#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gix n PHE 3 N 0.00 0.00 -4.07 1.43 3.01 -1.26 -5.10 117.46 111.48 3gix n PHE 3 Ca 0.00 0.00 -0.22 0.00 1.01 0.00 0.00 57.45 58.24 3gix n PHE 3 Cb 0.00 -0.88 -0.04 0.00 -0.01 0.00 0.00 39.48 38.56 3gix n PHE 3 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 3gix s LEU 4 N -6.11 3.97 -0.10 4.37 1.43 -1.26 -5.02 118.68 115.97 3gix s LEU 4 Ca -0.26 -0.15 -0.22 0.00 -1.03 0.00 0.00 54.13 52.47 3gix s LEU 4 Cb 0.07 -2.51 -0.04 0.00 0.03 0.00 0.00 46.19 43.75 3gix s LEU 4 CO 0.57 -0.05 0.63 -0.76 0.23 0.00 0.00 176.35 176.97 3gix s LEU 5 N -3.89 4.28 0.49 1.79 1.43 -1.26 -5.04 118.68 116.48 3gix s LEU 5 Ca 0.33 1.04 -0.21 0.00 -1.03 0.00 0.00 54.13 54.26 3gix s LEU 5 Cb -0.08 -2.95 -0.08 0.00 0.03 0.00 0.00 46.19 43.11 3gix s LEU 5 CO 0.26 -0.10 1.08 -2.16 0.23 0.00 0.00 176.35 175.66 3gix s PRO 6 N 0.88 3.73 -0.11 1.29 0.04 -1.26 -4.87 135.00 134.70 3gix s PRO 6 Ca 0.33 1.49 -0.01 0.00 0.04 0.00 0.00 61.00 62.85 3gix s PRO 6 Cb -0.17 -2.16 -0.03 0.00 0.04 0.00 0.00 34.50 32.18 3gix s PRO 6 CO 0.15 -0.51 -0.07 0.15 0.04 0.00 0.00 177.00 176.75 3gix s LYS 7 N -3.09 3.24 -0.05 4.56 1.02 -1.26 -0.75 119.74 123.41 3gix s LYS 7 Ca 0.67 -0.57 0.03 0.00 0.02 0.00 0.00 55.97 56.12 3gix s LYS 7 Cb -0.20 -2.71 -0.03 0.00 -0.52 0.00 0.00 37.83 34.37 3gix s LYS 7 CO 0.24 0.40 -0.13 -0.51 -0.92 0.00 0.00 175.35 174.43 3gix s LEU 8 N -0.10 2.79 -0.04 3.17 1.43 0.56 -4.95 118.68 121.53 3gix s LEU 8 Ca 0.01 -0.18 0.11 0.00 -1.03 0.00 0.00 54.13 53.04 3gix s LEU 8 Cb -0.13 -1.57 0.20 0.00 0.03 0.00 0.00 46.19 44.71 3gix s LEU 8 CO 0.03 0.35 1.09 0.35 0.23 0.00 0.00 176.35 178.39 3gix n THR 9 N 2.32 0.55 -3.48 5.49 -2.24 -1.26 -2.01 114.28 113.64 3gix n THR 9 Ca -0.17 -0.96 -0.13 0.00 -2.27 0.00 0.00 64.05 60.51 3gix n THR 9 Cb 0.52 0.42 -0.03 0.00 -2.10 0.00 0.00 70.33 69.14 3gix n THR 9 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3gix s SER 10 N -1.80 -0.54 0.24 3.42 1.04 -1.26 -4.71 113.70 110.09 3gix s SER 10 Ca 0.18 0.13 -0.06 0.00 0.48 0.00 0.00 55.95 56.68 3gix s SER 10 Cb 0.18 0.56 0.34 0.00 0.10 0.00 0.00 66.02 67.20 3gix s SER 10 CO -0.04 -0.86 1.82 0.50 0.98 0.00 0.00 173.24 175.64 3gix h LYS 11 N 2.33 0.80 -0.59 4.02 3.11 -1.90 -2.35 116.57 121.98 3gix h LYS 11 Ca -0.32 -0.05 -0.04 0.00 -2.81 0.00 0.00 60.65 57.43 3gix h LYS 11 Cb 1.26 -0.18 -0.03 0.00 -1.00 0.00 0.00 32.23 32.28 3gix h LYS 11 CO 0.39 0.53 0.20 -0.22 -2.81 0.00 0.00 179.45 177.54 3gix h LYS 12 N 0.83 0.89 -0.55 1.90 3.64 -1.96 0.01 116.57 121.33 3gix h LYS 12 Ca 0.37 -0.16 -0.10 0.00 -1.27 0.00 0.00 60.65 59.49 3gix h LYS 12 Cb 0.26 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 31.91 3gix h LYS 12 CO -0.21 0.76 -0.04 0.93 -2.27 0.00 0.00 179.45 178.62 3gix h GLU 13 N 0.87 0.99 -0.44 1.90 5.08 -1.87 -1.18 114.58 119.93 3gix