#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gd6 s LYS 2 N 0.00 0.83 0.16 2.12 1.02 -1.26 -4.13 119.74 118.47 3gd6 s LYS 2 Ca 0.00 -0.11 -0.31 0.00 0.02 0.00 0.00 55.97 55.57 3gd6 s LYS 2 Cb 0.00 -0.83 -0.09 0.00 -0.52 0.00 0.00 37.83 36.40 3gd6 s LYS 2 CO 0.00 -0.07 1.39 0.42 -0.92 0.00 0.00 175.35 176.17 3gd6 s ILE 3 N 0.87 3.15 -0.01 2.17 1.01 -0.05 -1.24 121.20 127.09 3gd6 s ILE 3 Ca -0.12 0.87 0.02 0.00 0.00 0.00 0.00 60.65 61.42 3gd6 s ILE 3 Cb -0.14 -3.56 -0.02 0.00 0.01 0.00 0.00 42.46 38.75 3gd6 s ILE 3 CO 0.00 0.09 0.02 0.35 0.00 0.00 0.00 174.94 175.41 3gd6 n THR 4 N 3.43 0.04 -3.77 2.92 -2.24 -0.30 -0.59 114.28 113.77 3gd6 n THR 4 Ca 0.10 -0.05 -0.07 0.00 -2.27 0.00 0.00 64.05 61.76 3gd6 n THR 4 Cb 0.42 -0.10 -0.02 0.00 -2.10 0.00 0.00 70.33 68.53 3gd6 n THR 4 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3gd6 s ASP 5 N -2.58 -0.30 -0.03 3.42 2.15 -1.20 -4.95 116.67 113.18 3gd6 s ASP 5 Ca -0.01 -0.47 -0.03 0.00 0.43 0.00 0.00 52.55 52.47 3gd6 s ASP 5 Cb 0.01 0.67 0.01 0.00 -0.30 0.00 0.00 42.92 43.30 3gd6 s ASP 5 CO 0.07 -1.21 0.08 -0.22 -0.17 0.00 0.00 175.17 173.71 3gd6 s LEU 6 N -2.89 1.70 -0.06 -1.34 2.96 -1.26 -0.92 118.68 116.87 3gd6 s LEU 6 Ca 0.09 0.15 0.05 0.00 -0.22 0.00 0.00 54.13 54.20 3gd6 s LEU 6 Cb -0.04 0.27 -0.00 0.00 0.50 0.00 0.00 46.19 46.91 3gd6 s LEU 6 CO 0.03 -0.03 -0.21 -1.61 -1.32 0.00 0.00 176.35 173.20 3gd6 s GLU 7 N 0.01 2.33 -0.26 1.98 2.02 0.15 -4.99 118.70 119.95 3gd6 s GLU 7 Ca -0.00 -0.77 0.00 0.00 0.02 0.00 0.00 54.97 54.22 3gd6 s GLU 7 Cb -0.01 -1.94 0.08 0.00 0.10 0.00 0.00 34.13 32.36 3gd6 s GLU 7 CO 0.00 0.28 0.02 -0.51 0.02 0.00 0.00 175.26 175.07 3gd6 s LEU 8 N 0.04 2.56 -0.20 1.80 1.43 -1.26 -1.59 118.68 121.46 3gd6 s LEU 8 Ca -0.07 -1.38 -0.02 0.00 -1.03 0.00 0.00 54.13 51.63 3gd6 s LEU 8 Cb -0.14 -1.06 0.00 0.00 0.03 0.00 0.00 46.19 45.02 3gd6 s LEU 8 CO 0.04 -0.32 -0.10 -1.00 0.23 0.00 0.00 176.35 175.20 3gd6 s HIS 9 N 1.46 2.89 0.26 0.29 3.76 -0.75 -4.94 115.29 118.25 3gd6 s HIS 9 Ca 0.01 -1.16 -0.29 0.00 -0.15 0.00 0.00 55.06 53.47 3gd6 s HIS 9 Cb -0.18 -2.03 -0.09 0.00 1.11 0.00 0.00 32.58 31.39 3gd6 s HIS 9 CO -0.12 -0.62 0.94 0.00 -0.85 0.00 0.00 174.74 174.10 3gd6 s ALA 10 N 1.35 3.31 0.04 -1.40 0.00 -1.26 -0.49 121.76 123.31 3gd6 s ALA 10 Ca 0.04 0.61 0.01 0.00 0.00 0.00 0.00 51.96 52.62 3gd6 s ALA 10 Cb -0.14 -3.21 -0.03 0.00 0.00 0.00 0.00 23.12 19.75 3gd6 s ALA 10 CO -0.06 0.19 -0.06 0.14 0.00 0.00 0.00 175.76 175.98 3gd6 s VAL 11 N -1.27 0.38 -0.16 0.00 -7.23 0.16 -1.83 120.40 110.45 3gd6 s VAL 11 Ca 0.43 -1.13 -0.00 0.00 -1.81 0.00 0.00 61.98 59.46 3gd6 s VAL 11 Cb -0.25 -0.63 0.04 0.00 0.56 0.00 0.00 36.38 36.10 3gd6 s VAL 11 CO 0.31 -0.50 -0.07 -0.83 -0.31 0.00 0.00 175.10 173.69 3gd6 s GLY 12 N -1.74 1.00 -0.26 2.32 0.00 0.13 -0.63 107.32 108.13 3gd6 s GLY 12 Ca -0.09 -0.84 -0.06 0.00 0.00 0.00 0.00 44.72 43.72 3gd6 s GLY 12 CO -0.01 0.84 0.04 -0.42 0.00 0.00 0.00 173.10 173.55 3gd6 s ILE 13 N 1.60 3.85 0.23 0.90 1.09 -1.03 -4.78 121.20 123.05 3gd6 s ILE 13 Ca 0.02 -0.54 -0.31 0.00 -1.10 0.00 0.00 60.65 58.71 3gd6 s ILE 13 Cb -0.15 -2.89 -0.12 0.00 -1.06 0.00 0.00 42.46 38.25 3gd6 s ILE 13 CO -0.08 0.23 1.66 -2.84 -0.10 0.00 0.00 174.94 173.81 3gd6 s PRO 14 N 1.51 4.13 0.72 2.79 0.02 -1.26 -3.21 135.00 139.70 3gd6 s PRO 14 Ca 0.04 2.57 -0.08 0.00 0.02 0.00 0.00 61.00 63.55 3gd6 s PRO 14 Cb -0.16 -3.07 0.06 0.00 0.02 0.00 0.00 34.50 31.35 3gd6 s PRO 14 CO 0.01 -0.70 1.04 1.03 -0.33 0.00 0.00 177.00 178.05 3gd6 s ARG 15 N 0.64 2.24 0.00 5.54 0.52 0.22 -4.19 118.95 123.92 3gd6 s ARG 15 Ca 0.71 -0.13 0.02 0.00 -0.52 0.00 0.00 55.73 55.80 3gd6 s ARG 15 Cb -0.48 -2.13 0.10 0.00 0.52 0.00 0.00 34.95 32.96 3gd6 s ARG 15 CO 0.37 -1.26 0.47 0.72 0.02 0.00 0.00 175.30 175.62 3gd6 n HIS 16 N -2.98 0.00 0.38 -0.53 8.25 -0.99 -0.04 115.22 119.30 3gd6 n HIS 16 Ca 0.08 0.00 0.04 0.00 -0.26 0.00 0.00 57.72 57.58 3gd6 n HIS 16 Cb 0.60 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.70 3gd6 n HIS 16 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 3gd6 n THR 17 N -0.86 0.00 0.00 1.59 -2.24 -1.26 -4.99 114.28 106.52 3gd6 n THR 17 Ca 0.01 -0.39 0.00 0.00 -2.27 0.00 0.00 64.05 61.40 3gd6 n THR 17 Cb 0.01 1.08 0.00 0.00 -2.10 0.00 0.00 70.33 69.32 3gd6 n THR 17 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3gd6 n GLY 18 N 0.89 2.99 3.76 3.38 0.00 0.94 -5.03 105.19 112.11 3gd6 n GLY 18 Ca 0.03 -0.26 -0.39 0.00 0.00 0.00 0.00 46.02 45.40 3gd6 n GLY 18 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3gd6 s PHE 19 N -2.25 2.38 -0.20 1.61 2.19 -1.26 -4.40 117.98 116.04 3gd6 s PHE 19 Ca 0.00 1.31 -0.02 0.00 0.33 0.00 0.00 56.93 58.55 3gd6 s PHE 19 Cb 0.00 -3.87 -0.00 0.00 -1.31 0.00 0.00 43.02 37.84 3gd6 s PHE 19 CO 0.00 -2.93 -0.09 0.08 1.83 0.00 0.00 175.22 174.11 3gd6 s VAL 20 N -1.25 3.05 0.06 3.12 1.01 -1.26 0.69 120.40 125.82 3gd6 s VAL 20 Ca 0.66 -0.61 -0.18 0.00 0.00 0.00 0.00 61.98 61.85 3gd6 s VAL 20 Cb -0.42 -2.35 -0.06 0.00 0.00 0.00 0.00 36.38 33.54 3gd6 s VAL 20 CO 0.53 0.46 0.52 0.20 0.00 0.00 0.00 175.10 176.81 3gd6 s ASN 21 N 1.27 6.99 -0.18 3.32 0.01 -1.20 -4.88 114.94 120.26 3gd6 s ASN 21 Ca 0.03 1.17 -0.08 0.00 -0.71 0.00 0.00 52.86 53.27 3gd6 s ASN 21 Cb -0.14 -2.33 -0.04 0.00 0.41 0.00 0.00 41.25 39.15 3gd6 s ASN 21 CO -0.04 0.28 0.09 -0.54 -1.51 0.00 0.00 177.10 175.38 3gd6 s LYS 22 N -1.13 4.01 0.36 -0.60 1.02 -1.26 -2.47 119.74 119.66 3gd6 s LYS 22 Ca 0.28 -0.29 0.06 0.00 0.02 0.00 0.00 55.97 56.04 3gd6 s LYS 22 Cb -0.19 -3.28 -0.07 0.00 -0.52 0.00 0.00 37.83 33.77 3gd6 s LYS 22 CO 0.17 0.32 0.00 -1.01 -0.92 0.00 0.00 175.35 173.92 3gd6 s HIS 23 N 0.26 2.25 -0.11 3.18 3.76 0.20 -3.96 115.29 120.88 3gd6 s HIS 23 Ca 0.06 -0.75 0.02 0.00 -0.15 0.00 0.00 55.06 54.24 3gd6 s HIS 23 Cb -0.12 -1.48 0.01 0.00 1.11 0.00 0.00 32.58 32.10 3gd6 s HIS 23 CO -0.00 0.30 -0.15 0.08 -0.85 0.00 0.00 174.74 174.11 3gd6 s VAL 24 N -2.93 1.51 -0.24 -0.90 1.01 0.09 -0.66 120.40 118.28 3gd6 s VAL 24 Ca 0.34 -0.65 -0.15 0.00 0.00 0.00 0.00 61.98 61.52 3gd6 s VAL 24 Cb 0.08 -1.37 -0.04 0.00 0.00 0.00 0.00 36.38 35.05 3gd6 s VAL 24 CO 0.16 0.44 0.36 -0.63 0.00 0.00 0.00 175.10 175.43 3gd6 s ILE 25 N 0.95 5.21 -0.10 2.22 -1.09 0.36 -0.49 121.20 128.26 3gd6 s ILE 25 Ca -0.07 0.58 -0.09 0.00 -2.23 0.00 0.00 60.65 58.84 3gd6 s ILE 25 Cb -0.15 -3.69 -0.04 0.00 -1.58 0.00 0.00 42.46 37.00 3gd6 s ILE 25 CO -0.01 0.22 0.19 -0.69 -1.23 0.00 0.00 174.94 173.42 3gd6 s VAL 26 N 1.64 5.42 -0.11 2.92 1.01 0.82 -1.81 120.40 130.28 3gd6 s VAL 26 Ca 0.16 0.32 -0.02 0.00 0.00 0.00 0.00 61.98 62.45 3gd6 s VAL 26 Cb -0.15 -3.46 0.04 0.00 0.00 0.00 0.00 36.38 32.81 3gd6 s VAL 26 CO 0.08 0.60 0.00 -0.54 0.00 0.00 0.00 175.10 175.25 3gd6 s LYS 27 N -0.98 0.75 -0.27 2.72 1.02 -0.62 -1.34 119.74 121.02 3gd6 s LYS 27 Ca 0.16 -0.09 -0.08 0.00 0.02 0.00 0.00 55.97 55.98 3gd6 s LYS 27 Cb -0.13 -1.38 -0.02 0.00 -0.52 0.00 0.00 37.83 35.78 3gd6 s LYS 27 CO 0.05 -0.39 0.10 0.42 -0.92 0.00 0.00 175.35 174.61 3gd6 s ILE 28 N 1.90 4.45 0.26 2.17 1.01 0.05 -0.67 121.20 130.37 3gd6 s ILE 28 Ca 0.03 -0.23 0.01 0.00 0.00 0.00 0.00 60.65 60.47 3gd6 s ILE 28 Cb -0.14 -3.14 -0.04 0.00 0.01 0.00 0.00 42.46 39.16 3gd6 s ILE 28 CO -0.06 0.25 0.43 -1.00 0.00 0.00 0.00 174.94 174.56 3gd6 s HIS 29 N 1.62 3.48 0.24 3.97 3.76 -0.10 -1.43 115.29 126.83 3gd6 s HIS 29 Ca 0.06 0.24 0.03 0.00 -0.15 0.00 0.00 55.06 55.24 3gd6 s HIS 29 Cb -0.16 -1.78 -0.05 0.00 1.11 0.00 0.00 32.58 31.70 3gd6 s HIS 29 CO 0.05 0.32 0.03 0.95 -0.85 0.00 0.00 174.74 175.23 3gd6 s THR 30 N -2.04 0.91 0.42 1.30 -4.23 -1.13 -1.15 115.64 109.73 3gd6 s THR 30 Ca 0.38 -2.02 0.10 0.00 -1.18 0.00 0.00 61.69 58.97 3gd6 s THR 30 Cb -0.10 -2.43 0.21 0.00 1.34 0.00 0.00 72.50 71.52 3gd6 s THR 30 CO 0.31 -0.23 2.01 -2.24 -0.54 0.00 0.00 174.62 173.93 3gd6 h ASP 31 N 2.44 0.24 1.80 3.99 2.03 -1.50 -2.07 116.42 123.34 3gd6 h ASP 31 Ca -0.38 -0.03 0.00 0.00 -0.73 0.00 0.00 57.03 55.89 3gd6 h ASP 31 Cb 1.23 -0.06 0.00 0.00 -0.83 0.00 0.00 39.33 39.67 3gd6 h ASP 31 CO 0.64 0.28 -0.05 -0.33 -1.03 0.00 0.00 179.24 178.75 3gd6 h GLU 32 N 0.26 0.00 0.00 4.15 5.08 -1.97 -3.48 114.58 118.62 3gd6 h GLU 32 Ca 0.06 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 3gd6 h GLU 32 Cb 0.17 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.42 3gd6 h GLU 32 CO 0.00 0.00 0.00 0.41 -1.00 0.00 0.00 179.01 178.42 3gd6 n GLY 33 N 1.16 2.24 3.77 -3.84 0.00 -0.78 -5.09 105.19 102.65 3gd6 n GLY 33 Ca 0.04 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.70 3gd6 n GLY 33 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3gd6 s LEU 34 N 0.00 3.87 -0.03 0.99 1.02 -1.26 -4.75 118.68 118.52 3gd6 s LEU 34 Ca 0.00 2.33 0.03 0.00 0.02 0.00 0.00 54.13 56.51 3gd6 s LEU 34 Cb 0.00 -4.39 0.00 0.00 0.02 0.00 0.00 46.19 41.82 3gd6 s LEU 34 CO 0.00 -1.17 -0.13 -0.89 0.02 0.00 0.00 176.35 174.18 3gd6 s THR 35 N -1.59 1.09 -0.14 5.49 2.01 -1.26 -2.84 115.64 118.40 3gd6 s THR 35 Ca 0.69 -0.52 -0.06 0.00 0.31 0.00 0.00 61.69 62.11 3gd6 s THR 35 Cb -0.29 -0.95 -0.04 0.00 0.01 0.00 0.00 72.50 71.23 3gd6 s THR 35 CO 0.34 0.32 0.08 -0.83 -0.69 0.00 0.00 174.62 173.84 3gd6 s GLY 36 N 0.14 2.00 0.01 4.40 0.00 -0.51 -4.68 107.32 108.68 3gd6 s GLY 36 Ca -0.04 -0.71 0.03 0.00 0.00 0.00 0.00 44.72 44.00 3gd6 s GLY 36 CO 0.01 -0.26 -0.06 -0.26 0.00 0.00 0.00 173.10 172.54 3gd6 s ILE 37 N -0.48 3.69 0.28 0.90 -4.36 -1.26 -0.77 121.20 119.21 3gd6 s ILE 37 Ca 0.11 -0.80 -0.08 0.00 -0.26 0.00 0.00 60.65 59.62 3gd6 s ILE 37 Cb -0.12 -2.63 -0.00 0.00 1.25 0.00 0.00 42.46 40.96 3gd6 s ILE 37 CO 0.02 0.36 0.45 -0.83 0.24 0.00 0.00 174.94 175.17 3gd6 s GLY 38 N -1.53 1.00 -0.03 6.27 0.00 -0.45 -3.80 107.32 108.79 3gd6 s GLY 38 Ca 0.18 -1.22 0.01 0.00 0.00 0.00 0.00 44.72 43.69 3gd6 s GLY 38 CO 0.09 -0.85 -0.02 1.85 0.00 0.00 0.00 173.10 174.16 3gd6 s GLU 39 N -3.61 0.45 -0.40 2.90 2.12 -1.26 -0.13 118.70 118.78 3gd6 s GLU 39 Ca 0.27 -0.04 -0.06 0.00 0.36 0.00 0.00 54.97 55.51 3gd6 s GLU 39 Cb 0.00 -0.53 0.09 0.00 0.26 0.00 0.00 34.13 33.94 3gd6 s GLU 39 CO 0.14 -0.06 0.21 -1.64 -0.54 0.00 0.00 175.26 173.37 3gd6 s MET 40 N 0.68 2.39 0.22 4.30 -1.94 0.36 -3.83 119.30 121.48 3gd6 s MET 40 Ca -0.07 -1.56 0.02 0.00 -1.71 0.00 0.00 55.69 52.37 3gd6 s MET 40 Cb -0.11 -3.64 0.02 0.00 2.01 0.00 0.00 34.83 33.11 3gd6 s MET 40 CO -0.01 -0.95 0.17 -1.13 -0.01 0.00 0.00 175.02 173.09 3gd6 n SER 41 N 4.77 1.61 -1.85 3.03 3.41 -1.26 -0.73 113.62 122.60 3gd6 n SER 41 Ca -0.08 -1.73 -0.20 0.00 -0.26 0.00 0.00 58.87 56.60 3gd6 n SER 41 Cb 0.42 -0.03 -0.06 0.00 -0.26 0.00 0.00 64.21 64.29 3gd6 n SER 41 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 3gd6 n ASP 42 N -2.01 -5.59 0.18 4.04 9.92 -1.26 -4.84 116.55 116.99 3gd6 n ASP 42 Ca -0.00 0.31 0.14 0.00 -0.53 0.00 0.00 54.79 54.70 3gd6 n ASP 42 Cb 0.24 -4.78 0.60 0.00 -0.64 0.00 0.00 41.12 36.54 3gd6 n ASP 42 CO 0.00 0.00 0.00 -0.26 0.13 0.00 0.00 177.20 177.07 3gd6 h PHE 43 N 0.00 0.00 -0.48 1.24 -1.00 -1.87 -3.28 116.94 111.56 3gd6 h PHE 43 Ca -0.44 0.00 -0.55 0.00 2.81 0.00 0.00 57.97 59.78 3gd6 h PHE 43 Cb 1.34 0.00 -0.07 0.00 3.61 0.00 0.00 35.95 40.83 3gd6 h PHE 43 CO 0.56 0.00 1.96 0.43 -1.61 0.00 0.00 178.31 179.66 3gd6 n SER 44 N -2.50 7.42 -4.04 2.17 7.64 -1.26 -4.82 113.62 118.22 3gd6 n SER 44 Ca 0.01 -2.80 -0.08 0.00 1.01 0.00 0.00 58.87 57.01 3gd6 n SER 44 Cb 0.21 -1.42 -0.10 0.00 -1.01 0.00 0.00 64.21 61.89 3gd6 n SER 44 CO 0.00 0.00 0.00 -1.00 -3.01 0.00 0.00 175.04 171.03 3gd6 s HIS 45 N 0.39 0.43 0.77 1.43 3.76 -1.24 -5.09 115.29 115.75 3gd6 s HIS 45 Ca 0.63 -0.90 -0.11 0.00 -0.15 0.00 0.00 55.06 54.53 3gd6 s HIS 45 Cb 0.25 -0.32 0.06 0.00 1.11 0.00 0.00 32.58 33.68 3gd6 s HIS 45 CO -0.08 -0.36 1.10 -0.51 -0.85 0.00 0.00 174.74 174.04 3gd6 s LEU 46 N -2.60 3.05 0.75 0.89 2.01 -1.26 -4.63 118.68 116.88 3gd6 s LEU 46 Ca 0.02 1.87 -0.15 0.00 0.01 0.00 0.00 54.13 55.88 3gd6 s LEU 46 Cb 0.04 -4.53 0.05 0.00 0.01 0.00 0.00 46.19 41.76 3gd6 s LEU 46 CO -0.08 -2.09 1.22 -2.16 1.01 0.00 0.00 176.35 174.25 3gd6 s PRO 47 N -4.82 2.00 -0.97 1.29 0.04 -1.26 -4.79 135.00 126.49 3gd6 s PRO 47 Ca 0.62 1.79 -0.08 0.00 0.04 0.00 0.00 61.00 63.38 3gd6 s PRO 47 Cb -0.18 -1.81 -0.14 0.00 0.04 0.00 0.00 34.50 32.41 3gd6 s PRO 47 CO 0.55 -1.95 3.03 -0.11 0.04 0.00 0.00 177.00 178.56 3gd6 n LEU 48 N -2.84 6.97 -4.00 -3.56 7.94 -1.26 -4.82 117.00 115.42 3gd6 n LEU 48 Ca 0.14 -3.71 -0.08 0.00 -1.11 0.00 0.00 56.01 51.24 3gd6 n LEU 48 Cb 0.50 -1.42 -0.10 0.00 0.53 0.00 0.00 43.42 42.93 3gd6 n LEU 48 CO 0.48 1.73 -0.29 -0.72 -1.11 0.00 0.00 177.39 177.47 3gd6 s TYR 49 N 1.95 0.35 0.09 1.96 -0.85 -1.26 -5.08 117.35 114.51 3gd6 s TYR 49 Ca 0.64 -0.78 