#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gx1 s ARG 2 N 0.00 0.03 0.14 5.31 0.52 -0.03 -0.29 118.95 124.63 1gx1 s ARG 2 Ca 0.00 0.03 0.06 0.00 -0.52 0.00 0.00 55.73 55.30 1gx1 s ARG 2 Cb 0.00 0.01 -0.04 0.00 0.52 0.00 0.00 34.95 35.44 1gx1 s ARG 2 CO 0.00 -0.00 0.03 -1.50 0.02 0.00 0.00 175.30 173.84 1gx1 s ILE 3 N -0.12 3.97 0.06 1.52 2.07 -1.26 -0.65 121.20 126.79 1gx1 s ILE 3 Ca 0.08 -1.20 -0.06 0.00 -1.41 0.00 0.00 60.65 58.06 1gx1 s ILE 3 Cb -0.04 -2.97 -0.01 0.00 0.13 0.00 0.00 42.46 39.57 1gx1 s ILE 3 CO -0.15 -0.03 0.11 -0.83 -1.91 0.00 0.00 174.94 172.13 1gx1 s GLY 4 N -2.74 0.20 0.01 1.50 0.00 -0.46 -3.73 107.32 102.10 1gx1 s GLY 4 Ca 0.27 -0.70 0.01 0.00 0.00 0.00 0.00 44.72 44.30 1gx1 s GLY 4 CO 0.19 -0.85 -0.03 -1.58 0.00 0.00 0.00 173.10 170.83 1gx1 s HIS 5 N -3.34 0.27 0.06 1.90 5.04 -1.25 -1.71 115.29 116.26 1gx1 s HIS 5 Ca 0.01 -0.22 0.01 0.00 -1.54 0.00 0.00 55.06 53.32 1gx1 s HIS 5 Cb 0.03 -0.18 -0.03 0.00 0.04 0.00 0.00 32.58 32.44 1gx1 s HIS 5 CO -0.08 -0.06 -0.05 0.20 -2.34 0.00 0.00 174.74 172.41 1gx1 s GLY 6 N -0.60 0.52 -0.12 1.59 0.00 -0.45 -3.76 107.32 104.50 1gx1 s GLY 6 Ca -0.05 -1.02 -0.11 0.00 0.00 0.00 0.00 44.72 43.54 1gx1 s GLY 6 CO -0.00 -1.10 0.31 -0.12 0.00 0.00 0.00 173.10 172.19 1gx1 s PHE 7 N -2.71 -0.34 0.09 1.90 5.36 -1.26 -1.29 117.98 119.72 1gx1 s PHE 7 Ca -0.00 0.83 -0.16 0.00 -0.96 0.00 0.00 56.93 56.64 1gx1 s PHE 7 Cb -0.01 0.12 0.03 0.00 -0.34 0.00 0.00 43.02 42.82 1gx1 s PHE 7 CO -0.04 -0.17 0.39 0.34 -1.46 0.00 0.00 175.22 174.28 1gx1 s ASP 8 N 0.14 -0.23 -0.04 6.13 2.15 -0.46 -4.75 116.67 119.61 1gx1 s ASP 8 Ca -0.00 -0.20 -0.02 0.00 0.43 0.00 0.00 52.55 52.76 1gx1 s ASP 8 Cb -0.02 0.44 0.03 0.00 -0.30 0.00 0.00 42.92 43.07 1gx1 s ASP 8 CO 0.00 -0.76 0.09 -0.69 -0.17 0.00 0.00 175.17 173.64 1gx1 s VAL 9 N -3.22 -0.04 0.09 1.11 1.01 -1.26 -0.52 120.40 117.58 1gx1 s VAL 9 Ca -0.01 0.13 0.06 0.00 0.00 0.00 0.00 61.98 62.16 1gx1 s VAL 9 Cb 0.01 -0.15 -0.03 0.00 0.00 0.00 0.00 36.38 36.21 1gx1 s VAL 9 CO -0.08 0.05 -0.15 -1.00 0.00 0.00 0.00 175.10 173.92 1gx1 s HIS 10 N 0.76 1.38 0.18 5.22 3.76 -0.72 -5.01 115.29 120.87 1gx1 s HIS 10 Ca -0.06 -0.48 -0.10 0.00 -0.15 0.00 0.00 55.06 54.26 1gx1 s HIS 10 Cb -0.08 -0.75 -0.07 0.00 1.11 0.00 0.00 32.58 32.79 1gx1 s HIS 10 CO -0.03 0.11 0.51 0.00 -0.85 0.00 0.00 174.74 174.49 1gx1 s ALA 11 N -1.54 3.61 0.55 -1.40 0.00 -1.26 -1.58 121.76 120.13 1gx1 s ALA 11 Ca 0.03 -0.28 -0.18 0.00 0.00 0.00 0.00 51.96 51.54 1gx1 s ALA 11 Cb -0.08 -2.41 -0.06 0.00 0.00 0.00 0.00 23.12 20.57 1gx1 s ALA 11 CO 0.03 0.52 1.05 -0.06 0.00 0.00 0.00 175.76 177.30 1gx1 s PHE 12 N -1.67 2.99 -0.27 0.00 0.08 -0.58 -0.21 117.98 118.32 1gx1 s PHE 12 Ca 0.43 1.54 -0.29 0.00 0.12 0.00 0.00 56.93 58.72 1gx1 s PHE 12 Cb -0.12 -3.04 0.18 0.00 -0.57 0.00 0.00 43.02 39.47 1gx1 s PHE 12 CO 0.21 -1.00 1.31 0.20 -0.10 0.00 0.00 175.22 175.83 1gx1 s GLY 13 N -2.42 0.04 0.00 4.36 0.00 0.36 -4.58 107.32 105.08 1gx1 s GLY 13 Ca 0.65 2.74 0.00 0.00 0.00 0.00 0.00 44.72 48.11 1gx1 s GLY 13 CO 0.29 1.13 0.00 0.61 0.00 0.00 0.00 173.10 175.13 1gx1 n GLY 14 N 0.59 -0.31 3.82 0.20 0.00 -1.26 -2.10 105.19 106.13 1gx1 n GLY 14 Ca -0.02 -1.06 -0.26 0.00 0.00 0.00 0.00 46.02 44.68 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 2.98 1.41 1.61 -1.05 -1.26 -2.55 118.70 119.83 1gx1 s GLU 15 Ca 0.00 -0.83 -0.23 0.00 -0.15 0.00 0.00 54.97 53.76 1gx1 s GLU 15 Cb 0.00 -2.69 0.36 0.00 -0.44 0.00 0.00 34.13 31.36 1gx1 s GLU 15 CO 0.00 0.49 0.96 0.20 0.95 0.00 0.00 175.26 177.86 1gx1 s GLY 16 N -3.13 1.44 0.93 -3.83 0.00 -1.17 -2.36 107.32 99.19 1gx1 s GLY 16 Ca 0.31 -0.90 -0.13 0.00 0.00 0.00 0.00 44.72 44.00 1gx1 s GLY 16 CO 0.24 0.11 1.27 2.56 0.00 0.00 0.00 173.10 177.29 1gx1 s PRO 17 N -5.19 0.74 0.28 2.90 0.04 -1.26 -4.80 135.00 127.70 1gx1 s PRO 17 Ca 0.69 -0.60 0.08 0.00 0.04 0.00 0.00 61.00 61.21 1gx1 s PRO 17 Cb -0.11 -1.93 -0.04 0.00 0.04 0.00 0.00 34.50 32.46 1gx1 s PRO 17 CO 0.57 -2.29 0.18 0.96 0.04 0.00 0.00 177.00 176.46 1gx1 s ILE 18 N -3.77 4.01 -0.12 0.56 -4.36 0.15 -4.51 121.20 113.16 1gx1 s ILE 18 Ca 0.73 -1.49 0.03 0.00 -0.26 0.00 0.00 60.65 59.66 1gx1 s ILE 18 Cb -0.03 -3.24 0.01 0.00 1.25 0.00 0.00 42.46 40.44 1gx1 s ILE 18 CO 0.52 -0.31 -0.21 -0.63 0.24 0.00 0.00 174.94 174.55 1gx1 s ILE 19 N -2.22 1.90 -0.03 8.37 1.01 -1.26 -0.14 121.20 128.82 1gx1 s ILE 19 Ca 0.35 -0.90 -0.01 0.00 0.00 0.00 0.00 60.65 60.10 1gx1 s ILE 19 Cb -0.07 -1.67 0.03 0.00 0.01 0.00 0.00 42.46 40.76 1gx1 s ILE 19 CO 0.24 0.52 0.02 -0.63 0.00 0.00 0.00 174.94 175.10 1gx1 s ILE 20 N 0.70 0.06 -1.59 2.92 -1.09 -0.63 -4.02 121.20 117.55 1gx1 s ILE 20 Ca -0.11 0.22 -0.02 0.00 -2.23 0.00 0.00 60.65 58.51 1gx1 s ILE 20 Cb -0.16 -0.21 0.01 0.00 -1.58 0.00 0.00 42.46 40.51 1gx1 s ILE 20 CO 0.02 0.15 0.19 0.61 -1.23 0.00 0.00 174.94 174.68 1gx1 n GLY 21 N 4.56 -0.51 3.00 6.18 0.00 -1.26 -1.52 105.19 115.64 1gx1 n GLY 21 Ca -0.19 0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.87 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 -1.13 0.89 3.52 -0.02 0.00 -1.26 -4.77 105.19 102.42 1gx1 n GLY 22 Ca -0.18 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.49 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 -3.63 4.24 -0.03 1.61 1.01 -0.58 -5.07 120.40 117.96 1gx1 s VAL 23 Ca 0.00 -0.22 -0.30 0.00 0.00 0.00 0.00 61.98 61.46 1gx1 s VAL 23 Cb 0.00 -2.91 -0.03 0.00 0.00 0.00 0.00 36.38 33.45 1gx1 s VAL 23 CO 0.00 0.45 1.04 -0.13 0.00 0.00 0.00 175.10 176.46 1gx1 s ARG 24 N 0.66 4.48 -0.12 2.72 0.52 -1.26 -1.61 118.95 124.34 1gx1 s ARG 24 Ca 0.01 1.48 0.01 0.00 -0.52 0.00 0.00 55.73 56.71 1gx1 s ARG 24 Cb -0.14 -3.48 0.02 0.00 0.52 0.00 0.00 34.95 31.87 1gx1 s ARG 24 CO 0.02 -0.20 -0.13 0.42 0.02 0.00 0.00 175.30 175.44 1gx1 s ILE 25 N 1.44 1.36 0.41 1.52 1.01 0.80 -4.97 121.20 122.77 1gx1 s ILE 25 Ca 0.52 -0.53 -0.26 0.00 0.00 0.00 0.00 60.65 60.38 1gx1 s ILE 25 Cb -0.22 -1.29 -0.08 0.00 0.01 0.00 0.00 42.46 40.88 1gx1 s ILE 25 CO 0.25 0.42 1.26 -2.84 0.00 0.00 0.00 174.94 174.02 1gx1 s PRO 26 N 1.31 3.98 0.03 2.79 0.02 -1.26 -0.68 135.00 141.19 1gx1 s PRO 26 Ca -0.01 2.05 -0.27 0.00 0.02 0.00 0.00 61.00 62.79 1gx1 s PRO 26 Cb -0.14 -2.72 0.09 0.00 0.02 0.00 0.00 34.50 31.75 1gx1 s PRO 26 CO -0.06 -0.44 0.81 -0.47 -0.33 0.00 0.00 177.00 176.51 1gx1 s TYR 27 N -1.31 -0.41 0.50 6.54 5.04 -1.26 -4.85 117.35 121.59 1gx1 s TYR 27 Ca 0.57 0.32 0.28 0.00 -2.44 0.00 0.00 57.07 55.79 1gx1 s TYR 27 Cb -0.36 0.53 1.61 0.00 0.35 0.00 0.00 41.96 44.10 1gx1 s TYR 27 CO 0.45 -0.62 2.16 1.05 -1.34 0.00 0.00 175.55 177.26 1gx1 h GLU 28 N 2.09 0.00 -5.29 4.97 4.11 -1.96 -3.20 114.58 115.29 1gx1 h GLU 28 Ca -0.25 0.00 -0.41 0.00 0.07 0.00 0.00 59.36 58.77 1gx1 h GLU 28 Cb 1.25 0.00 -0.14 0.00 0.50 0.00 0.00 28.75 30.36 1gx1 h GLU 28 CO 0.33 0.06 -0.69 0.15 0.07 0.00 0.00 179.01 178.93 1gx1 s LYS 29 N -4.44 1.32 0.12 1.06 1.02 -1.26 -4.11 119.74 113.45 1gx1 s LYS 29 Ca -0.04 -1.63 0.02 0.00 0.02 0.00 0.00 55.97 54.34 1gx1 s LYS 29 Cb 0.14 -0.86 0.02 0.00 -0.52 0.00 0.00 37.83 36.61 1gx1 s LYS 29 CO 0.57 0.04 0.16 0.41 -0.92 0.00 0.00 175.35 175.62 1gx1 n GLY 30 N -0.39 1.93 3.41 -3.33 0.00 -0.89 -3.05 105.19 102.86 1gx1 n GLY 30 Ca -0.07 -2.15 -0.35 0.00 0.00 0.00 0.00 46.02 43.45 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 3.16 0.19 0.99 1.43 -1.25 -0.49 118.68 122.70 1gx1 s LEU 31 Ca 0.12 -0.25 -0.30 0.00 -1.03 0.00 0.00 54.13 52.67 1gx1 s LEU 31 Cb -0.01 -1.80 -0.08 0.00 0.03 0.00 0.00 46.19 44.33 1gx1 s LEU 31 CO 0.08 0.04 1.27 -0.76 0.23 0.00 0.00 176.35 177.21 1gx1 s LEU 32 N 1.12 4.42 0.00 1.79 1.43 0.71 -4.74 118.68 123.41 1gx1 s LEU 32 Ca 0.02 2.32 0.00 0.00 -1.03 0.00 0.00 54.13 55.44 1gx1 s LEU 32 Cb -0.14 -3.61 0.00 0.00 0.03 0.00 0.00 46.19 42.47 1gx1 s LEU 32 CO 0.01 -0.47 0.00 0.00 0.23 0.00 0.00 176.35 176.12 1gx1 n ALA 33 N 2.67 0.00 -0.11 4.21 0.00 -1.26 -4.37 120.51 121.65 1gx1 n ALA 33 Ca 0.06 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.39 1gx1 n ALA 33 Cb 0.44 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.85 1gx1 n ALA 33 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1gx1 h HIS 34 N 0.00 0.62 -1.83 0.00 -0.00 -2.03 -3.44 115.15 108.47 1gx1 h HIS 34 Ca 0.00 -0.11 0.00 0.00 -0.00 0.00 0.00 60.37 60.26 1gx1 h HIS 34 Cb 0.00 -0.16 0.00 0.00 -0.00 0.00 0.00 27.41 27.25 1gx1 h HIS 34 CO 0.00 0.71 0.00 -1.13 -0.00 0.00 0.00 177.93 177.51 1gx1 n SER 35 N -4.53 -0.26 0.00 2.45 3.41 -1.26 -4.90 113.62 108.54 1gx1 n SER 35 Ca -0.02 -0.83 0.13 0.00 -0.26 0.00 0.00 58.87 57.88 1gx1 n SER 35 Cb 0.28 0.00 0.72 0.00 -0.26 0.00 0.00 64.21 64.95 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 -2.88 0.00 -0.54 4.04 5.68 -1.26 -4.90 116.55 116.68 1gx1 n ASP 36 Ca 0.00 -0.52 -0.07 0.00 -0.50 0.00 0.00 54.79 53.70 1gx1 n ASP 36 Cb 0.00 -0.11 -0.03 0.00 -1.14 0.00 0.00 41.12 39.84 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 0.73 0.83 3.56 6.12 0.00 -1.26 -4.59 105.19 110.57 1gx1 n GLY 37 Ca 0.17 -0.74 -0.34 0.00 0.00 0.00 0.00 46.02 45.12 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 -2.91 5.67 0.33 1.61 -1.08 -1.26 -4.83 116.67 114.21 1gx1 s ASP 38 Ca 0.00 -0.81 0.03 0.00 -0.52 0.00 0.00 52.55 51.25 1gx1 s ASP 38 Cb 0.00 -2.56 0.57 0.00 -1.46 0.00 0.00 42.92 39.47 1gx1 s ASP 38 CO 0.00 -2.24 1.87 -0.37 0.52 0.00 0.00 175.17 174.95 1gx1 h VAL 39 N 6.99 1.20 -0.17 1.11 -1.51 -1.93 -1.06 116.25 120.88 1gx1 h VAL 39 Ca 0.07 -0.79 -0.03 0.00 -1.23 0.00 0.00 66.70 64.72 1gx1 h VAL 39 Cb 1.03 0.90 -0.01 0.00 -2.13 0.00 0.00 31.29 31.08 1gx1 h VAL 39 CO 1.29 0.27 0.00 0.00 -1.23 0.00 0.00 177.57 177.90 1gx1 h ALA 40 N 1.48 0.23 -0.04 5.19 0.00 -1.90 -1.50 119.26 122.71 1gx1 h ALA 40 Ca 0.12 -0.20 -0.13 0.00 0.00 0.00 0.00 54.91 54.70 1gx1 h ALA 40 Cb 