h GLU 13 Ca 0.20 -0.32 -0.08 0.00 -1.00 0.00 0.00 59.36 58.15 3gix h GLU 13 Cb 0.23 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.38 3gix h GLU 13 CO -0.01 1.00 -0.05 0.28 -1.00 0.00 0.00 179.01 179.23 3gix h VAL 14 N 0.90 1.27 -0.71 3.13 2.07 -0.87 -1.27 116.25 120.76 3gix h VAL 14 Ca 0.16 -1.12 0.06 0.00 0.82 0.00 0.00 66.70 66.61 3gix h VAL 14 Cb 0.58 1.11 -0.06 0.00 -1.52 0.00 0.00 31.29 31.41 3gix h VAL 14 CO 0.03 0.38 0.41 0.44 0.02 0.00 0.00 177.57 178.86 3gix h ASP 15 N 0.64 0.62 -0.13 0.57 3.32 -0.80 -0.74 116.42 119.90 3gix h ASP 15 Ca 0.12 0.03 -0.13 0.00 0.02 0.00 0.00 57.03 57.06 3gix h ASP 15 Cb 0.56 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 40.00 3gix h ASP 15 CO 0.03 0.40 -0.36 1.56 -1.72 0.00 0.00 179.24 179.16 3gix h GLN 16 N 0.76 0.64 -0.52 3.56 7.50 -0.99 -1.59 115.11 124.46 3gix h GLN 16 Ca 0.31 -0.31 -0.08 0.00 0.50 0.00 0.00 58.65 59.08 3gix h GLN 16 Cb 0.17 -0.00 -0.02 0.00 0.05 0.00 0.00 27.48 27.68 3gix h GLN 16 CO -0.18 0.90 0.01 0.00 -1.50 0.00 0.00 178.83 178.06 3gix h ALA 17 N 1.07 1.03 -0.53 3.87 0.00 -0.52 -0.02 119.26 124.16 3gix h ALA 17 Ca 0.05 -0.28 -0.04 0.00 0.00 0.00 0.00 54.91 54.65 3gix h ALA 17 Cb 0.87 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 3gix h ALA 17 CO 0.07 0.60 0.17 0.82 0.00 0.00 0.00 179.25 180.91 3gix h ILE 18 N 0.81 1.23 0.00 0.00 2.04 -0.77 -2.36 117.51 118.46 3gix h ILE 18 Ca 0.16 -0.78 -0.06 0.00 1.00 0.00 0.00 64.86 65.18 3gix h ILE 18 Cb 0.47 0.74 -0.01 0.00 -0.74 0.00 0.00 36.82 37.29 3gix h ILE 18 CO 0.02 0.29 -0.47 0.11 0.00 0.00 0.00 178.15 178.10 3gix h LYS 19 N 0.72 0.00 -0.01 2.37 6.56 -0.94 -3.34 116.57 121.93 3gix h LYS 19 Ca 0.17 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.76 3gix h LYS 19 Cb 0.27 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.93 3gix h LYS 19 CO -0.01 0.23 -0.61 -1.13 -2.06 0.00 0.00 179.45 175.87 3gix n SER 20 N -3.07 1.26 -4.50 0.86 3.41 -0.05 -4.85 113.62 106.67 3gix n SER 20 Ca 0.01 -1.13 -0.43 0.00 -0.26 0.00 0.00 58.87 57.06 3gix n SER 20 Cb 0.65 0.75 -0.05 0.00 -0.26 0.00 0.00 64.21 65.30 3gix n SER 20 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 3gix s THR 21 N -2.37 4.51 -0.13 6.66 2.01 -0.90 -5.01 115.64 120.41 3gix s THR 21 Ca 0.10 0.02 -0.04 0.00 0.31 0.00 0.00 61.69 62.08 3gix s THR 21 Cb 0.14 -4.49 -0.03 0.00 0.01 0.00 0.00 72.50 68.12 3gix s THR 21 CO 0.59 -1.07 0.02 0.00 -0.69 0.00 0.00 174.62 173.48 3gix s ALA 22 N 3.62 3.32 -2.10 7.40 0.00 -1.26 -4.15 121.76 128.58 3gix s ALA 22 Ca 0.26 -0.78 0.00 0.00 0.00 0.00 0.00 51.96 51.44 3gix s ALA 22 Cb -0.15 -1.66 0.00 0.00 0.00 0.00 0.00 23.12 21.31 3gix s ALA 22 CO 0.16 0.41 0.00 -0.85 0.00 0.00 0.00 175.76 175.48 3gix n GLU 23 N 2.77 -1.52 -4.03 0.00 -0.00 -1.26 -4.96 120.64 111.65 3gix n GLU 23 Ca -0.18 1.17 -0.09 0.00 -0.00 0.00 0.00 57.16 