#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 0.17 0.11 3.44 0.52 -0.55 -0.23 118.95 122.40 1gx1 s ARG 2 Ca 0.00 0.12 0.06 0.00 -0.52 0.00 0.00 55.73 55.40 1gx1 s ARG 2 Cb 0.00 0.08 -0.04 0.00 0.52 0.00 0.00 34.95 35.51 1gx1 s ARG 2 CO 0.00 -0.04 -0.05 -1.50 0.02 0.00 0.00 175.30 173.74 1gx1 s ILE 3 N -0.39 3.68 0.12 1.52 2.07 -1.26 -0.98 121.20 125.95 1gx1 s ILE 3 Ca 0.06 -1.17 -0.06 0.00 -1.41 0.00 0.00 60.65 58.08 1gx1 s ILE 3 Cb -0.03 -2.75 -0.02 0.00 0.13 0.00 0.00 42.46 39.79 1gx1 s ILE 3 CO -0.10 0.09 0.16 -0.83 -1.91 0.00 0.00 174.94 172.35 1gx1 s GLY 4 N -2.33 0.45 0.01 1.50 0.00 -0.42 -3.82 107.32 102.72 1gx1 s GLY 4 Ca 0.24 -0.97 -0.05 0.00 0.00 0.00 0.00 44.72 43.95 1gx1 s GLY 4 CO 0.16 -1.00 0.08 -1.58 0.00 0.00 0.00 173.10 170.76 1gx1 s HIS 5 N -3.94 0.12 0.03 1.90 2.46 -1.25 -1.74 115.29 112.86 1gx1 s HIS 5 Ca 0.13 -0.27 -0.08 0.00 0.47 0.00 0.00 55.06 55.32 1gx1 s HIS 5 Cb 0.05 -0.10 -0.00 0.00 -0.13 0.00 0.00 32.58 32.41 1gx1 s HIS 5 CO -0.05 -0.25 0.15 0.20 -2.47 0.00 0.00 174.74 172.33 1gx1 s GLY 6 N -1.39 0.07 -0.08 1.59 0.00 -0.21 -3.65 107.32 103.66 1gx1 s GLY 6 Ca -0.15 -0.30 -0.07 0.00 0.00 0.00 0.00 44.72 44.20 1gx1 s GLY 6 CO 0.01 -0.45 0.21 -0.12 0.00 0.00 0.00 173.10 172.75 1gx1 s PHE 7 N -2.20 -0.24 0.06 1.90 5.36 -1.26 -1.28 117.98 120.33 1gx1 s PHE 7 Ca -0.08 0.58 -0.11 0.00 -0.96 0.00 0.00 56.93 56.36 1gx1 s PHE 7 Cb -0.03 0.08 0.01 0.00 -0.34 0.00 0.00 43.02 42.73 1gx1 s PHE 7 CO -0.02 -0.12 0.24 0.34 -1.46 0.00 0.00 175.22 174.20 1gx1 s ASP 8 N 0.19 -0.01 -0.04 6.13 2.15 -0.42 -4.77 116.67 119.90 1gx1 s ASP 8 Ca -0.01 -0.40 -0.03 0.00 0.43 0.00 0.00 52.55 52.54 1gx1 s ASP 8 Cb -0.02 0.34 0.02 0.00 -0.30 0.00 0.00 42.92 42.96 1gx1 s ASP 8 CO -0.00 -0.65 0.09 -0.69 -0.17 0.00 0.00 175.17 173.75 1gx1 s VAL 9 N -3.08 -0.02 0.09 1.11 1.01 -1.26 -0.74 120.40 117.51 1gx1 s VAL 9 Ca -0.01 0.07 0.06 0.00 0.00 0.00 0.00 61.98 62.09 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 -0.07 0.03 -0.15 -1.00 0.00 0.00 0.00 175.10 173.92 1gx1 s HIS 10 N 0.43 1.31 0.13 5.22 3.76 -0.77 -5.01 115.29 120.37 1gx1 s HIS 10 Ca -0.03 -0.49 -0.11 0.00 -0.15 0.00 0.00 55.06 54.27 1gx1 s HIS 10 Cb -0.05 -0.72 -0.06 0.00 1.11 0.00 0.00 32.58 32.86 1gx1 s HIS 10 CO -0.02 0.09 0.48 0.00 -0.85 0.00 0.00 174.74 174.45 1gx1 s ALA 11 N -1.55 3.64 0.55 -1.40 0.00 -1.26 -1.41 121.76 120.33 1gx1 s ALA 11 Ca 0.02 -0.27 -0.19 0.00 0.00 0.00 0.00 51.96 51.53 1gx1 s ALA 11 Cb -0.08 -2.39 -0.06 0.00 0.00 0.00 0.00 23.12 20.59 1gx1 s ALA 11 CO 0.03 0.52 1.09 -0.06 0.00 0.00 0.00 175.76 177.34 1gx1 s PHE 12 N -1.50 2.79 0.00 0.00 0.08 -0.32 -0.70 117.98 118.33 1gx1 s PHE 12 Ca 0.37 1.55 0.00 0.00 0.12 0.00 0.00 56.93 58.97 1gx1 s PHE 12 Cb -0.14 -3.18 0.00 0.00 -0.57 0.00 0.00 43.02 39.13 1gx1 s PHE 12 CO 0.19 -1.33 0.00 0.41 -0.10 0.00 0.00 175.22 174.39 1gx1 n GLY 13 N -0.17 1.23 7.00 4.36 0.00 -0.15 -4.63 105.19 112.82 1gx1 n GLY 13 Ca 0.10 -0.67 0.00 0.00 0.00 0.00 0.00 46.02 45.46 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 -0.22 0.12 3.69 -0.02 0.00 -1.26 -2.07 105.19 105.42 1gx1 n GLY 14 Ca 0.00 -0.97 -0.32 0.00 0.00 0.00 0.00 46.02 44.74 1gx1 n GLY 14 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1gx1 s GLU 15 N 0.00 2.71 1.19 1.61 2.02 -1.26 -2.70 118.70 122.27 1gx1 s GLU 15 Ca 0.00 -0.69 -0.15 0.00 0.02 0.00 0.00 54.97 54.14 1gx1 s GLU 15 Cb 0.00 -2.62 0.29 0.00 0.10 0.00 0.00 34.13 31.89 1gx1 s GLU 15 CO 0.00 0.59 1.03 0.20 0.02 0.00 0.00 175.26 177.10 1gx1 s GLY 16 N -1.85 1.52 0.70 -1.39 0.00 -1.22 -3.39 107.32 101.69 1gx1 s GLY 16 Ca 0.22 -0.41 -0.10 0.00 0.00 0.00 0.00 44.72 44.43 1gx1 s GLY 16 CO 0.13 0.37 1.06 2.56 0.00 0.00 0.00 173.10 177.22 1gx1 s PRO 17 N -4.77 2.58 0.41 2.90 0.04 -1.26 -4.86 135.00 130.03 1gx1 s PRO 17 Ca 0.68 0.18 -0.01 0.00 0.04 0.00 0.00 61.00 61.89 1gx1 s PRO 17 Cb -0.20 -2.08 -0.03 0.00 0.04 0.00 0.00 34.50 32.23 1gx1 s PRO 17 CO 0.61 -1.12 0.65 0.96 0.04 0.00 0.00 177.00 178.14 1gx1 s ILE 18 N -3.31 4.80 -0.16 0.56 -4.36 -0.33 -4.69 121.20 113.71 1gx1 s ILE 18 Ca 0.58 -0.27 0.01 0.00 -0.26 0.00 0.00 60.65 60.71 1gx1 s ILE 18 Cb -0.11 -3.78 0.02 0.00 1.25 0.00 0.00 42.46 39.84 1gx1 s ILE 18 CO 0.49 -0.60 -0.17 -0.63 0.24 0.00 0.00 174.94 174.26 1gx1 s ILE 19 N -2.50 1.83 -0.04 8.37 1.01 -1.26 -0.65 121.20 127.95 1gx1 s ILE 19 Ca 0.44 -0.80 -0.00 0.00 0.00 0.00 0.00 60.65 60.29 1gx1 s ILE 19 Cb -0.10 -1.67 0.03 0.00 0.01 0.00 0.00 42.46 40.73 1gx1 s ILE 19 CO 0.39 0.50 -0.00 -0.63 0.00 0.00 0.00 174.94 175.20 1gx1 s ILE 20 N 1.31 0.28 -1.29 2.92 -1.09 -0.35 -4.01 121.20 118.97 1gx1 s ILE 20 Ca 0.03 0.08 0.00 0.00 -2.23 0.00 0.00 60.65 58.54 1gx1 s ILE 20 Cb -0.13 -0.39 0.00 0.00 -1.58 0.00 0.00 42.46 40.36 1gx1 s ILE 20 CO -0.10 0.19 0.00 0.61 -1.23 0.00 0.00 174.94 174.41 1gx1 n GLY 21 N 4.49 -0.10 2.82 6.18 0.00 -1.26 -1.56 105.19 115.76 1gx1 n GLY 21 Ca -0.19 -0.27 0.00 0.00 0.00 0.00 0.00 46.02 45.56 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 -1.03 0.53 3.48 -0.02 0.00 -1.26 -4.77 105.19 102.12 1gx1 n GLY 22 Ca -0.17 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.51 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 -2.43 3.64 -0.25 1.61 1.01 -0.60 -5.08 120.40 118.30 1gx1 s VAL 23 Ca 0.00 -0.46 -0.26 0.00 0.00 0.00 0.00 61.98 61.26 1gx1 s VAL 23 Cb 0.00 -2.56 0.00 0.00 0.00 0.00 0.00 36.38 33.82 1gx1 s VAL 23 CO 0.00 0.52 0.89 -0.13 0.00 0.00 0.00 175.10 176.39 1gx1 s ARG 24 N 0.12 4.18 -0.23 2.72 0.52 -1.26 -1.21 118.95 123.79 1gx1 s ARG 24 Ca -0.03 1.02 -0.02 0.00 -0.52 0.00 0.00 55.73 56.18 1gx1 s ARG 24 Cb -0.14 -3.66 0.01 0.00 0.52 0.00 0.00 34.95 31.68 1gx1 s ARG 24 CO 0.03 -0.58 -0.07 0.42 0.02 0.00 0.00 175.30 175.12 1gx1 s ILE 25 N 2.99 3.02 0.40 1.52 1.01 0.18 -4.96 121.20 125.37 1gx1 s ILE 25 Ca 0.38 -0.77 -0.26 0.00 0.00 0.00 0.00 60.65 60.00 1gx1 s ILE 25 Cb -0.15 -2.43 -0.10 0.00 0.01 0.00 0.00 42.46 39.78 1gx1 s ILE 25 CO 0.08 0.34 1.24 -2.65 0.00 0.00 0.00 174.94 173.95 1gx1 n PRO 26 N 4.73 1.90 -3.56 2.79 -0.02 -1.26 -1.19 135.00 138.39 1gx1 n PRO 26 Ca -0.18 0.67 -0.07 0.00 -2.02 0.00 0.00 63.50 61.90 1gx1 n PRO 26 Cb 0.49 -2.33 -0.02 0.00 -0.02 0.00 0.00 33.50 31.62 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 -1.18 -0.31 0.08 6.00 5.04 -1.26 -4.82 117.35 120.91 1gx1 s TYR 27 Ca 0.60 0.13 0.28 0.00 -2.44 0.00 0.00 57.07 55.64 1gx1 s TYR 27 Cb -0.53 0.56 1.05 0.00 0.35 0.00 0.00 41.96 43.40 1gx1 s TYR 27 CO 0.59 -0.63 1.87 1.05 -1.34 0.00 0.00 175.55 177.09 1gx1 h GLU 28 N 2.00 0.00 -5.23 4.97 4.11 -1.96 -3.24 114.58 115.22 1gx1 h GLU 28 Ca -0.23 0.00 -0.37 0.00 0.07 0.00 0.00 59.36 58.83 1gx1 h GLU 28 Cb 1.24 0.00 -0.16 0.00 0.50 0.00 0.00 28.75 30.33 1gx1 h GLU 28 CO 0.30 0.13 -0.74 0.15 0.07 0.00 0.00 179.01 178.92 1gx1 s LYS 29 N -3.63 1.04 0.34 1.06 1.02 -1.26 -4.23 119.74 114.08 1gx1 s LYS 29 Ca 0.01 -1.34 0.04 0.00 0.02 0.00 0.00 55.97 54.71 1gx1 s LYS 29 Cb 0.09 -0.76 0.06 0.00 -0.52 0.00 0.00 37.83 36.70 1gx1 s LYS 29 CO 0.60 0.12 0.47 0.41 -0.92 0.00 0.00 175.35 176.04 1gx1 n GLY 30 N 0.18 1.71 3.44 -3.33 0.00 -0.88 -3.59 105.19 102.72 1gx1 n GLY 30 Ca -0.13 -2.15 -0.35 0.00 0.00 0.00 0.00 46.02 43.40 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 3.21 0.19 0.99 1.43 -1.25 -0.98 118.68 122.27 1gx1 s LEU 31 Ca 0.35 -0.21 -0.30 0.00 -1.03 0.00 0.00 54.13 52.94 1gx1 s LEU 31 Cb -0.03 -1.80 -0.08 0.00 0.03 0.00 0.00 46.19 44.31 1gx1 s LEU 31 CO 0.22 0.08 0.99 -0.76 0.23 0.00 0.00 176.35 177.11 1gx1 s LEU 32 N 0.91 4.56 0.00 1.79 1.43 0.12 -4.72 118.68 122.77 1gx1 s LEU 32 Ca 0.01 1.95 0.00 0.00 -1.03 0.00 0.00 54.13 55.05 1gx1 s LEU 32 Cb -0.14 -3.60 0.00 0.00 0.03 0.00 0.00 46.19 42.47 1gx1 s LEU 32 CO 0.02 -0.01 0.00 0.00 0.23 0.00 0.00 176.35 176.59 1gx1 n ALA 33 N 2.07 0.00 -0.20 4.21 0.00 -1.26 -4.31 120.51 121.03 1gx1 n ALA 33 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.39 1gx1 n ALA 33 Cb 0.47 0.00 0.12 0.00 0.00 0.00 0.00 19.45 20.04 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 1.03 -3.48 0.00 3.86 -2.03 -3.43 115.15 111.09 1gx1 h HIS 34 Ca 0.00 -0.11 -0.23 0.00 -1.16 0.00 0.00 60.37 58.88 1gx1 h HIS 34 Cb 0.00 -0.30 0.07 0.00 1.06 0.00 0.00 27.41 28.25 1gx1 h HIS 34 CO 0.00 0.84 0.16 -1.13 0.86 0.00 0.00 177.93 178.66 1gx1 n SER 35 N -4.25 0.29 0.00 2.45 3.41 -1.26 -4.86 113.62 109.39 1gx1 n SER 35 Ca 0.05 -1.37 0.09 0.00 -0.26 0.00 0.00 58.87 57.38 1gx1 n SER 35 Cb 0.24 -0.45 0.45 0.00 -0.26 0.00 0.00 64.21 64.20 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 -3.26 0.00 -0.36 4.04 5.68 -1.26 -4.88 116.55 116.51 1gx1 n ASP 36 Ca 0.08 0.13 -0.05 0.00 -0.50 0.00 0.00 54.79 54.46 1gx1 n ASP 36 Cb 0.30 -0.34 -0.02 0.00 -1.14 0.00 0.00 41.12 39.92 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 0.32 0.69 3.56 6.12 0.00 -1.26 -4.67 105.19 109.96 1gx1 n GLY 37 Ca 0.08 -0.85 -0.33 0.00 0.00 0.00 0.00 46.02 44.92 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 -2.94 5.68 0.37 1.61 -1.08 -1.26 -4.80 116.67 114.25 1gx1 s ASP 38 Ca 0.00 -0.94 0.07 0.00 -0.52 0.00 0.00 52.55 51.16 1gx1 s ASP 38 Cb 0.00 -2.56 0.71 0.00 -1.46 0.00 0.00 42.92 39.61 1gx1 s ASP 38 CO 0.00 -2.25 1.91 1.62 0.52 0.00 0.00 175.17 176.97 1gx1 h VAL 39 N 7.05 1.18 -0.06 1.11 3.04 -1.93 -1.31 116.25 125.33 1gx1 h VAL 39 Ca 0.12 -0.75 -0.03 0.00 -1.01 0.00 0.00 66.70 65.04 1gx1 h VAL 39 Cb 1.01 1.05 -0.00 0.00 -2.01 0.00 0.00 31.29 31.35 1gx1 h VAL 39 CO 1.30 0.25 -0.07 0.00 -1.01 0.00 0.00 177.57 178.03 1gx1 h ALA 40 N 1.59 0.09 -0.27 3.17 0.00 -1.90 -1.53 119.26 120.40 1gx1 h ALA 40 Ca 0.08 -0.29 -0.07 0.00 0.00 0.00 0.00 54.91 54.63 1gx1 h ALA 40 Cb 0.33 