#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gx1 n ARG 2 N 0.00 0.00 -4.20 3.49 1.74 -0.20 -0.09 116.66 117.40 1gx1 n ARG 2 Ca 0.00 0.00 -0.27 0.00 -0.77 0.00 0.00 57.85 56.81 1gx1 n ARG 2 Cb 0.00 0.00 -0.08 0.00 -1.02 0.00 0.00 32.46 31.36 1gx1 n ARG 2 CO 0.00 0.00 0.00 -1.50 -1.52 0.00 0.00 177.63 174.61 1gx1 s ILE 3 N -1.25 3.76 0.09 0.55 2.07 -1.26 -1.06 121.20 124.10 1gx1 s ILE 3 Ca 0.00 -1.38 -0.09 0.00 -1.41 0.00 0.00 60.65 57.77 1gx1 s ILE 3 Cb 0.00 -2.88 0.00 0.00 0.13 0.00 0.00 42.46 39.71 1gx1 s ILE 3 CO 0.00 -0.09 0.21 -0.83 -1.91 0.00 0.00 174.94 172.32 1gx1 s GLY 4 N -2.88 0.06 0.01 1.50 0.00 -0.47 -3.77 107.32 101.76 1gx1 s GLY 4 Ca 0.27 -0.56 -0.03 0.00 0.00 0.00 0.00 44.72 44.40 1gx1 s GLY 4 CO 0.19 -0.75 0.05 -1.58 0.00 0.00 0.00 173.10 171.01 1gx1 s HIS 5 N -3.81 0.12 0.04 1.90 5.04 -1.25 -1.58 115.29 115.75 1gx1 s HIS 5 Ca 0.04 -0.26 -0.05 0.00 -1.54 0.00 0.00 55.06 53.26 1gx1 s HIS 5 Cb 0.04 -0.10 -0.01 0.00 0.04 0.00 0.00 32.58 32.55 1gx1 s HIS 5 CO -0.11 -0.21 0.07 0.20 -2.34 0.00 0.00 174.74 172.36 1gx1 s GLY 6 N -1.20 0.21 -0.10 1.59 0.00 0.07 -3.79 107.32 104.10 1gx1 s GLY 6 Ca -0.13 -0.62 -0.09 0.00 0.00 0.00 0.00 44.72 43.88 1gx1 s GLY 6 CO 0.00 -0.75 0.27 -0.12 0.00 0.00 0.00 173.10 172.50 1gx1 s PHE 7 N -2.65 -0.31 0.10 1.90 5.36 -1.26 -1.14 117.98 119.97 1gx1 s PHE 7 Ca -0.05 0.74 -0.10 0.00 -0.96 0.00 0.00 56.93 56.56 1gx1 s PHE 7 Cb -0.01 0.10 0.01 0.00 -0.34 0.00 0.00 43.02 42.78 1gx1 s PHE 7 CO -0.05 -0.16 0.24 0.34 -1.46 0.00 0.00 175.22 174.13 1gx1 s ASP 8 N 0.33 0.04 -0.04 6.13 2.15 -0.22 -4.75 116.67 120.31 1gx1 s ASP 8 Ca -0.02 -0.57 -0.03 0.00 0.43 0.00 0.00 52.55 52.36 1gx1 s ASP 8 Cb -0.03 0.37 0.01 0.00 -0.30 0.00 0.00 42.92 42.97 1gx1 s ASP 8 CO -0.01 -0.75 0.10 -0.69 -0.17 0.00 0.00 175.17 173.64 1gx1 s VAL 9 N -3.82 -0.00 0.03 1.11 1.01 -1.26 -0.78 120.40 116.68 1gx1 s VAL 9 Ca 0.04 0.00 0.02 0.00 0.00 0.00 0.00 61.98 62.04 1gx1 s VAL 9 Cb 0.04 -0.14 -0.02 0.00 0.00 0.00 0.00 36.38 36.26 1gx1 s VAL 9 CO -0.11 0.00 -0.07 -1.00 0.00 0.00 0.00 175.10 173.92 1gx1 s HIS 10 N 0.06 0.56 0.20 5.22 3.76 -0.74 -5.01 115.29 119.35 1gx1 s HIS 10 Ca -0.00 -0.43 -0.12 0.00 -0.15 0.00 0.00 55.06 54.36 1gx1 s HIS 10 Cb -0.01 -0.35 -0.07 0.00 1.11 0.00 0.00 32.58 33.26 1gx1 s HIS 10 CO 0.00 -0.08 0.56 0.00 -0.85 0.00 0.00 174.74 174.36 1gx1 s ALA 11 N -1.16 3.56 0.45 -1.40 0.00 -1.26 -1.20 121.76 120.74 1gx1 s ALA 11 Ca -0.09 -0.20 -0.23 0.00 0.00 0.00 0.00 51.96 51.45 1gx1 s ALA 11 Cb -0.09 -2.49 -0.08 0.00 0.00 0.00 0.00 23.12 20.47 1gx1 s ALA 11 CO 0.00 0.48 1.09 -0.06 0.00 0.00 0.00 175.76 177.27 1gx1 s PHE 12 N -1.68 3.05 0.00 0.00 0.08 -0.32 0.07 117.98 119.18 1gx1 s PHE 12 Ca 0.44 1.59 0.00 0.00 0.12 0.00 0.00 56.93 59.08 1gx1 s PHE 12 Cb -0.13 -3.20 0.00 0.00 -0.57 0.00 0.00 43.02 39.12 1gx1 s PHE 12 CO 0.20 -1.00 0.00 0.41 -0.10 0.00 0.00 175.22 174.73 1gx1 n GLY 13 N 0.23 1.35 7.00 4.36 0.00 -0.10 -4.66 105.19 113.37 1gx1 n GLY 13 Ca 0.07 -0.67 0.00 0.00 0.00 0.00 0.00 46.02 45.42 1gx1 n GLY 13 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1gx1 n GLY 14 N -0.27 -0.90 3.93 -0.02 0.00 -1.26 -2.47 105.19 104.20 1gx1 n GLY 14 Ca 0.00 -1.15 -0.27 0.00 0.00 0.00 0.00 46.02 44.60 1gx1 n GLY 14 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1gx1 s GLU 15 N 0.00 3.50 1.19 1.61 -1.05 -1.26 -2.37 118.70 120.32 1gx1 s GLU 15 Ca 0.00 -0.40 -0.20 0.00 -0.15 0.00 0.00 54.97 54.22 1gx1 s GLU 15 Cb 0.00 -2.88 0.29 0.00 -0.44 0.00 0.00 34.13 31.10 1gx1 s GLU 15 CO 0.00 0.45 1.16 0.20 0.95 0.00 0.00 175.26 178.02 1gx1 s GLY 16 N -3.11 1.63 0.94 -3.83 0.00 -1.23 -2.95 107.32 98.77 1gx1 s GLY 16 Ca 0.37 -1.11 -0.15 0.00 0.00 0.00 0.00 44.72 43.84 1gx1 s GLY 16 CO 0.29 -0.19 1.24 2.56 0.00 0.00 0.00 173.10 176.99 1gx1 s PRO 17 N -5.58 0.87 0.25 2.90 0.04 -1.26 -4.85 135.00 127.37 1gx1 s PRO 17 Ca 0.73 -0.15 0.03 0.00 0.04 0.00 0.00 61.00 61.65 1gx1 s PRO 17 Cb -0.07 -1.85 -0.03 0.00 0.04 0.00 0.00 34.50 32.59 1gx1 s PRO 17 CO 0.55 -2.30 0.40 0.96 0.04 0.00 0.00 177.00 176.65 1gx1 s ILE 18 N -3.65 5.23 -0.21 0.56 -4.36 -0.22 -4.61 121.20 113.94 1gx1 s ILE 18 Ca 0.69 -0.80 0.01 0.00 -0.26 0.00 0.00 60.65 60.29 1gx1 s ILE 18 Cb -0.08 -3.84 0.03 0.00 1.25 0.00 0.00 42.46 39.82 1gx1 s ILE 18 CO 0.52 -0.35 -0.15 -0.63 0.24 0.00 0.00 174.94 174.58 1gx1 s ILE 19 N -2.02 2.30 -0.06 8.37 1.01 -1.26 -0.53 121.20 129.00 1gx1 s ILE 19 Ca 0.36 -1.06 -0.00 0.00 0.00 0.00 0.00 60.65 59.94 1gx1 s ILE 19 Cb -0.09 -2.08 0.03 0.00 0.01 0.00 0.00 42.46 40.32 1gx1 s ILE 19 CO 0.30 0.37 -0.01 -0.63 0.00 0.00 0.00 174.94 174.97 1gx1 s ILE 20 N 1.27 0.40 -1.54 2.92 -1.09 -0.56 -4.06 121.20 118.54 1gx1 s ILE 20 Ca 0.02 0.05 0.00 0.00 -2.23 0.00 0.00 60.65 58.48 1gx1 s ILE 20 Cb -0.15 -0.51 0.00 0.00 -1.58 0.00 0.00 42.46 40.22 1gx1 s ILE 20 CO -0.09 0.24 0.00 0.61 -1.23 0.00 0.00 174.94 174.46 1gx1 n GLY 21 N 4.71 -0.19 2.99 6.18 0.00 -1.26 -1.09 105.19 116.53 1gx1 n GLY 21 Ca -0.15 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 