58.06 3gix n GLU 23 Cb 0.53 -5.63 -0.11 0.00 -0.00 0.00 0.00 31.44 26.23 3gix n GLU 23 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.13 177.28 3gix s LYS 24 N -4.10 0.44 -0.10 3.44 1.02 -1.26 -4.94 119.74 114.24 3gix s LYS 24 Ca 0.00 -0.80 -0.30 0.00 0.02 0.00 0.00 55.97 54.89 3gix s LYS 24 Cb 0.00 0.04 -0.03 0.00 -0.52 0.00 0.00 37.83 37.32 3gix s LYS 24 CO 0.00 -0.04 1.36 0.08 -0.92 0.00 0.00 175.35 175.83 3gix s VAL 25 N -2.06 4.04 -0.22 3.17 1.01 -0.07 -4.46 120.40 121.82 3gix s VAL 25 Ca -0.09 1.31 -0.22 0.00 0.00 0.00 0.00 61.98 62.98 3gix s VAL 25 Cb -0.06 -3.84 -0.02 0.00 0.00 0.00 0.00 36.38 32.46 3gix s VAL 25 CO -0.03 -0.08 0.68 -0.22 0.00 0.00 0.00 175.10 175.45 3gix s LEU 26 N 3.28 4.11 -0.24 3.92 2.96 0.40 -0.80 118.68 132.30 3gix s LEU 26 Ca 0.60 0.87 -0.06 0.00 -0.22 0.00 0.00 54.13 55.32 3gix s LEU 26 Cb -0.26 -2.96 -0.02 0.00 0.50 0.00 0.00 46.19 43.45 3gix s LEU 26 CO 0.20 -0.35 0.03 -0.69 -1.32 0.00 0.00 176.35 174.22 3gix s VAL 27 N 2.26 3.95 -0.31 1.68 1.01 -0.11 -1.15 120.40 127.73 3gix s VAL 27 Ca 0.30 -0.31 -0.02 0.00 0.00 0.00 0.00 61.98 61.95 3gix s VAL 27 Cb -0.16 -2.84 0.06 0.00 0.00 0.00 0.00 36.38 33.44 3gix s VAL 27 CO 0.10 0.36 0.02 -0.76 0.00 0.00 0.00 175.10 174.81 3gix s LEU 28 N 1.56 4.02 -0.48 3.92 1.43 0.17 -0.82 118.68 128.49 3gix s LEU 28 Ca 0.06 -1.35 -0.21 0.00 -1.03 0.00 0.00 54.13 51.60 3gix s LEU 28 Cb -0.15 -1.72 0.04 0.00 0.03 0.00 0.00 46.19 44.39 3gix s LEU 28 CO 0.01 -0.29 0.70 -0.60 0.23 0.00 0.00 176.35 176.41 3gix s ARG 29 N 1.24 3.25 -0.17 1.70 3.00 -0.16 -1.35 118.95 126.45 3gix s ARG 29 Ca -0.04 -0.48 -0.25 0.00 -1.00 0.00 0.00 55.73 53.96 3gix s ARG 29 Cb -0.20 -4.01 -0.02 0.00 0.00 0.00 0.00 34.95 30.72 3gix s ARG 29 CO -0.01 -1.17 0.80 -0.06 0.00 0.00 0.00 175.30 174.86 3gix s PHE 30 N 3.01 3.42 0.00 5.12 0.40 0.62 -0.33 117.98 130.21 3gix s PHE 30 Ca 0.22 1.22 0.00 0.00 -0.60 0.00 0.00 56.93 57.77 3gix s PHE 30 Cb -0.15 -2.98 0.00 0.00 0.51 0.00 0.00 43.02 40.40 3gix s PHE 30 CO 0.17 -0.22 0.00 0.41 0.70 0.00 0.00 175.22 176.28 3gix n GLY 31 N 3.49 0.89 2.89 4.36 0.00 -0.58 -1.74 105.19 114.50 3gix n GLY 31 Ca 0.04 -0.60 -0.21 0.00 0.00 0.00 0.00 46.02 45.25 3gix n GLY 31 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3gix s ARG 32 N 1.01 0.90 0.59 1.61 0.52 -1.26 -1.61 118.95 120.71 3gix s ARG 32 Ca 0.00 -0.11 0.29 0.00 -0.52 0.00 0.00 55.73 55.39 3gix s ARG 32 Cb 0.00 -0.92 1.71 0.00 0.52 0.00 0.00 34.95 36.26 3gix s ARG 32 CO 0.00 -0.10 2.15 -0.44 0.02 0.00 0.00 175.30 176.93 3gix h ASP 33 N 7.31 0.00 -0.02 0.23 3.32 -1.96 -1.79 116.42 123.51 3gix h ASP 33 Ca -0.35 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.70 3gix h ASP 33 Cb 1.15 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.70 3gix h ASP 33 CO 0.45 0.00 -0.20 -0.62 -1.72 0.00 0.00 179.24 177.15 3gix n GLU 