0.09 0.00 -0.52 0.00 0.00 57.07 56.50 3gd6 s TYR 49 Cb 0.21 -0.26 -0.04 0.00 0.38 0.00 0.00 41.96 42.26 3gd6 s TYR 49 CO -0.04 -0.37 -0.20 -1.54 -1.52 0.00 0.00 175.55 171.88 3gd6 s SER 50 N -2.47 3.69 0.05 -0.18 1.04 -1.26 -5.00 113.70 109.56 3gd6 s SER 50 Ca 0.00 -0.56 -0.20 0.00 0.48 0.00 0.00 55.95 55.67 3gd6 s SER 50 Cb 0.02 -0.48 -0.06 0.00 0.10 0.00 0.00 66.02 65.60 3gd6 s SER 50 CO -0.07 0.21 0.58 -0.69 0.98 0.00 0.00 173.24 174.25 3gd6 s VAL 51 N -1.03 4.79 -0.44 5.02 1.01 -1.26 -5.02 120.40 123.48 3gd6 s VAL 51 Ca 0.16 1.24 -0.29 0.00 0.00 0.00 0.00 61.98 63.09 3gd6 s VAL 51 Cb -0.10 -3.92 0.02 0.00 0.00 0.00 0.00 36.38 32.38 3gd6 s VAL 51 CO 0.07 0.50 1.32 -0.62 0.00 0.00 0.00 175.10 176.37 3gd6 s ASP 52 N -0.76 6.43 0.30 3.32 -1.08 -1.26 -4.62 116.67 119.01 3gd6 s ASP 52 Ca 0.30 0.69 0.05 0.00 -0.52 0.00 0.00 52.55 53.07 3gd6 s ASP 52 Cb -0.19 -2.54 0.48 0.00 -1.46 0.00 0.00 42.92 39.20 3gd6 s ASP 52 CO 0.18 -1.38 1.74 -0.07 0.52 0.00 0.00 175.17 176.16 3gd6 h LEU 53 N 11.91 0.36 0.02 -1.34 3.38 -1.95 -0.43 115.31 127.26 3gd6 h LEU 53 Ca -0.26 -0.13 -0.00 0.00 0.09 0.00 0.00 57.88 57.58 3gd6 h LEU 53 Cb 1.09 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.74 3gd6 h LEU 53 CO 1.10 0.65 -0.01 -0.74 0.09 0.00 0.00 178.44 179.53 3gd6 h HIS 54 N 0.32 -0.02 -0.63 1.13 2.76 -1.96 0.35 115.15 117.09 3gd6 h HIS 54 Ca 0.04 -0.00 -0.05 0.00 -2.20 0.00 0.00 60.37 58.17 3gd6 h HIS 54 Cb 0.68 0.01 -0.03 0.00 1.55 0.00 0.00 27.41 29.62 3gd6 h HIS 54 CO 0.02 -0.01 0.21 0.22 -1.30 0.00 0.00 177.93 177.07 3gd6 h ASP 55 N -0.04 0.91 -0.74 3.26 3.58 -1.94 -2.78 116.42 118.67 3gd6 h ASP 55 Ca -0.00 -0.20 -0.01 0.00 0.42 0.00 0.00 57.03 57.24 3gd6 h ASP 55 Cb 0.03 -0.24 -0.04 0.00 1.72 0.00 0.00 39.33 40.81 3gd6 h ASP 55 CO 0.00 0.86 0.43 0.25 -2.88 0.00 0.00 179.24 177.91 3gd6 h LEU 56 N 0.90 0.91 -0.34 2.28 5.85 -0.74 -1.15 115.31 123.01 3gd6 h LEU 56 Ca 0.20 -0.08 0.03 0.00 0.84 0.00 0.00 57.88 58.87 3gd6 h LEU 56 Cb 0.27 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 41.05 3gd6 h LEU 56 CO -0.01 0.72 0.17 0.50 -0.34 0.00 0.00 178.44 179.47 3gd6 h LYS 57 N 1.02 0.34 -0.22 1.25 3.64 -0.77 -0.41 116.57 121.42 3gd6 h LYS 57 Ca 0.27 -0.02 0.03 0.00 -1.27 0.00 0.00 60.65 59.65 3gd6 h LYS 57 Cb -0.01 -0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 31.71 3gd6 h LYS 57 CO -0.05 0.22 0.05 1.96 -2.27 0.00 0.00 179.45 179.37 3gd6 h GLN 58 N 0.35 0.14 -0.52 1.90 1.08 -1.17 -0.03 115.11 116.85 3gd6 h GLN 58 Ca 0.15 -0.01 -0.03 0.00 -1.45 0.00 0.00 58.65 57.30 3gd6 h GLN 58 Cb 0.06 -0.03 -0.02 0.00 -0.05 0.00 0.00 27.48 27.44 3gd6 h GLN 58 CO -0.11 0.09 0.20 0.78 -0.95 0.00 0.00 178.83 178.84 3gd6 h GLY 59 N 0.14 0.84 1.62 3.46 0.00 -0.95 -1.80 103.07 106.39 3gd6 h GLY 59 Ca 0.10 -0.47 -0.09 0.00 0.00 0.00 0.00 47.33 46.87 3gd6 h GLY 59 CO -0.12 0.44 -0.22 1.41 0.00 0.00 0.00 176.54 178.04 3gd6 h LEU 60 N 0.70 0.44 -0.42 3.11 3.38 -0.85 -2.82 115.31 118.85 3gd6 h LEU 60 Ca 0.17 -0.14 -0.15 0.00 0.09 0.00 0.00 57.88 57.85 3gd6 h LEU 60 Cb 0.22 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 3gd6 h LEU 60 CO -0.01 0.67 -0.33 -0.07 0.09 0.00 0.00 178.44 178.79 3gd6 h LEU 61 N 0.40 1.01 -1.86 1.67 3.38 -0.79 -1.11 115.31 118.02 3gd6 h LEU 61 Ca 0.06 -0.44 0.07 0.00 0.09 0.00 0.00 57.88 57.66 3gd6 h LEU 61 Cb 0.61 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.06 3gd6 h LEU 61 CO 0.04 1.24 0.25 0.28 0.09 0.00 0.00 178.44 180.35 3gd6 h SER 62 N 0.79 0.15 0.10 -0.43 0.02 -1.09 0.53 113.55 113.62 3gd6 h SER 62 Ca 0.08 0.00 -0.16 0.00 -0.84 0.00 0.00 61.79 60.87 3gd6 h SER 62 Cb 0.92 -0.03 0.01 0.00 0.14 0.00 0.00 62.40 63.44 3gd6 h SER 62 CO 0.09 0.09 -0.74 0.40 -1.14 0.00 0.00 176.83 175.54 3gd6 h ILE 63 N 0.17 1.49 0.00 3.27 2.04 -1.30 -3.39 117.51 119.77 3gd6 h ILE 63 Ca 0.16 -2.46 -0.22 0.00 1.00 0.00 0.00 64.86 63.34 3gd6 h ILE 63 Cb 0.44 3.14 -0.03 0.00 -0.74 0.00 0.00 36.82 39.62 3gd6 h ILE 63 CO -0.02 0.68 -1.20 -0.07 0.00 0.00 0.00 178.15 177.53 3gd6 h LEU 64 N -0.53 0.00 -9.21 1.44 3.38 -0.65 -3.46 115.31 106.28 3gd6 h LEU 64 Ca -0.14 0.00 -0.70 0.00 0.09 0.00 0.00 57.88 57.13 3gd6 h LEU 64 Cb 1.50 0.00 0.03 0.00 0.09 0.00 0.00 40.66 42.28 3gd6 h LEU 64 CO 0.09 0.91 0.81 -0.11 0.09 0.00 0.00 178.44 180.23 3gd6 n LEU 65 N -3.20 2.38 0.00 1.67 7.94 0.18 -1.43 117.00 124.54 3gd6 n LEU 65 Ca -0.06 1.07 0.00 0.00 -1.11 0.00 0.00 56.01 55.91 3gd6 n LEU 65 Cb 0.94 -1.20 0.00 0.00 0.53 0.00 0.00 43.42 43.70 3gd6 n LEU 65 CO 0.45 -0.53 0.00 0.61 -1.11 0.00 0.00 177.39 176.81 3gd6 n GLY 66 N 3.77 1.21 3.90 -3.96 0.00 0.25 -4.97 105.19 105.38 3gd6 n GLY 66 Ca 0.23 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.97 3gd6 n GLY 66 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3gd6 s GLN 67 N -0.15 3.57 -0.35 1.61 -0.21 -0.51 -4.63 119.66 118.98 3gd6 s GLN 67 Ca 0.00 0.33 -0.23 0.00 0.02 0.00 0.00 55.36 55.49 3gd6 s GLN 67 Cb 0.00 -2.31 0.01 0.00 1.00 0.00 0.00 33.01 31.71 3gd6 s GLN 67 CO 0.00 -0.28 0.75 1.21 -2.12 0.00 0.00 175.29 174.85 3gd6 s ASN 68 N -4.08 6.54 0.57 5.90 3.04 -1.26 -0.87 114.94 124.78 3gd6 s ASN 68 Ca 0.49 0.36 0.31 0.00 0.04 0.00 0.00 52.86 54.06 3gd6 s ASN 68 Cb -0.10 -2.38 1.67 0.00 -1.54 0.00 0.00 41.25 38.89 3gd6 s ASN 68 CO 0.46 -0.67 1.92 1.55 -3.04 0.00 0.00 177.10 177.32 3gd6 h PRO 69 N 8.41 0.00 0.00 0.43 0.13 -1.96 -0.12 132.00 138.89 3gd6 h PRO 69 Ca -0.25 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.88 3gd6 h PRO 69 Cb 1.10 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.23 3gd6 h PRO 69 CO 0.89 0.00 0.00 1.19 -0.23 0.00 0.00 178.00 179.85 3gd6 n PHE 70 N -2.73 0.52 -1.69 1.56 3.72 -1.26 -3.97 117.46 113.60 3gd6 n PHE 70 Ca -0.02 0.16 -0.40 0.00 -0.05 0.00 0.00 57.45 57.14 3gd6 n PHE 70 Cb 0.24 -0.77 -0.01 0.00 -0.94 0.00 0.00 39.48 37.99 3gd6 n PHE 70 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 3gd6 n ASP 71 N -1.93 7.80 -0.27 4.37 8.00 -0.06 -4.70 116.55 129.76 3gd6 n ASP 71 Ca 0.05 -2.85 -0.04 0.00 0.71 0.00 0.00 54.79 52.65 3gd6 n ASP 71 Cb 0.34 -1.49 0.07 0.00 -0.02 0.00 0.00 41.12 40.02 3gd6 n ASP 71 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 3gd6 h LEU 72 N 6.78 0.86 -0.30 0.64 3.38 -1.83 -0.48 115.31 124.36 3gd6 h LEU 72 Ca 0.75 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 58.67 3gd6 h LEU 72 Cb 0.35 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 3gd6 h LEU 72 CO 1.67 0.62 0.07 0.24 0.09 0.00 0.00 178.44 181.12 3gd6 h MET 73 N 1.02 0.49 -0.08 1.13 2.86 -1.95 -0.15 114.93 118.24 3gd6 h MET 73 Ca 0.28 -0.12 -0.00 0.00 -2.06 0.00 0.00 59.70 57.80 3gd6 h MET 73 Cb -0.10 -0.06 -0.00 0.00 0.06 0.00 0.00 31.60 31.49 3gd6 h MET 73 CO -0.07 0.57 0.04 -0.22 1.06 0.00 0.00 176.91 178.29 3gd6 h LYS 74 N 0.32 0.11 -0.57 1.72 3.64 -1.90 -1.71 116.57 118.17 3gd6 h LYS 74 Ca 0.09 -0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.43 3gd6 h LYS 74 Cb 0.30 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 32.07 3gd6 h LYS 74 CO 0.00 0.13 0.22 0.82 -2.27 0.00 0.00 179.45 178.36 3gd6 h ILE 75 N 0.05 1.23 -0.17 2.00 2.04 -1.04 -2.02 117.51 119.60 3gd6 h ILE 75 Ca 0.03 -0.71 -0.06 0.00 1.00 0.00 0.00 64.86 65.12 3gd6 h ILE 75 Cb 0.06 0.62 -0.01 0.00 -0.74 0.00 0.00 36.82 36.74 3gd6 h ILE 75 CO -0.00 0.27 -0.14 0.78 0.00 0.00 0.00 178.15 179.06 3gd6 h ASN 76 N 0.79 0.26 -0.52 1.72 2.35 -0.90 0.11 115.58 119.39 3gd6 h ASN 76 Ca 0.19 -0.06 -0.12 0.00 -0.55 0.00 0.00 56.30 55.76 3gd6 h ASN 76 Cb 0.21 -0.07 -0.02 0.00 0.05 0.00 0.00 38.32 38.49 3gd6 h ASN 76 CO -0.01 0.43 -0.15 0.50 -1.65 0.00 0.00 177.43 176.54 3gd6 h LYS 77 N 0.26 1.02 -0.24 0.81 1.63 -0.93 -0.20 116.57 118.92 3gd6 h LYS 77 Ca 0.05 -0.40 -0.11 0.00 -0.85 0.00 0.00 60.65 59.34 3gd6 h LYS 77 Cb 0.41 -0.05 -0.01 0.00 -0.60 0.00 0.00 32.23 31.98 3gd6 h LYS 77 CO 0.02 1.09 -0.30 0.93 -3.45 0.00 0.00 179.45 177.74 3gd6 h GLU 78 N 0.90 0.48 -0.18 1.90 5.08 -0.63 0.32 114.58 122.45 3gd6 h GLU 78 Ca 0.13 -0.20 -0.04 0.00 -1.00 0.00 0.00 59.36 58.25 3gd6 h GLU 78 Cb 0.73 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.96 3gd6 h GLU 78 CO 0.06 0.73 -0.03 -0.07 -1.00 0.00 0.00 179.01 178.70 3gd6 h LEU 79 N 0.42 0.34 -1.05 1.33 3.38 -0.51 -2.37 115.31 116.85 3gd6 h LEU 79 Ca 0.05 -0.36 -0.02 0.00 0.09 0.00 0.00 57.88 57.65 3gd6 h LEU 79 Cb 0.74 -0.09 -0.04 0.00 0.09 0.00 0.00 40.66 41.36 3gd6 h LEU 79 CO 0.06 0.61 0.43 0.74 0.09 0.00 0.00 178.44 180.37 3gd6 h THR 80 N 0.06 1.23 -0.91 0.22 2.02 -0.88 0.24 112.91 114.89 3gd6 h THR 80 Ca 0.05 -0.57 0.03 0.00 0.77 0.00 0.00 66.41 66.69 3gd6 h THR 80 Cb 0.46 0.17 -0.05 0.00 -1.74 0.00 0.00 68.15 66.98 3gd6 h THR 80 CO 0.02 0.26 0.59 0.44 0.37 0.00 0.00 175.52 177.20 3gd6 h ASP 81 N 1.10 0.99 0.98 4.18 3.32 -0.75 -2.47 116.42 123.76 3gd6 h ASP 81 Ca 0.28 -0.01 -0.09 0.00 0.02 0.00 0.00 57.03 57.23 3gd6 h ASP 81 Cb 0.02 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.34 3gd6 h ASP 81 CO -0.05 0.68 -1.07 0.78 -1.72 0.00 0.00 179.24 177.86 3gd6 h ASN 82 N 1.15 0.00 -2.27 6.45 4.21 -0.89 -3.40 115.58 120.84 3gd6 h ASN 82 Ca 0.36 0.00 -0.59 0.00 1.21 0.00 0.00 56.30 57.29 3gd6 h ASN 82 Cb -0.00 0.00 -0.40 0.00 -1.12 0.00 0.00 38.32 36.80 3gd6 h ASN 82 CO -0.12 0.32 -0.83 0.49 -1.29 0.00 0.00 177.43 176.01 3gd6 n PHE 83 N -2.86 1.53 -1.48 1.19 3.72 0.80 -5.10 117.46 115.26 3gd6 n PHE 83 Ca -0.04 -3.85 -0.37 0.00 -0.05 0.00 0.00 57.45 53.14 3gd6 n PHE 83 Cb 0.70 -0.38 0.06 0.00 -0.94 0.00 0.00 39.48 38.92 3gd6 n PHE 83 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 176.76 174.41 3gd6 n PRO 84 N 1.46 0.62 -2.65 -1.08 -0.02 -0.95 -4.57 135.00 127.82 3gd6 n PRO 84 Ca 0.25 0.25 -0.36 0.00 -2.02 0.00 0.00 63.50 61.63 3gd6 n PRO 84 Cb 0.45 -2.01 -0.05 0.00 -0.02 0.00 0.00 33.50 31.88 3gd6 n PRO 84 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 3gd6 s GLU 85 N -2.71 4.24 -0.01 -0.52 2.02 -1.26 -4.90 118.70 115.55 3gd6 s GLU 85 Ca 0.72 1.38 0.02 0.00 0.02 0.00 0.00 54.97 57.11 3gd6 s GLU 85 Cb -0.40 -2.49 0.03 0.00 0.10 0.00 0.00 34.13 31.37 3gd6 s GLU 85 CO 0.51 -0.05 0.84 0.25 0.02 0.00 0.00 175.26 176.83 3gd6 n THR 86 N -0.12 0.66 -1.94 3.63 -2.24 -1.26 -4.99 114.28 108.01 3gd6 n THR 86 Ca 0.05 -0.70 -0.18 0.00 -2.27 0.00 0.00 64.05 60.95 3gd6 n THR 86 Cb 0.51 0.61 -0.05 0.00 -2.10 0.00 0.00 70.33 69.30 3gd6 n THR 86 CO 0.00 0.00 0.00 0.23 -0.57 0.00 0.00 175.07 174.73 3gd6 n MET 87 N -0.38 -1.62 -4.63 -0.78 2.81 -1.26 -4.96 117.12 106.31 3gd6 n MET 87 Ca 0.01 0.98 -0.33 0.00 -1.81 0.00 0.00 57.70 56.55 3gd6 n MET 87 Cb 0.40 -5.46 -0.16 0.00 -0.71 0.00 0.00 33.22 27.30 3gd6 n MET 87 CO 0.00 0.00 0.00 -0.47 1.51 0.00 0.00 175.97 177.01 3gd6 s TYR 88 N -2.71 2.75 0.23 2.03 5.04 -1.26 -4.91 117.35 118.52 3gd6 s TYR 88 Ca 0.00 -1.07 -0.14 0.00 -2.44 0.00 0.00 57.07 53.42 3gd6 s TYR 88 Cb 0.00 -1.86 0.28 0.00 0.35 0.00 0.00 41.96 40.73 3gd6 s TYR 88 CO 0.00 -0.48 1.59 -0.92 -1.34 0.00 0.00 175.55 174.40 3gd6 h TYR 89 N 7.22 -0.61 -1.39 4.97 5.03 -1.93 -2.75 116.97 127.52 3gd6 h TYR 89 Ca -0.31 0.08 -0.69 0.00 2.58 0.00 0.00 58.73 60.39 3gd6 h TYR 89 Cb 1.20 0.39 -0.31 0.00 1.55 0.00 0.00 36.73 39.55 3gd6 h TYR 89 CO 0.50 -0.36 0.59 0.66 -1.32 0.00 0.00 178.16 178.23 3gd6 n TYR 90 N -5.50 3.11 -2.06 -3.82 4.01 -1.26 -4.87 117.16 106.77 3gd6 n TYR 90 Ca 0.10 -2.69 -0.42 0.00 -0.16 0.00 0.00 57.90 54.72 3gd6 n TYR 90 Cb 0.39 -1.09 -0.03 0.00 -0.31 0.00 0.00 39.34 38.30 3gd6 n TYR 90 CO 0.00 0.00 0.00 -2.00 -0.46 0.00 0.00 176.86 174.40 3gd6 s GLU 91 N -3.86 4.21 0.51 -0.72 2.56 -1.04 -4.70 118.70 115.66 3gd6 s GLU 91 Ca 0.57 2.14 0.20 0.00 0.00 0.00 0.00 54.97 57.88 3gd6 s GLU 91 Cb 0.46 -3.78 1.34 0.00 2.00 0.00 0.00 34.13 34.15 3gd6 s GLU 91 CO -0.17 -0.74 2.11 0.87 -0.56 0.00 0.00 175.26 176.77 3gd6 h LYS 92 N 8.74 0.00 0.00 4.30 1.57 -1.93 -1.27 116.57 127.98 3gd6 h LYS 92 Ca -0.39 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.37 3gd6 h LYS 92 Cb 1.18 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.49 3gd6 h LYS 92 CO 0.94 0.07 -0.07 0.78 -0.57 0.00 0.00 179.45 180.60 3gd6 h GLY 93 N 0.29 0.00 0.88 3.86 0.00 -1.92 -1.77 103.07 104.41 3gd6 h GLY 93 Ca -0.00 0.00 -0.10 0.00 0.00 0.00 0.00 47.33 47.23 3gd6 h GLY 93 CO 0.01 0.00 -0.23 1.76 0.00 0.00 0.00 176.54 178.08 3gd6 h SER 94 N 0.00 0.60 -0.85 0.19 0.02 -1.51 -0.79 113.55 111.20 3gd6 h SER 94 Ca -0.00 -0.48 -0.03 0.00 -0.84 0.00 0.00 61.79 60.44 3gd6 h SER 94 Cb 0.14 -0.17 -0.04 0.00 0.14 0.00 0.00 62.40 62.47 3gd6 h SER 94 CO 0.01 0.96 0.41 -0.26 -1.14 0.00 0.00 176.83 176.81 3gd6 h PHE 95 N 0.26 1.23 0.14 3.45 0.04 -1.38 -0.10 116.94 120.57 3gd6 h PHE 95 Ca 0.04 -0.06 -0.01 0.00 2.80 0.00 0.00 57.97 60.74 3gd6 h PHE 95 Cb 0.79 -0.38 0.00 0.00 2.20 