45.73 1gx1 n GLY 21 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1gx1 n GLY 22 N -1.00 0.92 3.60 -0.02 0.00 -1.26 -4.78 105.19 102.65 1gx1 n GLY 22 Ca -0.21 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.47 1gx1 n GLY 22 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1gx1 s VAL 23 N -3.72 4.41 -0.14 1.61 1.01 -0.25 -5.07 120.40 118.25 1gx1 s VAL 23 Ca 0.00 -0.18 -0.29 0.00 0.00 0.00 0.00 61.98 61.51 1gx1 s VAL 23 Cb 0.00 -2.95 -0.01 0.00 0.00 0.00 0.00 36.38 33.42 1gx1 s VAL 23 CO 0.00 0.50 1.20 -0.13 0.00 0.00 0.00 175.10 176.67 1gx1 s ARG 24 N 0.12 4.28 -0.18 2.72 0.52 -1.26 -1.50 118.95 123.65 1gx1 s ARG 24 Ca 0.02 1.60 -0.00 0.00 -0.52 0.00 0.00 55.73 56.84 1gx1 s ARG 24 Cb -0.13 -3.68 0.00 0.00 0.52 0.00 0.00 34.95 31.66 1gx1 s ARG 24 CO 0.02 -0.61 -0.15 0.42 0.02 0.00 0.00 175.30 175.00 1gx1 s ILE 25 N 3.05 2.60 0.32 1.52 1.01 0.31 -4.96 121.20 125.06 1gx1 s ILE 25 Ca 0.53 -0.77 -0.29 0.00 0.00 0.00 0.00 60.65 60.12 1gx1 s ILE 25 Cb -0.21 -2.12 -0.12 0.00 0.01 0.00 0.00 42.46 40.02 1gx1 s ILE 25 CO 0.15 0.50 1.50 -2.65 0.00 0.00 0.00 174.94 174.45 1gx1 n PRO 26 N 4.39 2.54 -3.55 2.79 -0.02 -1.26 -1.06 135.00 138.84 1gx1 n PRO 26 Ca -0.19 0.90 -0.11 0.00 -2.02 0.00 0.00 63.50 62.07 1gx1 n PRO 26 Cb 0.51 -2.62 -0.04 0.00 -0.02 0.00 0.00 33.50 31.33 1gx1 n PRO 26 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 1gx1 s TYR 27 N -0.51 -0.40 -0.05 6.00 5.04 -1.26 -4.85 117.35 121.32 1gx1 s TYR 27 Ca 0.60 0.57 0.30 0.00 -2.44 0.00 0.00 57.07 56.09 1gx1 s TYR 27 Cb -0.52 0.47 1.40 0.00 0.35 0.00 0.00 41.96 43.67 1gx1 s TYR 27 CO 0.55 -0.44 1.90 1.05 -1.34 0.00 0.00 175.55 177.27 1gx1 h GLU 28 N 2.44 0.00 -5.00 4.97 9.09 -1.96 -3.27 114.58 120.85 1gx1 h GLU 28 Ca -0.21 0.00 -0.31 0.00 0.05 0.00 0.00 59.36 58.89 1gx1 h GLU 28 Cb 1.18 0.00 -0.15 0.00 -1.65 0.00 0.00 28.75 28.13 1gx1 h GLU 28 CO 0.32 0.00 -0.71 0.15 0.05 0.00 0.00 179.01 178.82 1gx1 s LYS 29 N -3.62 1.00 0.16 1.06 1.02 -1.26 -4.28 119.74 113.81 1gx1 s LYS 29 Ca 0.00 -1.40 0.02 0.00 0.02 0.00 0.00 55.97 54.62 1gx1 s LYS 29 Cb 0.09 -0.55 0.03 0.00 -0.52 0.00 0.00 37.83 36.88 1gx1 s LYS 29 CO 0.39 0.06 0.22 0.41 -0.92 0.00 0.00 175.35 175.52 1gx1 n GLY 30 N -0.08 1.77 3.41 -3.33 0.00 -1.00 -3.75 105.19 102.22 1gx1 n GLY 30 Ca -0.11 -2.13 -0.34 0.00 0.00 0.00 0.00 46.02 43.43 1gx1 n GLY 30 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1gx1 s LEU 31 N 0.00 3.07 0.18 0.99 1.43 -1.24 -0.92 118.68 122.19 1gx1 s LEU 31 Ca 0.16 -0.26 -0.30 0.00 -1.03 0.00 0.00 54.13 52.70 1gx1 s LEU 31 Cb -0.01 -1.76 -0.08 0.00 0.03 0.00 0.00 46.19 44.37 1gx1 s LEU 31 CO 0.10 0.08 1.14 -0.76 0.23 0.00 0.00 176.35 177.15 1gx1 s LEU 32 N 0.90 4.47 -0.20 1.79 1.43 0.11 -4.69 118.68 122.49 1gx1 s LEU 32 Ca -0.00 2.16 -0.35 0.00 -1.03 0.00 0.00 54.13 54.91 1gx1 s LEU 32 Cb -0.15 -3.61 0.14 0.00 0.03 0.00 0.00 46.19 42.61 1gx1 s LEU 32 CO 0.01 -0.29 1.22 0.00 0.23 0.00 0.00 176.35 177.53 1gx1 s ALA 33 N -0.18 -2.08 0.15 4.21 0.00 -1.26 -4.38 121.76 118.21 1gx1 s ALA 33 Ca 0.51 1.64 0.31 0.00 0.00 0.00 0.00 51.96 54.42 1gx1 s ALA 33 Cb -0.31 -0.26 1.30 0.00 0.00 0.00 0.00 23.12 23.85 1gx1 s ALA 33 CO 0.36 -0.55 1.96 0.45 0.00 0.00 0.00 175.76 177.98 1gx1 h HIS 34 N 2.02 0.00 -3.27 0.00 3.86 -2.02 -3.45 115.15 112.29 1gx1 h HIS 34 Ca -0.09 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.12 1gx1 h HIS 34 Cb 1.16 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.63 1gx1 h HIS 34 CO 0.28 0.06 0.00 -1.13 0.86 0.00 0.00 177.93 178.00 1gx1 n SER 35 N -3.20 0.70 0.00 2.45 3.41 -1.26 -4.83 113.62 110.89 1gx1 n SER 35 Ca 0.00 -0.27 0.13 0.00 -0.26 0.00 0.00 58.87 58.47 1gx1 n SER 35 Cb 0.32 0.00 0.65 0.00 -0.26 0.00 0.00 64.21 64.92 1gx1 n SER 35 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1gx1 n ASP 36 N -0.62 0.00 -1.24 4.04 5.68 -1.26 -4.90 116.55 118.24 1gx1 n ASP 36 Ca 0.00 0.05 -0.11 0.00 -0.50 0.00 0.00 54.79 54.22 1gx1 n ASP 36 Cb 0.00 -0.34 -0.01 0.00 -1.14 0.00 0.00 41.12 39.63 1gx1 n ASP 36 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1gx1 n GLY 37 N 1.05 0.05 3.56 6.12 0.00 -1.26 -4.60 105.19 110.10 1gx1 n GLY 37 Ca 0.11 -0.42 -0.39 0.00 0.00 0.00 0.00 46.02 45.32 1gx1 n GLY 37 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1gx1 s ASP 38 N -2.53 6.19 0.32 1.61 -1.08 -1.26 -4.83 116.67 115.10 1gx1 s ASP 38 Ca 0.00 -0.99 0.03 0.00 -0.52 0.00 0.00 52.55 51.07 1gx1 s ASP 38 Cb 0.00 -2.56 0.53 0.00 -1.46 0.00 0.00 42.92 39.43 1gx1 s ASP 38 CO 0.00 -1.78 1.83 -0.37 0.52 0.00 0.00 175.17 175.37 1gx1 h VAL 39 N 6.64 1.21 -0.08 1.11 -1.51 -1.92 -1.24 116.25 120.46 1gx1 h VAL 39 Ca 0.03 -0.89 -0.01 0.00 -1.23 0.00 0.00 66.70 64.60 1gx1 h VAL 39 Cb 1.03 0.99 -0.00 0.00 -2.13 0.00 0.00 31.29 31.18 1gx1 h VAL 39 CO 1.35 0.30 0.02 0.00 -1.23 0.00 0.00 177.57 178.01 1gx1 h ALA 40 N 1.43 0.10 -0.41 5.19 0.00 -1.89 -1.52 119.26 122.17 1gx1 h ALA 40 Ca 0.11 -0.14 -0.08 0.00 0.00 0.00 0.00 54.91 54.79 1gx1 h ALA 40 Cb 0.40 