34 N -3.82 1.77 -1.97 3.56 -0.58 -1.26 -4.39 120.64 113.94 3gix n GLU 34 Ca -0.00 -1.45 -0.42 0.00 -0.42 0.00 0.00 57.16 54.87 3gix n GLU 34 Cb 0.24 -1.43 -0.03 0.00 -0.57 0.00 0.00 31.44 29.65 3gix n GLU 34 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 3gix s ASP 35 N -2.09 6.62 0.39 1.62 -1.08 -0.67 -4.85 116.67 116.61 3gix s ASP 35 Ca 0.22 2.60 0.08 0.00 -0.52 0.00 0.00 52.55 54.93 3gix s ASP 35 Cb 0.18 -2.60 0.83 0.00 -1.46 0.00 0.00 42.92 39.87 3gix s ASP 35 CO 0.39 -0.78 2.00 -0.65 0.52 0.00 0.00 175.17 176.65 3gix h PRO 36 N 6.44 0.61 -0.03 4.34 0.11 -1.91 0.25 132.00 141.81 3gix h PRO 36 Ca -0.43 -0.04 -0.22 0.00 0.11 0.00 0.00 66.00 65.42 3gix h PRO 36 Cb 1.21 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.18 3gix h PRO 36 CO 0.88 0.40 -0.89 0.28 -0.21 0.00 0.00 178.00 178.47 3gix h VAL 37 N 0.63 1.37 -0.81 3.15 2.07 -1.90 -1.75 116.25 119.01 3gix h VAL 37 Ca 0.25 -2.31 0.05 0.00 0.82 0.00 0.00 66.70 65.50 3gix h VAL 37 Cb 0.19 2.30 -0.05 0.00 -1.52 0.00 0.00 31.29 32.21 3gix h VAL 37 CO -0.07 0.70 0.51 0.00 0.02 0.00 0.00 177.57 178.72 3gix h LEU 39 N 0.95 0.86 0.03 0.00 3.38 -0.30 0.51 115.31 120.75 3gix h LEU 39 Ca 0.34 -0.08 -0.00 0.00 0.09 0.00 0.00 57.88 58.23 3gix h LEU 39 Cb 0.10 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.63 3gix h LEU 39 CO -0.15 0.69 -0.02 -0.61 0.09 0.00 0.00 178.44 178.44 3gix h GLN 40 N 0.96 -0.04 -0.61 1.13 4.15 -0.94 -2.18 115.11 117.58 3gix h GLN 40 Ca 0.25 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.67 3gix h GLN 40 Cb -0.00 0.01 -0.03 0.00 0.21 0.00 0.00 27.48 27.67 3gix h GLN 40 CO -0.04 0.05 0.39 1.25 -1.93 0.00 0.00 178.83 178.54 3gix h LEU 41 N -0.12 0.72 -1.50 -2.39 5.85 -0.80 -2.89 115.31 114.17 3gix h LEU 41 Ca -0.00 -0.04 -0.03 0.00 0.84 0.00 0.00 57.88 58.65 3gix h LEU 41 Cb 0.11 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 40.95 3gix h LEU 41 CO 0.01 0.54 0.02 0.44 -0.34 0.00 0.00 178.44 179.11 3gix h ASP 42 N 0.83 0.31 -0.61 1.25 3.32 0.09 0.14 116.42 121.75 3gix h ASP 42 Ca 0.22 -0.04 -0.09 0.00 0.02 0.00 0.00 57.03 57.15 3gix h ASP 42 Cb -0.06 -0.08 -0.02 0.00 0.22 0.00 0.00 39.33 39.39 3gix h ASP 42 CO -0.05 0.35 0.05 -0.78 -1.72 0.00 0.00 179.24 177.10 3gix h ASP 43 N 0.34 1.02 -0.42 6.45 1.82 -1.20 -0.11 116.42 124.32 3gix h ASP 43 Ca 0.08 -0.28 -0.01 0.00 -0.39 0.00 0.00 57.03 56.43 3gix h ASP 43 Cb 0.19 -0.27 -0.02 0.00 0.68 0.00 0.00 39.33 39.91 3gix h ASP 43 CO 0.00 1.05 0.23 0.40 -1.61 0.00 0.00 179.24 179.31 3gix h ILE 44 N 0.95 1.15 -0.37 2.25 2.04 -0.89 -0.60 117.51 122.04 3gix h ILE 44 Ca 0.18 -0.39 0.00 0.00 1.00 0.00 0.00 64.86 65.66 3gix h ILE 44 Cb 0.50 0.65 -0.02 0.00 -0.74 0.00 0.00 36.82 37.21 3gix h ILE 44 CO 0.02 0.16 0.24 -0.07 0.00 0.00 0.00 178.15 178.50 3gix h LEU 45 N 0.54 0.42 -0.04 1.44 3.38 -0.67 -0.68 115.31 119.69 3gix h