0.32 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1gx1 h ALA 40 CO 0.01 -0.06 -0.59 -0.07 0.00 0.00 0.00 179.25 178.53 1gx1 h LEU 41 N 0.06 0.14 -0.30 0.00 3.38 -1.88 -0.87 115.31 115.84 1gx1 h LEU 41 Ca 0.05 -0.08 -0.07 0.00 0.09 0.00 0.00 57.88 57.86 1gx1 h LEU 41 Cb 0.38 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 1gx1 h LEU 41 CO 0.01 0.70 -0.10 0.45 0.09 0.00 0.00 178.44 179.59 1gx1 h HIS 42 N 0.10 0.68 -0.44 1.13 3.86 -1.13 -0.18 115.15 119.18 1gx1 h HIS 42 Ca -0.01 -0.16 -0.01 0.00 -1.16 0.00 0.00 60.37 59.03 1gx1 h HIS 42 Cb 1.07 -0.16 -0.02 0.00 1.06 0.00 0.00 27.41 29.36 1gx1 h HIS 42 CO 0.01 0.81 0.22 0.00 0.86 0.00 0.00 177.93 179.83 1gx1 h ALA 43 N 0.78 0.56 -0.56 2.45 0.00 -1.17 -0.83 119.26 120.49 1gx1 h ALA 43 Ca 0.07 -0.11 0.01 0.00 0.00 0.00 0.00 54.91 54.89 1gx1 h ALA 43 Cb 0.60 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.19 1gx1 h ALA 43 CO 0.04 0.12 0.37 1.25 0.00 0.00 0.00 179.25 181.02 1gx1 h LEU 44 N 0.57 0.62 -0.59 0.00 5.85 -1.05 -0.98 115.31 119.74 1gx1 h LEU 44 Ca 0.15 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.85 1gx1 h LEU 44 Cb 0.10 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 40.95 1gx1 h LEU 44 CO -0.02 0.45 0.34 0.74 -0.34 0.00 0.00 178.44 179.61 1gx1 h THR 45 N 0.74 1.18 -0.80 1.05 2.02 -0.70 -1.16 112.91 115.25 1gx1 h THR 45 Ca 0.21 -0.42 -0.03 0.00 0.77 0.00 0.00 66.41 66.93 1gx1 h THR 45 Cb -0.06 0.40 -0.04 0.00 -1.74 0.00 0.00 68.15 66.71 1gx1 h THR 45 CO -0.06 0.19 0.37 0.44 0.37 0.00 0.00 175.52 176.83 1gx1 h ASP 46 N 0.79 1.06 -0.67 4.18 3.32 -0.86 -0.51 116.42 123.73 1gx1 h ASP 46 Ca 0.21 -0.15 -0.01 0.00 0.02 0.00 0.00 57.03 57.10 1gx1 h ASP 46 Cb 0.00 -0.27 -0.03 0.00 0.22 0.00 0.00 39.33 39.25 1gx1 h ASP 46 CO -0.04 0.91 0.37 0.00 -1.72 0.00 0.00 179.24 178.76 1gx1 h ALA 47 N 1.19 0.86 -0.10 3.45 0.00 -0.69 0.50 119.26 124.47 1gx1 h ALA 47 Ca 0.27 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 1gx1 h ALA 47 Cb 0.14 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.66 1gx1 h ALA 47 CO -0.03 0.38 -0.03 -0.07 0.00 0.00 0.00 179.25 179.49 1gx1 h LEU 48 N 0.92 0.20 -1.00 0.00 3.38 -1.00 -1.78 115.31 116.03 1gx1 h LEU 48 Ca 0.24 -0.39 0.08 0.00 0.09 0.00 0.00 57.88 57.89 1gx1 h LEU 48 Cb 0.04 -0.05 -0.07 0.00 0.09 0.00 0.00 40.66 40.67 1gx1 h LEU 48 CO -0.04 0.54 0.64 -0.07 0.09 0.00 0.00 178.44 179.61 1gx1 h LEU 49 N -0.15 1.01 -0.56 1.67 3.38 -0.99 -2.56 115.31 117.11 1gx1 h LEU 49 Ca 0.02 0.02 -0.03 0.00 0.09 0.00 0.00 57.88 57.98 1gx1 h LEU 49 Cb 0.47 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.00 1gx1 h LEU 49 CO 0.01 0.62 0.21 1.23 0.09 0.00 0.00 178.44 180.61 1gx1 h GLY 50 N 1.13 0.90 1.33 0.83 0.00 0.22 -0.22 103.07 107.27 1gx1 h GLY 50 Ca 0.45 -0.50 0.00 0.00 0.00 0.00 0.00 47.33 47.28 1gx1 h GLY 50 CO -0.19 0.47 0.44 0.00 0.00 0.00 0.00 176.54 177.25 1gx1 h ALA 51 N 1.06 1.50 -0.21 3.60 0.00 -1.13 -1.82 119.26 122.26 1gx1 h ALA 51 Ca 0.19 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1gx1 h ALA 51 Cb 0.22 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.73 1gx1 h ALA 51 CO -0.01 0.46 0.00 0.00 0.00 0.00 0.00 179.25 179.69 1gx1 n ALA 52 N -2.43 2.50 -3.90 0.00 0.00 -0.98 -4.64 120.51 111.06 1gx1 n ALA 52 Ca 0.07 -0.55 -0.28 0.00 0.00 0.00 0.00 53.44 52.68 1gx1 n ALA 52 Cb 0.04 -1.06 0.01 0.00 0.00 0.00 0.00 19.45 18.45 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 0.38 -1.62 -0.40 0.00 0.00 -0.67 -4.88 120.51 113.33 1gx1 n ALA 53 Ca 0.15 -0.01 0.09 0.00 0.00 0.00 0.00 53.44 53.67 1gx1 n ALA 53 Cb 0.33 -3.11 0.26 0.00 0.00 0.00 0.00 19.45 16.93 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 -4.48 3.74 0.00 0.00 4.77 -0.18 -5.03 117.00 115.81 1gx1 n LEU 54 Ca -0.11 -2.16 0.00 0.00 -0.03 0.00 0.00 56.01 53.71 1gx1 n LEU 54 Cb 0.59 -0.42 0.00 0.00 -2.33 0.00 0.00 43.42 41.27 1gx1 n LEU 54 CO 0.75 0.84 0.00 0.61 -1.33 0.00 0.00 177.39 178.26 1gx1 n GLY 55 N 0.98 1.03 3.56 -0.72 0.00 -1.25 -4.82 105.19 103.97 1gx1 n GLY 55 Ca 0.20 -1.11 -0.10 0.00 0.00 0.00 0.00 46.02 45.01 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 0.01 0.55 1.61 1.47 -1.26 -4.15 116.67 110.90 1gx1 s ASP 56 Ca 0.00 -1.01 0.25 0.00 1.18 0.00 0.00 52.55 52.97 1gx1 s ASP 56 Cb 0.00 0.58 1.48 0.00 -0.34 0.00 0.00 42.92 44.65 1gx1 s ASP 56 CO 0.00 -1.14 2.06 0.16 0.68 0.00 0.00 175.17 176.93 1gx1 h ILE 57 N 2.26 0.66 -0.13 2.11 3.07 -1.92 -1.50 117.51 122.06 1gx1 h ILE 57 Ca -0.27 0.00 -0.19 0.00 1.55 0.00 0.00 64.86 65.95 1gx1 h ILE 57 Cb 1.25 0.82 -0.00 0.00 -0.27 0.00 0.00 36.82 38.61 1gx1 h ILE 57 CO 0.37 0.00 -0.69 1.23 -1.05 0.00 0.00 178.15 178.01 1gx1 h GLY 58 N 0.00 0.61 1.19 0.16 0.00 -1.97 -1.37 103.07 101.69 1gx1 h GLY 58 Ca 0.14 -0.81 -0.11 0.00 0.00 0.00 0.00 47.33 46.55 1gx1 h GLY 58 CO -0.00 0.73 -0.13 1.70 0.00 0.00 0.00 176.54 178.84 1gx1 h LYS 59 N 0.39 0.94 0.00 4.80 3.64 -1.66 -2.96 