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 1gx1 h ALA 40 CO 0.01 -0.09 -0.13 -0.07 0.00 0.00 0.00 179.25 178.97 1gx1 h LEU 41 N -0.30 0.44 -0.39 0.00 3.38 -1.89 -1.34 115.31 115.22 1gx1 h LEU 41 Ca 0.01 -0.11 -0.05 0.00 0.09 0.00 0.00 57.88 57.82 1gx1 h LEU 41 Cb 0.59 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.21 1gx1 h LEU 41 CO 0.02 0.60 0.06 0.45 0.09 0.00 0.00 178.44 179.66 1gx1 h HIS 42 N 0.43 0.69 -0.43 1.13 3.86 -1.16 0.03 115.15 119.68 1gx1 h HIS 42 Ca 0.08 -0.10 -0.05 0.00 -1.16 0.00 0.00 60.37 59.15 1gx1 h HIS 42 Cb 0.48 -0.19 -0.02 0.00 1.06 0.00 0.00 27.41 28.74 1gx1 h HIS 42 CO 0.01 0.69 0.09 0.00 0.86 0.00 0.00 177.93 179.58 1gx1 h ALA 43 N 0.91 0.57 -0.31 2.45 0.00 -1.16 -1.35 119.26 120.39 1gx1 h ALA 43 Ca 0.12 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 1gx1 h ALA 43 Cb 0.38 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1gx1 h ALA 43 CO 0.01 0.27 0.16 1.25 0.00 0.00 0.00 179.25 180.94 1gx1 h LEU 44 N 0.57 0.39 -0.58 0.00 5.85 -1.11 -1.11 115.31 119.32 1gx1 h LEU 44 Ca 0.13 -0.10 0.05 0.00 0.84 0.00 0.00 57.88 58.80 1gx1 h LEU 44 Cb 0.34 -0.10 -0.05 0.00 0.37 0.00 0.00 40.66 41.23 1gx1 h LEU 44 CO 0.00 0.38 0.31 0.74 -0.34 0.00 0.00 178.44 179.53 1gx1 h THR 45 N 0.37 0.97 -0.70 1.05 2.02 -0.84 -0.70 112.91 115.08 1gx1 h THR 45 Ca 0.11 -0.20 -0.03 0.00 0.77 0.00 0.00 66.41 67.06 1gx1 h THR 45 Cb 0.08 0.33 -0.03 0.00 -1.74 0.00 0.00 68.15 66.79 1gx1 h THR 45 CO -0.02 0.11 0.33 0.44 0.37 0.00 0.00 175.52 176.75 1gx1 h ASP 46 N 0.58 0.93 -0.56 4.18 3.32 -0.91 0.18 116.42 124.14 1gx1 h ASP 46 Ca 0.25 -0.14 0.00 0.00 0.02 0.00 0.00 57.03 57.17 1gx1 h ASP 46 Cb 0.15 -0.24 -0.03 0.00 0.22 0.00 0.00 39.33 39.43 1gx1 h ASP 46 CO -0.17 0.81 0.36 0.00 -1.72 0.00 0.00 179.24 178.52 1gx1 h ALA 47 N 1.16 0.71 -0.18 3.45 0.00 -0.70 0.45 119.26 124.15 1gx1 h ALA 47 Ca 0.24 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 1gx1 h ALA 47 Cb 0.14 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1gx1 h ALA 47 CO -0.03 0.16 0.07 -0.07 0.00 0.00 0.00 179.25 179.39 1gx1 h LEU 48 N 0.76 0.24 -0.83 0.00 3.38 -0.89 -0.82 115.31 117.15 1gx1 h LEU 48 Ca 0.20 -0.16 -0.03 0.00 0.09 0.00 0.00 57.88 57.98 1gx1 h LEU 48 Cb -0.06 -0.06 -0.04 0.00 0.09 0.00 0.00 40.66 40.59 1gx1 h LEU 48 CO -0.04 0.34 0.39 -0.07 0.09 0.00 0.00 178.44 179.14 1gx1 h LEU 49 N 0.14 1.10 -0.59 1.67 3.38 -0.78 -2.63 115.31 117.59 1gx1 h LEU 49 Ca 0.06 -0.14 -0.00 0.00 0.09 0.00 0.00 57.88 57.88 1gx1 h LEU 49 Cb 0.17 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.61 1gx1 h LEU 49 CO -0.01 0.93 0.35 1.23 0.09 0.00 0.00 178.44 181.04 1gx1 h GLY 50 N 1.19 0.86 1.79 0.83 0.00 0.20 -0.21 103.07 107.74 1gx1 h GLY 50 Ca 0.28 -0.37 0.00 0.00 0.00 0.00 0.00 47.33 47.25 1gx1 h GLY 50 CO -0.03 0.35 0.14 0.00 0.00 0.00 0.00 176.54 177.00 1gx1 h ALA 51 N 1.17 1.85 -0.06 3.60 0.00 -0.98 -2.13 119.26 122.72 1gx1 h ALA 51 Ca 0.21 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.11 1gx1 h ALA 51 Cb -0.01 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.70 1gx1 h ALA 51 CO -0.04 0.14 0.00 0.00 0.00 0.00 0.00 179.25 179.35 1gx1 n ALA 52 N -2.51 2.56 -3.93 0.00 0.00 -0.88 -4.66 120.51 111.09 1gx1 n ALA 52 Ca 0.00 -0.47 -0.30 0.00 0.00 0.00 0.00 53.44 52.67 1gx1 n ALA 52 Cb 0.07 -1.14 0.02 0.00 0.00 0.00 0.00 19.45 18.40 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 0.23 -1.39 -0.59 0.00 0.00 -0.76 -4.90 120.51 113.10 1gx1 n ALA 53 Ca 0.18 0.11 0.09 0.00 0.00 0.00 0.00 53.44 53.83 1gx1 n ALA 53 Cb 0.35 -3.98 0.33 0.00 0.00 0.00 0.00 19.45 16.15 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 -4.60 4.50 0.00 0.00 4.77 -0.16 -5.03 117.00 116.48 1gx1 n LEU 54 Ca -0.00 -2.41 0.00 0.00 -0.03 0.00 0.00 56.01 53.57 1gx1 n LEU 54 Cb 0.54 -0.54 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1gx1 n LEU 54 CO 0.76 0.82 0.00 0.61 -1.33 0.00 0.00 177.39 178.25 1gx1 n GLY 55 N 1.02 1.27 3.68 -0.72 0.00 -1.26 -4.81 105.19 104.38 1gx1 n GLY 55 Ca 0.24 -0.87 -0.11 0.00 0.00 0.00 0.00 46.02 45.28 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 0.27 0.31 1.61 1.47 -1.26 -4.16 116.67 110.90 1gx1 s ASP 56 Ca 0.00 -1.18 0.02 0.00 1.18 0.00 0.00 52.55 52.57 1gx1 s ASP 56 Cb 0.00 0.75 0.49 0.00 -0.34 0.00 0.00 42.92 43.82 1gx1 s ASP 56 CO 0.00 -1.46 1.84 0.16 0.68 0.00 0.00 175.17 176.39 1gx1 h ILE 57 N 2.07 1.21 -0.18 2.11 3.07 -1.92 -1.72 117.51 122.15 1gx1 h ILE 57 Ca -0.29 -0.82 -0.08 0.00 1.55 0.00 0.00 64.86 65.22 1gx1 h ILE 57 Cb 1.25 0.83 -0.01 0.00 -0.27 0.00 0.00 36.82 38.62 1gx1 h ILE 57 CO 0.38 0.29 -0.23 1.23 -1.05 0.00 0.00 178.15 178.77 1gx1 h GLY 58 N 0.90 0.36 1.38 0.16 0.00 -1.97 0.16 103.07 104.06 1gx1 h GLY 58 Ca 0.14 -0.27 -0.19 0.00 0.00 0.00 0.00 47.33 47.01 1gx1 h GLY 58 CO 0.01 0.25 -0.65 1.70 0.00 0.00 0.00 176.54 177.84 1gx1 h LYS 59 N 0.30 0.63 -0.14 