LEU 45 Ca 0.15 -0.01 0.02 0.00 0.09 0.00 0.00 57.88 58.12 3gix h LEU 45 Cb 0.05 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.67 3gix h LEU 45 CO -0.02 0.31 -0.05 0.28 0.09 0.00 0.00 178.44 179.04 3gix h SER 46 N 0.49 -0.16 0.11 -0.43 0.02 -0.83 -1.97 113.55 110.78 3gix h SER 46 Ca 0.13 0.03 -0.11 0.00 -0.84 0.00 0.00 61.79 61.00 3gix h SER 46 Cb -0.05 0.08 -0.01 0.00 0.14 0.00 0.00 62.40 62.56 3gix h SER 46 CO -0.03 -0.08 -0.39 0.11 -1.14 0.00 0.00 176.83 175.30 3gix h LYS 47 N -0.07 0.38 0.00 3.45 1.79 -0.87 -3.05 116.57 118.20 3gix h LYS 47 Ca 0.04 -0.18 0.00 0.00 -2.18 0.00 0.00 60.65 58.33 3gix h LYS 47 Cb 0.13 -0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.77 3gix h LYS 47 CO -0.09 0.71 -0.67 0.25 -1.08 0.00 0.00 179.45 178.58 3gix n THR 48 N -4.04 0.03 -0.37 -0.16 -2.24 -0.28 -4.42 114.28 102.81 3gix n THR 48 Ca -0.01 -0.04 -0.02 0.00 -2.27 0.00 0.00 64.05 61.71 3gix n THR 48 Cb 0.48 0.39 0.11 0.00 -2.10 0.00 0.00 70.33 69.22 3gix n THR 48 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 3gix h SER 49 N 0.00 1.12 0.21 3.42 4.64 -1.24 -1.75 113.55 119.96 3gix h SER 49 Ca 0.00 -0.02 -0.01 0.00 -0.47 0.00 0.00 61.79 61.29 3gix h SER 49 Cb 0.53 -0.27 0.00 0.00 -0.31 0.00 0.00 62.40 62.35 3gix h SER 49 CO 0.00 0.80 -0.10 -1.28 -0.87 0.00 0.00 176.83 175.37 3gix h SER 50 N 1.31 -0.24 -0.00 4.97 0.87 -1.78 -0.37 113.55 118.31 3gix h SER 50 Ca 0.37 -0.10 0.00 0.00 -1.23 0.00 0.00 61.79 60.83 3gix h SER 50 Cb -0.11 0.06 -0.00 0.00 -0.44 0.00 0.00 62.40 61.91 3gix h SER 50 CO -0.09 -0.04 0.00 0.44 -0.53 0.00 0.00 176.83 176.61 3gix h ASP 51 N -0.44 0.00 -0.10 6.23 5.19 -1.77 -2.28 116.42 123.26 3gix h ASP 51 Ca -0.03 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.38 3gix h ASP 51 Cb 0.33 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.84 3gix h ASP 51 CO 0.05 0.00 0.00 0.18 -3.12 0.00 0.00 179.24 176.35 3gix n LEU 52 N -3.39 2.91 0.30 1.55 4.77 -0.68 -4.65 117.00 117.81 3gix n LEU 52 Ca -0.03 -1.10 0.17 0.00 -0.03 0.00 0.00 56.01 55.02 3gix n LEU 52 Cb 0.08 -0.05 0.99 0.00 -2.33 0.00 0.00 43.42 42.11 3gix n LEU 52 CO 0.23 0.53 1.14 0.77 -1.33 0.00 0.00 177.39 178.73 3gix h SER 53 N 4.23 0.00 0.92 -1.43 4.64 -0.45 0.34 113.55 121.80 3gix h SER 53 Ca 0.00 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.21 3gix h SER 53 Cb 0.91 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.98 3gix h SER 53 CO 0.00 0.00 -0.54 0.11 -0.87 0.00 0.00 176.83 175.53 3gix h LYS 54 N 0.00 0.00 0.00 4.77 1.79 -1.83 -3.36 116.57 117.95 3gix h LYS 54 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 3gix h LYS 54 Cb 0.03 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.68 3gix h LYS 54 CO -0.00 0.54 -1.39 -1.33 -1.08 0.00 0.00 179.45 176.19 3gix n MET 55 N -3.52 0.95 -3.68 3.15 2.81 0.97 -4.90 117.12 112.90 3gix n MET 55 Ca -0.00 -0.10 -0.15 0.00 -1.81 0.00 0.00 57.70 55.65 3gix n MET 55 Cb 0.63 -1.29 -0.08 0.00 -0.71 0.00 0.00 33.22 31.78 3gix n MET 55 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3gix s ALA 56 N -2.80 -1.17 -0.15 3.04 0.00 0.06 -0.89 121.76 119.86 3gix s ALA 56 Ca -0.03 0.90 0.01 0.00 0.00 0.00 0.00 51.96 52.85 3gix s ALA 56 Cb 0.09 -0.21 0.02 0.00 0.00 0.00 0.00 23.12 23.02 3gix s ALA 56 CO 0.58 -0.28 -0.18 0.00 0.00 0.00 0.00 175.76 175.88 3gix s ALA 57 N -0.82 2.06 -0.16 0.00 0.00 0.02 -4.32 121.76 118.54 3gix s ALA 57 Ca -0.09 -1.00 -0.04 0.00 0.00 0.00 0.00 51.96 50.83 3gix s ALA 57 Cb -0.03 -1.02 -0.03 0.00 0.00 0.00 0.00 23.12 22.04 3gix s ALA 57 CO 0.05 -0.20 -0.03 0.42 0.00 0.00 0.00 175.76 175.99 3gix s ILE 58 N 1.13 3.91 0.03 0.00 1.01 -1.26 -0.94 121.20 125.08 3gix s ILE 58 Ca -0.01 -0.35 0.05 0.00 0.00 0.00 0.00 60.65 60.34 3gix s ILE 58 Cb -0.14 -2.72 -0.02 0.00 0.01 0.00 0.00 42.46 39.59 3gix s ILE 58 CO -0.07 0.48 -0.14 -0.31 0.00 0.00 0.00 174.94 174.91 3gix s TYR 59 N 0.46 1.20 -0.10 3.97 1.51 0.00 -4.20 117.35 120.18 3gix s TYR 59 Ca -0.03 -0.33 -0.10 0.00 -1.01 0.00 0.00 57.07 55.60 3gix s TYR 59 Cb -0.14 -0.72 -0.05 0.00 -0.11 0.00 0.00 41.96 40.94 3gix s TYR 59 CO 0.03 0.02 0.23 -0.51 -1.11 0.00 0.00 175.55 174.21 3gix s LEU 60 N -0.98 4.37 -0.10 -1.29 1.43 0.08 -0.99 118.68 121.19 3gix s LEU 60 Ca 0.02 0.58 0.02 0.00 -1.03 0.00 0.00 54.13 53.72 3gix s LEU 60 Cb -0.07 -2.25 0.01 0.00 0.03 0.00 0.00 46.19 43.91 3gix s LEU 60 CO 0.01 0.31 -0.16 -0.69 0.23 0.00 0.00 176.35 176.06 3gix s VAL 61 N -0.65 1.47 -0.53 -1.59 1.01 0.55 -0.32 120.40 120.35 3gix s VAL 61 Ca 0.17 -0.65 -0.28 0.00 0.00 0.00 0.00 61.98 61.22 3gix s VAL 61 Cb -0.13 -1.33 0.02 0.00 0.00 0.00 0.00 36.38 34.93 3gix s VAL 61 CO 0.06 0.43 1.30 -0.62 0.00 0.00 0.00 175.10 176.27 3gix s ASP 62 N 0.82 6.35 0.45 3.32 -1.08 -0.85 -1.53 116.67 124.15 3gix s ASP 62 Ca -0.10 0.36 0.12 0.00 -0.52 0.00 0.00 52.55 52.41 3gix s ASP 62 Cb -0.16 -2.55 1.04 0.00 -1.46 0.00 0.00 42.92 39.79 3gix s ASP 62 CO 0.01 -1.52 2.06 1.62 0.52 0.00 0.00 175.17 177.87 3gix h VAL 63 N 6.31 1.01 0.00 1.11 3.04 -1.65 -1.14 116.25 124.93 3gix h VAL 63 Ca -0.26 -0.12 0.00 0.00 -1.01 0.00 0.00 66.70 65.31 3gix h VAL 63 Cb 1.08 0.64 0.00 0.00 -2.01 0.00 0.00 31.29 31.00 3gix h VAL 63 CO 1.16 0.06 0.00 0.47 -1.01 0.00 0.00 177.57 178.25 3gix n ASP 64 N -4.49 0.44 -0.47 3.17 10.43 -1.26 -3.56 116.55 120.82 3gix n ASP 64 Ca 0.03 0.58 0.04 0.00 2.57 0.00 0.00 54.79 58.01 3gix n ASP 64 Cb 0.16 -0.68 0.10 0.00 1.84 0.00 0.00 41.12 42.55 3gix n ASP 64 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 3gix n GLN 65 N -1.95 2.42 -2.74 -1.24 6.02 -0.44 -4.69 117.38 114.76 3gix n GLN 65 Ca 0.04 -1.77 -0.21 0.00 -0.01 0.00 0.00 57.00 55.06 3gix n GLN 65 Cb 0.29 -1.20 -0.01 0.00 1.02 0.00 0.00 30.24 30.34 3gix