0.00 0.00 35.95 38.56 3gd6 h PHE 95 CO 0.08 0.89 -0.07 0.82 -0.60 0.00 0.00 178.31 179.43 3gd6 h ILE 96 N 1.22 0.95 -0.75 -0.55 2.04 -1.24 -1.92 117.51 117.26 3gd6 h ILE 96 Ca 0.29 -0.34 -0.01 0.00 1.00 0.00 0.00 64.86 65.80 3gd6 h ILE 96 Cb 0.12 1.16 -0.04 0.00 -0.74 0.00 0.00 36.82 37.32 3gd6 h ILE 96 CO -0.04 0.08 0.44 0.03 0.00 0.00 0.00 178.15 178.66 3gd6 h ARG 97 N -0.35 1.02 -0.22 2.37 3.08 -0.94 -2.81 114.38 116.53 3gd6 h ARG 97 Ca -0.02 -0.10 0.01 0.00 0.07 0.00 0.00 59.98 59.95 3gd6 h ARG 97 Cb 0.28 -0.21 -0.02 0.00 0.08 0.00 0.00 29.97 30.10 3gd6 h ARG 97 CO 0.03 0.73 0.12 -0.97 -1.07 0.00 0.00 179.97 178.81 3gd6 h ASN 98 N 1.03 0.19 -0.80 7.04 -1.24 -0.78 -0.17 115.58 120.85 3gd6 h ASN 98 Ca 0.27 0.00 -0.01 0.00 0.71 0.00 0.00 56.30 57.28 3gd6 h ASN 98 Cb -0.02 -0.03 -0.04 0.00 0.73 0.00 0.00 38.32 38.96 3gd6 h ASN 98 CO -0.05 0.14 0.48 1.23 -1.29 0.00 0.00 177.43 177.94 3gd6 h GLY 99 N 0.25 1.18 0.42 1.57 0.00 -1.11 -0.72 103.07 104.66 3gd6 h GLY 99 Ca 0.09 -0.49 -0.00 0.00 0.00 0.00 0.00 47.33 46.92 3gd6 h GLY 99 CO -0.05 0.48 -0.02 -2.22 0.00 0.00 0.00 176.54 174.73 3gd6 h ILE 100 N 1.12 1.32 -0.81 2.60 1.08 -1.26 -2.38 117.51 119.17 3gd6 h ILE 100 Ca 0.29 -1.29 -0.01 0.00 -0.39 0.00 0.00 64.86 63.47 3gd6 h ILE 100 Cb -0.04 2.16 -0.04 0.00 -3.07 0.00 0.00 36.82 35.84 3gd6 h ILE 100 CO -0.05 0.32 0.47 -0.78 -0.69 0.00 0.00 178.15 177.42 3gd6 h ASP 101 N -0.63 0.98 -0.02 1.72 3.58 -0.95 -1.11 116.42 119.99 3gd6 h ASP 101 Ca -0.01 -0.06 -0.12 0.00 0.42 0.00 0.00 57.03 57.26 3gd6 h ASP 101 Cb 0.57 -0.25 -0.01 0.00 1.72 0.00 0.00 39.33 41.36 3gd6 h ASP 101 CO 0.01 0.76 -0.38 0.78 -2.88 0.00 0.00 179.24 177.54 3gd6 h ASN 102 N 1.12 0.54 0.10 2.28 2.35 -1.19 -1.84 115.58 118.95 3gd6 h ASN 102 Ca 0.29 -0.23 -0.10 0.00 -0.55 0.00 0.00 56.30 55.71 3gd6 h ASN 102 Cb -0.02 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 38.18 3gd6 h ASN 102 CO -0.05 0.87 -0.35 0.00 -1.65 0.00 0.00 177.43 176.25 3gd6 h ALA 103 N 1.16 1.09 -0.37 -0.83 0.00 -0.94 -1.91 119.26 117.46 3gd6 h ALA 103 Ca 0.04 -0.38 -0.11 0.00 0.00 0.00 0.00 54.91 54.46 3gd6 h ALA 103 Cb 0.85 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 3gd6 h ALA 103 CO 0.07 0.58 -0.22 -0.07 0.00 0.00 0.00 179.25 179.60 3gd6 h LEU 104 N 0.31 0.74 -0.16 0.00 3.38 -0.82 -0.41 115.31 118.35 3gd6 h LEU 104 Ca 0.04 -0.26 -0.01 0.00 0.09 0.00 0.00 57.88 57.73 3gd6 h LEU 104 Cb 0.76 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.30 3gd6 h LEU 104 CO 0.06 0.95 0.06 0.45 0.09 0.00 0.00 178.44 180.04 3gd6 h HIS 105 N 0.64 0.25 -0.67 1.13 3.86 -0.95 0.08 115.15 119.49 3gd6 h HIS 105 Ca 0.09 -0.02 0.05 0.00 -1.16 0.00 0.00 60.37 59.33 3gd6 h HIS 105 Cb 0.72 -0.07 -0.05 0.00 1.06 0.00 0.00 27.41 29.07 3gd6 h HIS 105 CO 0.04 0.34 0.39 0.22 0.86 0.00 0.00 177.93 179.78 3gd6 h ASP 106 N 0.09 0.60 0.23 2.45 3.58 -1.14 -0.89 116.42 121.33 3gd6 h ASP 106 Ca 0.05 0.02 -0.01 0.00 0.42 0.00 0.00 57.03 57.51 3gd6 h ASP 106 Cb 0.20 -0.10 0.00 0.00 1.72 0.00 0.00 39.33 41.15 3gd6 h ASP 106 CO -0.00 0.40 -0.11 0.25 -2.88 0.00 0.00 179.24 176.90 3gd6 h LEU 107 N 0.74 -0.26 -0.68 2.28 6.46 -0.80 -0.77 115.31 122.27 3gd6 h LEU 107 Ca 0.29 -0.08 0.02 0.00 -0.12 0.00 0.00 57.88 57.99 3gd6 h LEU 107 Cb 0.13 0.07 -0.04 0.00 -0.73 0.00 0.00 40.66 40.09 3gd6 h LEU 107 CO -0.16 -0.09 0.44 0.00 -0.62 0.00 0.00 178.44 178.02 3gd6 h ALA 109 N 1.27 0.34 -0.69 0.00 0.00 -1.07 -2.11 119.26 116.99 3gd6 h ALA 109 Ca 0.26 -0.13 0.06 0.00 0.00 0.00 0.00 54.91 55.10 3gd6 h ALA 109 Cb -0.06 -0.10 -0.06 0.00 0.00 0.00 0.00 17.79 17.58 3gd6 h ALA 109 CO -0.07 -0.05 0.39 0.87 0.00 0.00 0.00 179.25 180.39 3gd6 h LYS 110 N 0.26 0.70 -0.98 0.00 1.57 -0.89 -1.11 116.57 116.11 3gd6 h LYS 110 Ca 0.08 -0.04 0.03 0.00 -1.87 0.00 0.00 60.65 58.85 3gd6 h LYS 110 Cb 0.22 -0.16 -0.06 0.00 0.08 0.00 0.00 32.23 32.31 3gd6 h LYS 110 CO -0.00 0.46 0.64 -0.92 -0.57 0.00 0.00 179.45 179.06 3gd6 h TYR 111 N 0.72 1.20 -0.03 -1.35 3.20 -0.96 -2.12 116.97 117.63 3gd6 h TYR 111 Ca 0.31 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.21 3gd6 h TYR 111 Cb 0.18 -0.40 0.00 0.00 1.54 0.00 0.00 36.73 38.05 3gd6 h TYR 111 CO -0.07 0.70 0.00 1.28 -1.64 0.00 0.00 178.16 178.43 3gd6 n LEU 112 N -4.46 1.23 -3.45 2.82 4.77 -0.82 -4.94 117.00 112.15 3gd6 n LEU 112 Ca 0.13 -0.43 -0.21 0.00 -0.03 0.00 0.00 56.01 55.47 3gd6 n LEU 112 Cb 0.08 -0.01 0.08 0.00 -2.33 0.00 0.00 43.42 41.24 3gd6 n LEU 112 CO 0.35 0.21 0.20 -0.67 -1.33 0.00 0.00 177.39 176.15 3gd6 n ASP 113 N -0.03 -5.02 -4.19 -1.43 2.03 -0.50 -5.02 116.55 102.40 3gd6 n ASP 113 Ca 0.19 -0.54 -0.11 0.00 0.52 0.00 0.00 54.79 54.85 3gd6 n ASP 113 Cb 0.30 -4.91 -0.10 0.00 -0.72 0.00 0.00 41.12 35.69 3gd6 n ASP 113 CO 0.00 0.00 0.00 0.27 -1.92 0.00 0.00 177.20 175.55 3gd6 s ILE 114 N -3.32 0.66 0.55 5.18 -4.36 -0.76 -4.82 121.20 114.34 3gd6 s ILE 114 Ca 0.40 -1.94 -0.17 0.00 -0.26 0.00 0.00 60.65 58.68 3gd6 s ILE 114 Cb -0.18 -1.80 -0.06 0.00 1.25 0.00 0.00 42.46 41.67 3gd6 s ILE 114 CO 0.71 -0.76 1.04 -0.55 0.24 0.00 0.00 174.94 175.61 3gd6 s SER 115 N -3.07 6.09 0.53 4.36 0.15 -1.26 -0.83 113.70 119.67 3gd6 s SER 115 Ca 0.15 1.80 0.23 0.00 0.70 0.00 0.00 55.95 58.83 3gd6 s SER 115 Cb 0.06 -2.54 1.36 0.00 -1.71 0.00 0.00 66.02 63.19 3gd6 s SER 115 CO -0.02 -0.96 2.03 0.58 1.20 0.00 0.00 173.24 176.07 3gd6 h VAL 116 N 0.83 0.79 -0.29 4.45 2.07 -1.35 -1.70 116.25 121.07 3gd6 h VAL 116 Ca -0.48 -0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.11 3gd6 h VAL 116 Cb 1.21 0.78 -0.07 0.00 -1.52 0.00 0.00 31.29 31.70 3gd6 h VAL 116 CO 0.59 0.00 -0.16 0.28 0.02 0.00 0.00 177.57 178.30 3gd6 h SER 117 N 0.01 -0.52 0.48 0.57 0.02 -1.90 -0.08 113.55 112.14 3gd6 h SER 117 Ca 0.20 0.12 0.00 0.00 -0.84 0.00 0.00 61.79 61.27 3gd6 h SER 117 Cb 0.79 0.28 0.00 0.00 0.14 0.00 0.00 62.40 63.61 3gd6 h SER 117 CO -0.00 -0.19 0.00 0.47 -1.14 0.00 0.00 176.83 175.96 3gd6 n ASP 118 N -5.33 0.10 -0.06 3.07 8.00 -0.65 -0.96 116.55 120.74 3gd6 n ASP 118 Ca 0.00 0.53 0.11 0.00 0.71 0.00 0.00 54.79 56.14 3gd6 n ASP 118 Cb 0.24 -0.55 0.13 0.00 -0.02 0.00 0.00 41.12 40.92 3gd6 n ASP 118 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 3gd6 n PHE 119 N -1.62 0.00 -0.38 1.24 -0.00 -0.10 -4.02 117.46 112.59 3gd6 n PHE 119 Ca 0.03 0.00 0.07 0.00 -0.00 0.00 0.00 57.45 57.54 3gd6 n PHE 119 Cb 0.16 -0.14 0.19 0.00 -0.00 0.00 0.00 39.48 39.69 3gd6 n PHE 119 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.76 178.04 3gd6 n LEU 120 N -1.32 3.24 0.00 -2.13 4.77 -0.13 -4.94 117.00 116.49 3gd6 n LEU 120 Ca 0.06 -2.24 0.00 0.00 -0.03 0.00 0.00 56.01 53.80 3gd6 n LEU 120 Cb 0.34 -0.32 0.00 0.00 -2.33 0.00 0.00 43.42 41.11 3gd6 n LEU 120 CO 0.36 0.73 0.00 0.61 -1.33 0.00 0.00 177.39 177.76 3gd6 n GLY 121 N 0.36 1.06 5.48 -0.72 0.00 -1.16 -4.91 105.19 105.31 3gd6 n GLY 121 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 3gd6 n GLY 121 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gd6 n GLY 122 N -1.54 -1.59 3.53 -0.02 0.00 -0.56 -4.92 105.19 100.09 3gd6 n GLY 122 Ca 0.00 -1.46 -0.33 0.00 0.00 0.00 0.00 46.02 44.22 3gd6 n GLY 122 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3gd6 s ARG 123 N 0.00 2.69 -0.07 1.61 1.81 -1.26 -4.09 118.95 119.64 3gd6 s ARG 123 Ca 0.00 -0.61 0.10 0.00 -1.72 0.00 0.00 55.73 53.50 3gd6 s ARG 123 Cb 0.00 -2.51 -0.15 0.00 -0.45 0.00 0.00 34.95 31.84 3gd6 s ARG 123 CO 0.00 0.63 0.12 0.28 -0.68 0.00 0.00 175.30 175.65 3gd6 n VAL 124 N 2.32 0.42 -3.79 3.52 0.31 0.16 -4.98 118.33 116.29 3gd6 n VAL 124 Ca -0.18 -0.36 -0.08 0.00 -0.01 0.00 0.00 64.34 63.71 3gd6 n VAL 124 Cb 0.53 -0.32 -0.02 0.00 -0.91 0.00 0.00 33.84 33.11 3gd6 n VAL 124 CO 0.00 0.00 0.00 -1.59 -1.32 0.00 0.00 176.83 173.92 3gd6 s LYS 125 N -2.47 1.65 0.00 5.55 -2.85 -1.16 -5.07 119.74 115.40 3gd6 s LYS 125 Ca -0.05 -0.92 0.21 0.00 -1.00 0.00 0.00 55.97 54.22 3gd6 s LYS 125 Cb 0.05 0.59 -0.08 0.00 -2.06 0.00 0.00 37.83 36.33 3gd6 s LYS 125 CO 0.44 -0.74 0.99 -0.85 0.10 0.00 0.00 175.35 175.29 3gd6 n GLU 126 N -0.43 0.98 -3.54 1.78 0.00 -1.26 -4.72 120.64 113.45 3gd6 n GLU 126 Ca -0.06 -0.66 -0.12 0.00 0.00 0.00 0.00 57.16 56.31 3gd6 n GLU 126 Cb 0.60 -1.45 -0.04 0.00 0.00 0.00 0.00 31.44 30.56 3gd6 n GLU 126 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.13 175.54 3gd6 s LYS 127 N -2.56 1.13 -0.03 3.44 -2.85 -1.26 -1.80 119.74 115.81 3gd6 s LYS 127 Ca 0.14 -0.43 0.04 0.00 -1.00 0.00 0.00 55.97 54.73 3gd6 s LYS 127 Cb 0.17 0.51 -0.01 0.00 -2.06 0.00 0.00 37.83 36.44 3gd6 s LYS 127 CO 0.64 -0.45 -0.16 0.96 0.10 0.00 0.00 175.35 176.44 3gd6 s ILE 128 N -3.23 1.28 0.15 3.79 -4.36 -0.26 -4.93 121.20 113.64 3gd6 s ILE 128 Ca -0.01 -0.66 -0.31 0.00 -0.26 0.00 0.00 60.65 59.41 3gd6 s ILE 128 Cb -0.00 -1.09 -0.09 0.00 1.25 0.00 0.00 42.46 42.54 3gd6 s ILE 128 CO -0.08 0.37 1.40 -0.75 0.24 0.00 0.00 174.94 176.12 3gd6 s LYS 129 N -0.15 4.31 0.40 0.37 2.47 -1.26 -0.72 119.74 125.16 3gd6 s LYS 129 Ca 0.01 2.13 0.04 0.00 -1.56 0.00 0.00 55.97 56.60 3gd6 s LYS 129 Cb -0.09 -3.21 -0.05 0.00 -1.46 0.00 0.00 37.83 33.02 3gd6 s LYS 129 CO 0.01 -0.42 0.04 0.14 0.16 0.00 0.00 175.35 175.27 3gd6 s VAL 130 N 0.81 1.35 0.16 4.02 -7.23 -0.00 -0.65 120.40 118.86 3gd6 s VAL 130 Ca 0.63 -2.00 0.06 0.00 -1.81 0.00 0.00 61.98 58.87 3gd6 s VAL 130 Cb -0.38 -2.66 -0.04 0.00 0.56 0.00 0.00 36.38 33.86 3gd6 s VAL 130 CO 0.33 0.00 -0.13 0.00 -0.31 0.00 0.00 175.10 174.99 3gd6 s TYR 132 N -2.81 3.58 0.33 0.00 6.14 0.13 -4.77 117.35 119.96 3gd6 s TYR 132 Ca 0.17 0.53 -0.26 0.00 0.64 0.00 0.00 57.07 58.15 3gd6 s TYR 132 Cb -0.01 -1.99 -0.09 0.00 0.42 0.00 0.00 41.96 40.29 3gd6 s TYR 132 CO 0.04 0.68 1.00 -1.25 0.64 0.00 0.00 175.55 176.66 3gd6 s PRO 133 N -0.87 4.50 -0.30 4.97 0.04 -1.26 -1.30 135.00 140.78 3gd6 s PRO 133 Ca 0.15 1.48 0.01 0.00 0.04 0.00 0.00 61.00 62.68 3gd6 s PRO 133 Cb -0.12 -2.84 0.09 0.00 0.04 0.00 0.00 34.50 31.67 3gd6 s PRO 133 CO 0.04 0.17 0.06 0.42 0.04 0.00 0.00 177.00 177.72 3gd6 s ILE 134 N -1.50 1.44 0.41 0.56 1.01 -0.49 -4.90 121.20 117.72 3gd6 s ILE 134 Ca 0.50 -1.67 -0.25 0.00 0.00 0.00 0.00 60.65 59.24 3gd6 s ILE 134 Cb -0.23 -2.01 -0.08 0.00 0.01 0.00 0.00 42.46 40.15 3gd6 s ILE 134 CO 0.29 -0.55 1.22 -0.36 0.00 0.00 0.00 174.94 175.54 3gd6 s PHE 135 N 1.35 2.96 0.07 3.97 0.40 -1.26 -1.68 117.98 123.79 3gd6 s PHE 135 Ca 0.07 1.50 -0.37 0.00 -0.60 0.00 0.00 56.93 57.54 3gd6 s PHE 135 Cb -0.18 -3.49 -0.18 0.00 0.51 0.00 0.00 43.02 39.67 3gd6 s PHE 135 CO -0.16 -1.62 1.09 2.89 0.70 0.00 0.00 175.22 178.12 3gd6 n ARG 136 N 0.04 0.48 -2.95 0.44 1.85 -1.12 -4.81 116.66 110.59 3gd6 n ARG 136 Ca 0.04 0.17 -0.40 0.00 -1.00 0.00 0.00 57.85 56.67 3gd6 n ARG 136 Cb 0.46 -1.65 -0.05 0.00 -1.05 0.00 0.00 32.46 30.17 3gd6 n ARG 136 CO 0.00 0.00 0.00 -1.01 -0.01 0.00 0.00 177.63 176.61 3gd6 s HIS 137 N -0.04 3.71 -0.10 2.89 3.76 -1.26 -4.93 115.29 119.32 3gd6 s HIS 137 Ca 0.83 1.48 0.16 0.00 -0.15 0.00 0.00 55.06 57.38 3gd6 s HIS 137 Cb -1.08 -2.86 -0.23 0.00 1.11 0.00 0.00 32.58 29.52 3gd6 s HIS 137 CO 0.54 0.22 0.20 0.54 -0.85 0.00 0.00 174.74 175.38 3gd6 n ARG 138 N 3.03 0.99 -4.19 1.40 1.74 -1.26 -3.29 116.66 115.08 3gd6 n ARG 138 Ca -0.01 -0.07 -0.16 0.00 -0.77 0.00 0.00 57.85 56.84 3gd6 n ARG 138 Cb 0.50 -1.42 -0.11 0.00 -1.02 0.00 0.00 32.46 30.41 3gd6 n ARG 138 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 3gd6 s PHE 139 N -2.75 1.16 -1.53 -1.55 0.40 -1.26 -4.67 117.98 107.79 3gd6 s PHE 139 Ca -0.07 -0.61 0.22 0.00 -0.60 0.00 0.00 56.93 55.87 3gd6 s PHE 139 Cb 0.08 -0.63 1.16 0.00 0.51 0.00 0.00 43.02 44.14 3gd6 s PHE 139 CO 0.70 0.05 1.72 0.43 0.70 0.00 0.00 175.22 178.82 3gd6 n SER 140 N 0.63 0.00 0.08 1.36 7.64 -1.26 -2.84 113.62 119.23 3gd6 n SER 140 Ca -0.16 -0.15 -0.07 0.00 1.01 0.00 0.00 58.87 59.50 3gd6 n SER 140 Cb 0.57 -0.24 -0.04 0.00 -1.01 0.00 0.00 64.21 63.50 3gd6 n SER 140 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 3gd6 h GLU 141 N 0.00 0.08 0.00 1.43 5.08 -1.99 -3.18 114.58 116.00 3gd6 h GLU 141 Ca 0.00 -0.11 0.00 0.00 -1.00 0.00 0.00 59.36 58.25 3gd6 h GLU 141 Cb 0.17 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.46 3gd6 h GLU 141 CO 0.00 0.94 0.00 0.39 -1.00 0.00 0.00 179.01 179.34 3gd6 n GLU 142 N -3.54 0.09 0.05 2.33 1.02 -1.13 -3.69 120.64 115.77 3gd6 n GLU 142 Ca -0.02 0.26 -0.11 0.00 -0.02 0.00 0.00 57.16 57.27 3gd6 n GLU 142 Cb 0.85 -1.65 -0.04 0.00 -0.02 0.00 0.00 31.44 30.58 3gd6 n GLU 142 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 3gd6 h VAL 143 N 0.00 0.45 -0.62 2.62 2.07 -1.73 -1.99 116.25 117.05 3gd6 h VAL 143 Ca 0.00 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.63 3gd6 h VAL 143 Cb 0.38 0.45 -0.09 0.00 -1.52 0.00 0.00 31.29 30.51 