4.80 3.64 -1.72 -2.81 116.57 121.27 1gx1 h LYS 59 Ca 0.05 -0.45 -0.21 0.00 -1.27 0.00 0.00 60.65 58.77 1gx1 h LYS 59 Cb 0.57 0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.47 1gx1 h LYS 59 CO 0.04 1.07 -0.74 -0.07 -2.27 0.00 0.00 179.45 177.49 1gx1 h LEU 60 N 0.46 0.79 -6.52 5.20 4.07 -1.03 -3.37 115.31 114.90 1gx1 h LEU 60 Ca -0.02 -0.51 -0.60 0.00 0.08 0.00 0.00 57.88 56.83 1gx1 h LEU 60 Cb 1.23 -0.23 -0.41 0.00 1.08 0.00 0.00 40.66 42.33 1gx1 h LEU 60 CO 0.13 1.29 -0.65 0.49 -1.08 0.00 0.00 178.44 178.61 1gx1 n PHE 61 N -3.91 2.88 -1.71 1.13 3.72 0.01 -5.10 117.46 114.48 1gx1 n PHE 61 Ca -0.06 -4.11 -0.38 0.00 -0.05 0.00 0.00 57.45 52.84 1gx1 n PHE 61 Cb 0.72 -0.51 0.05 0.00 -0.94 0.00 0.00 39.48 38.79 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 1.43 1.48 -0.09 -1.08 -0.02 -1.06 -4.63 135.00 131.02 1gx1 n PRO 62 Ca 0.26 0.55 0.11 0.00 -2.02 0.00 0.00 63.50 62.39 1gx1 n PRO 62 Cb 0.40 -2.48 0.47 0.00 -0.02 0.00 0.00 33.50 31.87 1gx1 n PRO 62 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 1gx1 h ASP 63 N 1.18 0.42 0.07 2.55 3.45 -1.98 -0.23 116.42 121.89 1gx1 h ASP 63 Ca -0.50 0.01 0.00 0.00 0.43 0.00 0.00 57.03 56.97 1gx1 h ASP 63 Cb 1.32 -0.08 0.00 0.00 -0.56 0.00 0.00 39.33 40.01 1gx1 h ASP 63 CO 0.56 0.26 -0.02 1.07 -1.57 0.00 0.00 179.24 179.53 1gx1 n THR 64 N -4.47 0.00 -3.03 0.35 5.66 -1.26 -4.78 114.28 106.74 1gx1 n THR 64 Ca 0.10 -0.10 -0.42 0.00 -3.05 0.00 0.00 64.05 60.57 1gx1 n THR 64 Cb 0.33 -0.04 -0.06 0.00 -1.55 0.00 0.00 70.33 69.01 1gx1 n THR 64 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 1gx1 s ASP 65 N -2.11 6.50 0.41 1.09 -1.08 -0.10 -4.95 116.67 116.43 1gx1 s ASP 65 Ca 0.40 0.27 0.17 0.00 -0.52 0.00 0.00 52.55 52.87 1gx1 s ASP 65 Cb 0.21 -2.36 0.89 0.00 -1.46 0.00 0.00 42.92 40.20 1gx1 s ASP 65 CO 0.38 -0.66 1.87 -0.65 0.52 0.00 0.00 175.17 176.63 1gx1 h PRO 66 N 8.45 0.00 -0.75 4.34 0.11 -1.86 -3.37 132.00 138.92 1gx1 h PRO 66 Ca -0.25 0.00 0.14 0.00 0.11 0.00 0.00 66.00 66.00 1gx1 h PRO 66 Cb 1.10 0.00 -0.14 0.00 0.11 0.00 0.00 31.00 32.07 1gx1 h PRO 66 CO 0.87 0.31 -0.25 0.00 -0.21 0.00 0.00 178.00 178.72 1gx1 h ALA 67 N 1.69 0.35 -0.39 -0.75 0.00 -1.95 -2.75 119.26 115.45 1gx1 h ALA 67 Ca -0.00 0.27 0.00 0.00 0.00 0.00 0.00 54.91 55.18 1gx1 h ALA 67 Cb 0.62 0.68 0.00 0.00 0.00 0.00 0.00 17.79 19.08 1gx1 h ALA 67 CO 0.04 -0.49 0.00 1.19 0.00 0.00 0.00 179.25 179.99 1gx1 n PHE 68 N -5.49 0.52 -1.88 0.00 3.72 -1.26 -4.95 117.46 108.12 1gx1 n PHE 68 Ca 0.09 -0.44 -0.42 0.00 -0.05 0.00 0.00 57.45 56.64 1gx1 n PHE 68 Cb 0.39 -0.02 -0.02 0.00 -0.94 0.00 0.00 39.48 38.89 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 -1.02 4.19 0.00 -1.08 2.20 -1.04 -1.56 119.74 121.43 1gx1 s LYS 69 Ca 0.28 2.44 0.00 0.00 -0.36 0.00 0.00 55.97 58.33 1gx1 s LYS 69 Cb 0.15 -3.10 0.00 0.00 -1.51 0.00 0.00 37.83 33.37 1gx1 s LYS 69 CO 0.20 -0.59 0.00 0.41 -0.36 0.00 0.00 175.35 175.01 1gx1 n GLY 70 N 2.99 1.89 3.77 5.54 0.00 -1.26 -5.04 105.19 113.09 1gx1 n GLY 70 Ca 0.11 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.35 3.04 0.65 4.61 0.00 -0.60 -5.01 121.76 122.09 1gx1 s ALA 71 Ca 0.00 1.00 -0.11 0.00 0.00 0.00 0.00 51.96 52.85 1gx1 s ALA 71 Cb 0.00 -3.40 -0.02 0.00 0.00 0.00 0.00 23.12 19.69 1gx1 s ALA 71 CO 0.00 -0.69 1.05 0.16 0.00 0.00 0.00 175.76 176.28 1gx1 s ASP 72 N -1.21 5.96 0.56 0.00 1.47 -1.26 -4.65 116.67 117.53 1gx1 s ASP 72 Ca 0.62 1.33 0.34 0.00 1.18 0.00 0.00 52.55 56.02 1gx1 s ASP 72 Cb -0.31 -2.29 1.52 0.00 -0.34 0.00 0.00 42.92 41.50 1gx1 s ASP 72 CO 0.38 -1.03 2.05 0.28 0.68 0.00 0.00 175.17 177.52 1gx1 h SER 73 N -0.44 0.00 -0.06 2.11 0.02 -1.96 -1.72 113.55 111.51 1gx1 h SER 73 Ca -0.44 0.00 -0.14 0.00 -0.84 0.00 0.00 61.79 60.37 1gx1 h SER 73 Cb 1.21 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.74 1gx1 h SER 73 CO 0.63 0.03 -0.42 0.03 -1.14 0.00 0.00 176.83 175.96 1gx1 h ARG 74 N 0.00 0.59 -0.65 3.45 3.08 -1.98 -1.31 114.38 117.56 1gx1 h ARG 74 Ca -0.00 -0.31 -0.07 0.00 0.07 0.00 0.00 59.98 59.67 1gx1 h ARG 74 Cb 0.43 0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.46 1gx1 h ARG 74 CO 0.00 0.90 0.13 0.93 -1.07 0.00 0.00 179.97 180.86 1gx1 h GLU 75 N 0.48 1.05 -0.38 0.04 5.08 -1.69 -1.74 114.58 117.42 1gx1 h GLU 75 Ca 0.04 -0.26 -0.16 0.00 -1.00 0.00 0.00 59.36 57.98 1gx1 h GLU 75 Cb 0.93 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 30.04 1gx1 h GLU 75 CO 0.08 0.95 -0.39 -0.07 -1.00 0.00 0.00 179.01 178.58 1gx1 h LEU 76 N 0.99 0.97 -0.28 1.33 3.38 -1.33 -1.73 115.31 118.64 1gx1 h LEU 76 Ca 0.20 -0.45 -0.01 0.00 0.09 0.00 0.00 57.88 57.72 1gx1 h LEU 76 Cb 0.39 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 1gx1 h LEU 76 CO 0.01 1.24 0.15 0.25 0.09 0.00 0.00 178.44 180.17 1gx1 h LEU 77 N 0.74 0.36 -1.16 1.67 5.85 -1.10 -1.44 115.31 120.23 1gx1 h LEU 77 Ca 