n GLN 65 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 177.06 178.46 3gix n THR 66 N 0.33 1.76 -0.27 5.09 -1.04 -1.19 -4.20 114.28 114.76 3gix n THR 66 Ca 0.08 -4.53 0.08 0.00 -2.04 0.00 0.00 64.05 57.65 3gix n THR 66 Cb 0.36 -0.63 0.22 0.00 -1.82 0.00 0.00 70.33 68.46 3gix n THR 66 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3gix h ALA 67 N 2.84 1.05 -0.69 2.41 0.00 -1.83 -0.09 119.26 122.95 3gix h ALA 67 Ca 0.13 0.20 0.04 0.00 0.00 0.00 0.00 54.91 55.28 3gix h ALA 67 Cb 0.90 0.30 -0.05 0.00 0.00 0.00 0.00 17.79 18.94 3gix h ALA 67 CO 0.70 -0.40 0.41 0.28 0.00 0.00 0.00 179.25 180.24 3gix h VAL 68 N 0.22 1.04 0.05 0.00 2.07 -1.97 0.18 116.25 117.85 3gix h VAL 68 Ca 0.47 -0.27 -0.27 0.00 0.82 0.00 0.00 66.70 67.45 3gix h VAL 68 Cb 0.87 0.18 0.02 0.00 -1.52 0.00 0.00 31.29 30.85 3gix h VAL 68 CO -0.60 0.14 -1.09 1.88 0.02 0.00 0.00 177.57 177.93 3gix h TYR 69 N 0.79 1.00 -0.88 1.57 0.05 -1.66 -1.91 116.97 115.92 3gix h TYR 69 Ca 0.29 -0.58 -0.01 0.00 0.05 0.00 0.00 58.73 58.48 3gix h TYR 69 Cb 0.09 -0.10 -0.04 0.00 1.01 0.00 0.00 36.73 37.69 3gix h TYR 69 CO -0.05 1.42 0.53 1.15 -1.05 0.00 0.00 178.16 180.15 3gix h THR 70 N 0.29 1.25 -0.20 -2.88 2.02 -0.86 -0.04 112.91 112.48 3gix h THR 70 Ca -0.15 -0.55 -0.16 0.00 0.77 0.00 0.00 66.41 66.32 3gix h THR 70 Cb 1.76 0.01 0.00 0.00 -1.74 0.00 0.00 68.15 68.18 3gix h THR 70 CO 0.21 0.26 -0.50 1.56 0.37 0.00 0.00 175.52 177.42 3gix h GLN 71 N 1.22 0.69 -0.20 6.66 4.20 -1.05 -0.92 115.11 125.71 3gix h GLN 71 Ca 0.32 -0.48 0.01 0.00 0.06 0.00 0.00 58.65 58.56 3gix h GLN 71 Cb -0.04 0.07 -0.02 0.00 0.30 0.00 0.00 27.48 27.80 3gix h GLN 71 CO -0.06 1.10 0.10 -0.92 -0.67 0.00 0.00 178.83 178.38 3gix h TYR 72 N 0.39 0.19 0.00 2.96 3.20 -1.03 -2.08 116.97 120.60 3gix h TYR 72 Ca -0.01 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.87 3gix h TYR 72 Cb 1.11 -0.06 0.00 0.00 1.54 0.00 0.00 36.73 39.33 3gix h TYR 72 CO 0.09 0.11 0.00 1.19 -1.64 0.00 0.00 178.16 177.91 3gix n PHE 73 N -5.00 0.00 -3.83 -3.82 0.99 -0.06 -4.92 117.46 100.83 3gix n PHE 73 Ca -0.03 0.00 -0.30 0.00 -0.00 0.00 0.00 57.45 57.12 3gix n PHE 73 Cb 0.05 -0.04 0.01 0.00 -1.00 0.00 0.00 39.48 38.51 3gix n PHE 73 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.76 173.29 3gix n ASP 74 N -1.04 -2.96 -4.62 4.37 2.03 -0.76 -4.85 116.55 108.72 3gix n ASP 74 Ca 0.21 -1.03 -0.43 0.00 0.52 0.00 0.00 54.79 54.06 3gix n ASP 74 Cb 0.12 -3.10 -0.02 0.00 -0.72 0.00 0.00 41.12 37.40 3gix n ASP 74 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 3gix s ILE 75 N -3.69 3.94 -0.00 5.18 -1.09 -0.42 -4.76 121.20 120.35 3gix s ILE 75 Ca 0.26 1.03 0.02 0.00 -2.23 0.00 0.00 60.65 59.74 3gix s ILE 75 Cb -0.10 -4.05 -0.03 0.00 -1.58 0.00 0.00 42.46 36.70 3gix s ILE 75 CO 0.88 -0.51 0.04 -1.20 -1.23 0.00 0.00 174.94 172.92 3gix n SER 76 N 8.27 