3gd6 h VAL 143 CO 0.00 0.00 0.15 -0.08 0.02 0.00 0.00 177.57 177.66 3gd6 h GLU 144 N -0.36 0.28 -0.96 1.57 4.57 -1.81 0.97 114.58 118.84 3gd6 h GLU 144 Ca 0.07 -0.02 0.02 0.00 -1.18 0.00 0.00 59.36 58.25 3gd6 h GLU 144 Cb 0.45 -0.06 -0.05 0.00 -0.16 0.00 0.00 28.75 28.93 3gd6 h GLU 144 CO -0.23 0.19 0.64 1.03 -1.18 0.00 0.00 179.01 179.45 3gd6 h SER 145 N 0.29 1.09 0.31 1.04 0.87 -1.68 -1.92 113.55 113.55 3gd6 h SER 145 Ca 0.32 -0.02 -0.12 0.00 -1.23 0.00 0.00 61.79 60.73 3gd6 h SER 145 Cb 0.47 -0.27 -0.01 0.00 -0.44 0.00 0.00 62.40 62.15 3gd6 h SER 145 CO -0.39 0.78 -0.50 0.78 -0.53 0.00 0.00 176.83 176.97 3gd6 h ASN 146 N 1.29 0.25 -0.37 6.23 -0.26 -0.44 -2.41 115.58 119.88 3gd6 h ASN 146 Ca 0.36 -0.12 -0.04 0.00 -0.56 0.00 0.00 56.30 55.94 3gd6 h ASN 146 Cb -0.12 -0.07 -0.02 0.00 -1.06 0.00 0.00 38.32 37.05 3gd6 h ASN 146 CO -0.09 0.71 0.10 -0.07 -1.06 0.00 0.00 177.43 177.02 3gd6 h LEU 147 N 0.18 0.61 -0.50 1.61 3.38 -0.12 -1.39 115.31 119.07 3gd6 h LEU 147 Ca 0.01 -0.10 -0.10 0.00 0.09 0.00 0.00 57.88 57.77 3gd6 h LEU 147 Cb 0.95 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.53 3gd6 h LEU 147 CO 0.08 0.62 -0.09 -0.78 0.09 0.00 0.00 178.44 178.35 3gd6 h ASP 148 N 0.64 0.95 -0.47 -0.43 -0.00 -1.00 -0.49 116.42 115.62 3gd6 h ASP 148 Ca 0.15 -0.35 0.04 0.00 -0.00 0.00 0.00 57.03 56.87 3gd6 h ASP 148 Cb 0.26 -0.26 -0.04 0.00 -0.00 0.00 0.00 39.33 39.29 3gd6 h ASP 148 CO -0.00 1.08 0.24 0.58 -0.00 0.00 0.00 179.24 181.13 3gd6 h VAL 149 N 0.81 0.96 -0.42 2.25 2.07 -0.88 0.78 116.25 121.83 3gd6 h VAL 149 Ca 0.13 -0.16 -0.01 0.00 0.82 0.00 0.00 66.70 67.48 3gd6 h VAL 149 Cb 0.65 0.45 -0.02 0.00 -1.52 0.00 0.00 31.29 30.85 3gd6 h VAL 149 CO 0.04 0.09 0.21 0.58 0.02 0.00 0.00 177.57 178.51 3gd6 h VAL 150 N 0.47 1.17 0.54 2.57 2.07 -1.06 0.21 116.25 122.22 3gd6 h VAL 150 Ca 0.21 -0.46 -0.02 0.00 0.82 0.00 0.00 66.70 67.25 3gd6 h VAL 150 Cb 0.11 0.71 -0.01 0.00 -1.52 0.00 0.00 31.29 30.58 3gd6 h VAL 150 CO -0.14 0.18 -0.41 -0.09 0.02 0.00 0.00 177.57 177.13 3gd6 h ARG 151 N 0.54 -0.89 -0.04 1.57 9.65 -0.06 0.86 114.38 126.01 3gd6 h ARG 151 Ca 0.14 0.06 0.03 0.00 -1.10 0.00 0.00 59.98 59.11 3gd6 h ARG 151 Cb 0.09 0.20 -0.03 0.00 -1.39 0.00 0.00 29.97 28.85 3gd6 h ARG 151 CO -0.02 -0.60 -0.13 0.37 2.80 0.00 0.00 179.97 182.40 3gd6 h GLN 152 N -0.93 -0.19 -0.27 0.20 4.15 0.70 -2.43 115.11 116.35 3gd6 h GLN 152 Ca -0.06 0.01 -0.10 0.00 0.77 0.00 0.00 58.65 59.28 3gd6 h GLN 152 Cb 0.78 0.04 -0.01 0.00 0.21 0.00 0.00 27.48 28.50 3gd6 h GLN 152 CO 0.01 -0.12 -0.25 0.87 -1.93 0.00 0.00 178.83 177.41 3gd6 h LYS 153 N -0.19 0.51 -0.63 1.69 1.79 -0.55 -2.44 116.57 116.75 3gd6 h LYS 153 Ca 0.06 -0.19 -0.03 0.00 -2.18 0.00 0.00 60.65 58.31 3gd6 h LYS 153 Cb 0.27 -0.03 -0.03 0.00 -1.58 0.00 0.00 32.23 30.86 3gd6 h LYS 153 CO -0.15 0.72 0.28 1.25 -1.08 0.00 0.00 179.45 180.47 3gd6 h LEU 154 N 0.45 0.82 -1.20 2.94 5.85 -0.63 -0.00 115.31 123.54 3gd6 h LEU 154 Ca 0.07 -0.09 -0.08 0.00 0.84 0.00 0.00 57.88 58.61 3gd6 h LEU 154 Cb 0.67 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.48 3gd6 h LEU 154 CO 0.05 0.71 -0.39 -0.08 -0.34 0.00 0.00 178.44 178.39 3gd6 h GLU 155 N 0.90 0.00 -0.02 1.25 4.81 -1.06 -2.37 114.58 118.08 3gd6 h GLU 155 Ca 0.22 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.45 3gd6 h GLU 155 Cb 0.12 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.50 3gd6 h GLU 155 CO -0.03 0.39 0.00 1.04 -0.73 0.00 0.00 179.01 179.69 3gd6 n GLN 156 N -3.97 1.31 0.00 1.92 6.02 -0.26 -4.90 117.38 117.49 3gd6 n GLN 156 Ca -0.02 -0.45 0.00 0.00 -0.01 0.00 0.00 57.00 56.52 3gd6 n GLN 156 Cb 0.44 -1.45 0.00 0.00 1.02 0.00 0.00 30.24 30.24 3gd6 n GLN 156 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3gd6 n GLY 157 N 1.05 1.61 3.49 1.08 0.00 -0.79 -4.58 105.19 107.05 3gd6 n GLY 157 Ca 0.20 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.80 3gd6 n GLY 157 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3gd6 s PHE 158 N -2.18 2.52 -2.26 1.61 0.40 -0.18 -1.76 117.98 116.13 3gd6 s PHE 158 Ca 0.00 -0.33 0.24 0.00 -0.60 0.00 0.00 56.93 56.24 3gd6 s PHE 158 Cb 0.00 -4.42 0.29 0.00 0.51 0.00 0.00 43.02 39.39 3gd6 s PHE 158 CO 0.00 -1.81 1.28 -0.40 0.70 0.00 0.00 175.22 174.99 3gd6 n ASP 159 N 8.37 2.02 -4.14 1.36 5.75 -1.26 -3.28 116.55 125.37 3gd6 n ASP 159 Ca -0.01 -1.51 -0.27 0.00 -0.01 0.00 0.00 54.79 52.99 3gd6 n ASP 159 Cb 0.47 0.25 -0.16 0.00 -1.03 0.00 0.00 41.12 40.65 3gd6 n ASP 159 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 3gd6 s VAL 160 N -2.32 1.52 0.20 2.12 1.01 -1.26 -0.23 120.40 121.44 3gd6 s VAL 160 Ca 0.24 -0.75 0.04 0.00 0.00 0.00 0.00 61.98 61.51 3gd6 s VAL 160 Cb 0.19 -1.32 -0.05 0.00 0.00 0.00 0.00 36.38 35.20 3gd6 s VAL 160 CO 0.47 0.44 -0.04 -0.36 0.00 0.00 0.00 175.10 175.61 3gd6 s PHE 161 N 0.19 1.46 -0.07 5.22 0.08 0.95 -0.70 117.98 125.11 3gd6 s PHE 161 Ca -0.08 -0.86 0.05 0.00 0.12 0.00 0.00 56.93 56.16 3gd6 s PHE 161 Cb -0.13 -0.81 -0.01 0.00 -0.57 0.00 0.00 43.02 41.50 3gd6 s PHE 161 CO 0.04 0.01 -0.24 -0.98 -0.10 0.00 0.00 175.22 173.94 3gd6 s ARG 162 N -3.82 2.69 -0.24 0.44 1.70 -0.42 -1.35 118.95 117.96 3gd6 s ARG 162 Ca 0.24 -0.88 -0.07 0.00 -0.47 0.00 0.00 55.73 54.55 3gd6 s ARG 162 Cb 0.04 -2.18 -0.03 0.00 -0.57 0.00 0.00 34.95 32.21 3gd6 s ARG 162 CO 0.06 0.31 0.05 -1.17 -1.08 0.00 0.00 175.30 173.47 3gd6 s LEU 163 N 0.02 3.40 -0.36 -1.89 2.96 -0.39 -1.39 118.68 121.02 3gd6 s LEU 163 Ca -0.09 -0.21 -0.27 0.00 -0.22 0.00 0.00 54.13 53.35 3gd6 s LEU 163 Cb -0.15 -1.90 0.02 0.00 0.50 0.00 0.00 46.19 44.65 3gd6 s LEU 163 CO 0.05 -0.01 0.96 -0.31 -1.32 0.00 0.00 176.35 175.72 3gd6 s TYR 164 N 1.49 3.08 0.00 5.38 2.02 -0.67 -0.37 117.35 128.28 3gd6 s TYR 164 Ca 0.06 0.86 0.00 0.00 -0.37 0.00 0.00 57.07 57.61 3gd6 s TYR 164 Cb -0.15 -3.69 0.00 0.00 -0.40 0.00 0.00 41.96 37.72 3gd6 s TYR 164 CO 0.03 -0.83 0.00 1.33 -1.57 0.00 0.00 175.55 174.51 3gd6 n VAL 165 N 5.99 0.00 0.00 0.71 0.24 -0.07 -2.78 118.33 122.42 3gd6 n VAL 165 Ca 0.08 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.38 3gd6 n VAL 165 Cb 0.48 -0.17 0.00 0.00 -1.47 0.00 0.00 33.84 32.67 3gd6 n VAL 165 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3gd6 n GLY 166 N 5.00 2.90 0.00 7.63 0.00 -1.26 -4.57 105.19 114.89 3gd6 n GLY 166 Ca 0.00 -0.90 0.00 0.00 0.00 0.00 0.00 46.02 45.12 3gd6 n GLY 166 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3gd6 n LYS 167 N 0.00 0.00 -3.68 1.61 4.76 -1.26 -4.62 118.16 114.97 3gd6 n LYS 167 Ca 0.00 0.20 -0.38 0.00 -2.87 0.00 0.00 58.31 55.27 3gd6 n LYS 167 Cb 0.00 -1.00 -0.09 0.00 -1.84 0.00 0.00 35.03 32.10 3gd6 n LYS 167 CO 0.00 0.00 0.00 1.21 -1.37 0.00 0.00 177.40 177.24 3gd6 s ASN 168 N -1.92 5.42 0.36 4.39 3.84 -1.21 -4.96 114.94 120.86 3gd6 s ASN 168 Ca 0.00 -2.64 0.05 0.00 0.21 0.00 0.00 52.86 50.47 3gd6 s ASN 168 Cb 0.00 -1.90 0.71 0.00 -0.55 0.00 0.00 41.25 39.52 3gd6 s ASN 168 CO 0.00 -0.44 1.98 -0.07 -2.79 0.00 0.00 177.10 175.78 3gd6 h LEU 169 N 7.37 0.67 -0.72 3.21 3.38 -1.91 -1.55 115.31 125.76 3gd6 h LEU 169 Ca -0.04 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.91 3gd6 h LEU 169 Cb 0.98 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 41.55 3gd6 h LEU 169 CO 0.73 0.46 0.37 0.44 0.09 0.00 0.00 178.44 180.52 3gd6 h ASP 170 N 0.78 0.92 -0.05 -0.43 3.32 -2.00 -1.88 116.42 117.08 3gd6 h ASP 170 Ca 0.27 -0.12 -0.06 0.00 0.02 0.00 0.00 57.03 57.15 3gd6 h ASP 170 Cb 0.12 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.42 3gd6 h ASP 170 CO -0.08 0.78 -0.13 0.00 -1.72 0.00 0.00 179.24 178.08 3gd6 h ALA 171 N 1.18 1.37 -0.35 3.45 0.00 -1.68 -2.23 119.26 121.00 3gd6 h ALA 171 Ca 0.25 -0.24 -0.15 0.00 0.00 0.00 0.00 54.91 54.76 3gd6 h ALA 171 Cb 0.08 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 3gd6 h ALA 171 CO -0.04 0.43 -0.39 -0.44 0.00 0.00 0.00 179.25 178.82 3gd6 h ASP 172 N 0.34 0.94 -0.50 0.00 3.32 -0.65 -1.83 116.42 118.03 3gd6 h ASP 172 Ca 0.07 -0.48 -0.13 0.00 0.02 0.00 0.00 57.03 56.51 3gd6 h ASP 172 Cb 0.45 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.72 3gd6 h ASP 172 CO 0.03 1.23 -0.20 -0.33 -1.72 0.00 0.00 179.24 178.25 3gd6 h GLU 173 N 0.67 1.01 -0.12 3.56 5.08 -1.22 -0.39 114.58 123.18 3gd6 h GLU 173 Ca 0.05 -0.42 0.02 0.00 -1.00 0.00 0.00 59.36 58.00 3gd6 h GLU 173 Cb 0.98 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 30.17 3gd6 h GLU 173 CO 0.09 1.11 0.01 1.49 -1.00 0.00 0.00 179.01 180.71 3gd6 h GLU 174 N 0.87 0.06 0.06 2.33 4.81 -1.36 0.55 114.58 121.91 3gd6 h GLU 174 Ca 0.12 -0.00 0.01 0.00 -0.13 0.00 0.00 59.36 59.35 3gd6 h GLU 174 Cb 0.78 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 30.13 3gd6 h GLU 174 CO 0.06 0.04 -0.13 0.35 -0.73 0.00 0.00 179.01 178.61 3gd6 h PHE 175 N 0.06 -0.32 -0.98 0.92 3.57 -1.16 0.26 116.94 119.28 3gd6 h PHE 175 Ca 0.06 0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.61 3gd6 h PHE 175 Cb 0.06 0.14 -0.06 0.00 2.79 0.00 0.00 35.95 38.87 3gd6 h PHE 175 CO -0.13 -0.19 0.64 -0.07 -2.23 0.00 0.00 178.31 176.33 3gd6 h LEU 176 N -0.25 1.04 -0.26 0.59 3.38 -0.69 0.21 115.31 119.34 3gd6 h LEU 176 Ca 0.02 -0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.94 3gd6 h LEU 176 Cb 0.27 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 3gd6 h LEU 176 CO -0.08 0.70 -0.03 -1.28 0.09 0.00 0.00 178.44 177.84 3gd6 h SER 177 N 1.20 0.47 -0.66 -0.43 0.87 0.67 -2.13 113.55 113.54 3gd6 h SER 177 Ca 0.40 -0.34 -0.03 0.00 -1.23 0.00 0.00 61.79 60.60 3gd6 h SER 177 Cb 0.07 -0.13 -0.03 0.00 -0.44 0.00 0.00 62.40 61.88 3gd6 h SER 177 CO -0.14 0.69 0.31 0.03 -0.53 0.00 0.00 176.83 177.19 3gd6 h ARG 178 N 0.23 0.95 -0.25 2.24 2.47 0.11 -2.31 114.38 117.82 3gd6 h ARG 178 Ca 0.07 -0.14 -0.11 0.00 -1.26 0.00 0.00 59.98 58.54 3gd6 h ARG 178 Cb 0.47 -0.17 -0.01 0.00 -1.65 0.00 0.00 29.97 28.61 3gd6 h ARG 178 CO 0.02 0.76 -0.30 -0.39 0.56 0.00 0.00 179.97 180.62 3gd6 h VAL 179 N 0.91 1.28 -0.36 2.04 -1.51 -0.95 -2.49 116.25 115.17 3gd6 h VAL 179 Ca 0.22 -1.37 -0.08 0.00 -1.23 0.00 0.00 66.70 64.25 3gd6 h VAL 179 Cb 0.13 1.41 -0.01 0.00 -2.13 0.00 0.00 31.29 30.69 3gd6 h VAL 179 CO -0.03 0.43 -0.08 0.50 -1.23 0.00 0.00 177.57 177.17 3gd6 h LYS 180 N 0.45 0.68 0.00 5.19 3.64 -1.14 -1.47 116.57 123.92 3gd6 h LYS 180 Ca 0.06 -0.26 0.00 0.00 -1.27 0.00 0.00 60.65 59.18 3gd6 h LYS 180 Cb 0.74 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.52 3gd6 h LYS 180 CO 0.06 0.84 0.00 1.05 -2.27 0.00 0.00 179.45 179.13 3gd6 h GLU 181 N 0.48 0.00 0.01 1.90 -0.00 -1.39 -0.51 114.58 115.07 3gd6 h GLU 181 Ca 0.09 0.00 -0.36 0.00 -0.00 0.00 0.00 59.36 59.09 3gd6 h GLU 181 Cb 0.58 0.00 -0.06 0.00 -0.00 0.00 0.00 28.75 29.27 3gd6 h GLU 181 CO 0.03 0.00 -2.28 -1.91 -0.00 0.00 0.00 179.01 174.85 3gd6 n GLU 182 N -2.78 0.68 -0.00 1.06 2.13 -0.94 -4.67 120.64 116.11 3gd6 n GLU 182 Ca 0.04 0.11 0.02 0.00 0.66 0.00 0.00 57.16 57.99 3gd6 n GLU 182 Cb 0.44 -1.58 -0.04 0.00 0.27 0.00 0.00 31.44 30.53 3gd6 n GLU 182 CO 0.00 0.00 0.00 1.19 -0.41 0.00 0.00 177.13 177.91 3gd6 n PHE 183 N -3.01 0.00 0.00 4.31 3.01 -0.56 -5.07 117.46 116.14 3gd6 n PHE 183 Ca -0.34 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.12 3gd6 n PHE 183 Cb 1.08 -0.13 0.00 0.00 -0.01 0.00 0.00 39.48 40.42 3gd6 n PHE 183 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3gd6 n GLY 184 N 2.22 3.68 0.00 1.37 0.00 -0.20 -1.15 105.19 111.11 3gd6 n GLY 184 Ca -0.01 -0.08 0.16 0.00 0.00 0.00 0.00 46.02 46.08 3gd6 n GLY 184 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3gd6 n SER 185 N 5.31 0.00 0.10 1.61 3.41 -1.26 -3.60 113.62 119.19 3gd6 n SER 185 Ca 0.00 -0.91 0.00 0.00 -0.26 0.00 0.00 58.87 57.70 3gd6 n SER 185 Cb 0.00 -0.03 0.30 0.00 -0.26 0.00 0.00 64.21 64.23 3gd6 n SER 185 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 3gd6 h ARG 186 N 0.00 0.24 -6.84 4.33 3.08 -1.53 -3.43 114.38 110.23 3gd6 h ARG 186 Ca 0.00 -0.08 -0.68 0.00 0.07 0.00 0.00 59.98 59.28 3gd6 h ARG 186 Cb 0.03 -0.02 -0.23 0.00 0.08 0.00 0.00 29.97 29.83 3gd6 h ARG 186 CO 0.00 0.50 -0.87 0.14 -1.07 0.00 0.00 179.97 178.67 3gd6 s VAL 187 N -4.44 2.21 -0.01 2.04 -7.23 -1.24 -4.82 120.40 106.92 3gd6 s VAL 187 Ca -0.05 -1.70 0.04 0.00 -1.81 0.00 0.00 61.98 58.46 3gd6 s VAL 187 Cb 0.14 -1.95 -0.01 0.00 0.56 0.00 0.00 36.38 35.13 3gd6 s VAL 187 CO 0.75 0.12 -0.12 -0.13 -0.31 0.00 0.00 175.10 175.41 3gd6 s ARG 188 N -1.94 1.01 -0.57 4.82 0.52 0.68 -4.83 118.95 118.65 3gd6 s ARG 188 Ca 0.13 -0.45 -0.01 0.00 -0.52 0.00 0.00 55.73 54.88 3gd6 s ARG 188 Cb -0.10 -0.98 0.15 0.00 0.52 0.00 0.00 34.95 34.54 3gd6 s ARG 188 CO 0.05 0.27 0.37 0.42 0.02 0.00 0.00 175.30 176.43 3gd6 s ILE 189 N -0.29 3.41 0.16 1.52 1.01 0.15 -0.03 121.20 127.13 3gd6 s ILE 189 Ca 