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 1gx1 h ALA 40 CO 0.02 -0.26 -0.09 -0.07 0.00 0.00 0.00 179.25 178.85 1gx1 h LEU 41 N -0.10 0.69 -0.19 0.00 3.38 -1.87 -1.17 115.31 116.05 1gx1 h LEU 41 Ca 0.02 -0.19 0.01 0.00 0.09 0.00 0.00 57.88 57.82 1gx1 h LEU 41 Cb 0.27 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 1gx1 h LEU 41 CO 0.00 0.81 0.09 0.45 0.09 0.00 0.00 178.44 179.89 1gx1 h HIS 42 N 0.65 0.17 -0.48 1.13 3.86 -1.17 0.54 115.15 119.85 1gx1 h HIS 42 Ca 0.12 0.01 -0.02 0.00 -1.16 0.00 0.00 60.37 59.31 1gx1 h HIS 42 Cb 0.53 -0.05 -0.02 0.00 1.06 0.00 0.00 27.41 28.93 1gx1 h HIS 42 CO 0.02 0.10 0.21 0.00 0.86 0.00 0.00 177.93 179.13 1gx1 h ALA 43 N 1.10 0.61 -0.65 2.45 0.00 -1.14 0.23 119.26 121.86 1gx1 h ALA 43 Ca 0.08 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 1gx1 h ALA 43 Cb 0.02 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.59 1gx1 h ALA 43 CO -0.05 0.19 0.31 1.25 0.00 0.00 0.00 179.25 180.95 1gx1 h LEU 44 N 0.62 0.86 -0.72 0.00 5.85 -1.07 -0.28 115.31 120.57 1gx1 h LEU 44 Ca 0.16 -0.13 -0.00 0.00 0.84 0.00 0.00 57.88 58.75 1gx1 h LEU 44 Cb 0.15 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 40.92 1gx1 h LEU 44 CO -0.02 0.75 0.44 0.74 -0.34 0.00 0.00 178.44 180.01 1gx1 h THR 45 N 0.90 1.20 -0.65 1.05 2.02 -0.58 -0.84 112.91 116.02 1gx1 h THR 45 Ca 0.22 -0.44 -0.06 0.00 0.77 0.00 0.00 66.41 66.91 1gx1 h THR 45 Cb 0.12 0.19 -0.03 0.00 -1.74 0.00 0.00 68.15 66.70 1gx1 h THR 45 CO -0.03 0.21 0.18 0.44 0.37 0.00 0.00 175.52 176.69 1gx1 h ASP 46 N 0.98 0.93 -0.76 4.18 3.32 -0.49 -0.22 116.42 124.36 1gx1 h ASP 46 Ca 0.26 -0.17 -0.06 0.00 0.02 0.00 0.00 57.03 57.08 1gx1 h ASP 46 Cb -0.04 -0.24 -0.03 0.00 0.22 0.00 0.00 39.33 39.23 1gx1 h ASP 46 CO -0.05 0.89 0.25 0.00 -1.72 0.00 0.00 179.24 178.61 1gx1 h ALA 47 N 1.24 1.00 -0.09 3.45 0.00 -0.49 0.34 119.26 124.70 1gx1 h ALA 47 Ca 0.21 -0.22 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 1gx1 h ALA 47 Cb 0.30 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 1gx1 h ALA 47 CO -0.00 0.67 -0.14 -0.07 0.00 0.00 0.00 179.25 179.71 1gx1 h LEU 48 N 1.13 0.29 -1.27 0.00 3.38 -0.81 -1.30 115.31 116.73 1gx1 h LEU 48 Ca 0.25 -0.53 0.00 0.00 0.09 0.00 0.00 57.88 57.70 1gx1 h LEU 48 Cb 0.29 -0.08 -0.04 0.00 0.09 0.00 0.00 40.66 40.92 1gx1 h LEU 48 CO -0.01 0.76 0.47 -0.07 0.09 0.00 0.00 178.44 179.67 1gx1 h LEU 49 N -0.18 0.84 -0.51 1.67 3.38 -0.98 -2.12 115.31 117.41 1gx1 h LEU 49 Ca 0.01 -0.03 -0.03 0.00 0.09 0.00 0.00 57.88 57.92 1gx1 h LEU 49 Cb 0.69 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.21 1gx1 h LEU 49 CO 0.03 0.62 0.21 1.23 0.09 0.00 0.00 178.44 180.62 1gx1 h GLY 50 N 0.99 0.81 1.94 0.83 0.00 -0.11 -0.76 103.07 106.77 1gx1 h GLY 50 Ca 0.26 -0.44 -0.03 0.00 0.00 0.00 0.00 47.33 47.13 1gx1 h GLY 50 CO -0.06 0.41 -0.08 0.00 0.00 0.00 0.00 176.54 176.81 1gx1 h ALA 51 N 1.05 1.76 -0.26 3.60 0.00 -0.86 -2.03 119.26 122.54 1gx1 h ALA 51 Ca 0.17 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1gx1 h ALA 51 Cb 0.19 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1gx1 h ALA 51 CO -0.01 0.18 0.00 0.00 0.00 0.00 0.00 179.25 179.42 1gx1 n ALA 52 N -2.51 2.48 -3.96 0.00 0.00 -0.83 -4.66 120.51 111.03 1gx1 n ALA 52 Ca -0.02 -0.68 -0.31 0.00 0.00 0.00 0.00 53.44 52.43 1gx1 n ALA 52 Cb 0.19 -1.01 0.02 0.00 0.00 0.00 0.00 19.45 18.64 1gx1 n ALA 52 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1gx1 n ALA 53 N 0.72 -1.36 0.08 0.00 0.00 -0.68 -4.90 120.51 114.38 1gx1 n ALA 53 Ca 0.17 0.11 0.10 0.00 0.00 0.00 0.00 53.44 53.82 1gx1 n ALA 53 Cb 0.42 -4.01 0.21 0.00 0.00 0.00 0.00 19.45 16.07 1gx1 n ALA 53 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1gx1 n LEU 54 N -4.59 3.32 0.00 0.00 4.77 -0.38 -5.04 117.00 115.09 1gx1 n LEU 54 Ca 0.01 -1.65 0.00 0.00 -0.03 0.00 0.00 56.01 54.34 1gx1 n LEU 54 Cb 0.54 -0.27 0.00 0.00 -2.33 0.00 0.00 43.42 41.35 1gx1 n LEU 54 CO 0.77 0.76 0.00 0.61 -1.33 0.00 0.00 177.39 178.20 1gx1 n GLY 55 N 1.26 0.90 3.69 -0.72 0.00 -1.25 -4.82 105.19 104.24 1gx1 n GLY 55 Ca 0.18 -1.08 -0.08 0.00 0.00 0.00 0.00 46.02 45.03 1gx1 n GLY 55 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1gx1 s ASP 56 N -4.00 -0.16 0.50 1.61 1.47 -1.26 -4.21 116.67 110.61 1gx1 s ASP 56 Ca 0.00 -0.79 0.17 0.00 1.18 0.00 0.00 52.55 53.11 1gx1 s ASP 56 Cb 0.00 0.64 1.23 0.00 -0.34 0.00 0.00 42.92 44.44 1gx1 s ASP 56 CO 0.00 -1.21 2.07 0.16 0.68 0.00 0.00 175.17 176.87 1gx1 h ILE 57 N 2.16 0.93 -0.03 2.11 3.07 -1.92 -1.25 117.51 122.58 1gx1 h ILE 57 Ca -0.24 -0.04 -0.13 0.00 1.55 0.00 0.00 64.86 66.00 1gx1 h ILE 57 Cb 1.25 0.80 -0.02 0.00 -0.27 0.00 0.00 36.82 38.58 1gx1 h ILE 57 CO 0.31 0.02 -0.58 1.23 -1.05 0.00 0.00 178.15 178.08 1gx1 h GLY 58 N 0.12 0.11 1.08 0.16 0.00 -1.97 0.66 103.07 103.24 1gx1 h GLY 58 Ca 0.12 -0.13 -0.17 0.00 0.00 0.00 0.00 47.33 47.15 1gx1 h GLY 58 CO -0.02 0.12 -0.53 1.70 0.00 0.00 0.00 176.54 177.82 1gx1 h LYS 59 N 0.08 0.78 0.20 4.80 3.64 -1.62 -3.09 116.57 121.36 1gx1 h LYS 59 Ca -0.00 -0.52 -0.30 0.00 -1.27 0.00 0.00 60.65 58.55 1gx1 h LYS 59 Cb 1.05 0.07 0.03 0.00 -0.41 0.00 0.00 32.23 32.97 1gx1 h LYS 59 CO 0.08 1.15 -1.31 -0.07 -2.27 0.00 0.00 179.45 177.03 1gx1 h LEU 60 N 0.53 0.80 -5.80 5.20 4.07 -1.32 -3.40 115.31 115.39 1gx1 h LEU 60 Ca 0.00 -0.89 -0.57 0.00 0.08 0.00 0.00 57.88 56.49 1gx1 h LEU 60 Cb 1.14 -0.26 -0.41 0.00 1.08 0.00 0.00 40.66 42.21 1gx1 h LEU 60 CO 0.12 1.63 -0.76 0.49 -1.08 0.00 0.00 178.44 178.84 1gx1 n PHE 61 N -3.81 2.80 -1.67 1.13 3.72 0.23 -5.10 117.46 114.77 1gx1 n PHE 61 Ca -0.16 -3.97 -0.45 0.00 -0.05 0.00 0.00 57.45 52.83 1gx1 n PHE 61 Cb 1.03 -0.49 -0.02 0.00 -0.94 0.00 0.00 39.48 39.05 1gx1 n PHE 61 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 176.76 174.41 1gx1 n PRO 62 N 0.43 2.02 0.12 -1.08 -0.02 -1.17 -4.65 135.00 130.65 1gx1 n PRO 62 Ca 0.28 0.72 0.08 0.00 -2.02 0.00 0.00 63.50 62.57 1gx1 n PRO 62 Cb 0.45 -2.36 0.43 0.00 -0.02 0.00 0.00 33.50 32.00 1gx1 n PRO 62 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1gx1 n ASP 63 N 2.01 0.41 0.11 2.55 8.00 -1.26 -1.26 116.55 127.11 1gx1 n ASP 63 Ca 0.11 0.69 -0.23 0.00 0.71 0.00 0.00 54.79 56.06 1gx1 n ASP 63 Cb 0.32 -0.74 -0.14 0.00 -0.02 0.00 0.00 41.12 40.53 1gx1 n ASP 63 CO 0.00 0.00 0.00 0.74 -0.39 0.00 0.00 177.20 177.55 1gx1 h THR 64 N 0.00 1.30 -3.07 -3.53 2.02 -1.97 -3.46 112.91 104.20 1gx1 h THR 64 Ca 0.00 -2.56 -0.56 0.00 0.77 0.00 0.00 66.41 64.07 1gx1 h THR 64 Cb 0.02 2.88 -0.03 0.00 -1.74 0.00 0.00 68.15 69.28 1gx1 h THR 64 CO 0.00 0.77 0.73 -0.62 0.37 0.00 0.00 175.52 176.77 1gx1 s ASP 65 N -7.45 7.05 0.57 4.18 -1.08 -0.39 -4.93 116.67 114.62 1gx1 s ASP 65 Ca -0.10 1.75 0.34 0.00 -0.52 0.00 0.00 52.55 54.02 1gx1 s ASP 65 Cb 0.04 -2.55 1.72 0.00 -1.46 0.00 0.00 42.92 40.67 1gx1 s ASP 65 CO 0.93 -0.61 2.15 -0.65 0.52 0.00 0.00 175.17 177.51 1gx1 h PRO 66 N 7.57 0.00 -0.28 4.34 0.11 -1.89 -2.90 132.00 138.94 1gx1 h PRO 66 Ca -0.32 0.00 0.08 0.00 0.11 0.00 0.00 66.00 65.87 1gx1 h PRO 66 Cb 1.14 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.24 1gx1 h PRO 66 CO 0.90 0.06 0.20 0.00 -0.21 0.00 0.00 178.00 178.95 1gx1 h ALA 67 N 1.94 2.26 -0.66 -0.75 0.00 -1.94 -1.46 119.26 118.65 1gx1 h ALA 67 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1gx1 h ALA 67 Cb 0.26 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1gx1 h ALA 67 CO 0.01 -0.34 0.00 1.19 0.00 0.00 0.00 179.25 180.11 1gx1 n PHE 68 N -4.46 0.88 -1.88 0.00 3.72 -1.10 -4.92 117.46 109.71 1gx1 n PHE 68 Ca 0.04 -0.50 -0.42 0.00 -0.05 0.00 0.00 57.45 56.52 1gx1 n PHE 68 Cb 0.36 -0.01 -0.03 0.00 -0.94 0.00 0.00 39.48 38.87 1gx1 n PHE 68 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 176.76 176.92 1gx1 s LYS 69 N -1.01 4.19 0.00 -1.08 2.20 -0.55 -1.97 119.74 121.52 1gx1 s LYS 69 Ca 0.44 2.44 0.00 0.00 -0.36 0.00 0.00 55.97 58.49 1gx1 s LYS 69 Cb 0.23 -3.10 0.00 0.00 -1.51 0.00 0.00 37.83 33.45 1gx1 s LYS 69 CO 0.30 -0.60 0.00 0.41 -0.36 0.00 0.00 175.35 175.10 1gx1 n GLY 70 N 3.14 0.65 3.77 5.54 0.00 -1.26 -5.00 105.19 112.03 1gx1 n GLY 70 Ca 0.12 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.73 1gx1 n GLY 70 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gx1 s ALA 71 N -2.91 3.57 0.56 4.61 0.00 -0.83 -5.01 121.76 121.74 1gx1 s ALA 71 Ca 0.00 1.49 -0.02 0.00 0.00 0.00 0.00 51.96 53.43 1gx1 s ALA 71 Cb 0.00 -3.58 0.02 0.00 0.00 0.00 0.00 23.12 19.56 1gx1 s ALA 71 CO 0.00 -0.95 0.82 0.16 0.00 0.00 0.00 175.76 175.79 1gx1 s ASP 72 N -0.17 5.42 0.42 0.00 1.47 -1.26 -4.70 116.67 117.83 1gx1 s ASP 72 Ca 0.53 0.31 0.13 0.00 1.18 0.00 0.00 52.55 54.70 1gx1 s ASP 72 Cb -0.45 -1.28 0.89 0.00 -0.34 0.00 0.00 42.92 41.74 1gx1 s ASP 72 CO 0.59 -1.08 1.93 0.28 0.68 0.00 0.00 175.17 177.57 1gx1 h SER 73 N -0.01 0.02 -0.11 2.11 0.02 -1.96 -1.52 113.55 112.10 1gx1 h SER 73 Ca -0.44 -0.00 -0.12 0.00 -0.84 0.00 0.00 61.79 60.38 1gx1 h SER 73 Cb 1.28 -0.01 -0.01 0.00 0.14 0.00 0.00 62.40 63.80 1gx1 h SER 73 CO 0.57 0.26 -0.32 0.03 -1.14 0.00 0.00 176.83 176.23 1gx1 h ARG 74 N 0.02 0.60 -0.82 3.45 3.08 -1.98 -0.21 114.38 118.53 1gx1 h ARG 74 Ca 0.00 -0.27 -0.04 0.00 0.07 0.00 0.00 59.98 59.74 1gx1 h ARG 74 Cb 0.44 -0.01 -0.04 0.00 0.08 0.00 0.00 29.97 30.44 1gx1 h ARG 74 CO 0.03 0.85 0.34 0.93 -1.07 0.00 0.00 179.97 181.05 1gx1 h GLU 75 N 0.51 1.21 -0.45 0.04 5.08 -1.73 0.08 114.58 119.32 1gx1 h GLU 75 Ca 0.06 -0.21 -0.10 0.00 -1.00 0.00 0.00 59.36 58.11 1gx1 h GLU 75 Cb 0.81 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.84 1gx1 h GLU 75 CO 0.07 0.96 -0.11 -0.07 -1.00 0.00 0.00 179.01 178.86 1gx1 h LEU 76 N 1.18 0.87 -0.65 1.33 3.38 -1.02 -1.59 115.31 118.81 1gx1 h LEU 76 Ca 0.27 -0.36 0.00 0.00 0.09 0.00 0.00 57.88 57.88 1gx1 h LEU 76 Cb 0.19 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.67 1gx1 h LEU 76 CO -0.03 1.03 0.41 0.25 0.09 0.00 0.00 178.44 180.19 1gx1 h LEU 77 N 0.70 0.77 -0.78 1.67 5.85 -0.75 -0.64 115.31 122.13 1gx1 h LEU 77 Ca 0.11 -0.05 -0.10 0.00 0.84 0.00 0.00 57.88 58.68 1gx1 h LEU 77 Cb 0.65 