0.06 -0.10 -0.04 0.00 0.84 0.00 0.00 57.88 58.63 1gx1 h LEU 77 Cb 0.98 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.89 1gx1 h LEU 77 CO 0.09 0.36 0.10 0.03 -0.34 0.00 0.00 178.44 178.69 1gx1 h ARG 78 N 0.34 0.69 -0.08 1.25 3.08 -1.13 -0.89 114.38 117.64 1gx1 h ARG 78 Ca 0.10 -0.13 -0.23 0.00 0.07 0.00 0.00 59.98 59.79 1gx1 h ARG 78 Cb 0.09 -0.11 0.01 0.00 0.08 0.00 0.00 29.97 30.04 1gx1 h ARG 78 CO -0.01 0.63 -0.87 1.49 -1.07 0.00 0.00 179.97 180.14 1gx1 h GLU 79 N 0.67 0.64 -0.42 0.04 4.57 -1.13 -1.01 114.58 117.95 1gx1 h GLU 79 Ca 0.15 -0.59 0.00 0.00 -1.18 0.00 0.00 59.36 57.74 1gx1 h GLU 79 Cb 0.26 0.14 -0.02 0.00 -0.16 0.00 0.00 28.75 28.98 1gx1 h GLU 79 CO -0.00 1.20 0.27 0.00 -1.18 0.00 0.00 179.01 179.30 1gx1 h ALA 80 N 0.61 0.53 -0.65 2.92 0.00 -1.09 -1.95 119.26 119.64 1gx1 h ALA 80 Ca -0.07 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 1gx1 h ALA 80 Cb 1.49 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 19.08 1gx1 h ALA 80 CO 0.17 -0.00 0.37 2.35 0.00 0.00 0.00 179.25 182.13 1gx1 h TRP 81 N 0.56 0.86 -0.60 0.00 -0.00 -1.06 0.11 115.95 115.83 1gx1 h TRP 81 Ca 0.15 -0.01 -0.05 0.00 -0.00 0.00 0.00 58.89 58.98 1gx1 h TRP 81 Cb -0.04 -0.28 -0.03 0.00 -0.00 0.00 0.00 29.16 28.81 1gx1 h TRP 81 CO -0.04 0.59 0.17 -0.09 -0.00 0.00 0.00 178.44 179.07 1gx1 h ARG 82 N 0.90 0.95 -0.08 2.65 2.43 -0.77 0.17 114.38 120.62 1gx1 h ARG 82 Ca 0.23 -0.22 -0.14 0.00 -0.81 0.00 0.00 59.98 59.05 1gx1 h ARG 82 Cb 0.00 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.41 1gx1 h ARG 82 CO -0.04 0.86 -0.56 0.00 -1.51 0.00 0.00 179.97 178.71 1gx1 h ARG 83 N 0.87 0.24 -0.33 0.20 3.08 -0.47 -1.58 114.38 116.38 1gx1 h ARG 83 Ca 0.19 -0.16 -0.11 0.00 0.07 0.00 0.00 59.98 59.98 1gx1 h ARG 83 Cb 0.32 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.38 1gx1 h ARG 83 CO -0.00 0.74 -0.22 0.82 -1.07 0.00 0.00 179.97 180.24 1gx1 h ILE 84 N 0.19 1.29 -0.03 2.04 2.04 -0.64 -3.10 117.51 119.30 1gx1 h ILE 84 Ca -0.00 -1.36 -0.06 0.00 1.00 0.00 0.00 64.86 64.43 1gx1 h ILE 84 Cb 1.05 1.45 -0.01 0.00 -0.74 0.00 0.00 36.82 38.56 1gx1 h ILE 84 CO 0.09 0.44 -0.29 1.56 0.00 0.00 0.00 178.15 179.95 1gx1 h GLN 85 N 0.51 0.05 0.00 2.37 4.20 -0.68 -2.22 115.11 119.33 1gx1 h GLN 85 Ca 0.07 -0.01 -0.01 0.00 0.06 0.00 0.00 58.65 58.75 1gx1 h GLN 85 Cb 0.78 -0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.55 1gx1 h GLN 85 CO 0.06 0.33 -0.04 0.00 -0.67 0.00 0.00 178.83 178.51 1gx1 h ALA 86 N 1.67 1.06 -0.02 3.87 0.00 -1.22 -0.56 119.26 124.05 1gx1 h ALA 86 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1gx1 h ALA 86 Cb 0.53 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.32 1gx1 h ALA 86 CO 0.04 0.06 0.00 1.63 0.00 0.00 0.00 179.25 180.97 1gx1 n LYS 87 N -3.22 1.29 0.00 0.00 5.02 -0.84 -4.93 118.16 115.49 1gx1 n LYS 87 Ca -0.01 -0.43 0.00 0.00 -2.02 0.00 0.00 58.31 55.86 1gx1 n LYS 87 Cb 0.25 -1.45 0.00 0.00 -0.02 0.00 0.00 35.03 33.81 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 1.04 0.73 3.89 0.72 0.00 -0.22 -5.10 105.19 106.26 1gx1 n GLY 88 Ca 0.20 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.91 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 3.45 0.35 1.61 2.02 -1.22 -4.66 117.35 116.89 1gx1 s TYR 89 Ca 0.00 0.77 0.05 0.00 -0.37 0.00 0.00 57.07 57.52 1gx1 s TYR 89 Cb 0.00 -2.19 -0.07 0.00 -0.40 0.00 0.00 41.96 39.31 1gx1 s TYR 89 CO 0.00 0.26 0.04 0.95 -1.57 0.00 0.00 175.55 175.23 1gx1 s THR 90 N -1.88 1.41 -0.01 -0.71 -4.23 0.30 -4.33 115.64 106.19 1gx1 s THR 90 Ca 0.46 -2.00 -0.24 0.00 -1.18 0.00 0.00 61.69 58.72 1gx1 s THR 90 Cb -0.11 -2.85 -0.05 0.00 1.34 0.00 0.00 72.50 70.84 1gx1 s THR 90 CO 0.24 -0.00 0.73 -0.22 -0.54 0.00 0.00 174.62 174.83 1gx1 s LEU 91 N -3.55 4.39 0.00 4.79 2.96 -1.26 -0.07 118.68 125.95 1gx1 s LEU 91 Ca 0.36 1.33 0.00 0.00 -0.22 0.00 0.00 54.13 55.60 1gx1 s LEU 91 Cb 0.09 -3.16 0.00 0.00 0.50 0.00 0.00 46.19 43.62 1gx1 s LEU 91 CO 0.16 -0.04 0.00 0.61 -1.32 0.00 0.00 176.35 175.76 1gx1 n GLY 92 N 2.69 0.52 3.57 7.98 0.00 0.79 -4.74 105.19 116.01 1gx1 n GLY 92 Ca -0.02 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.90 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 -1.64 -0.43 0.08 1.61 4.22 -1.05 -4.86 114.94 112.86 1gx1 s ASN 93 Ca 0.00 -0.19 0.03 0.00 -2.14 0.00 0.00 52.86 50.56 1gx1 s ASN 93 Cb 0.00 0.60 -0.03 0.00 1.28 0.00 0.00 41.25 43.09 1gx1 s ASN 93 CO 0.00 -1.02 -0.09 0.68 -2.04 0.00 0.00 177.10 174.63 1gx1 s VAL 94 N -3.68 0.78 -0.05 3.54 -7.23 -0.31 -1.34 120.40 112.11 1gx1 s VAL 94 Ca 0.05 -1.55 -0.03 0.00 -1.81 0.00 0.00 61.98 58.64 1gx1 s VAL 94 Cb -0.02 -1.23 0.03 0.00 0.56 0.00 0.00 36.38 35.71 1gx1 s VAL 94 CO -0.06 -0.57 0.12 -0.62 -0.31 0.00 0.00 175.10 173.66 1gx1 s ASP 95 N -2.33 -0.09 -0.00 4.85 2.15 -0.62 -1.68 116.67 118.94 1gx1 s ASP 95 Ca 0.03 0.24 0.05 0.00 