0.05 -2.90 0.34 0.00 0.00 0.00 0.00 60.65 58.14 3gd6 s ILE 189 Cb -0.05 -3.27 0.37 0.00 0.01 0.00 0.00 42.46 39.52 3gd6 s ILE 189 CO -0.00 -0.83 2.03 0.07 0.00 0.00 0.00 174.94 176.21 3gd6 h LYS 190 N 7.07 0.00 -2.67 2.79 5.09 -1.34 -3.32 116.57 124.19 3gd6 h LYS 190 Ca -0.04 0.00 -0.09 0.00 0.09 0.00 0.00 60.65 60.61 3gd6 h LYS 190 Cb 0.95 0.00 -0.19 0.00 0.10 0.00 0.00 32.23 33.09 3gd6 h LYS 190 CO 0.70 0.00 -0.09 -1.54 -2.09 0.00 0.00 179.45 176.43 3gd6 s SER 191 N -5.10 -0.37 -0.31 7.07 1.04 -1.26 0.13 113.70 114.91 3gd6 s SER 191 Ca -0.01 0.29 -0.05 0.00 0.48 0.00 0.00 55.95 56.67 3gd6 s SER 191 Cb 0.10 0.40 0.04 0.00 0.10 0.00 0.00 66.02 66.66 3gd6 s SER 191 CO 0.44 -0.53 0.05 -0.31 0.98 0.00 0.00 173.24 173.87 3gd6 s TYR 192 N -1.42 3.22 -0.34 5.02 2.02 -1.16 -1.26 117.35 123.43 3gd6 s TYR 192 Ca -0.12 -1.49 -0.13 0.00 -0.37 0.00 0.00 57.07 54.96 3gd6 s TYR 192 Cb -0.03 -2.20 -0.02 0.00 -0.40 0.00 0.00 41.96 39.31 3gd6 s TYR 192 CO 0.05 -0.73 0.24 0.34 -1.57 0.00 0.00 175.55 173.89 3gd6 s ASP 193 N 1.37 6.05 0.01 2.29 -1.08 0.50 -1.22 116.67 124.59 3gd6 s ASP 193 Ca -0.02 -0.44 0.25 0.00 -0.52 0.00 0.00 52.55 51.83 3gd6 s ASP 193 Cb -0.19 -2.14 0.52 0.00 -1.46 0.00 0.00 42.92 39.65 3gd6 s ASP 193 CO 0.01 -0.24 1.42 0.49 0.52 0.00 0.00 175.17 177.37 3gd6 n PHE 194 N 5.10 0.06 -2.59 -5.34 3.72 -0.27 -0.89 117.46 117.25 3gd6 n PHE 194 Ca -0.13 0.02 -0.16 0.00 -0.05 0.00 0.00 57.45 57.13 3gd6 n PHE 194 Cb 0.50 -0.30 -0.00 0.00 -0.94 0.00 0.00 39.48 38.73 3gd6 n PHE 194 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 3gd6 n SER 195 N -1.57 -4.32 -1.05 4.37 7.64 -1.23 -1.51 113.62 115.94 3gd6 n SER 195 Ca 0.05 0.06 -0.14 0.00 1.01 0.00 0.00 58.87 59.85 3gd6 n SER 195 Cb 0.35 -3.63 -0.06 0.00 -1.01 0.00 0.00 64.21 59.86 3gd6 n SER 195 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 3gd6 n HIS 196 N -3.63 0.00 0.26 1.43 8.25 -0.54 -4.88 115.22 116.11 3gd6 n HIS 196 Ca -0.14 0.00 0.12 0.00 -0.26 0.00 0.00 57.72 57.44 3gd6 n HIS 196 Cb 0.61 -2.65 0.20 0.00 1.12 0.00 0.00 29.99 29.27 3gd6 n HIS 196 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 3gd6 h LEU 197 N 0.00 0.00 -8.92 2.41 3.38 -1.51 -3.38 115.31 107.29 3gd6 h LEU 197 Ca -0.28 0.00 -0.68 0.00 0.09 0.00 0.00 57.88 57.01 3gd6 h LEU 197 Cb 1.04 0.00 -0.22 0.00 0.09 0.00 0.00 40.66 41.57 3gd6 h LEU 197 CO 0.41 0.00 -0.86 -0.76 0.09 0.00 0.00 178.44 177.32 3gd6 s LEU 198 N -6.06 2.33 0.79 1.67 1.43 -1.26 -5.03 118.68 112.56 3gd6 s LEU 198 Ca 0.07 -0.76 -0.11 0.00 -1.03 0.00 0.00 54.13 52.30 3gd6 s LEU 198 Cb 0.06 -1.20 0.07 0.00 0.03 0.00 0.00 46.19 45.15 3gd6 s LEU 198 CO 0.66 0.17 1.09 0.54 0.23 0.00 0.00 176.35 179.04 3gd6 s ASN 199 N -2.13 4.35 0.36 2.29 2.20 -1.26 -3.48 114.94 117.26 3gd6 s ASN 199 Ca 0.15 1.72 0.05 0.00 -0.94 0.00 0.00 52.86 53.84 3gd6 s ASN 199 Cb -0.10 -2.43 0.71 0.00 -2.00 0.00 0.00 41.25 37.43 3gd6 s ASN 199 CO 0.06 -2.12 1.97 4.11 -2.94 0.00 0.00 177.10 178.18 3gd6 h TRP 200 N -1.19 0.78 -0.55 1.54 5.08 -1.91 -1.56 115.95 118.14 3gd6 h TRP 200 Ca -0.45 0.02 -0.11 0.00 1.08 0.00 0.00 58.89 59.43 3gd6 h TRP 200 Cb 1.24 -0.26 -0.02 0.00 -3.00 0.00 0.00 29.16 27.12 3gd6 h TRP 200 CO 0.55 0.43 -0.09 0.87 -1.28 0.00 0.00 178.44 178.92 3gd6 h LYS 201 N 0.78 1.02 -0.36 0.12 1.57 -1.91 0.56 116.57 118.35 3gd6 h LYS 201 Ca 0.30 -0.36 -0.11 0.00 -1.87 0.00 0.00 60.65 58.61 3gd6 h LYS 201 Cb 0.18 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.40 3gd6 h LYS 201 CO -0.09 1.05 -0.21 -0.44 -0.57 0.00 0.00 179.45 179.19 3gd6 h ASP 202 N 0.92 0.71 -0.60 0.86 3.32 -1.81 -2.24 116.42 117.58 3gd6 h ASP 202 Ca 0.15 -0.24 -0.09 0.00 0.02 0.00 0.00 57.03 56.86 3gd6 h ASP 202 Cb 0.65 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.98 3gd6 h ASP 202 CO 0.04 0.91 0.03 0.00 -1.72 0.00 0.00 179.24 178.51 3gd6 h ALA 203 N 1.15 0.89 -0.74 3.45 0.00 -0.96 -2.28 119.26 120.77 3gd6 h ALA 203 Ca 0.09 -0.30 0.04 0.00 0.00 0.00 0.00 54.91 54.75 3gd6 h ALA 203 Cb 0.69 -0.23 -0.05 0.00 0.00 0.00 0.00 17.79 18.20 3gd6 h ALA 203 CO 0.05 0.66 0.45 1.25 0.00 0.00 0.00 179.25 181.66 3gd6 h HIS 204 N 0.97 0.84 -0.36 0.00 -0.00 -0.46 0.39 115.15 116.53 3gd6 h HIS 204 Ca 0.18 0.02 -0.02 0.00 -0.00 0.00 0.00 60.37 60.56 3gd6 h HIS 204 Cb 0.51 -0.27 -0.02 0.00 -0.00 0.00 0.00 27.41 27.64 3gd6 h HIS 204 CO 0.04 0.45 0.16 0.00 -0.00 0.00 0.00 177.93 178.58 3gd6 h ARG 205 N 0.85 0.52 -0.42 5.26 3.08 -1.14 -1.26 114.38 121.28 3gd6 h ARG 205 Ca 0.31 -0.08 -0.04 0.00 0.07 0.00 0.00 59.98 60.24 3gd6 h ARG 205 Cb 0.09 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.03 3gd6 h ARG 205 CO -0.14 0.49 0.12 0.00 -1.07 0.00 0.00 179.97 179.36 3gd6 h ALA 206 N 1.01 0.55 -0.73 0.04 0.00 -0.84 -2.86 119.26 116.43 3gd6 h ALA 206 Ca 0.12 -0.18 0.05 0.00 0.00 0.00 0.00 54.91 54.90 3gd6 h ALA 206 Cb 0.14 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 17.72 3gd6 h ALA 206 CO -0.01 0.21 0.44 0.82 0.00 0.00 0.00 179.25 180.70 3gd6 h ILE 207 N 0.53 1.03 -0.71 0.00 2.04 -0.04 -0.16 117.51 120.20 3gd6 h ILE 207 Ca 0.13 -0.28 -0.02 0.00 1.00 0.00 0.00 64.86 65.70 3gd6 h ILE 207 Cb 0.28 0.14 -0.03 0.00 -0.74 0.00 0.00 36.82 36.47 3gd6 h ILE 207 CO -0.00 0.15 0.38 0.11 0.00 0.00 0.00 178.15 178.79 3gd6 h LYS 208 N 0.82 0.99 0.16 2.37 1.57 -1.02 -0.35 116.57 121.12 3gd6 h LYS 208 Ca 0.31 -0.11 -0.30 0.00 -1.87 0.00 0.00 60.65 58.69 3gd6 h LYS 208 Cb 0.12 -0.20 0.01 0.00 0.08 0.00 0.00 32.23 32.25 3gd6 h LYS 208 CO -0.15 0.73 -1.34 0.07 -0.57 0.00 0.00 179.45 178.19 3gd6 h ARG 209 N 1.00 0.35 -0.01 3.15 0.11 -1.22 -3.34 114.38 114.41 3gd6 h ARG 209 Ca 0.25 -0.59 -0.19 0.00 0.10 0.00 0.00 59.98 59.55 3gd6 h ARG 209 Cb 0.03 0.22 -0.01 0.00 1.11 0.00 0.00 29.97 31.32 3gd6 h ARG 209 CO -0.04 1.28 -0.83 -0.07 0.10 0.00 0.00 179.97 180.40 3gd6 h LEU 210 N 0.09 0.21 0.00 0.08 3.38 -0.93 -3.07 115.31 115.08 3gd6 h LEU 210 Ca -0.18 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 57.62 3gd6 h LEU 210 Cb 2.03 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 42.72 3gd6 h LEU 210 CO 0.22 0.95 0.00 0.35 0.09 0.00 0.00 178.44 180.05 3gd6 n THR 211 N -3.67 0.00 0.34 0.22 -2.24 -0.15 -1.24 114.28 107.54 3gd6 n THR 211 Ca -0.03 0.00 0.15 0.00 -2.27 0.00 0.00 64.05 61.90 3gd6 n THR 211 Cb 0.78 -0.56 0.58 0.00 -2.10 0.00 0.00 70.33 69.03 3gd6 n THR 211 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 3gd6 h LYS 212 N 0.00 0.00 -4.60 -0.78 1.79 -1.68 -3.36 116.57 107.95 3gd6 h LYS 212 Ca 0.00 0.00 -0.70 0.00 -2.18 0.00 0.00 60.65 57.77 3gd6 h LYS 212 Cb 0.00 0.00 -0.31 0.00 -1.58 0.00 0.00 32.23 30.34 3gd6 h LYS 212 CO 0.00 0.00 -0.59 0.71 -1.08 0.00 0.00 179.45 178.49 3gd6 s TYR 213 N -3.48 3.37 -0.87 -1.35 2.02 -0.37 -5.02 117.35 111.64 3gd6 s TYR 213 Ca 0.03 -1.86 -0.00 0.00 -0.37 0.00 0.00 57.07 54.87 3gd6 s TYR 213 Cb 0.09 -2.65 0.23 0.00 -0.40 0.00 0.00 41.96 39.23 3gd6 s TYR 213 CO 0.47 -0.84 0.82 -3.47 -1.57 0.00 0.00 175.55 170.96 3gd6 n ASP 214 N 4.72 4.26 -3.71 2.29 -0.08 -1.26 -4.89 116.55 117.88 3gd6 n ASP 214 Ca -0.09 -3.20 -0.41 0.00 -1.51 0.00 0.00 54.79 49.57 3gd6 n ASP 214 Cb 0.43 -1.01 0.00 0.00 2.34 0.00 0.00 41.12 42.89 3gd6 n ASP 214 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 3gd6 n LEU 215 N 2.02 7.23 -1.93 -2.67 4.77 -1.26 -4.46 117.00 120.71 3gd6 n LEU 215 Ca 0.23 -4.85 -0.13 0.00 -0.03 0.00 0.00 56.01 51.23 3gd6 n LEU 215 Cb 0.37 -1.39 0.03 0.00 -2.33 0.00 0.00 43.42 40.10 3gd6 n LEU 215 CO 0.39 1.72 0.04 0.61 -1.33 0.00 0.00 177.39 178.83 3gd6 n GLY 216 N 2.04 0.05 3.72 -0.72 0.00 -1.26 -0.68 105.19 108.35 3gd6 n GLY 216 Ca 0.48 -0.24 -0.42 0.00 0.00 0.00 0.00 46.02 45.84 3gd6 n GLY 216 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3gd6 s LEU 217 N -4.13 4.37 -0.12 0.99 2.96 -1.25 -3.98 118.68 117.53 3gd6 s LEU 217 Ca 0.22 2.59 0.05 0.00 -0.22 0.00 0.00 54.13 56.76 3gd6 s LEU 217 Cb -0.10 -3.60 -0.11 0.00 0.50 0.00 0.00 46.19 42.89 3gd6 s LEU 217 CO 0.27 -0.78 -0.05 -0.62 -1.32 0.00 0.00 176.35 173.85 3gd6 n GLU 218 N 3.66 1.17 -3.69 1.98 1.02 0.12 -4.99 120.64 119.92 3gd6 n GLU 218 Ca 0.12 0.04 -0.08 0.00 -0.02 0.00 0.00 57.16 57.22 3gd6 n GLU 218 Cb 0.39 -1.27 -0.02 0.00 -0.02 0.00 0.00 31.44 30.52 3gd6 n GLU 218 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3gd6 s MET 219 N -2.27 1.52 -0.22 3.49 0.23 -0.50 -4.05 119.30 117.50 3gd6 s MET 219 Ca -0.13 -0.75 -0.03 0.00 -1.03 0.00 0.00 55.69 53.75 3gd6 s MET 219 Cb 0.04 0.58 0.00 0.00 -1.53 0.00 0.00 34.83 33.92 3gd6 s MET 219 CO 0.37 -0.69 -0.06 0.42 -2.03 0.00 0.00 175.02 173.03 3gd6 s ILE 220 N -3.77 3.14 -0.13 3.16 -1.09 -0.40 -2.97 121.20 119.14 3gd6 s ILE 220 Ca 0.07 -0.65 -0.10 0.00 -2.23 0.00 0.00 60.65 57.75 3gd6 s ILE 220 Cb -0.04 -2.46 -0.05 0.00 -1.58 0.00 0.00 42.46 38.34 3gd6 s ILE 220 CO -0.01 0.38 0.20 -0.70 -1.23 0.00 0.00 174.94 173.58 3gd6 s GLU 221 N 1.43 3.81 -1.48 2.79 2.56 -0.36 -0.85 118.70 126.60 3gd6 s GLU 221 Ca 0.05 -0.04 -0.01 0.00 0.00 0.00 0.00 54.97 54.97 3gd6 s GLU 221 Cb -0.15 -3.28 0.01 0.00 2.00 0.00 0.00 34.13 32.71 3gd6 s GLU 221 CO -0.05 0.57 0.25 0.43 -0.56 0.00 0.00 175.26 175.90 3gd6 n SER 222 N 2.57 0.15 -0.32 -1.70 7.64 -0.14 -1.11 113.62 120.71 3gd6 n SER 222 Ca -0.17 -1.13 0.00 0.00 1.01 0.00 0.00 58.87 58.58 3gd6 n SER 222 Cb 0.53 -2.38 0.00 0.00 -1.01 0.00 0.00 64.21 61.35 3gd6 n SER 222 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 3gd6 n PRO 223 N -4.48 0.94 -3.87 1.43 -0.04 -1.26 -1.47 135.00 126.26 3gd6 n PRO 223 Ca -0.30 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.07 3gd6 n PRO 223 Cb 0.68 -1.30 -0.07 0.00 -0.04 0.00 0.00 33.50 32.77 3gd6 n PRO 223 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3gd6 s ALA 224 N -1.36 -0.20 0.90 0.55 0.00 -1.26 -4.18 121.76 116.21 3gd6 s ALA 224 Ca 0.00 -0.64 -0.11 0.00 0.00 0.00 0.00 51.96 51.21 3gd6 s ALA 224 Cb 0.00 0.51 0.11 0.00 0.00 0.00 0.00 23.12 23.75 3gd6 s ALA 224 CO 0.00 -0.52 0.99 -2.30 0.00 0.00 0.00 175.76 173.93 3gd6 n PRO 225 N -0.07 -0.31 -1.73 0.00 -0.02 -1.23 -4.20 135.00 127.45 3gd6 n PRO 225 Ca -0.14 -0.03 -0.42 0.00 -2.02 0.00 0.00 63.50 60.89 3gd6 n PRO 225 Cb 0.62 -2.26 -0.03 0.00 -0.02 0.00 0.00 33.50 31.81 3gd6 n PRO 225 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3gd6 n ARG 226 N -3.48 2.77 -1.21 -0.52 1.74 -1.26 -1.92 116.66 112.77 3gd6 n ARG 226 Ca 0.11 0.99 -0.07 0.00 -0.77 0.00 0.00 57.85 58.11 3gd6 n ARG 226 Cb 0.52 -2.83 -0.03 0.00 -1.02 0.00 0.00 32.46 29.10 3gd6 n ARG 226 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 3gd6 n ASN 227 N 3.46 -4.70 -4.19 0.55 3.02 -1.26 -4.92 115.26 107.21 3gd6 n ASN 227 Ca 0.14 0.18 -0.43 0.00 -0.03 0.00 0.00 54.58 54.44 3gd6 n ASN 227 Cb 0.35 -2.85 0.00 0.00 -0.61 0.00 0.00 39.78 36.68 3gd6 n ASN 227 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 3gd6 n ASP 228 N -0.33 5.03 -0.26 6.41 2.03 -0.81 -4.80 116.55 123.82 3gd6 n ASP 228 Ca -0.07 -3.01 -0.06 0.00 0.52 0.00 0.00 54.79 52.16 3gd6 n ASP 228 Cb 0.38 -1.56 0.05 0.00 -0.72 0.00 0.00 41.12 39.26 3gd6 n ASP 228 CO 0.00 0.00 0.00 -0.26 -1.92 0.00 0.00 177.20 175.02 3gd6 h PHE 229 N 6.56 1.07 -0.22 -0.67 0.04 -1.91 -1.52 116.94 120.29 3gd6 h PHE 229 Ca 0.38 -0.08 -0.09 0.00 2.80 0.00 0.00 57.97 60.99 3gd6 h PHE 229 Cb 0.76 -0.32 -0.01 0.00 2.20 0.00 0.00 35.95 38.57 3gd6 h PHE 229 CO 1.22 0.82 -0.24 -0.44 -0.60 0.00 0.00 178.31 179.07 3gd6 h ASP 230 N 1.01 0.41 -0.32 2.17 3.32 -1.99 -1.56 116.42 119.46 3gd6 h ASP 230 Ca 0.24 -0.13 -0.08 0.00 0.02 0.00 0.00 57.03 57.08 3gd6 h ASP 230 Cb 0.20 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.63 3gd6 h ASP 230 CO -0.02 0.65 -0.10 1.23 -1.72 0.00 0.00 179.24 179.28 3gd6 h GLY 231 N 1.00 0.69 1.00 2.75 0.00 -1.88 -1.52 103.07 105.12 3gd6 h GLY 231 Ca 0.06 -0.58 0.00 0.00 0.00 0.00 0.00 47.33 46.81 3gd6 h GLY 231 CO 0.04 0.53 0.42 1.41 0.00 0.00 0.00 176.54 178.95 3gd6 h LEU 232 N 0.41 0.76 -0.32 3.11 3.38 -1.06 -1.25 115.31 120.35 3gd6 h LEU 232 Ca 0.08 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.02 3gd6 h LEU 232 Cb 0.60 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.14 3gd6 h LEU 232 CO 0.04 0.57 0.21 0.22 0.09 0.00 0.00 178.44 179.56 3gd6 h TYR 233 N 0.89 0.39 -0.43 1.13 3.20 -1.11 0.36 116.97 121.42 3gd6 h TYR 233 Ca 0.24 0.01 -0.00 0.00 3.14 0.00 0.00 58.73 62.12 3gd6 h TYR 233 Cb -0.08 -0.13 -0.02 0.00 1.54 0.00 0.00 36.73 38.04 3gd6 h TYR 233 CO -0.02 0.25 0.26 1.96 -1.64 0.00 0.00 178.16 178.96 3gd6 h GLN 234 N 0.43 0.57 -0.43 1.82 1.08 -0.99 -2.07 115.11 115.51 3gd6 h GLN 234 Ca 0.12 -0.05 -0.06 0.00 -1.45 0.00 0.00 58.65 57.21 3gd6 h GLN 234 Cb -0.04 -0.12 -0.02 0.00 -0.05 0.00 0.00 27.48 27.25 3gd6 h GLN 234 CO -0.03 0.42 0.03 1.25 -0.95 0.00 0.00 178.83 179.55 3gd6 h LEU 235 N 0.56 0.64 -1.16 1.46 5.85 -0.87 -2.25 115.31 119.55 3gd6 h LEU 235 Ca 0.15 -0.13 -0.00 0.00 0.84 0.00 0.00 57.88 58.74 3gd6 h LEU 235 Cb -0.01 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 40.81 3gd6 h LEU 235 CO -0.03 0.70 0.49 -0.09 -0.34 0.00 0.00 178.44 179.17 3gd6 h ARG 236 N 0.65 1.06 0.00 1.25 2.43 0.37 -0.19 114.38 119.96 3gd6 h ARG 236 Ca 0.14 -0.08 -0.12 0.00 -0.81 0.00 0.00 59.98 59.11 3gd6 h ARG 236 Cb 0.36 -0.23 -0.02 0.00 -0.42 0.00 0.00 29.97 29.67 3gd6 h ARG 236 CO 0.01 0.73 -0.56 -0.07 -1.51 0.00 0.00 179.97 178.57 3gd6 h LEU 237 N 1.08 0.00 -0.81 3.80 3.38 -0.93 -3.26 115.31 118.58 3gd6 h LEU 237 Ca 0.29 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.26 3gd6 h LEU 237 Cb -0.