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.47 1gx1 h LEU 77 CO 0.04 0.59 -0.19 0.03 -0.34 0.00 0.00 178.44 178.57 1gx1 h ARG 78 N 0.88 0.73 -0.28 1.25 3.08 -0.82 -0.27 114.38 118.95 1gx1 h ARG 78 Ca 0.24 -0.27 -0.15 0.00 0.07 0.00 0.00 59.98 59.87 1gx1 h ARG 78 Cb -0.05 -0.05 -0.00 0.00 0.08 0.00 0.00 29.97 29.95 1gx1 h ARG 78 CO -0.05 0.86 -0.41 1.49 -1.07 0.00 0.00 179.97 180.80 1gx1 h GLU 79 N 0.65 0.77 -0.62 0.04 4.57 -1.02 0.47 114.58 119.43 1gx1 h GLU 79 Ca 0.10 -0.45 0.06 0.00 -1.18 0.00 0.00 59.36 57.89 1gx1 h GLU 79 Cb 0.67 0.04 -0.06 0.00 -0.16 0.00 0.00 28.75 29.24 1gx1 h GLU 79 CO 0.05 1.08 0.32 0.00 -1.18 0.00 0.00 179.01 179.28 1gx1 h ALA 80 N 0.68 0.83 -0.72 2.92 0.00 -0.96 -1.41 119.26 120.59 1gx1 h ALA 80 Ca 0.03 0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.91 1gx1 h ALA 80 Cb 1.00 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.68 1gx1 h ALA 80 CO 0.09 -0.02 0.21 2.35 0.00 0.00 0.00 179.25 181.88 1gx1 h TRP 81 N 0.60 1.18 -0.48 0.00 -0.00 -0.67 -0.68 115.95 115.90 1gx1 h TRP 81 Ca 0.28 -0.12 0.07 0.00 -0.00 0.00 0.00 58.89 59.12 1gx1 h TRP 81 Cb 0.21 -0.34 -0.06 0.00 -0.00 0.00 0.00 29.16 28.97 1gx1 h TRP 81 CO -0.10 0.94 0.16 -0.09 -0.00 0.00 0.00 178.44 179.35 1gx1 h ARG 82 N 1.08 0.32 -0.68 2.65 2.43 -0.45 -0.30 114.38 119.44 1gx1 h ARG 82 Ca 0.23 -0.02 -0.06 0.00 -0.81 0.00 0.00 59.98 59.32 1gx1 h ARG 82 Cb 0.32 -0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 29.77 1gx1 h ARG 82 CO -0.00 0.21 0.17 0.00 -1.51 0.00 0.00 179.97 178.84 1gx1 h ARG 83 N 0.33 1.07 -0.47 0.20 3.08 -0.50 -1.88 114.38 116.21 1gx1 h ARG 83 Ca 0.23 -0.24 -0.05 0.00 0.07 0.00 0.00 59.98 59.99 1gx1 h ARG 83 Cb 0.25 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 30.14 1gx1 h ARG 83 CO -0.25 0.94 0.10 0.82 -1.07 0.00 0.00 179.97 180.51 1gx1 h ILE 84 N 1.02 1.24 -0.30 2.04 2.04 -0.81 -2.61 117.51 120.12 1gx1 h ILE 84 Ca 0.21 -0.87 -0.09 0.00 1.00 0.00 0.00 64.86 65.12 1gx1 h ILE 84 Cb 0.35 0.90 -0.02 0.00 -0.74 0.00 0.00 36.82 37.31 1gx1 h ILE 84 CO 0.00 0.31 -0.19 1.56 0.00 0.00 0.00 178.15 179.83 1gx1 h GLN 85 N 0.64 0.56 0.00 2.37 4.20 -0.88 -1.56 115.11 120.43 1gx1 h GLN 85 Ca 0.15 -0.19 -0.01 0.00 0.06 0.00 0.00 58.65 58.66 1gx1 h GLN 85 Cb 0.36 -0.04 -0.00 0.00 0.30 0.00 0.00 27.48 28.09 1gx1 h GLN 85 CO 0.01 0.72 -0.03 0.00 -0.67 0.00 0.00 178.83 178.85 1gx1 h ALA 86 N 1.30 1.16 -0.04 3.87 0.00 -1.13 0.23 119.26 124.64 1gx1 h ALA 86 Ca 0.08 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1gx1 h ALA 86 Cb 0.61 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.39 1gx1 h ALA 86 CO 0.04 0.04 0.00 1.63 0.00 0.00 0.00 179.25 180.96 1gx1 n LYS 87 N -3.35 1.39 -0.04 0.00 5.02 -0.60 -4.92 118.16 115.66 1gx1 n LYS 87 Ca -0.02 -0.57 0.00 0.00 -2.02 0.00 0.00 58.31 55.70 1gx1 n LYS 87 Cb 0.15 -1.43 0.00 0.00 -0.02 0.00 0.00 35.03 33.73 1gx1 n LYS 87 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1gx1 n GLY 88 N 1.05 0.74 3.86 0.72 0.00 0.80 -5.08 105.19 107.28 1gx1 n GLY 88 Ca 0.19 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.88 1gx1 n GLY 88 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1gx1 s TYR 89 N -2.05 3.47 0.33 1.61 2.02 -1.17 -4.61 117.35 116.96 1gx1 s TYR 89 Ca 0.00 0.96 0.06 0.00 -0.37 0.00 0.00 57.07 57.72 1gx1 s TYR 89 Cb 0.00 -2.32 -0.07 0.00 -0.40 0.00 0.00 41.96 39.18 1gx1 s TYR 89 CO 0.00 0.30 0.00 0.95 -1.57 0.00 0.00 175.55 175.23 1gx1 s THR 90 N -1.73 1.60 0.15 -0.71 -4.23 0.84 -4.32 115.64 107.23 1gx1 s THR 90 Ca 0.45 -2.05 -0.28 0.00 -1.18 0.00 0.00 61.69 58.64 1gx1 s THR 90 Cb -0.12 -2.73 -0.07 0.00 1.34 0.00 0.00 72.50 70.92 1gx1 s THR 90 CO 0.20 -0.11 0.86 -0.22 -0.54 0.00 0.00 174.62 174.82 1gx1 s LEU 91 N -3.54 4.56 0.00 4.79 2.96 -1.26 -0.77 118.68 125.43 1gx1 s LEU 91 Ca 0.34 1.73 0.00 0.00 -0.22 0.00 0.00 54.13 55.97 1gx1 s LEU 91 Cb 0.07 -3.43 0.00 0.00 0.50 0.00 0.00 46.19 43.33 1gx1 s LEU 91 CO 0.15 0.10 0.00 0.61 -1.32 0.00 0.00 176.35 175.89 1gx1 n GLY 92 N 1.85 -0.10 3.69 7.98 0.00 0.80 -4.74 105.19 114.67 1gx1 n GLY 92 Ca -0.02 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.91 1gx1 n GLY 92 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1gx1 s ASN 93 N -1.99 -0.31 0.06 1.61 4.22 -1.08 -4.87 114.94 112.57 1gx1 s ASN 93 Ca 0.00 -0.48 0.01 0.00 -2.14 0.00 0.00 52.86 50.25 1gx1 s ASN 93 Cb 0.00 0.67 -0.03 0.00 1.28 0.00 0.00 41.25 43.17 1gx1 s ASN 93 CO 0.00 -1.21 -0.06 0.68 -2.04 0.00 0.00 177.10 174.47 1gx1 s VAL 94 N -3.88 0.53 -0.05 3.54 -7.23 -0.27 -1.17 120.40 111.85 1gx1 s VAL 94 Ca 0.09 -1.48 -0.03 0.00 -1.81 0.00 0.00 61.98 58.75 1gx1 s VAL 94 Cb -0.04 -1.10 0.03 0.00 0.56 0.00 0.00 36.38 35.83 1gx1 s VAL 94 CO 0.01 -0.65 0.12 -0.62 -0.31 0.00 0.00 175.10 173.65 1gx1 s ASP 95 N -2.29 -0.09 -0.01 4.85 2.15 -0.67 -1.60 116.67 119.01 1gx1 s ASP 95 Ca -0.00 0.25 0.04 0.00 0.43 0.00 0.00 52.55 53.27 1gx1 s ASP 95 Cb -0.02 0.17 -0.01 0.00 -0.30 0.00 0.00 42.92 42.76 1gx1 s ASP 95 CO -0.03 -0.12 -0.14 -0.69 -0.17 0.00 0.00 175.17 