116.57 121.72 1gx1 h LYS 59 Ca -0.03 -0.35 -0.20 0.00 -1.27 0.00 0.00 60.65 58.81 1gx1 h LYS 59 Cb 1.27 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 33.02 1gx1 h LYS 59 CO 0.13 1.01 -0.88 -0.07 -2.27 0.00 0.00 179.45 177.36 1gx1 h LEU 60 N 0.84 0.30 -6.23 5.20 4.07 -1.39 -3.38 115.31 114.72 1gx1 h LEU 60 Ca 0.13 -0.24 -0.59 0.00 0.08 0.00 0.00 57.88 57.26 1gx1 h LEU 60 Cb 0.67 -0.09 -0.40 0.00 1.08 0.00 0.00 40.66 41.91 1gx1 h LEU 60 CO 0.05 1.04 -0.83 0.49 -1.08 0.00 0.00 178.44 178.11 1gx1 n PHE 61 N -3.68 1.62 -1.74 1.13 3.72 -0.52 -5.07 117.46 112.92 1gx1 n PHE 61 Ca -0.04 -3.86 -0.34 0.00 -0.05 0.00 0.00 57.45 53.16 1gx1 n PHE 61 Cb 0.81 -0.40 0.06 0.00 -0.94 0.00 0.00 39.48 39.00 1gx1 n PHE 61 CO 0.00 0.00 0.00 -2.14 -0.05 0.00 0.00 176.76 174.57 1gx1 s PRO 62 N -1.63 2.67 0.08 -1.08 0.02 -1.12 -4.72 135.00 129.23 1gx1 s PRO 62 Ca 0.36 1.58 0.10 0.00 0.02 0.00 0.00 61.00 63.06 1gx1 s PRO 62 Cb 0.13 -1.92 0.46 0.00 0.02 0.00 0.00 34.50 33.19 1gx1 s PRO 62 CO -0.08 -1.39 1.30 -0.25 -0.33 0.00 0.00 177.00 176.25 1gx1 n ASP 63 N -2.30 0.17 0.17 2.53 8.00 -1.26 -1.52 116.55 122.35 1gx1 n ASP 63 Ca 0.12 0.56 0.12 0.00 0.71 0.00 0.00 54.79 56.31 1gx1 n ASP 63 Cb 0.51 -0.59 0.24 0.00 -0.02 0.00 0.00 41.12 41.26 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 0.00 -3.79 -3.53 2.02 -1.98 -3.44 112.91 102.18 1gx1 h THR 64 Ca 0.00 -0.81 -0.63 0.00 0.77 0.00 0.00 66.41 65.74 1gx1 h THR 64 Cb 0.09 1.78 -0.16 0.00 -1.74 0.00 0.00 68.15 68.13 1gx1 h THR 64 CO 0.00 0.00 -0.41 -0.62 0.37 0.00 0.00 175.52 174.86 1gx1 s ASP 65 N -5.57 6.12 0.29 4.18 3.68 -0.57 -4.98 116.67 119.82 1gx1 s ASP 65 Ca 0.08 0.12 0.15 0.00 2.13 0.00 0.00 52.55 55.03 1gx1 s ASP 65 Cb 0.08 -2.15 0.19 0.00 -1.45 0.00 0.00 42.92 39.59 1gx1 s ASP 65 CO 0.65 -0.08 1.50 1.55 0.13 0.00 0.00 175.17 178.92 1gx1 h PRO 66 N 8.17 0.00 -0.73 4.34 0.14 -1.87 -3.36 132.00 138.69 1gx1 h PRO 66 Ca -0.34 0.00 0.16 0.00 0.14 0.00 0.00 66.00 65.95 1gx1 h PRO 66 Cb 1.18 0.00 -0.11 0.00 0.14 0.00 0.00 31.00 32.21 1gx1 h PRO 66 CO 0.60 0.53 0.19 0.00 0.14 0.00 0.00 178.00 179.45 1gx1 h ALA 67 N 1.47 0.95 -0.59 -0.56 0.00 -1.96 -2.43 119.26 116.14 1gx1 h ALA 67 Ca -0.01 0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1gx1 h ALA 67 Cb 1.30 0.21 0.00 0.00 0.00 0.00 0.00 17.79 19.31 1gx1 h ALA 67 CO 0.07 -0.33 0.00 1.19 0.00 0.00 0.00 179.25 180.18 1gx1 n PHE 68 N -5.14 0.78 -1.78 0.00 3.72 -1.26 -4.87 117.46 108.91 1gx1 n PHE 68 Ca 0.14 -0.41 -0.42 0.00 -0.05 0.00 0.00 57.45 56.70 1gx1 n PHE 68 Cb 0.45 -0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.96 1gx1 n PHE 68 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 1gx1 s LYS 69 N -1.15 4.16 0.00 -1.08 1.02 -0.92 -1.21 119.74 120.56 1gx1 s LYS 69 Ca 0.43 2.51 0.00 0.00 0.02 0.00 0.00 55.97 58.93 1gx1 s LYS 69 Cb 0.23 -3.71 0.00 0.00 -0.52 0.00 0.00 37.83 33.83 1gx1 s LYS 69 CO 0.31 -0.83 0.00 0.41 -0.92 0.00 0.00 175.35 174.32 1gx1 n GLY 70 N 4.22 0.75 3.81 -3.33 0.00 -1.26 -5.02 105.19 104.36 1gx1 n GLY 70 Ca 0.18 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.86 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 -3.01 2.99 0.98 4.61 0.00 -0.35 -5.04 121.76 121.94 1gx1 s ALA 71 Ca 0.00 0.46 -0.12 0.00 0.00 0.00 0.00 51.96 52.30 1gx1 s ALA 71 Cb 0.00 -3.18 0.18 0.00 0.00 0.00 0.00 23.12 20.12 1gx1 s ALA 71 CO 0.00 -0.02 1.10 0.16 0.00 0.00 0.00 175.76 176.99 1gx1 s ASP 72 N -2.15 2.81 0.43 0.00 1.47 -1.26 -4.70 116.67 113.27 1gx1 s ASP 72 Ca 0.64 1.19 0.24 0.00 1.18 0.00 0.00 52.55 55.80 1gx1 s ASP 72 Cb -0.11 -1.85 0.61 0.00 -0.34 0.00 0.00 42.92 41.22 1gx1 s ASP 72 CO 0.16 -3.02 1.70 0.28 0.68 0.00 0.00 175.17 174.97 1gx1 h SER 73 N -1.81 0.00 -0.43 2.11 0.02 -1.96 -2.80 113.55 108.67 1gx1 h SER 73 Ca -0.54 0.00 -0.10 0.00 -0.84 0.00 0.00 61.79 60.32 1gx1 h SER 73 Cb 1.32 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.85 1gx1 h SER 73 CO 0.58 0.13 -0.09 0.03 -1.14 0.00 0.00 176.83 176.34 1gx1 h ARG 74 N 0.00 0.89 -0.69 3.45 3.08 -1.98 -0.93 114.38 118.20 1gx1 h ARG 74 Ca -0.00 -0.30 -0.02 0.00 0.07 0.00 0.00 59.98 59.73 1gx1 h ARG 74 Cb 0.93 -0.07 -0.03 0.00 0.08 0.00 0.00 29.97 30.87 1gx1 h ARG 74 CO 0.02 0.94 0.34 0.93 -1.07 0.00 0.00 179.97 181.13 1gx1 h GLU 75 N 0.80 0.99 -0.57 0.04 5.08 -1.89 -0.45 114.58 118.59 1gx1 h GLU 75 Ca 0.13 -0.14 -0.01 0.00 -1.00 0.00 0.00 59.36 58.34 1gx1 h GLU 75 Cb 0.60 -0.18 -0.03 0.00 0.50 0.00 0.00 28.75 29.65 1gx1 h GLU 75 CO 0.04 0.77 0.29 -0.07 -1.00 0.00 0.00 179.01 179.05 1gx1 h LEU 76 N 0.96 0.72 -0.34 1.33 3.38 -1.23 -2.09 115.31 118.04 1gx1 h LEU 76 Ca 0.24 -0.11 -0.01 0.00 0.09 0.00 0.00 57.88 58.09 1gx1 h LEU 76 Cb 0.10 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 1gx1 h LEU 76 CO -0.03 0.62 0.16 0.25 0.09 0.00 0.00 178.44 179.53 1gx1 h LEU 77 N 0.76 0.45 -0.87 1.67 5.85 -0.84 -0.85 115.31 121.48 1gx1 h LEU 77 Ca 0.20 -0.14 -0.01 0.00 0.84 0.00 0.00 57.88 58.77 1gx1 h LEU 77 Cb 0.08 -0.12 -0.04 0.00 0.37 0.00 0.00 40.66 40.95 1gx1 h LEU 77 CO -0.03 0.47 0.50 0.03 -0.34 0.00 0.00 178.44 179.07 1gx1 h ARG 78 N 0.41 1.21 -0.42 1.25 3.08 -0.96 0.39 114.38 119.33 1gx1 h ARG 78 Ca 0.12 -0.13 -0.11 0.00 0.07 0.00 0.00 59.98 59.93 1gx1 h ARG 78 Cb 0.14 -0.24 -0.01 0.00 0.08 0.00 0.00 29.97 29.93 1gx1 h ARG 78 CO -0.01 0.87 -0.16 1.49 -1.07 0.00 0.00 179.97 181.08 1gx1 h GLU 79 N 1.21 0.86 -0.42 0.04 4.57 -1.08 -1.18 114.58 118.58 1gx1 h GLU 79 Ca 0.31 -0.36 0.03 0.00 -1.18 0.00 0.00 59.36 58.17 1gx1 h GLU 79 Cb -0.01 -0.03 -0.04 0.00 -0.16 0.00 0.00 28.75 28.51 1gx1 h GLU 79 CO -0.05 0.99 0.20 0.00 -1.18 0.00 0.00 179.01 178.97 1gx1 h ALA 80 N 0.84 0.52 -0.89 2.92 0.00 -0.86 -1.92 119.26 119.86 1gx1 h ALA 80 Ca 0.10 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 1gx1 h ALA 80 Cb 0.71 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.41 1gx1 h ALA 80 CO 0.05 -0.16 0.49 2.35 0.00 0.00 0.00 179.25 181.99 1gx1 h TRP 81 N 0.41 1.22 -0.43 0.00 -0.00 -0.61 -0.27 115.95 116.28 1gx1 h TRP 81 Ca 0.18 -0.03 0.07 0.00 -0.00 0.00 0.00 58.89 59.11 1gx1 h TRP 81 Cb 0.09 -0.39 -0.06 0.00 -0.00 0.00 0.00 29.16 28.80 1gx1 h TRP 81 CO -0.11 0.84 0.09 0.00 -0.00 0.00 0.00 178.44 179.26 1gx1 h ARG 82 N 1.25 0.21 -0.54 2.65 3.08 -0.80 0.18 114.38 120.41 1gx1 h ARG 82 Ca 0.32 -0.01 -0.07 0.00 0.07 0.00 0.00 59.98 60.28 1gx1 h ARG 82 Cb 0.02 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.00 1gx1 h ARG 82 CO -0.05 0.14 0.06 0.00 -1.07 0.00 0.00 179.97 179.05 1gx1 h ARG 83 N 0.22 0.88 -0.27 0.04 3.08 -0.55 -0.76 114.38 117.01 1gx1 h ARG 83 Ca 0.21 -0.22 -0.15 0.00 0.07 0.00 0.00 59.98 59.89 1gx1 h ARG 83 Cb 0.25 -0.11 -0.00 0.00 0.08 0.00 0.00 29.97 30.19 1gx1 h ARG 83 CO -0.27 0.84 -0.40 0.82 -1.07 0.00 0.00 179.97 179.88 1gx1 h ILE 84 N 0.83 1.30 -0.43 2.04 2.04 -0.66 -2.69 117.51 119.94 1gx1 h ILE 84 Ca 0.17 -1.60 -0.04 0.00 1.00 0.00 0.00 64.86 64.40 1gx1 h ILE 84 Cb 0.41 1.66 -0.02 0.00 -0.74 0.00 0.00 36.82 38.13 1gx1 h ILE 84 CO 0.01 0.51 0.12 1.56 0.00 0.00 0.00 178.15 180.35 1gx1 h GLN 85 N 0.50 0.63 0.00 2.37 4.20 -0.47 -2.04 115.11 120.29 1gx1 h GLN 85 Ca 0.03 -0.11 -0.01 0.00 0.06 0.00 0.00 58.65 58.62 1gx1 h GLN 85 Cb 1.00 -0.11 -0.00 0.00 0.30 0.00 0.00 27.48 28.67 1gx1 h GLN 85 CO 0.09 0.57 -0.06 0.00 -0.67 0.00 0.00 178.83 178.76 1gx1 h ALA 86 N 1.51 1.27 -0.00 3.87 0.00 -0.83 0.28 119.26 125.37 1gx1 h ALA 86 Ca 0.14 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1gx1 h ALA 86 Cb 0.21 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1gx1 h ALA 86 CO -0.01 0.07 -0.08 1.63 0.00 0.00 0.00 179.25 180.86 1gx1 n LYS 87 N -3.55 0.38 0.00 0.00 5.02 -0.78 -4.92 118.16 114.31 1gx1 n LYS 87 Ca -0.02 -0.08 0.00 0.00 -2.02 0.00 0.00 58.31 56.19 1gx1 n LYS 87 Cb 0.17 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.68 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 1.35 1.08 3.90 0.72 0.00 0.09 -5.09 105.19 107.23 1gx1 n GLY 88 Ca 0.12 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.84 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 -2.00 3.46 0.33 1.61 2.02 -1.15 -4.65 117.35 116.98 1gx1 s TYR 89 Ca 0.00 0.62 0.07 0.00 -0.37 0.00 0.00 57.07 57.39 1gx1 s TYR 89 Cb 0.00 -2.07 -0.06 0.00 -0.40 0.00 0.00 41.96 39.43 1gx1 s TYR 89 CO 0.00 0.31 -0.03 0.95 -1.57 0.00 0.00 175.55 175.21 1gx1 s THR 90 N -1.85 1.79 -0.03 -0.71 -4.23 -0.29 -4.24 115.64 106.09 1gx1 s THR 90 Ca 0.43 -2.10 -0.26 0.00 -1.18 0.00 0.00 61.69 58.58 1gx1 s THR 90 Cb -0.11 -2.66 -0.04 0.00 1.34 0.00 0.00 72.50 71.03 1gx1 s THR 90 CO 0.26 -0.17 0.81 -0.22 -0.54 0.00 0.00 174.62 174.76 1gx1 s LEU 91 N -3.54 4.36 0.00 4.79 2.96 -1.26 -0.88 118.68 125.10 1gx1 s LEU 91 Ca 0.32 1.39 0.00 0.00 -0.22 0.00 0.00 54.13 55.63 1gx1 s LEU 91 Cb 0.05 -3.28 0.00 0.00 0.50 0.00 0.00 46.19 43.47 1gx1 s LEU 91 CO 0.15 -0.14 0.00 0.61 -1.32 0.00 0.00 176.35 175.64 1gx1 n GLY 92 N 2.92 0.28 3.59 7.98 0.00 0.35 -4.76 105.19 115.56 1gx1 n GLY 92 Ca 0.01 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.94 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 -2.11 -0.42 0.09 1.61 4.22 -1.04 -4.87 114.94 112.44 1gx1 s ASN 93 Ca 0.00 -0.21 0.04 0.00 -2.14 0.00 0.00 52.86 50.55 1gx1 s ASN 93 Cb 0.00 0.59 -0.03 0.00 1.28 0.00 0.00 41.25 43.09 1gx1 s ASN 93 CO 0.00 -1.02 -0.10 0.68 -2.04 0.00 0.00 177.10 174.62 1gx1 s VAL 94 N -3.66 0.95 -0.08 3.54 -7.23 -0.36 -1.46 120.40 112.10 1gx1 s VAL 94 Ca 0.05 -1.60 -0.04 0.00 -1.81 0.00 0.00 61.98 58.59 1gx1 s VAL 94 Cb -0.02 -1.31 0.04 0.00 0.56 0.00 0.00 36.38 35.64 1gx1 s VAL 94 CO -0.05 -0.52 0.18 -0.62 -0.31 0.00 0.00 175.10 173.77 1gx1 s ASP 95 N -2.36 -0.16 -0.02 4.85 2.15 -0.57 -1.66 116.67 118.91 1gx1 s ASP 95 Ca 0.04 0.36 0.07 0.00 0.43 0.00 0.00 52.55 53.46 1gx1 s ASP 95 Cb -0.04 0.27 -0.02 0.00 -0.30 0.00 0.00 42.92 42.84 