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.68 3gd6 h LEU 237 CO -0.06 0.56 -0.37 0.29 0.09 0.00 0.00 178.44 178.95 3gd6 n LYS 238 N -3.42 1.08 -4.15 1.13 5.02 -0.89 -4.87 118.16 112.05 3gd6 n LYS 238 Ca 0.00 -0.81 -0.34 0.00 -2.02 0.00 0.00 58.31 55.14 3gd6 n LYS 238 Cb 0.68 -1.48 -0.14 0.00 -0.02 0.00 0.00 35.03 34.07 3gd6 n LYS 238 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 3gd6 s THR 239 N -2.47 3.37 0.25 -0.18 2.01 -0.13 -5.00 115.64 113.50 3gd6 s THR 239 Ca 0.21 -0.51 -0.04 0.00 0.31 0.00 0.00 61.69 61.66 3gd6 s THR 239 Cb 0.19 -2.50 0.17 0.00 0.01 0.00 0.00 72.50 70.36 3gd6 s THR 239 CO 0.54 0.45 1.82 0.44 -0.69 0.00 0.00 174.62 177.19 3gd6 h ASP 240 N 7.63 0.95 -4.24 3.53 3.45 -1.89 -3.44 116.42 122.40 3gd6 h ASP 240 Ca -0.37 -0.14 -0.49 0.00 0.43 0.00 0.00 57.03 56.46 3gd6 h ASP 240 Cb 1.18 -0.25 0.04 0.00 -0.56 0.00 0.00 39.33 39.74 3gd6 h ASP 240 CO 0.60 0.85 0.38 -0.31 -1.57 0.00 0.00 179.24 179.19 3gd6 s TYR 241 N -5.46 3.36 0.42 4.55 2.02 -1.26 -5.01 117.35 115.97 3gd6 s TYR 241 Ca -0.11 1.43 -0.26 0.00 -0.37 0.00 0.00 57.07 57.76 3gd6 s TYR 241 Cb 0.16 -2.83 -0.09 0.00 -0.40 0.00 0.00 41.96 38.80 3gd6 s TYR 241 CO 0.82 -0.67 1.43 -2.14 -1.57 0.00 0.00 175.55 173.42 3gd6 s PRO 242 N -4.40 3.84 -0.17 -1.71 0.02 -1.26 -4.81 135.00 126.51 3gd6 s PRO 242 Ca 0.59 2.44 -0.08 0.00 0.02 0.00 0.00 61.00 63.97 3gd6 s PRO 242 Cb -0.12 -2.76 -0.04 0.00 0.02 0.00 0.00 34.50 31.60 3gd6 s PRO 242 CO 0.39 -0.70 0.10 0.42 -0.33 0.00 0.00 177.00 176.88 3gd6 s ILE 243 N -1.18 5.13 0.10 2.83 -1.09 -1.26 -1.28 121.20 124.44 3gd6 s ILE 243 Ca 0.58 0.08 0.10 0.00 -2.23 0.00 0.00 60.65 59.19 3gd6 s ILE 243 Cb -0.44 -3.30 -0.04 0.00 -1.58 0.00 0.00 42.46 37.10 3gd6 s ILE 243 CO 0.58 0.49 -0.26 -0.94 -1.23 0.00 0.00 174.94 173.57 3gd6 s SER 244 N 0.05 3.18 -0.03 3.58 1.04 -0.03 -0.78 113.70 120.72 3gd6 s SER 244 Ca 0.08 -0.68 -0.13 0.00 0.48 0.00 0.00 55.95 55.69 3gd6 s SER 244 Cb -0.12 -0.24 0.02 0.00 0.10 0.00 0.00 66.02 65.79 3gd6 s SER 244 CO 0.00 0.20 0.28 -0.70 0.98 0.00 0.00 173.24 173.99 3gd6 s GLU 245 N -1.75 0.59 0.54 4.02 2.56 -1.00 -0.97 118.70 122.69 3gd6 s GLU 245 Ca 0.12 -0.14 -0.18 0.00 0.00 0.00 0.00 54.97 54.77 3gd6 s GLU 245 Cb -0.10 0.26 -0.06 0.00 2.00 0.00 0.00 34.13 36.23 3gd6 s GLU 245 CO 0.04 -0.15 1.05 -1.01 -0.56 0.00 0.00 175.26 174.63 3gd6 s HIS 246 N -1.12 2.99 -0.26 5.30 3.76 -1.26 -0.73 115.29 123.97 3gd6 s HIS 246 Ca -0.12 1.54 -0.07 0.00 -0.15 0.00 0.00 55.06 56.27 3gd6 s HIS 246 Cb -0.05 -3.05 -0.02 0.00 1.11 0.00 0.00 32.58 30.58 3gd6 s HIS 246 CO 0.03 -0.99 0.05 0.08 -0.85 0.00 0.00 174.74 173.07 3gd6 s VAL 247 N -2.20 4.05 -0.01 -0.90 1.01 -0.53 -4.83 120.40 116.98 3gd6 s VAL 247 Ca 0.66 -0.36 0.00 0.00 0.00 0.00 0.00 61.98 62.27 3gd6 s VAL 247 Cb -0.16 -2.94 0.00 0.00 0.00 0.00 0.00 36.38 33.28 3gd6 s VAL 247 CO 0.28 0.29 0.28 -2.67 0.00 0.00 0.00 175.10 173.28 3gd6 n TRP 248 N 4.89 0.00 -3.54 5.22 2.14 -1.26 -4.40 117.44 120.49 3gd6 n TRP 248 Ca -0.16 0.00 -0.13 0.00 2.07 0.00 0.00 57.50 59.28 3gd6 n TRP 248 Cb 0.50 0.00 -0.05 0.00 -0.81 0.00 0.00 31.31 30.96 3gd6 n TRP 248 CO 0.00 0.00 0.00 -1.54 2.07 0.00 0.00 177.69 178.22 3gd6 s SER 249 N -0.46 -0.47 0.27 -0.67 1.04 -1.26 -4.64 113.70 107.50 3gd6 s SER 249 Ca 0.00 0.42 -0.02 0.00 0.48 0.00 0.00 55.95 56.83 3gd6 s SER 249 Cb 0.00 0.41 0.37 0.00 0.10 0.00 0.00 66.02 66.90 3gd6 s SER 249 CO 0.00 -0.51 1.79 -0.26 0.98 0.00 0.00 173.24 175.24 3gd6 h PHE 250 N 2.58 0.85 -0.58 5.02 0.04 -1.97 -0.42 116.94 122.47 3gd6 h PHE 250 Ca -0.23 -0.10 -0.02 0.00 2.80 0.00 0.00 57.97 60.43 3gd6 h PHE 250 Cb 1.18 -0.24 -0.03 0.00 2.20 0.00 0.00 35.95 39.06 3gd6 h PHE 250 CO 0.31 0.75 0.28 -0.22 -0.60 0.00 0.00 178.31 178.83 3gd6 h LYS 251 N 0.77 0.83 -0.28 1.51 1.63 -1.98 0.29 116.57 119.33 3gd6 h LYS 251 Ca 0.16 -0.12 -0.02 0.00 -0.85 0.00 0.00 60.65 59.82 3gd6 h LYS 251 Cb 0.37 -0.15 -0.01 0.00 -0.60 0.00 0.00 32.23 31.84 3gd6 h LYS 251 CO 0.01 0.67 0.08 0.37 -3.45 0.00 0.00 179.45 177.12 3gd6 h GLN 252 N 0.78 0.45 -0.71 1.90 4.15 -1.88 -1.54 115.11 118.25 3gd6 h GLN 252 Ca 0.20 -0.10 -0.02 0.00 0.77 0.00 0.00 58.65 59.50 3gd6 h GLN 252 Cb 0.11 -0.06 -0.03 0.00 0.21 0.00 0.00 27.48 27.70 3gd6 h GLN 252 CO -0.03 0.52 0.38 0.37 -1.93 0.00 0.00 178.83 178.14 3gd6 h GLN 253 N 0.29 0.99 -0.77 1.69 4.15 -0.74 -1.94 115.11 118.79 3gd6 h GLN 253 Ca 0.09 -0.12 0.03 0.00 0.77 0.00 0.00 58.65 59.42 3gd6 h GLN 253 Cb 0.26 -0.19 -0.05 0.00 0.21 0.00 0.00 27.48 27.71 3gd6 h GLN 253 CO -0.00 0.75 0.49 0.37 -1.93 0.00 0.00 178.83 178.51 3gd6 h GLN 254 N 0.98 0.93 -0.60 1.69 4.15 -0.23 0.66 115.11 122.69 3gd6 h GLN 254 Ca 0.25 -0.06 -0.03 0.00 0.77 0.00 0.00 58.65 59.58 3gd6 h GLN 254 Cb 0.05 -0.21 -0.03 0.00 0.21 0.00 0.00 27.48 27.51 3gd6 h GLN 254 CO -0.04 0.61 0.25 0.93 -1.93 0.00 0.00 178.83 178.65 3gd6 h GLU 255 N 0.96 0.90 -0.26 1.69 4.39 -0.82 0.77 114.58 122.20 3gd6 h GLU 255 Ca 0.31 -0.16 -0.11 0.00 0.34 0.00 0.00 59.36 59.74 3gd6 h GLU 255 Cb 0.01 -0.15 -0.01 0.00 -0.10 0.00 0.00 28.75 28.50 3gd6 h GLU 255 CO -0.11 0.76 -0.31 0.52 -1.16 0.00 0.00 179.01 178.71 3gd6 h MET 256 N 0.83 0.53 0.04 2.33 2.86 -0.69 -1.56 114.93 119.27 3gd6 h MET 256 Ca 0.20 -0.23 -0.00 0.00 -2.06 0.00 0.00 59.70 57.61 3gd6 h MET 256 Cb 0.19 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 31.84 3gd6 h MET 256 CO -0.02 0.78 -0.02 0.82 1.06 0.00 0.00 176.91 179.54 3gd6 h ILE 257 N 0.46 1.25 -0.76 -1.22 2.04 -0.59 0.17 117.51 118.86 3gd6 h ILE 257 Ca 0.06 -0.93 0.05 0.00 1.00 0.00 0.00 64.86 65.04 3gd6 h ILE 257 Cb 0.77 1.86 -0.05 0.00 -0.74 0.00 0.00 36.82 38.66 3gd6 h ILE 257 CO 0.06 0.23 0.46 0.11 0.00 0.00 0.00 178.15 179.02 3gd6 h LYS 258 N -0.46 0.84 0.00 2.37 1.57 -0.79 -2.12 116.57 117.97 3gd6 h LYS 258 Ca -0.01 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 3gd6 h LYS 258 Cb 0.42 -0.19 0.00 0.00 0.08 0.00 0.00 32.23 32.54 3gd6 h LYS 258 CO 0.01 0.55 -0.17 1.63 -0.57 0.00 0.00 179.45 180.90 3gd6 n LYS 259 N -4.68 0.09 -3.62 3.15 5.02 -0.59 -4.92 118.16 112.61 3gd6 n LYS 259 Ca 0.10 0.06 -0.22 0.00 -2.02 0.00 0.00 58.31 56.23 3gd6 n LYS 259 Cb 0.14 -1.59 0.06 0.00 -0.02 0.00 0.00 35.03 33.62 3gd6 n LYS 259 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 3gd6 n ASP 260 N -1.74 -3.08 0.15 4.39 4.64 -0.12 -4.90 116.55 115.89 3gd6 n ASP 260 Ca 0.06 -0.69 0.02 0.00 -1.38 0.00 0.00 54.79 52.80 3gd6 n ASP 260 Cb 0.37 -4.59 0.15 0.00 -1.04 0.00 0.00 41.12 36.02 3gd6 n ASP 260 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 3gd6 h ALA 261 N 0.92 0.79 -2.14 -1.67 0.00 -1.39 -3.46 119.26 112.32 3gd6 h ALA 261 Ca -0.59 -0.48 -0.46 0.00 0.00 0.00 0.00 54.91 53.38 3gd6 h ALA 261 Cb 1.36 -0.08 -0.14 0.00 0.00 0.00 0.00 17.79 18.93 3gd6 h ALA 261 CO 0.56 0.65 -0.55 0.96 0.00 0.00 0.00 179.25 180.87 3gd6 s ILE 262 N -3.26 0.51 -0.15 0.00 -4.36 -1.26 -3.41 121.20 109.27 3gd6 s ILE 262 Ca 0.01 -2.00 0.05 0.00 -0.26 0.00 0.00 60.65 58.46 3gd6 s ILE 262 Cb 0.10 -2.51 -0.13 0.00 1.25 0.00 0.00 42.46 41.17 3gd6 s ILE 262 CO 0.73 0.00 -0.08 0.47 0.24 0.00 0.00 174.94 176.30 3gd6 n ASP 263 N -1.00 2.33 -3.99 4.36 9.92 0.04 -4.96 116.55 123.26 3gd6 n ASP 263 Ca -0.01 -0.06 -0.24 0.00 -0.53 0.00 0.00 54.79 53.95 3gd6 n ASP 263 Cb 0.65 0.14 -0.17 0.00 -0.64 0.00 0.00 41.12 41.10 3gd6 n ASP 263 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 3gd6 s ILE 264 N -2.33 1.03 -0.29 0.53 1.01 -0.50 -3.46 121.20 117.20 3gd6 s ILE 264 Ca -0.17 -0.40 -0.18 0.00 0.00 0.00 0.00 60.65 59.90 3gd6 s ILE 264 Cb 0.05 -0.97 -0.02 0.00 0.01 0.00 0.00 42.46 41.53 3gd6 s ILE 264 CO 0.45 0.34 0.53 -0.36 0.00 0.00 0.00 174.94 175.90 3gd6 s PHE 265 N 0.88 3.24 -0.49 3.97 0.08 -0.10 -2.38 117.98 123.17 3gd6 s PHE 265 Ca -0.11 0.53 -0.21 0.00 0.12 0.00 0.00 56.93 57.26 3gd6 s PHE 265 Cb -0.15 -2.81 0.04 0.00 -0.57 0.00 0.00 43.02 39.53 3gd6 s PHE 265 CO 0.01 -0.37 0.70 1.21 -0.10 0.00 0.00 175.22 176.67 3gd6 s ASN 266 N 1.61 6.28 -0.09 1.36 3.04 0.09 -1.65 114.94 125.57 3gd6 s ASN 266 Ca 0.21 -0.61 0.01 0.00 0.04 0.00 0.00 52.86 52.51 3gd6 s ASN 266 Cb -0.15 -2.33 -0.02 0.00 -1.54 0.00 0.00 41.25 37.20 3gd6 s ASN 266 CO 0.10 -0.93 -0.10 -0.63 -3.04 0.00 0.00 177.10 172.51 3gd6 s ILE 267 N 2.97 3.41 -0.04 -5.21 1.01 0.04 -1.45 121.20 121.92 3gd6 s ILE 267 Ca 0.21 -0.57 -0.01 0.00 0.00 0.00 0.00 60.65 60.28 3gd6 s ILE 267 Cb -0.16 -2.40 0.03 0.00 0.01 0.00 0.00 42.46 39.93 3gd6 s ILE 267 CO 0.16 0.56 0.02 -0.44 0.00 0.00 0.00 174.94 175.24 3gd6 s SER 268 N -0.31 0.69 0.33 3.58 0.01 -1.26 -1.69 113.70 115.04 3gd6 s SER 268 Ca 0.04 0.01 0.09 0.00 1.31 0.00 0.00 55.95 57.39 3gd6 s SER 268 Cb -0.13 -0.20 0.82 0.00 0.21 0.00 0.00 66.02 66.72 3gd6 s SER 268 CO 0.03 -0.16 1.78 -0.65 0.41 0.00 0.00 173.24 174.65 3gd6 h PRO 269 N 7.71 0.66 -0.25 12.44 0.11 -1.96 -1.78 132.00 148.93 3gd6 h PRO 269 Ca -0.32 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.74 3gd6 h PRO 269 Cb 1.13 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 32.07 3gd6 h PRO 269 CO 0.36 0.44 0.11 -0.24 -0.21 0.00 0.00 178.00 178.47 3gd6 h VAL 270 N 0.68 1.09 -0.00 3.15 3.04 -1.89 0.34 116.25 122.66 3gd6 h VAL 270 Ca 0.57 -0.27 0.00 0.00 -1.01 0.00 0.00 66.70 65.99 3gd6 h VAL 270 Cb 0.99 0.78 0.00 0.00 -2.01 0.00 0.00 31.29 31.06 3gd6 h VAL 270 CO -0.35 0.11 -0.39 0.49 -1.01 0.00 0.00 177.57 176.42 3gd6 n PHE 271 N -4.45 0.00 0.04 3.17 3.72 -0.68 -3.24 117.46 116.02 3gd6 n PHE 271 Ca 0.01 0.00 0.01 0.00 -0.05 0.00 0.00 57.45 57.41 3gd6 n PHE 271 Cb 0.11 -0.16 0.00 0.00 -0.94 0.00 0.00 39.48 38.50 3gd6 n PHE 271 CO 0.00 0.00 0.00 1.51 -0.05 0.00 0.00 176.76 178.22 3gd6 n ILE 272 N -0.96 0.02 0.00 4.37 0.13 -0.94 -4.42 119.36 117.56 3gd6 n ILE 272 Ca 0.09 -0.51 0.00 0.00 -1.10 0.00 0.00 62.75 61.23 3gd6 n ILE 272 Cb 0.35 1.01 0.00 0.00 -0.84 0.00 0.00 39.64 40.16 3gd6 n ILE 272 CO 0.00 0.00 0.00 0.61 2.80 0.00 0.00 176.55 179.96 3gd6 n GLY 273 N 0.05 1.04 0.00 4.50 0.00 -0.05 -4.72 105.19 106.01 3gd6 n GLY 273 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 3gd6 n GLY 273 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gd6 n GLY 274 N -1.89 2.19 0.26 -0.02 0.00 0.99 -2.74 105.19 103.99 3gd6 n GLY 274 Ca 0.00 -2.18 -0.00 0.00 0.00 0.00 0.00 46.02 43.84 3gd6 n GLY 274 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3gd6 h LEU 275 N 0.00 0.51 -0.19 0.99 3.38 -1.85 0.11 115.31 118.25 3gd6 h LEU 275 Ca 0.00 0.04 0.02 0.00 0.09 0.00 0.00 57.88 58.04 3gd6 h LEU 275 Cb 0.00 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 3gd6 h LEU 275 CO 0.00 0.31 0.05 0.74 0.09 0.00 0.00 178.44 179.63 3gd6 h THR 276 N 0.65 0.93 -0.20 0.22 2.02 -1.90 0.43 112.91 115.05 3gd6 h THR 276 Ca 0.32 -0.04 -0.13 0.00 0.77 0.00 0.00 66.41 67.33 3gd6 h THR 276 Cb 0.27 0.79 -0.01 0.00 -1.74 0.00 0.00 68.15 67.45 3gd6 h THR 276 CO -0.22 0.02 -0.43 0.28 0.37 0.00 0.00 175.52 175.54 3gd6 h SER 277 N 0.13 0.50 -0.47 4.18 0.02 -1.76 -2.49 113.55 113.67 3gd6 h SER 277 Ca 0.09 -0.23 -0.09 0.00 -0.84 0.00 0.00 61.79 60.72 3gd6 h SER 277 Cb 0.07 -0.14 -0.02 0.00 0.14 0.00 0.00 62.40 62.45 3gd6 h SER 277 CO -0.10 0.87 -0.04 0.00 -1.14 0.00 0.00 176.83 176.42 3gd6 h ALA 278 N 1.15 0.96 -0.48 3.77 0.00 -0.42 -1.06 119.26 123.18 3gd6 h ALA 278 Ca 0.03 -0.30 -0.04 0.00 0.00 0.00 0.00 54.91 54.60 3gd6 h ALA 278 Cb 0.91 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.48 3gd6 h ALA 278 CO 0.08 0.62 0.16 0.87 0.00 0.00 0.00 179.25 180.98 3gd6 h LYS 279 N 0.83 0.75 -0.54 0.00 1.57 -0.76 0.90 116.57 119.31 3gd6 h LYS 279 Ca 0.15 -0.16 0.01 0.00 -1.87 0.00 0.00 60.65 58.78 3gd6 h LYS 279 Cb 0.54 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 32.71 3gd6 h LYS 279 CO 0.03 0.70 0.35 0.87 -0.57 0.00 0.00 179.45 180.84 3gd6 h LYS 280 N 0.65 0.70 -0.62 3.15 1.57 -1.14 0.67 116.57 121.55 3gd6 h LYS 280 Ca 0.16 -0.04 -0.03 0.00 -1.87 0.00 0.00 60.65 58.87 3gd6 h LYS 280 Cb 0.26 -0.16 -0.03 0.00 0.08 0.00 0.00 32.23 32.38 