0.59 0.00 -0.11 2.17 -1.32 0.41 -5.01 115.64 111.19 3ga8 s THR 27 Ca 0.12 -1.73 0.01 0.00 -1.21 0.00 0.00 61.69 58.87 3ga8 s THR 27 Cb -0.12 -2.51 0.02 0.00 -1.51 0.00 0.00 72.50 68.38 3ga8 s THR 27 CO 0.02 0.00 -0.12 -0.69 -2.21 0.00 0.00 174.62 171.62 3ga8 s VAL 28 N -3.52 1.32 -0.46 5.08 1.01 -1.26 -1.33 120.40 121.23 3ga8 s VAL 28 Ca 0.33 -0.51 -0.26 0.00 0.00 0.00 0.00 61.98 61.54 3ga8 s VAL 28 Cb 0.02 -1.24 0.03 0.00 0.00 0.00 0.00 36.38 35.18 3ga8 s VAL 28 CO 0.18 0.41 0.97 -0.76 0.00 0.00 0.00 175.10 175.90 3ga8 s LEU 29 N 1.28 3.93 0.11 3.92 1.43 0.38 -4.85 118.68 124.88 3ga8 s LEU 29 Ca -0.01 0.23 -0.18 0.00 -1.03 0.00 0.00 54.13 53.14 3ga8 s LEU 29 Cb -0.14 -3.27 -0.07 0.00 0.03 0.00 0.00 46.19 42.74 3ga8 s LEU 29 CO -0.05 -1.07 0.57 -0.54 0.23 0.00 0.00 176.35 175.49 3ga8 s LYS 30 N 3.87 4.12 -0.88 1.70 -0.14 -1.26 -0.68 119.74 126.47 3ga8 s LYS 30 Ca 0.39 0.66 -0.04 0.00 -1.36 0.00 0.00 55.97 55.62 3ga8 s LYS 30 Cb -0.10 -3.11 0.00 0.00 -1.68 0.00 0.00 37.83 32.95 3ga8 s LYS 30 CO 0.27 0.57 0.75 0.41 -0.76 0.00 0.00 175.35 176.59 3ga8 n GLY 31 N 1.35 -0.07 3.55 -3.33 0.00 -1.19 -4.96 105.19 100.54 3ga8 n GLY 31 Ca -0.08 -0.06 -0.43 0.00 0.00 0.00 0.00 46.02 45.45 3ga8 n GLY 31 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ga8 s ILE 32 N -3.23 4.74 0.35 -0.61 -1.09 -0.01 -4.79 121.20 116.56 3ga8 s ILE 32 Ca 0.25 0.50 -0.26 0.00 -2.23 0.00 0.00 60.65 58.90 3ga8 s ILE 32 Cb -0.11 -4.24 -0.09 0.00 -1.58 0.00 0.00 42.46 36.44 3ga8 s ILE 32 CO 0.49 -0.57 1.03 -1.00 -1.23 0.00 0.00 174.94 173.66 3ga8 s HIS 33 N 3.07 3.47 -0.88 3.97 3.76 -1.26 -1.30 115.29 126.12 3ga8 s HIS 33 Ca 0.28 1.70 0.00 0.00 -0.15 0.00 0.00 55.06 56.89 3ga8 s HIS 33 Cb -0.13 -3.10 0.00 0.00 1.11 0.00 0.00 32.58 30.46 3ga8 s HIS 33 CO 0.20 -0.35 0.00 0.41 -0.85 0.00 0.00 174.74 174.15 3ga8 n GLY 34 N 0.61 -1.40 3.83 -2.22 0.00 -0.60 -4.87 105.19 100.55 3ga8 n GLY 34 Ca 0.03 -1.05 -0.38 0.00 0.00 0.00 0.00 46.02 44.62 3ga8 n GLY 34 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ga8 s LEU 35 N 0.00 4.45 -0.01 0.99 1.43 -0.08 -1.32 118.68 124.14 3ga8 s LEU 35 Ca 0.00 0.88 0.04 0.00 -1.03 0.00 0.00 54.13 54.01 3ga8 s LEU 35 Cb 0.00 -2.51 -0.01 0.00 0.03 0.00 0.00 46.19 43.70 3ga8 s LEU 35 CO 0.00 0.32 -0.12 -0.31 0.23 0.00 0.00 176.35 176.47 3ga8 s TYR 36 N -0.97 1.09 -0.07 0.29 2.02 0.67 -0.53 117.35 119.85 3ga8 s TYR 36 Ca 0.22 -0.22 -0.30 0.00 -0.37 0.00 0.00 57.07 56.41 3ga8 s TYR 36 Cb -0.16 -0.71 -0.03 0.00 -0.40 0.00 0.00 41.96 40.67 3ga8 s TYR 36 CO 0.12 -0.03 1.15 0.00 -1.57 0.00 0.00 175.55 175.22 3ga8 h VAL 