1gx1 s ASP 95 CO 0.00 -0.14 -0.22 -0.69 -0.17 0.00 0.00 175.17 173.95 1gx1 s VAL 96 N 1.02 1.75 -0.21 1.11 1.01 -0.35 -0.80 120.40 123.93 1gx1 s VAL 96 Ca -0.08 -0.95 -0.00 0.00 0.00 0.00 0.00 61.98 60.95 1gx1 s VAL 96 Cb -0.10 -1.45 0.06 0.00 0.00 0.00 0.00 36.38 34.89 1gx1 s VAL 96 CO -0.06 0.49 -0.04 -0.89 0.00 0.00 0.00 175.10 174.61 1gx1 s THR 97 N -0.52 1.24 -0.01 3.92 2.01 0.51 -0.78 115.64 122.00 1gx1 s THR 97 Ca 0.09 -0.96 -0.23 0.00 0.31 0.00 0.00 61.69 60.89 1gx1 s THR 97 Cb -0.09 -1.53 -0.05 0.00 0.01 0.00 0.00 72.50 70.85 1gx1 s THR 97 CO -0.01 -0.07 0.70 -0.63 -0.69 0.00 0.00 174.62 173.92 1gx1 s ILE 98 N 1.54 4.90 -0.30 1.82 1.01 -0.35 -0.94 121.20 128.89 1gx1 s ILE 98 Ca -0.03 1.46 0.03 0.00 0.00 0.00 0.00 60.65 62.11 1gx1 s ILE 98 Cb -0.18 -4.04 0.07 0.00 0.01 0.00 0.00 42.46 38.33 1gx1 s ILE 98 CO -0.07 0.33 -0.03 -0.63 0.00 0.00 0.00 174.94 174.54 1gx1 s ILE 99 N 0.27 2.31 -0.24 2.92 1.01 0.44 -1.08 121.20 126.83 1gx1 s ILE 99 Ca 0.36 -1.88 -0.21 0.00 0.00 0.00 0.00 60.65 58.92 1gx1 s ILE 99 Cb -0.19 -2.49 0.06 0.00 0.01 0.00 0.00 42.46 39.86 1gx1 s ILE 99 CO 0.20 -0.26 0.64 0.00 0.00 0.00 0.00 174.94 175.51 1gx1 s ALA 100 N 1.04 -1.60 0.13 9.38 0.00 -0.75 -1.20 121.76 128.76 1gx1 s ALA 100 Ca -0.01 1.88 -0.00 0.00 0.00 0.00 0.00 51.96 53.83 1gx1 s ALA 100 Cb -0.20 -1.10 -0.13 0.00 0.00 0.00 0.00 23.12 21.70 1gx1 s ALA 100 CO -0.06 -0.31 1.28 0.37 0.00 0.00 0.00 175.76 177.04 1gx1 h GLN 101 N 5.51 0.24 -2.70 0.00 5.75 -1.83 -3.34 115.11 118.74 1gx1 h GLN 101 Ca -0.29 -0.31 0.03 0.00 -0.15 0.00 0.00 58.65 57.93 1gx1 h GLN 101 Cb 1.18 0.10 -0.13 0.00 1.07 0.00 0.00 27.48 29.69 1gx1 h GLN 101 CO 0.12 1.07 0.33 0.00 -2.65 0.00 0.00 178.83 177.69 1gx1 s ALA 102 N -3.00 -1.69 0.99 3.38 0.00 -1.26 -4.77 121.76 115.41 1gx1 s ALA 102 Ca -0.03 0.69 -0.13 0.00 0.00 0.00 0.00 51.96 52.48 1gx1 s ALA 102 Cb 0.09 0.70 0.18 0.00 0.00 0.00 0.00 23.12 24.09 1gx1 s ALA 102 CO 0.85 -0.74 1.12 -1.25 0.00 0.00 0.00 175.76 175.73 1gx1 s PRO 103 N -3.49 0.47 1.34 0.00 0.04 -1.26 -5.02 135.00 127.08 1gx1 s PRO 103 Ca 0.03 0.34 -0.22 0.00 0.04 0.00 0.00 61.00 61.19 1gx1 s PRO 103 Cb -0.01 -1.76 0.34 0.00 0.04 0.00 0.00 34.50 33.11 1gx1 s PRO 103 CO -0.11 -2.66 1.01 0.21 0.04 0.00 0.00 177.00 175.48 1gx1 s LYS 104 N -5.14 -2.33 0.00 4.56 2.47 -1.26 -4.99 119.74 113.04 1gx1 s LYS 104 Ca 0.66 0.01 0.00 0.00 -1.56 0.00 0.00 55.97 55.08 1gx1 s LYS 104 Cb -0.16 -1.46 0.00 0.00 -1.46 0.00 0.00 37.83 34.75 1gx1 s LYS 104 CO 0.56 -4.46 0.00 -0.11 0.16 0.00 0.00 175.35 171.50 1gx1 n LEU 106 N -5.31 0.00 0.19 5.43 7.94 -1.26 -4.80 117.00 119.20 1gx1 n LEU 106 Ca 0.13 0.00 0.14 0.00 -1.11 0.00 0.00 56.01 55.18 1gx1 n LEU 106 Cb 0.60 0.00 0.56 0.00 0.53 0.00 0.00 43.42 45.11 1gx1 n LEU 106 CO 0.43 0.00 0.91 -0.65 -1.11 0.00 0.00 177.39 176.97 1gx1 h PRO 107 N 0.00 0.00 0.00 1.96 0.11 -2.05 -2.94 132.00 129.09 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 0.00 -0.73 0.72 -0.21 0.00 0.00 178.00 177.78 1gx1 n HIS 108 N -2.61 0.00 -0.11 0.65 8.25 -1.26 -4.50 115.22 115.65 1gx1 n HIS 108 Ca 0.02 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.38 1gx1 n HIS 108 Cb 0.28 -0.14 0.05 0.00 1.12 0.00 0.00 29.99 31.30 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 1.27 -0.67 1.59 2.04 -1.93 -2.88 117.51 116.94 1gx1 h ILE 109 Ca 0.00 -1.39 0.12 0.00 1.00 0.00 0.00 64.86 64.59 1gx1 h ILE 109 Cb 0.50 1.22 -0.09 0.00 -0.74 0.00 0.00 36.82 37.72 1gx1 h ILE 109 CO 0.00 0.47 0.24 -0.65 0.00 0.00 0.00 178.15 178.20 1gx1 h PRO 110 N 0.73 0.38 -1.71 2.37 0.11 -1.79 -0.47 132.00 131.61 1gx1 h PRO 110 Ca 0.09 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.18 1gx1 h PRO 110 Cb 0.79 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 31.81 1gx1 h PRO 110 CO 0.07 0.25 0.00 1.04 -0.21 0.00 0.00 178.00 179.15 1gx1 n GLN 111 N -5.03 0.37 0.00 1.05 6.02 -1.09 -2.13 117.38 116.57 1gx1 n GLN 111 Ca 0.11 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.10 1gx1 n GLN 111 Cb 0.34 -1.31 0.00 0.00 1.02 0.00 0.00 30.24 30.29 1gx1 n GLN 111 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1gx1 n ARG 113 N 1.04 0.00 -0.08 -1.09 1.74 -0.19 -1.00 116.66 117.08 1gx1 n ARG 113 Ca 0.00 0.00 -0.10 0.00 -0.77 0.00 0.00 57.85 56.98 1gx1 n ARG 113 Cb 0.19 0.00 -0.03 0.00 -1.02 0.00 0.00 32.46 31.60 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 1.13 -0.78 1.55 2.07 -1.69 0.11 116.25 118.64 1gx1 h VAL 114 Ca 0.00 -0.36 -0.02 0.00 0.82 0.00 0.00 66.70 67.14 1gx1 h VAL 114 Cb 0.00 0.87 -0.04 0.00 -1.52 0.00 0.00 31.29 30.61 1gx1 h VAL 114 CO 0.00 0.13 0.40 -0.26 0.02 0.00 0.00 177.57 177.86 1gx1 h PHE 115 N 0.32 1.10 -0.35 1.57 0.04 -1.36 -0.46 116.94 117.80 1gx1 h PHE 115 Ca 0.09 -0.04 -0.14 0.00 2.80 0.00 0.00 57.97 60.69 1gx1 h PHE 115 Cb 0.08 -0.35 -0.01 0.00 2.20 0.00 0.00 35.95 37.88 1gx1 h PHE 115 CO -0.03 0.79 -0.32 0.82 -0.60 0.00 0.00 