3gd6 h LYS 280 CO -0.01 0.46 0.27 0.00 -0.57 0.00 0.00 179.45 179.61 3gd6 h ALA 281 N 1.21 0.80 -0.71 3.86 0.00 -0.84 -0.07 119.26 123.50 3gd6 h ALA 281 Ca 0.20 -0.15 -0.06 0.00 0.00 0.00 0.00 54.91 54.90 3gd6 h ALA 281 Cb -0.06 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.45 3gd6 h ALA 281 CO -0.05 0.39 0.20 0.00 0.00 0.00 0.00 179.25 179.78 3gd6 h ALA 282 N 1.11 0.94 -0.37 0.00 0.00 -0.37 -1.59 119.26 118.98 3gd6 h ALA 282 Ca 0.21 -0.23 -0.13 0.00 0.00 0.00 0.00 54.91 54.75 3gd6 h ALA 282 Cb 0.16 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 3gd6 h ALA 282 CO -0.02 0.64 -0.31 1.88 0.00 0.00 0.00 179.25 181.44 3gd6 h TYR 283 N 1.06 0.94 -0.75 0.00 0.05 -0.56 -0.03 116.97 117.69 3gd6 h TYR 283 Ca 0.23 -0.25 -0.03 0.00 0.05 0.00 0.00 58.73 58.73 3gd6 h TYR 283 Cb 0.34 -0.21 -0.04 0.00 1.01 0.00 0.00 36.73 37.83 3gd6 h TYR 283 CO 0.03 1.01 0.36 0.00 -1.05 0.00 0.00 178.16 178.51 3gd6 h ALA 284 N 0.97 1.22 -0.51 3.88 0.00 -0.79 0.12 119.26 124.14 3gd6 h ALA 284 Ca 0.08 -0.15 -0.11 0.00 0.00 0.00 0.00 54.91 54.72 3gd6 h ALA 284 Cb 0.85 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 3gd6 h ALA 284 CO 0.07 0.60 -0.12 0.00 0.00 0.00 0.00 179.25 179.80 3gd6 h ALA 285 N 1.33 0.70 -0.43 0.00 0.00 -0.95 -2.23 119.26 117.67 3gd6 h ALA 285 Ca 0.26 -0.35 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 3gd6 h ALA 285 Cb 0.11 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 3gd6 h ALA 285 CO -0.03 0.62 0.23 1.49 0.00 0.00 0.00 179.25 181.56 3gd6 h GLU 286 N 0.85 0.61 -0.26 0.00 4.81 -0.24 0.53 114.58 120.88 3gd6 h GLU 286 Ca 0.13 -0.08 -0.01 0.00 -0.13 0.00 0.00 59.36 59.27 3gd6 h GLU 286 Cb 0.69 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.94 3gd6 h GLU 286 CO 0.05 0.50 0.12 0.28 -0.73 0.00 0.00 179.01 179.23 3gd6 h VAL 287 N 0.56 1.10 -0.10 0.32 2.07 -0.68 -0.45 116.25 119.07 3gd6 h VAL 287 Ca 0.15 -0.28 0.00 0.00 0.82 0.00 0.00 66.70 67.39 3gd6 h VAL 287 Cb 0.08 0.77 0.00 0.00 -1.52 0.00 0.00 31.29 30.62 3gd6 h VAL 287 CO -0.02 0.11 0.00 0.00 0.02 0.00 0.00 177.57 177.68 3gd6 n ALA 288 N -2.49 2.54 -3.40 1.67 0.00 -0.81 -4.90 120.51 113.12 3gd6 n ALA 288 Ca 0.01 -0.29 -0.22 0.00 0.00 0.00 0.00 53.44 52.93 3gd6 n ALA 288 Cb 0.11 -1.14 0.07 0.00 0.00 0.00 0.00 19.45 18.49 3gd6 n ALA 288 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3gd6 n SER 289 N -0.21 -6.05 -4.49 0.00 7.64 -0.18 -5.01 113.62 105.32 3gd6 n SER 289 Ca 0.12 -0.45 -0.29 0.00 1.01 0.00 0.00 58.87 59.26 3gd6 n SER 289 Cb 0.17 -4.71 -0.11 0.00 -1.01 0.00 0.00 64.21 58.54 3gd6 n SER 289 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 3gd6 s LYS 290 N -6.10 1.79 0.61 1.43 -0.14 0.11 -5.02 119.74 112.43 3gd6 s LYS 290 Ca 0.49 -1.18 -0.11 0.00 -1.36 0.00 0.00 55.97 53.81 3gd6 s LYS 290 Cb -0.22 -2.12 -0.04 0.00 -1.68 0.00 0.00 37.83 33.77 3gd6 s LYS 290 CO 0.61 0.48 1.03 -0.51 -0.76 0.00 0.00 175.35 176.19 3gd6 s ASP 291 N -2.17 6.25 0.07 2.83 -0.00 -1.22 -4.13 116.67 118.31 3gd6 s ASP 291 Ca 0.18 1.44 0.03 0.00 -0.00 0.00 0.00 52.55 54.20 3gd6 s ASP 291 Cb -0.11 -2.47 -0.03 0.00 -0.00 0.00 0.00 42.92 40.31 3gd6 s ASP 291 CO 0.10 -0.85 -0.10 -0.69 -0.00 0.00 0.00 175.17 173.63 3gd6 s VAL 292 N -3.13 0.82 0.04 -1.27 1.01 -0.04 -0.93 120.40 116.90 3gd6 s VAL 292 Ca 0.55 -1.36 -0.02 0.00 0.00 0.00 0.00 61.98 61.15 3gd6 s VAL 292 Cb -0.11 -1.02 -0.02 0.00 0.00 0.00 0.00 36.38 35.23 3gd6 s VAL 292 CO 0.52 -0.42 0.02 0.68 0.00 0.00 0.00 175.10 175.90 3gd6 s VAL 293 N -1.80 0.16 -0.04 2.92 -7.23 -0.66 -4.16 120.40 109.59 3gd6 s VAL 293 Ca -0.02 -1.28 -0.17 0.00 -1.81 0.00 0.00 61.98 58.70 3gd6 s VAL 293 Cb -0.07 -0.92 -0.05 0.00 0.56 0.00 0.00 36.38 35.89 3gd6 s VAL 293 CO 0.00 -0.71 0.46 -0.76 -0.31 0.00 0.00 175.10 173.79 3gd6 s LEU 294 N -2.21 4.40 0.73 1.32 1.02 -1.26 -0.78 118.68 121.89 3gd6 s LEU 294 Ca -0.04 0.94 -0.04 0.00 0.02 0.00 0.00 54.13 55.00 3gd6 s LEU 294 Cb -0.01 -2.67 0.11 0.00 0.02 0.00 0.00 46.19 43.63 3gd6 s LEU 294 CO -0.05 0.18 1.02 -0.83 0.02 0.00 0.00 176.35 176.68 3gd6 s GLY 295 N -0.35 1.75 0.37 -3.19 0.00 -0.68 -0.33 107.32 104.90 3gd6 s GLY 295 Ca 0.25 -1.36 -0.18 0.00 0.00 0.00 0.00 44.72 43.43 3gd6 s GLY 295 CO 0.13 -0.85 0.84 -1.59 0.00 0.00 0.00 173.10 171.63 3gd6 s THR 296 N -3.23 4.53 0.26 0.90 2.01 -1.26 -3.44 115.64 115.41 3gd6 s THR 296 Ca 0.64 1.24 -0.08 0.00 0.31 0.00 0.00 61.69 63.80 3gd6 s THR 296 Cb -0.07 -3.63 -0.01 0.00 0.01 0.00 0.00 72.50 68.80 3gd6 s THR 296 CO 0.45 -0.23 0.39 0.42 -0.69 0.00 0.00 174.62 174.97 3gd6 s THR 297 N -2.05 0.00 -1.39 -0.82 -4.23 -1.26 -4.98 115.64 100.91 3gd6 s THR 297 Ca 0.57 -1.59 0.18 0.00 -1.18 0.00 0.00 61.69 59.67 3gd6 s THR 297 Cb -0.10 -2.37 0.65 0.00 1.34 0.00 0.00 72.50 72.02 3gd6 s THR 297 CO 0.16 0.00 1.54 0.00 -0.54 0.00 0.00 174.62 175.78 3gd6 n GLN 298 N -0.39 3.27 -1.89 3.99 6.02 -1.26 -3.49 117.38 123.63 3gd6 n GLN 298 Ca -0.00 -2.57 -0.37 0.00 -0.01 0.00 0.00 57.00 54.04 3gd6 n GLN 298 Cb 0.63 -1.77 0.04 0.00 1.02 0.00 0.00 30.24 30.16 3gd6 n GLN 298 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 3gd6 s GLU 299 N -1.64 3.03 0.00 -1.09 2.02 -1.26 -4.79 118.70 114.97 3gd6 s GLU 299 Ca 0.46 2.03 0.00 0.00 0.02 0.00 0.00 54.97 57.48 3gd6 s GLU 299 Cb 0.29 -2.09 0.00 0.00 0.10 0.00 0.00 34.13 32.43 3gd6 s GLU 299 CO 0.25 -1.22 0.00 1.28 0.02 0.00 0.00 175.26 175.59 3gd6 n LEU 300 N -1.32 0.00 0.05 1.80 4.77 -1.26 -2.82 117.00 118.21 3gd6 n LEU 300 Ca 0.12 0.00 -0.00 0.00 -0.03 0.00 0.00 56.01 56.10 3gd6 n LEU 300 Cb 0.47 0.00 0.30 0.00 -2.33 0.00 0.00 43.42 41.86 3gd6 n LEU 300 CO 0.48 0.00 0.86 0.28 -1.33 0.00 0.00 177.39 177.68 3gd6 h SER 301 N 0.00 0.39 0.26 -1.43 0.02 -1.96 -1.50 113.55 109.32 3gd6 h SER 301 Ca 0.00 -0.09 -0.01 0.00 -0.84 0.00 0.00 61.79 60.84 3gd6 h SER 301 Cb 0.00 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 62.44 3gd6 h SER 301 CO 0.00 0.55 -0.12 0.58 -1.14 0.00 0.00 176.83 176.70 3gd6 h VAL 302 N 0.38 0.79 -0.37 2.27 2.07 -1.97 -0.01 116.25 119.41 3gd6 h VAL 302 Ca 0.07 -0.27 -0.15 0.00 0.82 0.00 0.00 66.70 67.17 3gd6 h VAL 302 Cb 0.45 0.94 -0.01 0.00 -1.52 0.00 0.00 31.29 31.16 3gd6 h VAL 302 CO 0.03 0.06 -0.35 1.23 0.02 0.00 0.00 177.57 178.55 3gd6 h GLY 303 N -0.48 0.93 1.87 2.17 0.00 -1.88 -3.04 103.07 102.64 3gd6 h GLY 303 Ca -0.04 -0.92 -0.08 0.00 0.00 0.00 0.00 47.33 46.30 3gd6 h GLY 303 CO 0.06 0.83 -0.32 -0.84 0.00 0.00 0.00 176.54 176.27 3gd6 h THR 304 N 0.71 1.26 -0.64 4.70 2.02 -1.24 -2.46 112.91 117.25 3gd6 h THR 304 Ca 0.07 -1.22 -0.02 0.00 0.77 0.00 0.00 66.41 66.01 3gd6 h THR 304 Cb 0.92 1.55 -0.03 0.00 -1.74 0.00 0.00 68.15 68.85 3gd6 h THR 304 CO 0.09 0.36 0.31 0.00 0.37 0.00 0.00 175.52 176.64 3gd6 h ALA 305 N 1.55 1.33 -0.59 6.16 0.00 -0.88 -0.95 119.26 125.88 3gd6 h ALA 305 Ca 0.02 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 3gd6 h ALA 305 Cb 0.63 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 3gd6 h ALA 305 CO 0.05 0.52 0.32 0.00 0.00 0.00 0.00 179.25 180.14 3gd6 h ALA 306 N 1.43 0.75 -0.18 0.00 0.00 -1.41 -1.82 119.26 118.03 3gd6 h ALA 306 Ca 0.22 -0.10 -0.08 0.00 0.00 0.00 0.00 54.91 54.96 3gd6 h ALA 306 Cb 0.10 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 3gd6 h ALA 306 CO -0.03 0.27 -0.24 0.52 0.00 0.00 0.00 179.25 179.78 3gd6 h MET 307 N 0.79 0.32 -0.22 0.00 2.86 -1.28 -1.29 114.93 116.11 3gd6 h MET 307 Ca 0.21 -0.11 -0.02 0.00 -2.06 0.00 0.00 59.70 57.72 3gd6 h MET 307 Cb 0.04 -0.03 -0.01 0.00 0.06 0.00 0.00 31.60 31.67 3gd6 h MET 307 CO -0.03 0.54 0.07 0.00 1.06 0.00 0.00 176.91 178.55 3gd6 h ALA 308 N 1.47 0.29 -0.38 6.32 0.00 -0.58 0.14 119.26 126.52 3gd6 h ALA 308 Ca 0.05 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 3gd6 h ALA 308 Cb 0.58 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 3gd6 h ALA 308 CO 0.04 -0.08 0.21 0.45 0.00 0.00 0.00 179.25 179.86 3gd6 h HIS 309 N 0.19 0.52 0.26 0.00 3.86 -1.17 -2.07 115.15 116.73 3gd6 h HIS 309 Ca 0.07 -0.01 -0.01 0.00 -1.16 0.00 0.00 60.37 59.26 3gd6 h HIS 309 Cb 0.23 -0.17 -0.01 0.00 1.06 0.00 0.00 27.41 28.53 3gd6 h HIS 309 CO 0.00 0.41 -0.17 1.25 0.86 0.00 0.00 177.93 180.28 3gd6 h LEU 310 N 0.48 -0.43 -1.30 2.43 6.46 -1.06 -2.91 115.31 118.97 3gd6 h LEU 310 Ca 0.13 0.03 0.07 0.00 -0.12 0.00 0.00 57.88 57.99 3gd6 h LEU 310 Cb 0.06 0.13 -0.05 0.00 -0.73 0.00 0.00 40.66 40.07 3gd6 h LEU 310 CO -0.02 -0.27 0.52 1.23 -0.62 0.00 0.00 178.44 179.27 3gd6 h GLY 311 N -0.42 1.08 1.27 3.75 0.00 -0.63 -1.38 103.07 106.74 3gd6 h GLY 311 Ca -0.02 -0.34 0.00 0.00 0.00 0.00 0.00 47.33 46.97 3gd6 h GLY 311 CO 0.02 0.24 0.00 0.00 0.00 0.00 0.00 176.54 176.80 3gd6 n SER 313 N -1.14 0.95 -4.84 0.00 3.41 -0.53 0.36 113.62 111.84 3gd6 n SER 313 Ca 0.18 -0.51 -0.34 0.00 -0.26 0.00 0.00 58.87 57.94 3gd6 n SER 313 Cb 0.16 1.32 -0.06 0.00 -0.26 0.00 0.00 64.21 65.37 3gd6 n SER 313 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3gd6 s LEU 314 N -3.35 4.17 0.00 1.04 1.43 -1.15 -4.71 118.68 116.11 3gd6 s LEU 314 Ca 0.01 1.34 0.19 0.00 -1.03 0.00 0.00 54.13 54.64 3gd6 s LEU 314 Cb 0.12 -3.90 0.02 0.00 0.03 0.00 0.00 46.19 42.45 3gd6 s LEU 314 CO 0.67 -0.12 0.98 0.35 0.23 0.00 0.00 176.35 178.46 3gd6 n THR 315 N 0.04 0.00 -1.71 5.49 -2.24 -1.26 -4.51 114.28 110.09 3gd6 n THR 315 Ca 0.01 -0.34 -0.17 0.00 -2.27 0.00 0.00 64.05 61.29 3gd6 n THR 315 Cb 0.52 1.25 0.10 0.00 -2.10 0.00 0.00 70.33 70.11 3gd6 n THR 315 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 3gd6 n ASN 316 N 0.13 4.29 -4.08 3.42 6.94 -1.26 -4.89 115.26 119.81 3gd6 n ASN 316 Ca 0.08 -3.79 -0.34 0.00 -0.02 0.00 0.00 54.58 50.51 3gd6 n ASN 316 Cb 0.41 -0.55 -0.13 0.00 -2.36 0.00 0.00 39.78 37.16 3gd6 n ASN 316 CO 0.00 0.00 0.00 -0.63 -1.03 0.00 0.00 177.26 175.60 3gd6 s ILE 317 N -4.10 3.00 -0.65 1.53 1.01 -1.26 -0.86 121.20 119.87 3gd6 s ILE 317 Ca 0.50 -2.29 0.07 0.00 0.00 0.00 0.00 60.65 58.94 3gd6 s ILE 317 Cb 0.42 -3.08 0.19 0.00 0.01 0.00 0.00 42.46 40.00 3gd6 s ILE 317 CO 0.01 -0.69 1.14 0.59 0.00 0.00 0.00 174.94 175.98 3gd6 n ASN 318 N 4.32 2.54 -4.40 3.58 4.13 -1.26 -5.03 115.26 119.15 3gd6 n ASN 318 Ca 0.01 -1.94 -0.25 0.00 1.68 0.00 0.00 54.58 54.08 3gd6 n ASN 318 Cb 0.41 -0.14 -0.10 0.00 -1.54 0.00 0.00 39.78 38.41 3gd6 n ASN 318 CO 0.00 0.00 0.00 -1.00 0.28 0.00 0.00 177.26 176.54 3gd6 s HIS 319 N -0.97 1.94 0.16 3.10 3.76 -1.26 -5.12 115.29 116.89 3gd6 s HIS 319 Ca 0.15 -1.04 -0.30 0.00 -0.15 0.00 0.00 55.06 53.72 3gd6 s HIS 319 Cb 0.08 -1.32 -0.07 0.00 1.11 0.00 0.00 32.58 32.38 3gd6 s HIS 319 CO 0.10 -0.03 1.17 0.99 -0.85 0.00 0.00 174.74 176.12 3gd6 s THR 320 N -3.18 3.77 0.68 1.30 2.01 -1.26 -4.82 115.64 114.14 3gd6 s THR 320 Ca 0.29 1.45 0.04 0.00 0.31 0.00 0.00 61.69 63.78 3gd6 s THR 320 Cb 0.06 -3.92 0.13 0.00 0.01 0.00 0.00 72.50 68.77 3gd6 s THR 320 CO 0.14 0.21 0.94 -0.44 -0.69 0.00 0.00 174.62 174.78 3gd6 s SER 321 N 0.25 4.53 0.00 3.53 0.01 0.18 -4.85 113.70 117.35 3gd6 s SER 321 Ca 0.53 -0.66 0.00 0.00 1.31 0.00 0.00 55.95 57.13 3gd6 s SER 321 Cb -0.31 0.30 0.00 0.00 0.21 0.00 0.00 66.02 66.22 3gd6 s SER 321 CO 0.34 -1.75 0.66 0.47 0.41 0.00 0.00 173.24 173.37 3gd6 n ASP 322 N -2.65 1.29 -4.56 2.44 8.00 0.56 -1.44 116.55 120.19 3gd6 n ASP 322 Ca 0.17 -1.37 -0.38 0.00 0.71 0.00 0.00 54.79 53.92 3gd6 n ASP 322 Cb 0.61 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.68 3gd6 n ASP 322 CO 0.00 0.00 0.00 -2.84 -0.39 0.00 0.00 177.20 173.97 3gd6 s PRO 323 N -0.37 2.43 -0.06 -0.24 0.02 -1.22 -4.09 135.00 131.47 3gd6 s PRO 323 Ca 0.00 1.23 0.16 0.00 0.02 0.00 0.00 61.00 62.41 3gd6 s PRO 323 Cb 0.00 -4.48 0.32 0.00 0.02 0.00 0.00 34.50 30.36 3gd6 s PRO 323 CO 0.00 -2.91 1.14 0.25 -0.33 0.00 0.00 177.00 175.15 3gd6 n THR 324 N 7.70 0.70 -0.23 0.99 -2.24 -1.26 -4.92 114.28 115.02 3gd6 n THR 324 Ca 0.30 -1.41 0.02 0.00 -2.27 0.00 0.00 64.05 60.69 3gd6 n THR 324 Cb 0.53 0.47 0.11 0.00 -2.10 0.00 0.00 70.33 69.34 3gd6 n THR 324 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 3gd6 h GLY 325 N 0.66 0.64 1.05 3.38 0.00 -1.72 -0.32 103.07 106.76 3gd6 h GLY 325 Ca -0.10 0.15 0.12 0.00 0.00 0.00 0.00 47.33 47.50 3gd6 h GLY 325 CO 0.04 -0.25 0.36 -2.55 0.00 0.00 0.00 176.54 174.14 3gd6 h PRO 326 N 0.06 0.00 0.00 4.80 0.11 -1.80 -0.65 132.00 134.52 3gd6 h PRO 326 Ca 0.35 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.46 3gd6 h PRO 326 Cb 0.57 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.68 3gd6 h PRO 326 CO -0.63 0.00 0.00 0.93 -0.21 0.00 0.00 178.00 178.09 3gd6 h GLU 327 N 0.00 0.00 0.00 1.05 4.39 -1.40 -2.77 114.58 115.86 3gd6 h GLU 327 Ca 0.20 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.90 3gd6 h GLU 327 Cb 0.92 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.57 3gd6 h GLU 327 CO -0.00 