174.02 1gx1 s VAL 96 N 0.87 1.13 -0.21 1.11 1.01 -0.42 -1.26 120.40 122.63 1gx1 s VAL 96 Ca -0.07 -0.64 0.01 0.00 0.00 0.00 0.00 61.98 61.28 1gx1 s VAL 96 Cb -0.09 -0.95 0.05 0.00 0.00 0.00 0.00 36.38 35.39 1gx1 s VAL 96 CO -0.04 0.29 -0.08 -0.89 0.00 0.00 0.00 175.10 174.39 1gx1 s THR 97 N -0.37 1.51 -0.03 3.92 2.01 0.53 -0.39 115.64 122.82 1gx1 s THR 97 Ca 0.05 -1.03 -0.21 0.00 0.31 0.00 0.00 61.69 60.81 1gx1 s THR 97 Cb -0.06 -1.68 -0.05 0.00 0.01 0.00 0.00 72.50 70.73 1gx1 s THR 97 CO -0.00 0.06 0.62 -0.63 -0.69 0.00 0.00 174.62 173.98 1gx1 s ILE 98 N 1.43 4.97 -0.31 1.82 1.01 0.32 -1.43 121.20 129.02 1gx1 s ILE 98 Ca -0.03 1.30 0.01 0.00 0.00 0.00 0.00 60.65 61.93 1gx1 s ILE 98 Cb -0.17 -3.96 0.07 0.00 0.01 0.00 0.00 42.46 38.41 1gx1 s ILE 98 CO -0.07 0.35 0.00 -0.63 0.00 0.00 0.00 174.94 174.59 1gx1 s ILE 99 N 0.21 2.63 -0.21 2.92 1.01 0.99 -0.98 121.20 127.78 1gx1 s ILE 99 Ca 0.33 -1.74 -0.19 0.00 0.00 0.00 0.00 60.65 59.04 1gx1 s ILE 99 Cb -0.18 -2.64 0.05 0.00 0.01 0.00 0.00 42.46 39.70 1gx1 s ILE 99 CO 0.17 -0.26 0.55 0.00 0.00 0.00 0.00 174.94 175.41 1gx1 s ALA 100 N 1.12 -1.37 0.18 9.38 0.00 -0.59 -1.37 121.76 129.10 1gx1 s ALA 100 Ca -0.01 1.58 0.01 0.00 0.00 0.00 0.00 51.96 53.53 1gx1 s ALA 100 Cb -0.20 -0.92 0.04 0.00 0.00 0.00 0.00 23.12 22.04 1gx1 s ALA 100 CO -0.04 -0.26 1.41 0.37 0.00 0.00 0.00 175.76 177.24 1gx1 h GLN 101 N 5.32 0.27 -1.94 0.00 5.75 -1.84 -3.33 115.11 119.34 1gx1 h GLN 101 Ca -0.28 -0.25 0.15 0.00 -0.15 0.00 0.00 58.65 58.11 1gx1 h GLN 101 Cb 1.17 0.06 -0.18 0.00 1.07 0.00 0.00 27.48 29.61 1gx1 h GLN 101 CO 0.16 0.94 0.60 0.00 -2.65 0.00 0.00 178.83 177.87 1gx1 s ALA 102 N -3.39 -1.91 1.17 3.38 0.00 -1.26 -4.82 121.76 114.92 1gx1 s ALA 102 Ca -0.04 1.27 -0.19 0.00 0.00 0.00 0.00 51.96 53.00 1gx1 s ALA 102 Cb 0.10 0.08 0.28 0.00 0.00 0.00 0.00 23.12 23.58 1gx1 s ALA 102 CO 0.83 -0.60 1.18 -1.25 0.00 0.00 0.00 175.76 175.91 1gx1 s PRO 103 N -2.61 -0.96 1.15 0.00 0.04 -1.26 -5.04 135.00 126.32 1gx1 s PRO 103 Ca 0.05 -0.25 -0.19 0.00 0.04 0.00 0.00 61.00 60.65 1gx1 s PRO 103 Cb -0.01 -1.64 0.28 0.00 0.04 0.00 0.00 34.50 33.17 1gx1 s PRO 103 CO -0.06 -3.51 1.21 1.17 0.04 0.00 0.00 177.00 175.85 1gx1 n LYS 104 N -4.58 -2.46 0.00 4.56 3.00 -1.26 -5.00 118.16 112.43 1gx1 n LYS 104 Ca 0.15 -1.91 0.00 0.00 -0.00 0.00 0.00 58.31 56.55 1gx1 n LYS 104 Cb 0.60 -1.56 0.00 0.00 0.00 0.00 0.00 35.03 34.06 1gx1 n LYS 104 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.40 177.29 1gx1 n LEU 106 N 0.00 0.00 0.30 3.14 7.94 -1.26 -4.71 117.00 122.40 1gx1 n LEU 106 Ca 0.16 0.00 0.15 0.00 -1.11 0.00 0.00 56.01 55.21 1gx1 n LEU 106 Cb 0.60 0.00 0.91 0.00 0.53 0.00 0.00 43.42 45.46 1gx1 n LEU 106 CO 0.42 0.00 1.11 -0.65 -1.11 0.00 0.00 177.39 177.16 1gx1 h PRO 107 N 0.00 0.00 0.00 1.96 0.11 -2.05 -2.66 132.00 129.36 1gx1 h PRO 107 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 1gx1 h PRO 107 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 1gx1 h PRO 107 CO 0.00 0.02 -0.98 0.72 -0.21 0.00 0.00 178.00 177.55 1gx1 n HIS 108 N -3.74 0.02 -0.23 0.65 8.25 -1.26 -4.60 115.22 114.31 1gx1 n HIS 108 Ca -0.03 0.01 -0.07 0.00 -0.26 0.00 0.00 57.72 57.37 1gx1 n HIS 108 Cb 0.11 -0.10 0.04 0.00 1.12 0.00 0.00 29.99 31.15 1gx1 n HIS 108 CO 0.00 0.00 0.00 0.82 0.64 0.00 0.00 176.34 177.80 1gx1 h ILE 109 N 0.00 1.24 -0.89 1.59 2.04 -1.87 -2.88 117.51 116.74 1gx1 h ILE 109 Ca 0.00 -0.79 0.07 0.00 1.00 0.00 0.00 64.86 65.14 1gx1 h ILE 109 Cb 0.55 0.54 -0.06 0.00 -0.74 0.00 0.00 36.82 37.10 1gx1 h ILE 109 CO 0.00 0.31 0.56 -0.65 0.00 0.00 0.00 178.15 178.36 1gx1 h PRO 110 N 0.92 0.97 -1.79 2.37 0.11 -1.81 -0.92 132.00 131.86 1gx1 h PRO 110 Ca 0.21 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 66.27 1gx1 h PRO 110 Cb 0.24 -0.22 0.00 0.00 0.11 0.00 0.00 31.00 31.13 1gx1 h PRO 110 CO -0.01 0.64 0.00 0.94 -0.21 0.00 0.00 178.00 179.36 1gx1 n GLN 111 N -4.60 0.25 0.00 1.05 -0.06 -1.09 -1.91 117.38 111.01 1gx1 n GLN 111 Ca 0.13 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.13 1gx1 n GLN 111 Cb 0.19 -1.38 0.00 0.00 -4.06 0.00 0.00 30.24 25.00 1gx1 n GLN 111 CO 0.00 0.00 0.00 0.54 -0.20 0.00 0.00 177.06 177.40 1gx1 n ARG 113 N 1.03 0.00 -0.02 3.69 1.74 -0.35 -1.55 116.66 121.20 1gx1 n ARG 113 Ca 0.00 0.00 -0.09 0.00 -0.77 0.00 0.00 57.85 56.99 1gx1 n ARG 113 Cb 0.12 0.00 -0.03 0.00 -1.02 0.00 0.00 32.46 31.54 1gx1 n ARG 113 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 1gx1 h VAL 114 N 0.00 0.70 -0.73 1.55 2.07 -1.66 -0.19 116.25 117.99 1gx1 h VAL 114 Ca 0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 1gx1 h VAL 114 Cb 0.00 0.70 -0.04 0.00 -1.52 0.00 0.00 31.29 30.43 1gx1 h VAL 114 CO 0.00 0.00 0.48 -0.26 0.02 0.00 0.00 177.57 177.81 1gx1 h PHE 115 N -0.10 0.93 -0.50 1.57 0.04 -1.57 -0.17 116.94 117.14 1gx1 h PHE 115 Ca 0.09 0.02 -0.06 0.00 2.80 0.00 0.00 57.97 60.83 1gx1 h PHE 115 Cb 0.24 -0.31 -0.02 0.00 2.20 0.00 0.00 35.95 38.05 1gx1 h PHE 115 CO -0.24 0.60 0.10 0.82 -0.60 0.00 0.00 178.31 178.99 