0.43 0.00 0.00 52.55 53.30 1gx1 s ASP 95 Cb -0.03 0.18 -0.01 0.00 -0.30 0.00 0.00 42.92 42.75 1gx1 s ASP 95 CO -0.01 -0.10 -0.16 -0.69 -0.17 0.00 0.00 175.17 174.04 1gx1 s VAL 96 N 0.69 1.28 -0.20 1.11 1.01 -0.12 -1.13 120.40 123.04 1gx1 s VAL 96 Ca -0.05 -0.75 0.00 0.00 0.00 0.00 0.00 61.98 61.18 1gx1 s VAL 96 Cb -0.07 -1.07 0.05 0.00 0.00 0.00 0.00 36.38 35.28 1gx1 s VAL 96 CO -0.03 0.32 -0.07 -0.89 0.00 0.00 0.00 175.10 174.43 1gx1 s THR 97 N -0.45 1.40 -0.05 3.92 2.01 0.71 -0.96 115.64 122.22 1gx1 s THR 97 Ca 0.06 -0.92 -0.23 0.00 0.31 0.00 0.00 61.69 60.91 1gx1 s THR 97 Cb -0.06 -1.57 -0.04 0.00 0.01 0.00 0.00 72.50 70.83 1gx1 s THR 97 CO -0.00 0.08 0.68 -0.63 -0.69 0.00 0.00 174.62 174.05 1gx1 s ILE 98 N 1.49 5.01 -0.30 1.82 1.01 0.36 -0.83 121.20 129.75 1gx1 s ILE 98 Ca -0.02 1.40 0.00 0.00 0.00 0.00 0.00 60.65 62.04 1gx1 s ILE 98 Cb -0.17 -4.02 0.07 0.00 0.01 0.00 0.00 42.46 38.35 1gx1 s ILE 98 CO -0.08 0.29 -0.01 -0.63 0.00 0.00 0.00 174.94 174.52 1gx1 s ILE 99 N 0.58 2.67 -0.27 2.92 1.01 0.78 -0.76 121.20 128.13 1gx1 s ILE 99 Ca 0.36 -1.65 -0.20 0.00 0.00 0.00 0.00 60.65 59.15 1gx1 s ILE 99 Cb -0.18 -2.63 0.07 0.00 0.01 0.00 0.00 42.46 39.73 1gx1 s ILE 99 CO 0.18 -0.20 0.69 0.00 0.00 0.00 0.00 174.94 175.60 1gx1 s ALA 100 N 1.15 -1.77 0.23 9.38 0.00 -0.62 -1.22 121.76 128.90 1gx1 s ALA 100 Ca -0.03 2.16 0.07 0.00 0.00 0.00 0.00 51.96 54.16 1gx1 s ALA 100 Cb -0.20 -1.26 0.20 0.00 0.00 0.00 0.00 23.12 21.86 1gx1 s ALA 100 CO -0.03 -0.35 1.52 0.37 0.00 0.00 0.00 175.76 177.27 1gx1 h GLN 101 N 5.93 0.08 -1.72 0.00 5.75 -1.82 -3.34 115.11 119.99 1gx1 h GLN 101 Ca -0.30 -0.07 0.13 0.00 -0.15 0.00 0.00 58.65 58.27 1gx1 h GLN 101 Cb 1.19 0.02 -0.20 0.00 1.07 0.00 0.00 27.48 29.55 1gx1 h GLN 101 CO 0.11 0.75 0.61 0.00 -2.65 0.00 0.00 178.83 177.66 1gx1 s ALA 102 N -3.46 -1.94 0.96 3.38 0.00 -1.26 -4.83 121.76 114.61 1gx1 s ALA 102 Ca -0.02 1.44 -0.15 0.00 0.00 0.00 0.00 51.96 53.24 1gx1 s ALA 102 Cb 0.12 -0.33 0.18 0.00 0.00 0.00 0.00 23.12 23.09 1gx1 s ALA 102 CO 0.79 -0.47 1.20 -1.25 0.00 0.00 0.00 175.76 176.03 1gx1 s PRO 103 N -1.95 0.68 1.17 0.00 0.04 -1.26 -5.03 135.00 128.65 1gx1 s PRO 103 Ca 0.03 -0.05 -0.17 0.00 0.04 0.00 0.00 61.00 60.86 1gx1 s PRO 103 Cb -0.01 -1.82 0.27 0.00 0.04 0.00 0.00 34.50 32.99 1gx1 s PRO 103 CO -0.03 -2.45 1.07 0.21 0.04 0.00 0.00 177.00 175.84 1gx1 s LYS 104 N -5.56 -0.94 0.00 4.56 2.47 -1.26 -5.00 119.74 114.00 1gx1 s LYS 104 Ca 0.68 0.25 0.00 0.00 -1.56 0.00 0.00 55.97 55.34 1gx1 s LYS 104 Cb -0.09 -1.60 0.00 0.00 -1.46 0.00 0.00 37.83 34.67 1gx1 s LYS 104 CO 0.53 -3.59 0.00 -0.11 0.16 0.00 0.00 175.35 172.34 1gx1 n LEU 106 N -4.73 0.00 0.26 5.43 7.94 -1.26 -4.72 117.00 119.92 1gx1 n LEU 106 Ca 0.09 0.00 0.10 0.00 -1.11 0.00 0.00 56.01 55.09 1gx1 n LEU 106 Cb 0.58 0.00 0.70 0.00 0.53 0.00 0.00 43.42 45.23 1gx1 n LEU 106 CO 0.50 0.00 1.02 -0.65 -1.11 0.00 0.00 177.39 177.15 1gx1 h PRO 107 N 0.00 0.00 0.00 1.96 0.11 -2.04 -2.54 132.00 129.49 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 0.08 -0.89 0.72 -0.21 0.00 0.00 178.00 177.69 1gx1 n HIS 108 N -4.11 0.14 -0.24 0.65 8.25 -1.26 -4.48 115.22 114.17 1gx1 n HIS 108 Ca -0.03 0.04 -0.01 0.00 -0.26 0.00 0.00 57.72 57.46 1gx1 n HIS 108 Cb 0.16 -0.29 0.10 0.00 1.12 0.00 0.00 29.99 31.08 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 0.96 -0.84 1.59 2.04 -1.85 -2.29 117.51 117.12 1gx1 h ILE 109 Ca 0.00 -0.24 0.13 0.00 1.00 0.00 0.00 64.86 65.76 1gx1 h ILE 109 Cb 0.62 0.20 -0.09 0.00 -0.74 0.00 0.00 36.82 36.82 1gx1 h ILE 109 CO 0.00 0.13 0.44 -0.65 0.00 0.00 0.00 178.15 178.07 1gx1 h PRO 110 N 0.69 0.64 -1.66 2.37 0.11 -1.78 -1.42 132.00 130.95 1gx1 h PRO 110 Ca 0.31 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.38 1gx1 h PRO 110 Cb 0.20 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 31.17 1gx1 h PRO 110 CO -0.19 0.42 0.00 0.94 -0.21 0.00 0.00 178.00 178.96 1gx1 n GLN 111 N -4.84 0.53 0.00 1.05 -0.06 -0.86 -2.10 117.38 111.09 1gx1 n GLN 111 Ca 0.16 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.16 1gx1 n GLN 111 Cb 0.40 -1.24 0.00 0.00 -4.06 0.00 0.00 30.24 25.34 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 1.09 0.00 -0.16 3.69 1.74 -0.54 -1.92 116.66 120.57 1gx1 n ARG 113 Ca 0.00 0.00 -0.08 0.00 -0.77 0.00 0.00 57.85 57.00 1gx1 n ARG 113 Cb 0.26 0.00 0.01 0.00 -1.02 0.00 0.00 32.46 31.71 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 1.16 -0.70 1.55 2.07 -1.70 -0.51 116.25 118.13 1gx1 h VAL 114 Ca 0.00 -0.39 -0.06 0.00 0.82 0.00 0.00 66.70 67.07 1gx1 h VAL 114 Cb 0.00 0.56 -0.03 0.00 -1.52 0.00 0.00 31.29 30.30 1gx1 h VAL 114 CO 0.00 0.17 0.20 -0.26 0.02 0.00 0.00 177.57 177.70 1gx1 h PHE 115 N 0.63 1.15 -0.28 1.57 0.04 -1.68 0.06 116.94 118.43 1gx1 h PHE 115 Ca 0.17 -0.12 -0.08 0.00 2.80 0.00 0.00 57.97 60.74 1gx1 h PHE 