0.00 -0.04 -0.07 -1.16 0.00 0.00 179.01 177.74 3gd6 h LEU 328 N 0.00 0.00 -9.11 1.33 4.07 -1.19 -3.46 115.31 106.94 3gd6 h LEU 328 Ca 0.00 -0.00 -0.59 0.00 0.08 0.00 0.00 57.88 57.37 3gd6 h LEU 328 Cb 0.37 0.00 -0.15 0.00 1.08 0.00 0.00 40.66 41.96 3gd6 h LEU 328 CO 0.00 0.00 -0.77 -0.31 -1.08 0.00 0.00 178.44 176.28 3gd6 s TYR 329 N -3.21 2.19 -0.14 1.13 2.02 -1.04 -2.36 117.35 115.94 3gd6 s TYR 329 Ca 0.07 -0.37 -0.15 0.00 -0.37 0.00 0.00 57.07 56.24 3gd6 s TYR 329 Cb 0.05 -0.99 -0.24 0.00 -0.40 0.00 0.00 41.96 40.38 3gd6 s TYR 329 CO 0.67 0.61 0.40 -0.39 -1.57 0.00 0.00 175.55 175.27 3gd6 h VAL 330 N 2.56 0.89 -6.36 0.71 -1.51 -1.83 -3.48 116.25 107.23 3gd6 h VAL 330 Ca -0.41 -2.31 -0.52 0.00 -1.23 0.00 0.00 66.70 62.23 3gd6 h VAL 330 Cb 1.24 2.52 0.00 0.00 -2.13 0.00 0.00 31.29 32.92 3gd6 h VAL 330 CO 0.57 0.64 -0.14 0.61 -1.23 0.00 0.00 177.57 178.02 3gd6 n GLY 331 N 1.72 2.22 0.00 5.19 0.00 -1.26 -5.14 105.19 107.92 3gd6 n GLY 331 Ca -0.29 -2.25 0.00 0.00 0.00 0.00 0.00 46.02 43.48 3gd6 n GLY 331 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3gd6 n ASP 332 N -2.16 0.00 -0.57 1.61 4.64 -1.26 -5.03 116.55 113.78 3gd6 n ASP 332 Ca 0.10 -0.77 0.06 0.00 -1.38 0.00 0.00 54.79 52.80 3gd6 n ASP 332 Cb 0.61 0.00 0.13 0.00 -1.04 0.00 0.00 41.12 40.82 3gd6 n ASP 332 CO 0.00 0.00 0.00 1.33 -0.82 0.00 0.00 177.20 177.71 3gd6 n VAL 333 N 0.00 1.47 -4.47 5.18 0.24 -1.26 -4.84 118.33 114.65 3gd6 n VAL 333 Ca 0.00 -2.16 -0.25 0.00 -2.04 0.00 0.00 64.34 59.89 3gd6 n VAL 333 Cb 0.00 0.06 -0.10 0.00 -1.47 0.00 0.00 33.84 32.33 3gd6 n VAL 333 CO 0.00 0.00 0.00 0.68 -2.14 0.00 0.00 176.83 175.37 3gd6 s VAL 334 N -2.18 2.46 0.08 3.34 -7.23 -1.26 -0.31 120.40 115.29 3gd6 s VAL 334 Ca 0.31 -2.19 -0.17 0.00 -1.81 0.00 0.00 61.98 58.12 3gd6 s VAL 334 Cb 0.30 -2.60 -0.11 0.00 0.56 0.00 0.00 36.38 34.53 3gd6 s VAL 334 CO -0.05 -0.26 1.39 0.11 -0.31 0.00 0.00 175.10 175.98 3gd6 h LYS 335 N 2.03 0.59 -3.59 4.82 1.57 -1.17 -3.42 116.57 117.40 3gd6 h LYS 335 Ca -0.42 -0.32 -0.35 0.00 -1.87 0.00 0.00 60.65 57.69 3gd6 h LYS 335 Cb 1.25 0.01 -0.36 0.00 0.08 0.00 0.00 32.23 33.22 3gd6 h LYS 335 CO 0.66 0.92 -0.74 -0.80 -0.57 0.00 0.00 179.45 178.91 3gd6 s ASN 336 N -6.43 0.65 0.69 0.86 -0.87 -1.26 -5.08 114.94 103.50 3gd6 s ASN 336 Ca -0.13 0.00 -0.11 0.00 -1.57 0.00 0.00 52.86 51.05 3gd6 s ASN 336 Cb 0.07 -0.20 0.00 0.00 -0.02 0.00 0.00 41.25 41.11 3gd6 s ASN 336 CO 0.81 -0.15 1.08 -0.13 -2.57 0.00 0.00 177.10 176.14 3gd6 s ARG 337 N 1.39 3.00 0.71 -0.60 0.52 -1.26 -4.68 118.95 118.03 3gd6 s ARG 337 Ca -0.05 0.55 -0.16 0.00 -0.52 0.00 0.00 55.73 55.56 3gd6 s ARG 337 Cb -0.13 -2.03 0.03 0.00 0.52 0.00 0.00 34.95 33.34 3gd6 s ARG 337 CO -0.03 -0.96 1.23 0.14 0.02 0.00 0.00 175.30 175.71 3gd6 s VAL 338 N -3.30 2.23 -0.19 3.52 -7.23 -1.26 -4.98 120.40 109.18 3gd6 s VAL 338 Ca 0.58 0.12 -0.10 0.00 -1.81 0.00 0.00 61.98 60.77 3gd6 s VAL 338 Cb -0.11 -2.79 -0.05 0.00 0.56 0.00 0.00 36.38 33.99 3gd6 s VAL 338 CO 0.52 -0.05 0.12 0.42 -0.31 0.00 0.00 175.10 175.81 3gd6 s THR 339 N -1.83 5.36 -0.13 5.32 -4.23 -1.26 -5.04 115.64 113.83 3gd6 s THR 339 Ca 0.76 0.17 0.03 0.00 -1.18 0.00 0.00 61.69 61.47 3gd6 s THR 339 Cb -0.31 -3.44 0.01 0.00 1.34 0.00 0.00 72.50 70.10 3gd6 s THR 339 CO 0.44 0.45 -0.22 -0.31 -0.54 0.00 0.00 174.62 174.44 3gd6 s TYR 340 N 0.28 2.66 -0.14 3.99 2.02 -1.26 -1.39 117.35 123.50 3gd6 s TYR 340 Ca 0.08 -1.28 -0.07 0.00 -0.37 0.00 0.00 57.07 55.43 3gd6 s TYR 340 Cb -0.11 -1.80 0.06 0.00 -0.40 0.00 0.00 41.96 39.70 3gd6 s TYR 340 CO -0.01 -0.57 0.33 0.21 -1.57 0.00 0.00 175.55 173.93 3gd6 s LYS 341 N 0.73 0.29 -1.61 -0.62 2.47 -0.63 -4.88 119.74 115.49 3gd6 s LYS 341 Ca -0.09 0.70 -0.03 0.00 -1.56 0.00 0.00 55.97 54.99 3gd6 s LYS 341 Cb -0.16 -0.04 0.01 0.00 -1.46 0.00 0.00 37.83 36.18 3gd6 s LYS 341 CO -0.00 -0.18 0.36 -0.25 0.16 0.00 0.00 175.35 175.44 3gd6 n ASP 342 N 4.42 -5.87 -0.56 1.43 10.43 -1.26 -1.80 116.55 123.35 3gd6 n ASP 342 Ca -0.22 -0.17 -0.07 0.00 2.57 0.00 0.00 54.79 56.90 3gd6 n ASP 342 Cb 0.53 -4.80 -0.02 0.00 1.84 0.00 0.00 41.12 38.67 3gd6 n ASP 342 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3gd6 n GLY 343 N -1.30 0.71 3.33 0.44 0.00 -0.72 -4.82 105.19 102.83 3gd6 n GLY 343 Ca -0.16 -0.73 -0.30 0.00 0.00 0.00 0.00 46.02 44.84 3gd6 n GLY 343 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3gd6 s TYR 344 N -2.26 2.28 -0.24 1.61 2.02 -0.74 -0.82 117.35 119.18 3gd6 s TYR 344 Ca 0.00 -0.41 -0.10 0.00 -0.37 0.00 0.00 57.07 56.19 3gd6 s TYR 344 Cb 0.00 -1.37 -0.05 0.00 -0.40 0.00 0.00 41.96 40.14 3gd6 s TYR 344 CO 0.00 0.11 0.14 -1.17 -1.57 0.00 0.00 175.55 173.06 3gd6 s LEU 345 N -1.19 3.96 0.01 -1.29 2.96 0.10 -1.61 118.68 121.63 3gd6 s LEU 345 Ca 0.11 0.03 -0.13 0.00 -0.22 0.00 0.00 54.13 53.92 3gd6 s LEU 345 Cb -0.10 -2.07 -0.06 0.00 0.50 0.00 0.00 46.19 44.47 3gd6 s LEU 345 CO 0.02 0.03 0.39 -0.31 -1.32 0.00 0.00 176.35 175.16 3gd6 s TYR 346 N 1.23 3.69 0.38 5.38 2.02 -0.49 -1.10 117.35 128.46 3gd6 s TYR 346 Ca 0.07 0.92 -0.26 0.00 -0.37 0.00 0.00 57.07 57.43 3gd6 s TYR 346 Cb -0.14 -2.24 -0.09 0.00 -0.40 0.00 0.00 41.96 39.09 3gd6 s TYR 346 CO 0.06 0.63 1.13 0.00 -1.57 0.00 0.00 175.55 175.79 3gd6 s ALA 347 N -1.14 3.19 0.68 3.71 0.00 -0.75 -4.54 121.76 122.91 3gd6 s ALA 347 Ca 0.25 0.89 -0.17 0.00 0.00 0.00 0.00 51.96 52.93 3gd6 s ALA 347 Cb -0.16 -3.34 0.00 0.00 0.00 0.00 0.00 23.12 19.62 3gd6 s ALA 347 CO 0.14 -0.38 1.20 -2.30 0.00 0.00 0.00 175.76 174.41 3gd6 n PRO 348 N 0.25 0.85 -1.58 0.00 -0.02 -1.26 -4.79 135.00 128.45 3gd6 n PRO 348 Ca 0.03 0.35 -0.65 0.00 -2.02 0.00 0.00 63.50 61.21 3gd6 n PRO 348 Cb 0.47 -2.44 -0.11 0.00 -0.02 0.00 0.00 33.50 31.41 3gd6 n PRO 348 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 3gd6 n ASP 349 N -1.98 1.06 0.30 2.55 -0.08 -1.26 -4.80 116.55 112.33 3gd6 n ASP 349 Ca 0.15 1.02 0.20 0.00 -1.51 0.00 0.00 54.79 54.65 3gd6 n ASP 349 Cb 0.49 -0.88 0.94 0.00 2.34 0.00 0.00 41.12 44.01 3gd6 n ASP 349 CO 0.00 0.00 0.00 -0.09 0.12 0.00 0.00 177.20 177.23 3gd6 h ARG 350 N 6.19 0.00 -0.00 -0.67 2.43 -1.99 -2.20 114.38 118.14 3gd6 h ARG 350 Ca -0.33 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.84 3gd6 h ARG 350 Cb 1.37 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.92 3gd6 h ARG 350 CO 1.00 0.00 -0.09 -1.13 -1.51 0.00 0.00 179.97 178.25 3gd6 n SER 351 N -3.00 0.24 -4.56 -3.80 3.41 -1.26 -4.05 113.62 100.60 3gd6 n SER 351 Ca -0.01 -0.22 -0.40 0.00 -0.26 0.00 0.00 58.87 57.98 3gd6 n SER 351 Cb 0.17 -0.19 -0.09 0.00 -0.26 0.00 0.00 64.21 63.84 3gd6 n SER 351 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3gd6 s VAL 352 N -2.64 5.18 0.55 -3.33 1.01 -0.83 -4.96 120.40 115.38 3gd6 s VAL 352 Ca 0.25 0.14 -0.21 0.00 0.00 0.00 0.00 61.98 62.15 3gd6 s VAL 352 Cb 0.20 -3.78 -0.05 0.00 0.00 0.00 0.00 36.38 32.75 3gd6 s VAL 352 CO 0.50 -0.02 1.31 -1.59 0.00 0.00 0.00 175.10 175.29 3gd6 s LYS 353 N 2.00 3.16 1.57 2.72 -2.85 -1.26 -4.19 119.74 120.88 3gd6 s LYS 353 Ca 0.12 2.11 0.00 0.00 -1.00 0.00 0.00 55.97 57.19 3gd6 s LYS 353 Cb -0.16 -2.21 0.00 0.00 -2.06 0.00 0.00 37.83 33.40 3gd6 s LYS 353 CO 0.11 -1.13 0.00 0.41 0.10 0.00 0.00 175.35 174.84 3gd6 n GLY 354 N 0.68 -0.90 0.24 0.59 0.00 -0.01 -4.15 105.19 101.65 3gd6 n GLY 354 Ca 0.11 -1.48 0.10 0.00 0.00 0.00 0.00 46.02 44.75 3gd6 n GLY 354 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3gd6 h LEU 355 N 0.00 0.00 0.00 0.99 5.85 -1.84 -0.42 115.31 119.89 3gd6 h LEU 355 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 3gd6 h LEU 355 Cb 0.00 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.03 3gd6 h LEU 355 CO 0.00 0.17 0.00 0.61 -0.34 0.00 0.00 178.44 178.88 3gd6 n GLY 356 N -0.70 0.74 3.12 3.75 0.00 -1.26 -4.72 105.19 106.12 3gd6 n GLY 356 Ca -0.02 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.74 3gd6 n GLY 356 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3gd6 s ILE 357 N -2.45 1.40 0.01 -0.61 -1.09 -1.26 -4.76 121.20 112.44 3gd6 s ILE 357 Ca 0.00 -0.70 0.09 0.00 -2.23 0.00 0.00 60.65 57.81 3gd6 s ILE 357 Cb 0.00 -1.21 -0.02 0.00 -1.58 0.00 0.00 42.46 39.65 3gd6 s ILE 357 CO 0.00 0.41 -0.26 -0.70 -1.23 0.00 0.00 174.94 173.15 3gd6 s GLU 358 N 0.09 1.97 0.56 2.79 2.12 -1.26 -5.06 118.70 119.91 3gd6 s GLU 358 Ca -0.05 -1.00 -0.16 0.00 0.36 0.00 0.00 54.97 54.12 3gd6 s GLU 358 Cb -0.12 -2.01 -0.05 0.00 0.26 0.00 0.00 34.13 32.21 3gd6 s GLU 358 CO 0.02 0.54 1.03 -0.51 -0.54 0.00 0.00 175.26 175.80 3gd6 s LEU 359 N -0.87 3.55 -0.33 2.70 1.43 -1.26 -0.78 118.68 123.12 3gd6 s LEU 359 Ca 0.11 1.73 0.03 0.00 -1.03 0.00 0.00 54.13 54.97 3gd6 s LEU 359 Cb -0.10 -4.52 0.09 0.00 0.03 0.00 0.00 46.19 41.69 3gd6 s LEU 359 CO 0.00 -0.94 0.03 -0.62 0.23 0.00 0.00 176.35 175.05 3gd6 s ASP 360 N -2.87 4.74 0.38 2.29 3.68 0.58 -4.44 116.67 121.03 3gd6 s ASP 360 Ca 0.62 -1.99 0.15 0.00 2.13 0.00 0.00 52.55 53.45 3gd6 s ASP 360 Cb -0.14 -1.63 1.00 0.00 -1.45 0.00 0.00 42.92 40.70 3gd6 s ASP 360 CO 0.34 -0.35 1.81 -0.33 0.13 0.00 0.00 175.17 176.77 3gd6 h GLU 361 N 7.67 0.49 -0.50 4.34 4.39 -1.96 -0.46 114.58 128.54 3gd6 h GLU 361 Ca -0.08 -0.03 -0.07 0.00 0.34 0.00 0.00 59.36 59.53 3gd6 h GLU 361 Cb 1.03 -0.11 -0.02 0.00 -0.10 0.00 0.00 28.75 29.55 3gd6 h GLU 361 CO 0.52 0.32 0.05 0.66 -1.16 0.00 0.00 179.01 179.41 3gd6 h SER 362 N 0.50 0.82 0.33 1.42 4.64 -1.95 -1.80 113.55 117.51 3gd6 h SER 362 Ca 0.54 -0.28 -0.09 0.00 -0.47 0.00 0.00 61.79 61.49 3gd6 h SER 362 Cb 1.20 -0.22 -0.01 0.00 -0.31 0.00 0.00 62.40 63.06 3gd6 h SER 362 CO -0.27 0.89 -0.40 -0.07 -0.87 0.00 0.00 176.83 176.11 3gd6 h LEU 363 N 0.72 0.11 -0.39 5.97 3.38 -1.48 -1.51 115.31 122.11 3gd6 h LEU 363 Ca 0.15 -0.04 -0.04 0.00 0.09 0.00 0.00 57.88 58.04 3gd6 h LEU 363 Cb 0.44 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.14 3gd6 h LEU 363 CO 0.02 0.50 0.09 -0.07 0.09 0.00 0.00 178.44 179.06 3gd6 h LEU 364 N 0.09 0.59 -0.75 1.67 3.38 -0.74 -2.09 115.31 117.45 3gd6 h LEU 364 Ca 0.01 -0.24 -0.12 0.00 0.09 0.00 0.00 57.88 57.62 3gd6 h LEU 364 Cb 0.76 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.34 3gd6 h LEU 364 CO 0.06 0.68 -0.32 0.00 0.09 0.00 0.00 178.44 178.95 3gd6 h ALA 365 N 0.94 0.93 -0.74 1.53 0.00 -1.15 -2.08 119.26 118.69 3gd6 h ALA 365 Ca 0.12 -0.40 -0.01 0.00 0.00 0.00 0.00 54.91 54.63 3gd6 h ALA 365 Cb 0.33 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.96 3gd6 h ALA 365 CO 0.00 0.62 0.43 -0.22 0.00 0.00 0.00 179.25 180.08 3gd6 h LYS 366 N 0.50 1.02 -0.47 0.00 3.64 -1.03 -2.98 116.57 117.25 3gd6 h LYS 366 Ca 0.06 -0.10 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 3gd6 h LYS 366 Cb 0.80 -0.21 0.00 0.00 -0.41 0.00 0.00 32.23 32.41 3gd6 h LYS 366 CO 0.07 0.74 0.00 0.66 -2.27 0.00 0.00 179.45 178.64 3gd6 n TYR 367 N -4.49 0.62 -1.90 1.91 4.01 -0.81 -4.99 117.16 111.51 3gd6 n TYR 367 Ca 0.07 -0.31 -0.40 0.00 -0.16 0.00 0.00 57.90 57.10 3gd6 n TYR 367 Cb 0.07 0.00 0.01 0.00 -0.31 0.00 0.00 39.34 39.11 3gd6 n TYR 367 CO 0.00 0.00 0.00 -1.14 -0.46 0.00 0.00 176.86 175.26 3gd6 s GLN 368 N -1.38 3.76 0.05 -0.72 0.74 -0.79 0.19 119.66 121.51 3gd6 s GLN 368 Ca 0.40 2.30 0.03 0.00 0.05 0.00 0.00 55.36 58.14 3gd6 s GLN 368 Cb 0.23 -2.66 -0.03 0.00 1.10 0.00 0.00 33.01 31.65 3gd6 s GLN 368 CO 0.31 -0.72 -0.09 0.14 -0.55 0.00 0.00 175.29 174.38 3gd6 s VAL 369 N -1.24 0.67 0.42 1.34 -7.23 -0.76 -4.75 120.40 108.85 3gd6 s VAL 369 Ca 0.60 -1.19 0.15 0.00 -1.81 0.00 0.00 61.98 59.74 3gd6 s VAL 369 Cb -0.41 -0.78 0.17 0.00 0.56 0.00 0.00 36.38 35.92 3gd6 s VAL 369 CO 0.53 -0.39 1.96 1.55 -0.31 0.00 0.00 175.10 178.43 3gd6 h PRO 370 N 4.34 0.00 0.00 4.82 0.13 -1.96 -3.39 132.00 135.93 3gd6 h PRO 370 Ca -0.37 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.76 3gd6 h PRO 370 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 3gd6 h PRO 370 CO 0.42 0.23 0.03 -0.40 -0.23 0.00 0.00 178.00 178.05 3gd6 n ASP 371 N -4.18 -0.29 -1.25 1.44 5.68 -1.26 -4.96 116.55 111.73 3gd6 n ASP 371 Ca -0.02 -1.22 0.07 0.00 -0.50 0.00 0.00 54.79 53.12 3gd6 n ASP 371 Cb 0.29 0.49 0.30 0.00 -1.14 0.00 0.00 41.12 41.06 3gd6 n ASP 371 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 3gd6 n LEU 372 N 0.00 4.55 -4.73 -2.12 4.77 -1.26 -4.91 117.00 113.30 3gd6 n LEU 372 Ca -0.01 -3.05 -0.35 0.00 -0.03 0.00 0.00 56.01 52.57 3gd6 n LEU 372 Cb 0.08 -0.60 0.08 0.00 -2.33 0.00 0.00 43.42 40.65 3gd6 n LEU 372 CO 0.04 0.70 0.83 -0.55 -1.33 0.00 0.00 177.39 177.07 3gd6 s SER 373 N -1.60 4.42 0.00 -1.43 0.15 -1.26 -4.74 113.70 109.23 3gd6 s SER 373 Ca 0.47 2.42 0.28 0.00 0.70 0.00 0.00 55.95 59.82 3gd6 s SER 373 Cb 0.37 -2.60 1.70 0.00 -1.71 0.00 0.00 66.02 63.78 3gd6 s SER 373 CO 0.11 -2.12 2.04 0.79 1.20 0.00 0.00 173.24 175.25