178.31 178.97 1gx1 h ILE 116 N 1.09 1.28 -0.69 -0.55 2.04 -1.76 -0.98 117.51 117.94 1gx1 h ILE 116 Ca 0.27 -1.48 -0.04 0.00 1.00 0.00 0.00 64.86 64.60 1gx1 h ILE 116 Cb 0.08 1.45 -0.03 0.00 -0.74 0.00 0.00 36.82 37.58 1gx1 h ILE 116 CO -0.04 0.49 0.25 0.00 0.00 0.00 0.00 178.15 178.85 1gx1 h ALA 117 N 0.75 1.14 0.19 1.87 0.00 -0.75 -1.34 119.26 121.13 1gx1 h ALA 117 Ca 0.06 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 1gx1 h ALA 117 Cb 0.90 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.41 1gx1 h ALA 117 CO 0.08 0.61 -0.09 0.93 0.00 0.00 0.00 179.25 180.77 1gx1 h GLU 118 N 1.01 -0.25 -0.27 0.00 5.08 -0.81 -0.81 114.58 118.53 1gx1 h GLU 118 Ca 0.23 0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.59 1gx1 h GLU 118 Cb 0.23 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.52 1gx1 h GLU 118 CO -0.02 -0.15 0.10 -0.44 -1.00 0.00 0.00 179.01 177.50 1gx1 h ASP 119 N -0.27 0.33 -0.37 1.42 3.32 -0.83 -2.44 116.42 117.58 1gx1 h ASP 119 Ca -0.03 -0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.00 1gx1 h ASP 119 Cb 0.21 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 39.67 1gx1 h ASP 119 CO 0.04 0.31 0.00 0.18 -1.72 0.00 0.00 179.24 178.06 1gx1 n LEU 120 N -4.42 3.33 -3.50 1.55 4.77 -0.53 -4.78 117.00 113.42 1gx1 n LEU 120 Ca 0.01 -1.43 -0.25 0.00 -0.03 0.00 0.00 56.01 54.30 1gx1 n LEU 120 Cb 0.13 -0.24 0.04 0.00 -2.33 0.00 0.00 43.42 41.02 1gx1 n LEU 120 CO 0.36 0.72 0.10 0.61 -1.33 0.00 0.00 177.39 177.85 1gx1 n GLY 121 N 1.48 -0.52 3.66 -0.72 0.00 -0.46 -4.92 105.19 103.71 1gx1 n GLY 121 Ca 0.19 0.18 -0.30 0.00 0.00 0.00 0.00 46.02 46.10 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 -1.10 0.00 0.00 0.00 8.25 -1.26 -4.61 115.22 116.50 1gx1 n HIS 123 Ca -0.13 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.33 1gx1 n HIS 123 Cb 0.66 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.77 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 -0.92 0.41 -0.08 -1.26 -3.98 116.55 110.72 1gx1 n ASP 125 Ca 0.00 0.00 0.12 0.00 -1.51 0.00 0.00 54.79 53.40 1gx1 n ASP 125 Cb 0.00 0.00 0.26 0.00 2.34 0.00 0.00 41.12 43.72 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 2.77 -4.01 1.67 8.00 -1.26 -4.86 116.55 118.86 1gx1 n ASP 126 Ca 0.00 -1.89 -0.30 0.00 0.71 0.00 0.00 54.79 53.31 1gx1 n ASP 126 Cb 0.00 -0.16 -0.16 0.00 -0.02 0.00 0.00 41.12 40.77 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 -1.68 1.55 -0.01 2.53 1.01 -1.26 -1.23 120.40 121.32 1gx1 s VAL 127 Ca 0.35 -0.69 0.08 0.00 0.00 0.00 0.00 61.98 61.73 1gx1 s VAL 127 Cb 0.21 -1.50 -0.02 0.00 0.00 0.00 0.00 36.38 35.07 1gx1 s VAL 127 CO 0.30 0.39 -0.25 0.21 0.00 0.00 0.00 175.10 175.75 1gx1 s ASN 128 N 1.48 3.12 -0.03 3.32 2.47 -0.66 -4.99 114.94 119.65 1gx1 s ASN 128 Ca 0.04 -0.47 0.01 0.00 0.42 0.00 0.00 52.86 52.86 1gx1 s ASN 128 Cb -0.13 -0.36 0.01 0.00 -1.45 0.00 0.00 41.25 39.32 1gx1 s ASN 128 CO -0.10 0.31 -0.05 -0.69 -3.72 0.00 0.00 177.10 172.86 1gx1 s VAL 129 N -0.64 0.48 0.29 -5.21 1.01 -1.26 -1.21 120.40 113.86 1gx1 s VAL 129 Ca 0.10 -0.14 0.03 0.00 0.00 0.00 0.00 61.98 61.97 1gx1 s VAL 129 Cb -0.10 -0.49 -0.04 0.00 0.00 0.00 0.00 36.38 35.76 1gx1 s VAL 129 CO -0.00 0.19 0.18 -1.59 0.00 0.00 0.00 175.10 173.87 1gx1 s LYS 130 N 0.60 1.55 0.07 2.72 -2.85 0.04 -4.96 119.74 116.89 1gx1 s LYS 130 Ca -0.08 -1.88 -0.01 0.00 -1.00 0.00 0.00 55.97 53.01 1gx1 s LYS 130 Cb -0.11 0.05 -0.04 0.00 -2.06 0.00 0.00 37.83 35.67 1gx1 s LYS 130 CO -0.00 -0.48 -0.01 0.00 0.10 0.00 0.00 175.35 174.96 1gx1 s ALA 131 N -3.68 0.57 0.02 0.59 0.00 -1.26 -1.21 121.76 116.78 1gx1 s ALA 131 Ca 0.37 -1.25 -0.16 0.00 0.00 0.00 0.00 51.96 50.92 1gx1 s ALA 131 Cb 0.05 0.39 0.03 0.00 0.00 0.00 0.00 23.12 23.58 1gx1 s ALA 131 CO 0.18 -0.39 0.34 -0.08 0.00 0.00 0.00 175.76 175.81 1gx1 s THR 132 N -3.94 0.06 0.59 0.00 -1.32 -0.24 -4.92 115.64 105.87 1gx1 s THR 132 Ca 0.10 -0.53 0.02 0.00 -1.21 0.00 0.00 61.69 60.06 1gx1 s THR 132 Cb 0.08 -0.82 0.06 0.00 -1.51 0.00 0.00 72.50 70.31 1gx1 s THR 132 CO -0.08 -0.29 0.82 0.42 -2.21 0.00 0.00 174.62 173.28 1gx1 s THR 133 N -2.00 2.52 -0.31 5.08 -4.23 -1.25 -1.82 115.64 113.63 1gx1 s THR 133 Ca -0.09 -0.68 0.09 0.00 -1.18 0.00 0.00 61.69 59.83 1gx1 s THR 133 Cb -0.03 -2.84 0.56 0.00 1.34 0.00 0.00 72.50 71.54 1gx1 s THR 133 CO 0.00 0.00 1.57 0.35 -0.54 0.00 0.00 174.62 176.01 1gx1 n THR 134 N -2.43 2.68 -3.74 3.99 -2.24 -1.26 -4.90 114.28 106.38 1gx1 n THR 134 Ca 0.10 -2.42 -0.23 0.00 -2.27 0.00 0.00 64.05 59.23 1gx1 n THR 134 Cb 0.60 -0.35 0.04 0.00 -2.10 0.00 0.00 70.33 68.52 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 -1.00 -5.30 -1.00 -0.78 -0.58 -1.26 -1.08 120.64 109.64 1gx1 n GLU 135 Ca 0.38 0.64 0.00 0.00 -0.42 0.00 0.00 57.16 57.75 1gx1 n GLU 135 Cb 1.17 -5.32 0.00 0.00 -0.57 0.00 0.00 31.44 26.72 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 -4.40 -1.30 -3.86 3.49 4.76 -1.26 -5.00 118.16 110.58 1gx1 n LYS 136 Ca -0.20 0.32 -0.31 0.00 -2.87 0.00 0.00 58.31 55.26 1gx1 n LYS 136 Cb 0.63 -4.30 -0.04 0.00 -1.84 0.00 0.00 35.03 29.48 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 4.34 0.12 -0.35 1.43 -0.24 -4.02 118.68 119.94 1gx1 s LEU 137 Ca 0.00 0.33 0.00 0.00 -1.03 0.00 0.00 54.13 53.43 1gx1 s LEU 137 Cb 0.00 -3.03 0.00 0.00 0.03 0.00 0.00 46.19 43.19 1gx1 s LEU 137 CO 0.00 0.13 0.00 0.61 0.23 0.00 0.00 176.35 177.32 1gx1 n GLY 138 N 0.16 -1.60 0.25 -3.19 0.00 -1.26 -1.57 105.19 97.98 1gx1 n GLY 138 Ca -0.05 -1.41 0.08 0.00 0.00 0.00 0.00 46.02 44.65 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 -0.43 0.00 -0.13 1.61 -0.00 -1.96 -1.07 116.94 114.95 1gx1 h PHE 139 Ca 0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 57.97 57.88 1gx1 h PHE 139 Cb 0.43 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 36.38 1gx1 h PHE 139 CO -0.90 0.05 -0.26 1.79 -0.00 0.00 0.00 178.31 178.99 1gx1 h THR 140 N 0.00 1.37 -0.24 0.88 1.35 -1.77 -0.35 112.91 114.14 1gx1 h THR 140 Ca -0.00 -1.52 -0.00 0.00 -0.55 0.00 0.00 66.41 64.34 1gx1 h THR 140 Cb 0.10 2.02 -0.01 0.00 -1.73 0.00 0.00 68.15 68.53 1gx1 h THR 140 CO 0.01 0.45 0.13 1.23 -0.25 0.00 0.00 175.52 177.09 1gx1 h GLY 141 N 0.01 0.34 1.00 5.82 0.00 -0.59 -1.24 103.07 108.41 1gx1 h GLY 141 Ca 0.01 -0.14 0.00 0.00 0.00 0.00 0.00 47.33 47.20 1gx1 h GLY 141 CO 0.06 0.13 -0.05 0.54 0.00 0.00 0.00 176.54 177.22 1gx1 n ARG 142 N -4.48 0.77 -2.15 4.80 1.74 -0.47 -4.30 116.66 112.58 1gx1 n ARG 142 Ca 0.01 -0.17 -0.04 0.00 -0.77 0.00 0.00 57.85 56.88 1gx1 n ARG 142 Cb 0.09 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.04 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 1.20 0.27 0.11 -0.13 0.00 -0.47 -4.97 105.19 101.21 1gx1 n GLY 143 Ca 0.17 -0.70 0.01 0.00 0.00 0.00 0.00 46.02 45.50 1gx1 n GLY 143 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1gx1 h GLU 144 N -0.06 0.00 0.00 1.61 5.08 -1.25 -3.46 114.58 116.49 1gx1 h GLU 144 Ca -0.09 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.27 1gx1 h GLU 144 Cb 1.07 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.32 1gx1 h GLU 144 CO 0.11 0.40 0.00 0.41 -1.00 0.00 0.00 179.01 178.93 1gx1 n GLY 145 N 1.31 0.55 3.07 -3.84 0.00 -1.24 -1.53 105.19 103.52 1gx1 n GLY 145 Ca -0.04 -0.77 -0.18 0.00 0.00 0.00 0.00 46.02 45.03 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 -2.06 0.80 0.33 -0.61 1.01 -0.61 -4.41 121.20 115.64 1gx1 s ILE 146 Ca 0.00 -0.76 0.09 0.00 0.00 0.00 0.00 60.65 59.98 1gx1 s ILE 146 Cb 0.00 -0.74 -0.06 0.00 0.01 0.00 0.00 42.46 41.67 1gx1 s ILE 146 CO 0.00 -0.01 -0.09 0.00 0.00 0.00 0.00 174.94 174.83 1gx1 s ALA 147 N -0.71 2.83 -0.13 9.38 0.00 -0.34 -1.75 121.76 131.04 1gx1 s ALA 147 Ca -0.00 -2.05 -0.14 0.00 0.00 0.00 0.00 51.96 49.77 1gx1 s ALA 147 Cb -0.06 -0.02 0.04 0.00 0.00 0.00 0.00 23.12 23.08 1gx1 s ALA 147 CO 0.00 0.06 0.38 0.00 0.00 0.00 0.00 175.76 176.21 1gx1 s GLU 149 N 0.07 1.68 0.00 0.00 2.02 -0.12 -1.36 118.70 120.99 1gx1 s GLU 149 Ca -0.01 -1.21 -0.07 0.00 0.02 0.00 0.00 54.97 53.70 1gx1 s GLU 149 Cb -0.03 -2.04 0.00 0.00 0.10 0.00 0.00 34.13 32.17 1gx1 s GLU 149 CO 0.01 0.48 0.13 0.00 0.02 0.00 0.00 175.26 175.90 1gx1 s ALA 150 N -1.07 -0.31 0.10 5.21 0.00 -0.41 -0.36 121.76 124.92 1gx1 s ALA 150 Ca 0.16 -0.13 0.06 0.00 0.00 0.00 0.00 51.96 52.05 1gx1 s ALA 150 Cb -0.10 0.10 -0.03 0.00 0.00 0.00 0.00 23.12 23.08 1gx1 s ALA 150 CO 0.08 -0.20 -0.16 0.14 0.00 0.00 0.00 175.76 175.62 1gx1 s VAL 151 N -1.32 1.35 0.03 0.00 -7.23 0.02 -1.35 120.40 111.91 1gx1 s VAL 151 Ca -0.14 -1.51 -0.00 0.00 -1.81 0.00 0.00 61.98 58.52 1gx1 s VAL 151 Cb -0.07 -1.35 -0.03 0.00 0.56 0.00 0.00 36.38 35.49 1gx1 s VAL 151 CO 0.01 -0.24 -0.03 0.00 -0.31 0.00 0.00 175.10 174.53 1gx1 s ALA 152 N -1.52 0.25 -0.09 1.32 0.00 -0.69 -1.51 121.76 119.51 1gx1 s ALA 152 Ca 0.04 -0.78 0.01 0.00 0.00 0.00 0.00 51.96 51.24 1gx1 s ALA 152 Cb -0.08 0.18 0.02 0.00 0.00 0.00 0.00 23.12 23.23 1gx1 s ALA 152 CO 0.03 -0.22 -0.13 -1.17 0.00 0.00 0.00 175.76 174.28 1gx1 s LEU 153 N -1.89 1.59 0.18 0.00 2.96 -0.53 -1.35 118.68 119.63 1gx1 s LEU 153 Ca -0.09 -0.35 0.07 0.00 -0.22 0.00 0.00 54.13 53.54 1gx1 s LEU 153 Cb -0.05 -0.94 -0.04 0.00 0.50 0.00 0.00 46.19 45.66 1gx1 s LEU 153 CO -0.04 -0.00 0.00 -0.76 -1.32 0.00 0.00 176.35 174.23 1gx1 s LEU 154 N 1.01 3.32 -0.02 -0.68 1.43 0.18 -0.49 118.68 123.42 1gx1 s LEU 154 Ca -0.07 -0.41 0.08 0.00 -1.03 0.00 0.00 54.13 52.70 1gx1 s LEU 154 Cb -0.15 -1.96 -0.02 0.00 0.03 0.00 0.00 46.19 44.09 1gx1 s LEU 154 CO -0.01 0.08 -0.25 -0.63 0.23 0.00 0.00 176.35 175.77 1gx1 s ILE 155 N -1.78 1.98 -0.29 -0.59 1.01 -0.06 -0.86 121.20 120.61 1gx1 s ILE 155 Ca 0.28 -1.07 0.02 0.00 0.00 0.00 0.00 60.65 59.88 1gx1 s ILE 155 Cb -0.09 -1.64 0.02 0.00 0.01 0.00 0.00 42.46 40.76 1gx1 s ILE 155 CO 0.19 0.56 0.57 1.17 0.00 0.00 0.00 174.94 177.43