115 Cb 0.03 -0.33 -0.01 0.00 2.20 0.00 0.00 35.95 37.84 1gx1 h PHE 115 CO -0.02 0.92 -0.12 0.82 -0.60 0.00 0.00 178.31 179.31 1gx1 h ILE 116 N 1.04 1.29 -0.87 -0.55 2.04 -1.80 -1.55 117.51 117.12 1gx1 h ILE 116 Ca 0.22 -1.20 -0.01 0.00 1.00 0.00 0.00 64.86 64.88 1gx1 h ILE 116 Cb 0.33 1.49 -0.04 0.00 -0.74 0.00 0.00 36.82 37.86 1gx1 h ILE 116 CO -0.00 0.38 0.51 0.00 0.00 0.00 0.00 178.15 179.04 1gx1 h ALA 117 N 0.75 1.27 -0.50 1.87 0.00 -0.90 -0.08 119.26 121.66 1gx1 h ALA 117 Ca 0.06 -0.10 -0.10 0.00 0.00 0.00 0.00 54.91 54.77 1gx1 h ALA 117 Cb 0.63 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 1gx1 h ALA 117 CO 0.04 0.62 -0.07 0.93 0.00 0.00 0.00 179.25 180.77 1gx1 h GLU 118 N 1.20 0.93 -0.01 0.00 5.08 -0.86 -0.14 114.58 120.78 1gx1 h GLU 118 Ca 0.31 -0.33 -0.09 0.00 -1.00 0.00 0.00 59.36 58.25 1gx1 h GLU 118 Cb -0.03 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.14 1gx1 h GLU 118 CO -0.06 0.99 -0.43 -0.44 -1.00 0.00 0.00 179.01 178.08 1gx1 h ASP 119 N 0.79 0.03 -0.00 1.42 3.32 -0.61 -2.70 116.42 118.66 1gx1 h ASP 119 Ca 0.13 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.17 1gx1 h ASP 119 Cb 0.61 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.15 1gx1 h ASP 119 CO 0.04 0.45 -0.17 0.18 -1.72 0.00 0.00 179.24 178.02 1gx1 n LEU 120 N -4.03 2.38 -3.03 1.55 4.77 -0.11 -4.77 117.00 113.77 1gx1 n LEU 120 Ca -0.02 -0.81 -0.22 0.00 -0.03 0.00 0.00 56.01 54.93 1gx1 n LEU 120 Cb 0.46 -0.01 0.04 0.00 -2.33 0.00 0.00 43.42 41.58 1gx1 n LEU 120 CO 0.40 0.41 0.03 0.61 -1.33 0.00 0.00 177.39 177.51 1gx1 n GLY 121 N 1.35 -0.50 3.76 -0.72 0.00 -0.19 -4.96 105.19 103.93 1gx1 n GLY 121 Ca 0.13 0.13 -0.32 0.00 0.00 0.00 0.00 46.02 45.96 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 -1.27 0.00 0.00 0.00 8.25 -1.26 -4.62 115.22 116.32 1gx1 n HIS 123 Ca -0.16 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.30 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 -1.02 0.41 4.64 -1.26 -4.01 116.55 115.31 1gx1 n ASP 125 Ca 0.00 0.00 0.12 0.00 -1.38 0.00 0.00 54.79 53.53 1gx1 n ASP 125 Cb 0.00 0.00 0.18 0.00 -1.04 0.00 0.00 41.12 40.26 1gx1 n ASP 125 CO 0.00 0.00 0.00 0.47 -0.82 0.00 0.00 177.20 176.85 1gx1 n ASP 126 N 0.00 3.11 -4.03 1.67 8.00 -1.26 -4.91 116.55 119.13 1gx1 n ASP 126 Ca 0.00 -1.97 -0.29 0.00 0.71 0.00 0.00 54.79 53.25 1gx1 n ASP 126 Cb 0.00 -0.12 -0.17 0.00 -0.02 0.00 0.00 41.12 40.81 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 -1.76 1.45 0.01 2.53 1.01 -1.26 -1.16 120.40 121.23 1gx1 s VAL 127 Ca 0.34 -0.59 0.05 0.00 0.00 0.00 0.00 61.98 61.77 1gx1 s VAL 127 Cb 0.21 -1.35 -0.02 0.00 0.00 0.00 0.00 36.38 35.23 1gx1 s VAL 127 CO 0.31 0.43 -0.15 0.21 0.00 0.00 0.00 175.10 175.90 1gx1 s ASN 128 N 1.17 1.82 -0.01 3.32 2.47 -0.68 -4.99 114.94 118.05 1gx1 s ASN 128 Ca -0.03 -0.35 0.02 0.00 0.42 0.00 0.00 52.86 52.92 1gx1 s ASN 128 Cb -0.14 -0.17 -0.00 0.00 -1.45 0.00 0.00 41.25 39.48 1gx1 s ASN 128 CO -0.04 0.14 -0.06 -0.69 -3.72 0.00 0.00 177.10 172.72 1gx1 s VAL 129 N -0.54 0.51 0.29 -5.21 1.01 -1.26 -0.95 120.40 114.25 1gx1 s VAL 129 Ca 0.05 -0.26 0.04 0.00 0.00 0.00 0.00 61.98 61.81 1gx1 s VAL 129 Cb -0.07 -0.44 -0.03 0.00 0.00 0.00 0.00 36.38 35.84 1gx1 s VAL 129 CO 0.00 0.15 0.23 -1.59 0.00 0.00 0.00 175.10 173.89 1gx1 s LYS 130 N -0.06 1.57 0.06 2.72 -2.85 -0.14 -4.95 119.74 116.09 1gx1 s LYS 130 Ca 0.01 -1.88 -0.08 0.00 -1.00 0.00 0.00 55.97 53.02 1gx1 s LYS 130 Cb -0.04 0.31 -0.00 0.00 -2.06 0.00 0.00 37.83 36.04 1gx1 s LYS 130 CO -0.00 -0.56 0.16 0.00 0.10 0.00 0.00 175.35 175.05 1gx1 s ALA 131 N -3.68 -0.20 0.06 0.59 0.00 -1.26 -0.49 121.76 116.77 1gx1 s ALA 131 Ca 0.40 -0.53 -0.11 0.00 0.00 0.00 0.00 51.96 51.72 1gx1 s ALA 131 Cb 0.04 0.36 0.01 0.00 0.00 0.00 0.00 23.12 23.53 1gx1 s ALA 131 CO 0.22 -0.42 0.25 -0.08 0.00 0.00 0.00 175.76 175.74 1gx1 s THR 132 N -3.21 0.10 0.49 0.00 -1.32 0.06 -4.91 115.64 106.85 1gx1 s THR 132 Ca -0.00 -0.85 0.06 0.00 -1.21 0.00 0.00 61.69 59.69 1gx1 s THR 132 Cb 0.02 -1.03 0.03 0.00 -1.51 0.00 0.00 72.50 70.01 1gx1 s THR 132 CO -0.07 -0.47 0.67 0.42 -2.21 0.00 0.00 174.62 172.96 1gx1 s THR 133 N -2.93 2.76 -0.30 5.08 -4.23 -1.26 -1.59 115.64 113.17 1gx1 s THR 133 Ca -0.02 -0.89 0.10 0.00 -1.18 0.00 0.00 61.69 59.69 1gx1 s THR 133 Cb 0.01 -2.87 0.56 0.00 1.34 0.00 0.00 72.50 71.53 1gx1 s THR 133 CO -0.06 0.00 1.56 0.35 -0.54 0.00 0.00 174.62 175.93 1gx1 n THR 134 N -2.08 2.64 -3.76 3.99 -2.24 -1.26 -4.92 114.28 106.65 1gx1 n THR 134 Ca 0.09 -2.38 -0.24 0.00 -2.27 0.00 0.00 64.05 59.26 1gx1 n THR 134 Cb 0.60 -0.34 0.03 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 -0.95 -5.20 -1.15 -0.78 -0.58 -1.26 -1.43 120.64 109.30 1gx1 n GLU 135 Ca 0.36 0.62 -0.05 0.00 -0.42 0.00 0.00 57.16 57.67 1gx1 n GLU 135 Cb 1.14 -5.29 -0.02 0.00 -0.57 0.00 0.00 31.44 26.70 