1gx1 h ILE 116 N 1.00 1.25 -0.61 -0.55 2.04 -1.79 -0.33 117.51 118.50 1gx1 h ILE 116 Ca 0.27 -0.90 -0.02 0.00 1.00 0.00 0.00 64.86 65.21 1gx1 h ILE 116 Cb -0.10 0.86 -0.03 0.00 -0.74 0.00 0.00 36.82 36.82 1gx1 h ILE 116 CO -0.06 0.32 0.29 0.00 0.00 0.00 0.00 178.15 178.71 1gx1 h ALA 117 N 0.98 0.79 -0.14 1.87 0.00 -0.53 -0.35 119.26 121.88 1gx1 h ALA 117 Ca 0.15 -0.14 0.02 0.00 0.00 0.00 0.00 54.91 54.95 1gx1 h ALA 117 Cb 0.37 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 1gx1 h ALA 117 CO 0.01 0.36 0.03 0.93 0.00 0.00 0.00 179.25 180.57 1gx1 h GLU 118 N 0.84 0.09 0.00 0.00 5.08 -0.87 0.07 114.58 119.78 1gx1 h GLU 118 Ca 0.21 -0.01 -0.06 0.00 -1.00 0.00 0.00 59.36 58.50 1gx1 h GLU 118 Cb 0.12 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.34 1gx1 h GLU 118 CO -0.03 0.06 -0.29 -0.44 -1.00 0.00 0.00 179.01 177.31 1gx1 h ASP 119 N 0.09 0.00 -0.26 1.42 3.32 -0.73 -2.48 116.42 117.78 1gx1 h ASP 119 Ca 0.06 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.11 1gx1 h ASP 119 Cb 0.05 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.60 1gx1 h ASP 119 CO -0.08 0.29 0.00 0.18 -1.72 0.00 0.00 179.24 177.92 1gx1 n LEU 120 N -4.15 3.09 -3.81 1.55 4.77 -0.17 -4.78 117.00 113.50 1gx1 n LEU 120 Ca -0.02 -1.25 -0.29 0.00 -0.03 0.00 0.00 56.01 54.42 1gx1 n LEU 120 Cb 0.34 -0.16 0.03 0.00 -2.33 0.00 0.00 43.42 41.30 1gx1 n LEU 120 CO 0.37 0.62 0.10 0.61 -1.33 0.00 0.00 177.39 177.77 1gx1 n GLY 121 N 1.42 -0.50 3.77 -0.72 0.00 -0.10 -4.93 105.19 104.12 1gx1 n GLY 121 Ca 0.18 0.19 -0.33 0.00 0.00 0.00 0.00 46.02 46.05 1gx1 n GLY 121 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gx1 n HIS 123 N -1.30 0.00 0.00 0.00 8.25 -1.26 -4.59 115.22 116.32 1gx1 n HIS 123 Ca -0.21 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.25 1gx1 n HIS 123 Cb 0.67 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.78 1gx1 n HIS 123 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 1gx1 n ASP 125 N 0.00 0.00 -0.95 0.41 -0.08 -1.26 -3.99 116.55 110.67 1gx1 n ASP 125 Ca 0.00 0.00 0.10 0.00 -1.51 0.00 0.00 54.79 53.38 1gx1 n ASP 125 Cb 0.00 0.00 0.27 0.00 2.34 0.00 0.00 41.12 43.73 1gx1 n ASP 125 CO 0.00 0.00 0.00 0.47 0.12 0.00 0.00 177.20 177.79 1gx1 n ASP 126 N 0.00 2.82 -3.94 1.67 8.00 -1.26 -4.87 116.55 118.96 1gx1 n ASP 126 Ca 0.00 -1.92 -0.27 0.00 0.71 0.00 0.00 54.79 53.31 1gx1 n ASP 126 Cb 0.00 -0.26 -0.17 0.00 -0.02 0.00 0.00 41.12 40.67 1gx1 n ASP 126 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1gx1 s VAL 127 N -1.48 1.11 0.02 2.53 1.01 -1.26 -1.11 120.40 121.23 1gx1 s VAL 127 Ca 0.36 -0.36 0.08 0.00 0.00 0.00 0.00 61.98 62.06 1gx1 s VAL 127 Cb 0.20 -1.09 -0.02 0.00 0.00 0.00 0.00 36.38 35.46 1gx1 s VAL 127 CO 0.28 0.38 -0.25 0.21 0.00 0.00 0.00 175.10 175.72 1gx1 s ASN 128 N 1.48 2.95 -0.02 3.32 2.47 -0.62 -4.99 114.94 119.53 1gx1 s ASN 128 Ca 0.01 -0.53 0.02 0.00 0.42 0.00 0.00 52.86 52.79 1gx1 s ASN 128 Cb -0.13 -0.29 0.00 0.00 -1.45 0.00 0.00 41.25 39.39 1gx1 s ASN 128 CO -0.06 0.26 -0.08 -0.69 -3.72 0.00 0.00 177.10 172.80 1gx1 s VAL 129 N -0.72 0.72 0.28 -5.21 1.01 -1.26 -1.30 120.40 113.92 1gx1 s VAL 129 Ca 0.10 -0.33 0.02 0.00 0.00 0.00 0.00 61.98 61.78 1gx1 s VAL 129 Cb -0.10 -0.65 -0.06 0.00 0.00 0.00 0.00 36.38 35.58 1gx1 s VAL 129 CO 0.01 0.23 0.07 -0.54 0.00 0.00 0.00 175.10 174.87 1gx1 s LYS 130 N 0.20 1.48 0.04 2.72 1.02 0.48 -4.94 119.74 120.73 1gx1 s LYS 130 Ca -0.03 -1.80 -0.01 0.00 0.02 0.00 0.00 55.97 54.15 1gx1 s LYS 130 Cb -0.08 -0.51 -0.03 0.00 -0.52 0.00 0.00 37.83 36.69 1gx1 s LYS 130 CO 0.00 -0.23 -0.02 0.00 -0.92 0.00 0.00 175.35 174.18 1gx1 s ALA 131 N -3.56 0.30 -0.04 5.17 0.00 -1.26 -0.52 121.76 121.85 1gx1 s ALA 131 Ca 0.36 -0.90 -0.13 0.00 0.00 0.00 0.00 51.96 51.29 1gx1 s ALA 131 Cb 0.08 0.22 0.02 0.00 0.00 0.00 0.00 23.12 23.44 1gx1 s ALA 131 CO 0.14 -0.28 0.30 -0.08 0.00 0.00 0.00 175.76 175.84 1gx1 s THR 132 N -2.77 0.04 0.67 0.00 -1.32 -0.15 -4.91 115.64 107.21 1gx1 s THR 132 Ca -0.04 -0.35 -0.03 0.00 -1.21 0.00 0.00 61.69 60.06 1gx1 s THR 132 Cb -0.00 -0.55 0.08 0.00 -1.51 0.00 0.00 72.50 70.51 1gx1 s THR 132 CO -0.06 -0.19 0.95 0.42 -2.21 0.00 0.00 174.62 173.53 1gx1 s THR 133 N -0.90 2.36 -0.27 5.08 -4.23 -1.25 -1.54 115.64 114.88 1gx1 s THR 133 Ca -0.10 -0.46 0.10 0.00 -1.18 0.00 0.00 61.69 60.05 1gx1 s THR 133 Cb -0.05 -2.89 0.49 0.00 1.34 0.00 0.00 72.50 71.40 1gx1 s THR 133 CO 0.03 0.00 1.43 0.35 -0.54 0.00 0.00 174.62 175.89 1gx1 n THR 134 N -2.76 2.47 -3.73 3.99 -2.24 -1.26 -4.91 114.28 105.85 1gx1 n THR 134 Ca 0.10 -2.67 -0.24 0.00 -2.27 0.00 0.00 64.05 58.98 1gx1 n THR 134 Cb 0.60 -0.30 0.04 0.00 -2.10 0.00 0.00 70.33 68.57 1gx1 n THR 134 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1gx1 n GLU 135 N -1.06 -5.56 -1.00 -0.78 -0.58 -1.26 -0.52 120.64 109.87 1gx1 n GLU 135 Ca 0.30 0.66 0.00 0.00 -0.42 0.00 0.00 57.16 57.70 1gx1 n GLU 135 Cb 0.98 -5.41 0.00 0.00 -0.57 0.00 0.00 31.44 26.44 1gx1 n GLU 135 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 1gx1 