38 N 5.05 0.00 0.00 0.00 -1.51 -1.78 -2.04 116.25 115.97 3ga8 h VAL 38 Ca -0.33 -0.22 -0.18 0.00 -1.23 0.00 0.00 66.70 64.74 3ga8 h VAL 38 Cb 1.15 1.15 -0.03 0.00 -2.13 0.00 0.00 31.29 31.44 3ga8 h VAL 38 CO 0.88 0.00 -1.37 1.57 -1.23 0.00 0.00 177.57 177.41 3ga8 n HIS 39 N -2.94 0.47 0.41 5.19 -0.00 -1.26 -4.73 115.22 112.35 3ga8 n HIS 39 Ca -0.01 0.20 0.05 0.00 -0.00 0.00 0.00 57.72 57.96 3ga8 n HIS 39 Cb 0.17 -0.85 0.01 0.00 -0.00 0.00 0.00 29.99 29.32 3ga8 n HIS 39 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 3ga8 n GLU 41 N -0.12 -0.67 -1.54 0.00 1.02 -0.77 -4.99 120.64 113.57 3ga8 n GLU 41 Ca 0.04 0.17 -0.45 0.00 -0.02 0.00 0.00 57.16 56.90 3ga8 n GLU 41 Cb 0.20 -3.78 -0.01 0.00 -0.02 0.00 0.00 31.44 27.83 3ga8 n GLU 41 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 3ga8 n GLU 42 N -1.39 1.04 -4.55 3.49 4.07 -1.26 -4.52 120.64 117.52 3ga8 n GLU 42 Ca 0.00 0.37 -0.33 0.00 -0.06 0.00 0.00 57.16 57.14 3ga8 n GLU 42 Cb 0.17 -1.67 -0.11 0.00 -0.06 0.00 0.00 31.44 29.77 3ga8 n GLU 42 CO 0.00 0.00 0.00 0.45 -0.06 0.00 0.00 177.13 177.52 3ga8 s SER 43 N -0.68 4.57 -0.15 4.31 0.15 -1.26 -0.77 113.70 119.86 3ga8 s SER 43 Ca 0.60 -0.12 0.00 0.00 0.70 0.00 0.00 55.95 57.14 3ga8 s SER 43 Cb -0.73 -1.08 0.02 0.00 -1.71 0.00 0.00 66.02 62.53 3ga8 s SER 43 CO 0.59 0.31 -0.14 -0.63 1.20 0.00 0.00 173.24 174.58 3ga8 s ILE 44 N -0.92 1.56 -0.10 6.45 1.01 0.31 -4.99 121.20 124.52 3ga8 s ILE 44 Ca 0.15 -0.66 0.04 0.00 0.00 0.00 0.00 60.65 60.19 3ga8 s ILE 44 Cb -0.11 -1.48 -0.00 0.00 0.01 0.00 0.00 42.46 40.88 3ga8 s ILE 44 CO 0.05 0.43 -0.24 -0.04 0.00 0.00 0.00 174.94 175.14 3ga8 s MET 45 N 1.49 2.98 0.65 2.79 -1.94 -1.26 -0.90 119.30 123.11 3ga8 s MET 45 Ca 0.04 -0.87 -0.11 0.00 -1.71 0.00 0.00 55.69 53.04 3ga8 s MET 45 Cb -0.13 -2.27 0.15 0.00 2.01 0.00 0.00 34.83 34.60 3ga8 s MET 45 CO -0.10 0.19 0.78 0.27 -0.01 0.00 0.00 175.02 176.15 3ga8 n ASN 46 N 3.48 -0.46 -0.03 3.03 0.23 -1.26 -4.59 115.26 115.66 3ga8 n ASN 46 Ca -0.19 -1.18 -0.09 0.00 -0.53 0.00 0.00 54.58 52.59 3ga8 n ASN 46 Cb 0.53 -0.63 -0.03 0.00 -2.08 0.00 0.00 39.78 37.57 3ga8 n ASN 46 CO 0.00 0.00 0.00 0.50 -0.93 0.00 0.00 177.26 176.83 3ga8 h LYS 47 N 0.00 0.08 -0.50 -3.83 1.63 -2.00 0.26 116.57 112.20 3ga8 h LYS 47 Ca -0.26 -0.00 -0.07 0.00 -0.85 0.00 0.00 60.65 59.46 3ga8 h LYS 47 Cb 0.74 -0.02 -0.02 0.00 -0.60 0.00 0.00 32.23 32.34 3ga8 h LYS 47 CO 0.18 0.05 0.02 0.93 -3.45 0.00 0.00 179.45 177.18 3ga8 h GLU 48 N 0.08 0.87 -0.68 1.90 3.07 -2.00 -0.23 114.58 117.60 3ga8 h GLU 48 Ca 0.08 -0.27 -0.03 0.00 -0.50 0.00 0.00 59.36 58.64 