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 -4.42 -1.39 -3.85 3.49 4.76 -1.26 -5.01 118.16 110.47 1gx1 n LYS 136 Ca -0.19 0.60 -0.30 0.00 -2.87 0.00 0.00 58.31 55.55 1gx1 n LYS 136 Cb 0.63 -4.75 -0.04 0.00 -1.84 0.00 0.00 35.03 29.03 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 -1.15 4.33 0.00 -0.35 1.43 -0.51 -4.14 118.68 118.28 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 -3.04 0.00 0.00 0.03 0.00 0.00 46.19 43.18 1gx1 s LEU 137 CO 0.00 0.11 0.00 0.61 0.23 0.00 0.00 176.35 177.30 1gx1 n GLY 138 N 0.06 -2.09 0.30 -3.19 0.00 -1.26 -1.53 105.19 97.48 1gx1 n GLY 138 Ca -0.05 -1.39 0.00 0.00 0.00 0.00 0.00 46.02 44.58 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 -0.39 0.67 -0.29 1.61 -0.00 -1.97 0.06 116.94 116.63 1gx1 h PHE 139 Ca 0.01 -0.03 -0.09 0.00 -0.00 0.00 0.00 57.97 57.86 1gx1 h PHE 139 Cb 0.39 -0.21 -0.01 0.00 -0.00 0.00 0.00 35.95 36.12 1gx1 h PHE 139 CO 0.00 0.53 -0.15 1.79 -0.00 0.00 0.00 178.31 180.48 1gx1 h THR 140 N 0.66 1.29 -0.36 0.88 1.35 -1.77 -0.95 112.91 114.01 1gx1 h THR 140 Ca 0.16 -1.25 -0.02 0.00 -0.55 0.00 0.00 66.41 64.75 1gx1 h THR 140 Cb 0.16 1.48 -0.02 0.00 -1.73 0.00 0.00 68.15 68.04 1gx1 h THR 140 CO -0.01 0.40 0.15 1.23 -0.25 0.00 0.00 175.52 177.04 1gx1 h GLY 141 N 0.37 0.54 1.24 5.82 0.00 -0.70 -0.06 103.07 110.27 1gx1 h GLY 141 Ca 0.06 -0.25 0.00 0.00 0.00 0.00 0.00 47.33 47.15 1gx1 h GLY 141 CO 0.04 0.24 0.00 0.54 0.00 0.00 0.00 176.54 177.36 1gx1 n ARG 142 N -4.40 0.73 -1.97 4.80 1.74 -0.04 -4.42 116.66 113.10 1gx1 n ARG 142 Ca 0.02 0.01 -0.05 0.00 -0.77 0.00 0.00 57.85 57.05 1gx1 n ARG 142 Cb 0.13 -1.50 -0.01 0.00 -1.02 0.00 0.00 32.46 30.07 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 1.02 0.24 0.13 -0.13 0.00 -0.04 -4.95 105.19 101.46 1gx1 n GLY 143 Ca 0.19 -0.68 0.03 0.00 0.00 0.00 0.00 46.02 45.55 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 0.00 0.00 0.00 1.61 5.08 -1.37 -3.46 114.58 116.44 1gx1 h GLU 144 Ca -0.13 0.00 0.10 0.00 -1.00 0.00 0.00 59.36 58.33 1gx1 h GLU 144 Cb 0.99 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.22 1gx1 h GLU 144 CO 0.15 0.39 0.29 0.41 -1.00 0.00 0.00 179.01 179.26 1gx1 n GLY 145 N 1.27 0.72 3.16 -3.84 0.00 -1.25 -1.17 105.19 104.07 1gx1 n GLY 145 Ca -0.01 -0.96 -0.22 0.00 0.00 0.00 0.00 46.02 44.83 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 -2.22 1.24 0.32 -0.61 1.01 -0.50 -4.41 121.20 116.03 1gx1 s ILE 146 Ca 0.10 -0.92 0.09 0.00 0.00 0.00 0.00 60.65 59.92 1gx1 s ILE 146 Cb -0.01 -1.08 -0.06 0.00 0.01 0.00 0.00 42.46 41.32 1gx1 s ILE 146 CO 0.01 0.15 -0.10 0.00 0.00 0.00 0.00 174.94 175.00 1gx1 s ALA 147 N -0.68 2.79 -0.13 9.38 0.00 -0.35 -1.85 121.76 130.92 1gx1 s ALA 147 Ca 0.04 -2.03 -0.12 0.00 0.00 0.00 0.00 51.96 49.86 1gx1 s ALA 147 Cb -0.07 -0.01 0.04 0.00 0.00 0.00 0.00 23.12 23.07 1gx1 s ALA 147 CO 0.01 0.06 0.35 0.00 0.00 0.00 0.00 175.76 176.18 1gx1 s GLU 149 N 0.35 1.97 0.04 0.00 2.02 -0.01 -1.31 118.70 121.75 1gx1 s GLU 149 Ca -0.01 -1.16 -0.09 0.00 0.02 0.00 0.00 54.97 53.73 1gx1 s GLU 149 Cb -0.03 -2.18 0.00 0.00 0.10 0.00 0.00 34.13 32.01 1gx1 s GLU 149 CO -0.01 0.47 0.18 0.00 0.02 0.00 0.00 175.26 175.92 1gx1 s ALA 150 N -1.34 -0.33 0.09 5.21 0.00 -0.40 -0.21 121.76 124.77 1gx1 s ALA 150 Ca 0.21 -0.29 0.03 0.00 0.00 0.00 0.00 51.96 51.91 1gx1 s ALA 150 Cb -0.10 0.26 -0.04 0.00 0.00 0.00 0.00 23.12 23.24 1gx1 s ALA 150 CO 0.13 -0.34 -0.09 0.14 0.00 0.00 0.00 175.76 175.60 1gx1 s VAL 151 N -2.44 0.80 -0.00 0.00 -7.23 -0.28 -1.04 120.40 110.20 1gx1 s VAL 151 Ca -0.06 -1.62 -0.10 0.00 -1.81 0.00 0.00 61.98 58.39 1gx1 s VAL 151 Cb -0.02 -1.31 0.01 0.00 0.56 0.00 0.00 36.38 35.62 1gx1 s VAL 151 CO -0.03 -0.61 0.20 0.00 -0.31 0.00 0.00 175.10 174.34 1gx1 s ALA 152 N -2.58 -0.49 -0.10 1.32 0.00 -0.71 -1.58 121.76 117.61 1gx1 s ALA 152 Ca 0.04 0.03 0.02 0.00 0.00 0.00 0.00 51.96 52.05 1gx1 s ALA 152 Cb -0.02 0.11 0.01 0.00 0.00 0.00 0.00 23.12 23.22 1gx1 s ALA 152 CO -0.01 -0.23 -0.18 -1.17 0.00 0.00 0.00 175.76 174.17 1gx1 s LEU 153 N -1.39 1.84 0.26 0.00 2.96 -0.45 -1.29 118.68 120.60 1gx1 s LEU 153 Ca -0.14 -0.46 0.08 0.00 -0.22 0.00 0.00 54.13 53.40 1gx1 s LEU 153 Cb -0.07 -1.16 -0.04 0.00 0.50 0.00 0.00 46.19 45.42 1gx1 s LEU 153 CO 0.02 0.06 0.08 -0.76 -1.32 0.00 0.00 176.35 174.43 1gx1 s LEU 154 N 0.77 3.45 0.01 -0.68 1.43 -0.16 -0.15 118.68 123.34 1gx1 s LEU 154 Ca -0.11 -0.48 0.08 0.00 -1.03 0.00 0.00 54.13 52.59 1gx1 s LEU 154 Cb -0.16 -1.97 -0.02 0.00 0.03 0.00 0.00 46.19 44.07 1gx1 s LEU 154 CO 0.02 -0.01 -0.24 -0.63 0.23 0.00 0.00 176.35 175.72 1gx1 s ILE 155 N -2.24 1.89 0.00 -0.59 1.01 0.90 -1.48 121.20 120.70 1gx1 s ILE 155 Ca 0.32 -1.13 0.00 0.00 0.00 0.00 0.00 60.65 59.84 1gx1 s ILE 155 Cb -0.07 -1.59 0.00 0.00 0.01 0.00 0.00 42.46 40.81 1gx1 s ILE 155 CO 0.22 0.43 0.00 1.17 0.00 0.00 0.00 174.94 176.76