n LYS 136 N -4.45 -1.40 -3.51 3.49 4.76 -1.26 -5.00 118.16 110.79 1gx1 n LYS 136 Ca -0.17 0.35 -0.28 0.00 -2.87 0.00 0.00 58.31 55.34 1gx1 n LYS 136 Cb 0.62 -4.41 -0.03 0.00 -1.84 0.00 0.00 35.03 29.37 1gx1 n LYS 136 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1gx1 s LEU 137 N 0.00 4.14 0.00 -0.35 1.43 0.32 -4.06 118.68 120.16 1gx1 s LEU 137 Ca 0.00 0.55 0.00 0.00 -1.03 0.00 0.00 54.13 53.65 1gx1 s LEU 137 Cb 0.00 -3.35 0.00 0.00 0.03 0.00 0.00 46.19 42.87 1gx1 s LEU 137 CO 0.00 -0.12 0.00 0.61 0.23 0.00 0.00 176.35 177.07 1gx1 n GLY 138 N -0.83 -1.90 0.23 -3.19 0.00 -1.26 -1.40 105.19 96.85 1gx1 n GLY 138 Ca -0.03 -1.28 0.05 0.00 0.00 0.00 0.00 46.02 44.75 1gx1 n GLY 138 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 173.32 173.59 1gx1 h PHE 139 N -0.57 0.07 -0.19 1.61 -0.00 -1.96 -0.80 116.94 115.09 1gx1 h PHE 139 Ca 0.01 -0.01 -0.16 0.00 -0.00 0.00 0.00 57.97 57.82 1gx1 h PHE 139 Cb 0.56 -0.02 0.00 0.00 -0.00 0.00 0.00 35.95 36.49 1gx1 h PHE 139 CO 0.00 0.22 -0.50 1.79 -0.00 0.00 0.00 178.31 179.83 1gx1 h THR 140 N 0.06 1.32 -0.33 0.88 1.35 -1.77 -1.08 112.91 113.34 1gx1 h THR 140 Ca 0.01 -1.73 -0.02 0.00 -0.55 0.00 0.00 66.41 64.12 1gx1 h THR 140 Cb 0.32 1.90 -0.02 0.00 -1.73 0.00 0.00 68.15 68.62 1gx1 h THR 140 CO 0.02 0.54 0.11 1.23 -0.25 0.00 0.00 175.52 177.17 1gx1 h GLY 141 N 0.37 0.50 0.63 5.82 0.00 -0.47 -1.46 103.07 108.45 1gx1 h GLY 141 Ca -0.01 -0.24 0.00 0.00 0.00 0.00 0.00 47.33 47.08 1gx1 h GLY 141 CO 0.11 0.23 0.00 0.54 0.00 0.00 0.00 176.54 177.42 1gx1 n ARG 142 N -4.38 1.04 -2.04 4.80 1.74 -0.38 -4.36 116.66 113.08 1gx1 n ARG 142 Ca 0.02 -0.06 -0.07 0.00 -0.77 0.00 0.00 57.85 56.96 1gx1 n ARG 142 Cb 0.15 -1.36 -0.01 0.00 -1.02 0.00 0.00 32.46 30.23 1gx1 n ARG 142 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1gx1 n GLY 143 N 0.87 0.16 0.09 -0.13 0.00 -0.55 -4.93 105.19 100.70 1gx1 n GLY 143 Ca 0.17 -0.60 0.03 0.00 0.00 0.00 0.00 46.02 45.62 1gx1 n GLY 143 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1gx1 n GLU 144 N -1.81 0.63 -2.85 1.61 1.02 -0.42 -4.85 120.64 113.97 1gx1 n GLU 144 Ca -0.08 0.15 -0.00 0.00 -0.02 0.00 0.00 57.16 57.20 1gx1 n GLU 144 Cb 0.53 -1.77 0.01 0.00 -0.02 0.00 0.00 31.44 30.19 1gx1 n GLU 144 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1gx1 n GLY 145 N 1.36 0.72 3.03 0.62 0.00 -1.23 -1.17 105.19 108.52 1gx1 n GLY 145 Ca -0.09 -1.01 -0.18 0.00 0.00 0.00 0.00 46.02 44.75 1gx1 n GLY 145 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1gx1 s ILE 146 N -2.21 0.71 0.28 -0.61 1.01 -0.34 -4.39 121.20 115.65 1gx1 s ILE 146 Ca 0.14 -0.49 0.12 0.00 0.00 0.00 0.00 60.65 60.42 1gx1 s ILE 146 Cb -0.01 -0.62 -0.05 0.00 0.01 0.00 0.00 42.46 41.79 1gx1 s ILE 146 CO 0.02 0.13 -0.19 0.00 0.00 0.00 0.00 174.94 174.89 1gx1 s ALA 147 N -0.36 2.74 -0.14 9.38 0.00 -0.47 -1.79 121.76 131.11 1gx1 s ALA 147 Ca 0.02 -1.89 -0.13 0.00 0.00 0.00 0.00 51.96 49.97 1gx1 s ALA 147 Cb -0.04 -0.24 0.04 0.00 0.00 0.00 0.00 23.12 22.88 1gx1 s ALA 147 CO -0.00 0.26 0.38 0.00 0.00 0.00 0.00 175.76 176.39 1gx1 s GLU 149 N 0.33 1.68 0.03 0.00 2.02 -0.51 -1.06 118.70 121.19 1gx1 s GLU 149 Ca -0.01 -1.34 -0.14 0.00 0.02 0.00 0.00 54.97 53.50 1gx1 s GLU 149 Cb -0.03 -2.00 0.02 0.00 0.10 0.00 0.00 34.13 32.22 1gx1 s GLU 149 CO -0.01 0.44 0.31 0.00 0.02 0.00 0.00 175.26 176.02 1gx1 s ALA 150 N -1.42 -0.71 0.10 5.21 0.00 -0.29 -0.35 121.76 124.30 1gx1 s ALA 150 Ca 0.20 0.08 0.04 0.00 0.00 0.00 0.00 51.96 52.28 1gx1 s ALA 150 Cb -0.09 0.26 -0.04 0.00 0.00 0.00 0.00 23.12 23.25 1gx1 s ALA 150 CO 0.10 -0.38 -0.11 0.14 0.00 0.00 0.00 175.76 175.51 1gx1 s VAL 151 N -2.26 1.02 -0.01 0.00 -7.23 -0.39 -0.75 120.40 110.79 1gx1 s VAL 151 Ca -0.07 -1.61 -0.05 0.00 -1.81 0.00 0.00 61.98 58.43 1gx1 s VAL 151 Cb -0.02 -1.35 -0.00 0.00 0.56 0.00 0.00 36.38 35.57 1gx1 s VAL 151 CO -0.02 -0.50 0.10 0.00 -0.31 0.00 0.00 175.10 174.38 1gx1 s ALA 152 N -2.26 -0.24 -0.12 1.32 0.00 -0.61 -1.67 121.76 118.18 1gx1 s ALA 152 Ca 0.05 -0.11 0.03 0.00 0.00 0.00 0.00 51.96 51.93 1gx1 s ALA 152 Cb -0.04 0.04 0.01 0.00 0.00 0.00 0.00 23.12 23.13 1gx1 s ALA 152 CO 0.01 -0.16 -0.21 -1.17 0.00 0.00 0.00 175.76 174.22 1gx1 s LEU 153 N -1.05 2.03 0.26 0.00 2.96 -0.32 -1.37 118.68 121.19 1gx1 s LEU 153 Ca -0.11 -0.55 0.10 0.00 -0.22 0.00 0.00 54.13 53.34 1gx1 s LEU 153 Cb -0.06 -1.36 -0.04 0.00 0.50 0.00 0.00 46.19 45.23 1gx1 s LEU 153 CO 0.01 0.09 -0.02 -0.76 -1.32 0.00 0.00 176.35 174.35 1gx1 s LEU 154 N 0.70 3.15 -0.05 -0.68 1.43 -0.22 -0.14 118.68 122.86 1gx1 s LEU 154 Ca -0.11 -0.66 0.05 0.00 -1.03 0.00 0.00 54.13 52.38 1gx1 s LEU 154 Cb -0.16 -1.68 -0.01 0.00 0.03 0.00 0.00 46.19 44.37 1gx1 s LEU 154 CO 0.02 0.01 -0.21 -0.63 0.23 0.00 0.00 176.35 175.77 1gx1 s ILE 155 N -2.31 1.72 -0.73 -0.59 1.01 0.05 -1.03 121.20 119.33 1gx1 s ILE 155 Ca 0.31 -0.88 0.06 0.00 0.00 0.00 0.00 60.65 60.14 1gx1 s ILE 155 Cb -0.06 -1.47 0.05 0.00 0.01 0.00 0.00 42.46 40.98 1gx1 s ILE 155 CO 0.19 0.49 0.68 1.17 0.00 0.00 0.00 174.94 177.47