3ga8 h GLU 48 Cb 0.09 -0.08 -0.03 0.00 -0.84 0.00 0.00 28.75 27.88 3ga8 h GLU 48 CO -0.12 0.89 0.30 0.93 -1.40 0.00 0.00 179.01 179.61 3ga8 h GLU 49 N 0.74 1.00 -0.55 2.33 5.08 -1.84 -2.11 114.58 119.23 3ga8 h GLU 49 Ca 0.14 -0.17 -0.09 0.00 -1.00 0.00 0.00 59.36 58.25 3ga8 h GLU 49 Cb 0.49 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.55 3ga8 h GLU 49 CO 0.02 0.82 -0.01 0.77 -1.00 0.00 0.00 179.01 179.61 3ga8 h SER 50 N 0.96 0.93 -0.38 1.42 0.02 -0.12 -0.81 113.55 115.58 3ga8 h SER 50 Ca 0.23 -0.25 -0.01 0.00 -0.84 0.00 0.00 61.79 60.91 3ga8 h SER 50 Cb 0.17 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 62.44 3ga8 h SER 50 CO -0.02 1.00 0.18 0.44 -1.14 0.00 0.00 176.83 177.28 3ga8 h ASP 51 N 0.88 0.50 -0.37 3.07 3.32 -0.76 0.86 116.42 123.92 3ga8 h ASP 51 Ca 0.16 -0.13 -0.01 0.00 0.02 0.00 0.00 57.03 57.07 3ga8 h ASP 51 Cb 0.53 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 39.93 3ga8 h ASP 51 CO 0.03 0.49 0.18 0.00 -1.72 0.00 0.00 179.24 178.21 3ga8 h ALA 52 N 1.03 0.48 -0.01 3.45 0.00 -1.15 -1.16 119.26 121.90 3ga8 h ALA 52 Ca 0.13 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 3ga8 h ALA 52 Cb 0.12 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 3ga8 h ALA 52 CO -0.02 0.04 0.00 0.35 0.00 0.00 0.00 179.25 179.63 3ga8 h PHE 53 N 0.46 0.01 -0.00 0.00 3.57 -0.92 -2.72 116.94 117.33 3ga8 h PHE 53 Ca 0.13 -0.00 -0.08 0.00 3.53 0.00 0.00 57.97 61.55 3ga8 h PHE 53 Cb 0.12 -0.00 -0.01 0.00 2.79 0.00 0.00 35.95 38.84 3ga8 h PHE 53 CO -0.01 0.08 -0.37 0.52 -2.23 0.00 0.00 178.31 176.30 3ga8 h MET 54 N -0.07 0.01 -0.68 1.11 2.86 -0.78 -1.46 114.93 115.92 3ga8 h MET 54 Ca 0.00 -0.00 0.02 0.00 -2.06 0.00 0.00 59.70 57.66 3ga8 h MET 54 Cb 0.08 -0.00 -0.04 0.00 0.06 0.00 0.00 31.60 31.70 3ga8 h MET 54 CO -0.00 0.37 0.44 0.00 1.06 0.00 0.00 176.91 178.78 3ga8 h ALA 55 N 1.63 0.87 -0.28 6.32 0.00 -1.03 0.15 119.26 126.93 3ga8 h ALA 55 Ca -0.00 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 3ga8 h ALA 55 Cb 0.65 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 3ga8 h ALA 55 CO 0.05 0.25 0.09 1.96 0.00 0.00 0.00 179.25 181.60 3ga8 h GLN 56 N 0.89 0.43 -0.18 0.00 4.20 -1.08 -1.34 115.11 118.03 3ga8 h GLN 56 Ca 0.26 -0.09 0.01 0.00 0.06 0.00 0.00 58.65 58.89 3ga8 h GLN 56 Cb -0.06 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 27.64 3ga8 h GLN 56 CO -0.07 0.48 0.09 0.28 -0.67 0.00 0.00 178.83 178.94 3ga8 h VAL 57 N 0.29 1.01 -0.13 -0.54 2.07 -1.00 -1.64 116.25 116.31 3ga8 h VAL 57 Ca 0.09 -0.07 -0.15 0.00 0.82 0.00 0.00 66.70 67.39 3ga8 h VAL 57 Cb 0.23 0.79 -0.01 0.00 -1.52 0.00 0.00 31.29 30.78 3ga8 h VAL 57 CO -0.00 0.04 -0.57 0.11 0.02 0.00 0.00 177.57 177.17 3ga8 h LYS 58 N 0.20 0.40 -0.71 1.57 1.57 -0.67 -0.92 116.57 118.02 3ga8 h LYS 58 Ca 0.07 -0.26 0.01 0.00 -1.87 0.00 0.00 60.65 58.60 3ga8 h LYS 58 Cb 0.01 0.03 -0.04 0.00 0.08 0.00 0.00 32.23 32.31 3ga8 h LYS 58 CO -0.04 0.86 0.47 0.00 -0.57 0.00 0.00 179.45 180.16 3ga8 h ALA 59 N 1.09 0.90 0.09 3.86 0.00 -1.08 -0.29 119.26 123.83 3ga8 h ALA 59 Ca 0.00 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 3ga8 h ALA 59 Cb 1.08 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.60 3ga8 h ALA 59 CO 0.10 0.31 -0.04 0.35 0.00 0.00 0.00 179.25 179.96 3ga8 h PHE 60 N 0.95 -0.11 -0.56 0.00 3.57 -0.95 -1.98 116.94 117.85 3ga8 h PHE 60 Ca 0.26 -0.00 0.07 0.00 3.53 0.00 0.00 57.97 61.83 3ga8 h PHE 60 Cb -0.10 0.04 -0.06 0.00 2.79 0.00 0.00 35.95 38.62 3ga8 h PHE 60 CO -0.03 0.14 0.23 0.00 -2.23 0.00 0.00 178.31 176.43 3ga8 h ARG 61 N -0.36 0.42 -0.66 1.11 3.08 -1.07 -0.52 114.38 116.39 3ga8 h ARG 61 Ca -0.01 -0.03 0.04 0.00 0.07 0.00 0.00 59.98 60.05 3ga8 h ARG 61 Cb 0.30 -0.10 -0.05 0.00 0.08 0.00 0.00 29.97 30.21 3ga8 h ARG 61 CO 0.02 0.28 0.40 0.00 -1.07 0.00 0.00 179.97 179.60 3ga8 h ALA 62 N 1.36 0.87 -0.26 0.04 0.00 -0.94 -0.25 119.26 120.08 3ga8 h ALA 62 Ca 0.27 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.16 3ga8 h ALA 62 Cb 0.28 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 3ga8 h ALA 62 CO -0.25 0.13 0.11 1.03 0.00 0.00 0.00 179.25 180.28 3ga8 h SER 63 N 0.77 0.35 -0.50 0.00 0.87 -0.74 -1.29 113.55 113.02 3ga8 h SER 63 Ca 0.27 -0.15 0.01 0.00 -1.23 0.00 0.00 61.79 60.70 3ga8 h SER 63 Cb 0.07 -0.09 -0.03 0.00 -0.44 0.00 0.00 62.40 61.91 3ga8 h SER 63 CO -0.13 0.40 0.31 0.58 -0.53 0.00 0.00 176.83 177.47 3ga8 h VAL 64 N 0.28 1.09 -0.41 2.23 2.07 -0.78 -2.26 116.25 118.46 3ga8 h VAL 64 Ca 0.09 -0.22 -0.06 0.00 0.82 0.00 0.00 66.70 67.33 3ga8 h VAL 64 Cb 0.16 0.40 -0.02 0.00 -1.52 0.00 0.00 31.29 30.31 3ga8 h VAL 64 CO -0.01 0.12 -0.01 0.78 0.02 0.00 0.00 177.57 178.47 3ga8 h ASN 65 N 0.63 0.64 0.49 0.57 2.35 -0.90 -2.37 115.58 116.98 3ga8 h ASN 65 Ca 0.19 -0.14 0.00 0.00 -0.55 0.00 0.00 56.30 55.80 3ga8 h ASN 65 Cb -0.03 -0.17 0.00 0.00 0.05 0.00 0.00 38.32 38.17 3ga8 h ASN 65 CO -0.06 0.71 -0.02 0.00 -1.65 0.00 0.00 177.43 176.41 3ga8 n ALA 66 N -2.48 2.56 0.36 -0.83 0.00 -0.50 -5.10 120.51 114.52 3ga8 n ALA 66 Ca 0.02 -0.17 0.04 0.00 0.00 0.00 0.00 53.44 53.33 3ga8 n ALA 66 Cb 0.28 -1.46 0.04 0.00 0.00 0.00 0.00 19.45 18.31 3ga8 n ALA 66 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89