4.53 -3.94 3.58 7.64 -1.26 -4.97 113.62 127.47 3gix n SER 76 Ca 0.16 0.00 -0.15 0.00 1.01 0.00 0.00 58.87 59.89 3gix n SER 76 Cb 0.47 1.08 -0.14 0.00 -1.01 0.00 0.00 64.21 64.60 3gix n SER 76 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 3gix s TYR 77 N -2.14 0.38 0.10 1.43 2.02 -1.26 -5.16 117.35 112.71 3gix s TYR 77 Ca -0.01 -0.08 0.10 0.00 -0.37 0.00 0.00 57.07 56.71 3gix s TYR 77 Cb 0.01 -0.24 -0.04 0.00 -0.40 0.00 0.00 41.96 41.29 3gix s TYR 77 CO 0.08 -0.01 -0.23 0.96 -1.57 0.00 0.00 175.55 174.79 3gix s ILE 78 N -0.13 2.48 0.51 2.71 -4.36 -1.26 -3.85 121.20 117.30 3gix s ILE 78 Ca 0.01 -1.53 -0.18 0.00 -0.26 0.00 0.00 60.65 58.69 3gix s ILE 78 Cb -0.02 -2.08 -0.08 0.00 1.25 0.00 0.00 42.46 41.54 3gix s ILE 78 CO -0.00 0.18 1.01 -2.16 0.24 0.00 0.00 174.94 174.21 3gix s PRO 79 N -1.84 3.82 -0.08 0.37 0.04 -1.26 -4.75 135.00 131.30 3gix s PRO 79 Ca 0.15 1.17 0.02 0.00 0.04 0.00 0.00 61.00 62.37 3gix s PRO 79 Cb -0.10 -2.11 0.01 0.00 0.04 0.00 0.00 34.50 32.34 3gix s PRO 79 CO 0.06 -0.39 -0.13 -1.12 0.04 0.00 0.00 177.00 175.46 3gix s SER 80 N -2.50 2.03 -0.05 6.66 0.01 -0.71 -1.28 113.70 117.85 3gix s SER 80 Ca 0.63 -0.34 0.06 0.00 1.31 0.00 0.00 55.95 57.61 3gix s SER 80 Cb -0.13 -0.92 -0.02 0.00 0.21 0.00 0.00 66.02 65.17 3gix s SER 80 CO 0.25 0.03 -0.23 -0.89 0.41 0.00 0.00 173.24 172.81 3gix s THR 81 N 0.79 2.27 0.18 1.44 2.01 0.17 -0.28 115.64 122.23 3gix s THR 81 Ca -0.12 -1.00 0.09 0.00 0.31 0.00 0.00 61.69 60.98 3gix s THR 81 Cb -0.16 -1.84 -0.04 0.00 0.01 0.00 0.00 72.50 70.48 3gix s THR 81 CO 0.02 0.57 -0.18 0.68 -0.69 0.00 0.00 174.62 175.02 3gix s VAL 82 N -0.30 1.91 -0.03 3.82 -7.23 -0.46 -0.57 120.40 117.55 3gix s VAL 82 Ca 0.01 -2.00 0.04 0.00 -1.81 0.00 0.00 61.98 58.22 3gix s VAL 82 Cb -0.13 -1.93 -0.01 0.00 0.56 0.00 0.00 36.38 34.88 3gix s VAL 82 CO 0.02 -0.34 -0.14 -0.36 -0.31 0.00 0.00 175.10 173.97 3gix s PHE 83 N -2.17 1.39 0.12 2.82 0.40 -1.26 -0.66 117.98 118.63 3gix s PHE 83 Ca 0.18 -0.33 0.05 0.00 -0.60 0.00 0.00 56.93 56.23 3gix s PHE 83 Cb -0.05 -0.93 -0.04 0.00 0.51 0.00 0.00 43.02 42.51 3gix s PHE 83 CO 0.08 -0.09 -0.13 -0.06 0.70 0.00 0.00 175.22 175.72 3gix s PHE 84 N -0.10 1.31 -0.14 0.36 0.40 -0.30 -0.81 117.98 118.70 3gix s PHE 84 Ca 0.01 -0.60 -0.04 0.00 -0.60 0.00 0.00 56.93 55.69 3gix s PHE 84 Cb -0.08 -0.69 0.07 0.00 0.51 0.00 0.00 43.02 42.83 3gix s PHE 84 CO 0.01 0.11 0.23 0.12 0.70 0.00 0.00 175.22 176.39 3gix s PHE 85 N -2.39 -0.35 -1.43 0.36 2.19 0.26 -0.46 117.98 116.16 3gix s PHE 85 Ca 0.10 0.70 -0.10 0.00 0.33 0.00 0.00 56.93 57.95 3gix s PHE 85 Cb -0.03 -0.17 0.07 0.00 -1.31 0.00 0.00 43.02 41.57 3gix s PHE 85 CO 0.02 -0.41 0.68 0.09 1.83 0.00 0.00 175.22 177.43 3gix n ASN 86 N 5.34 -4.58 0.00 6.13 3.02 -1.26 -1.44 115.26 122.47 3gix n ASN 86 Ca -0.06 -0.51 0.00 0.00 -0.03 0.00 0.00 54.58 53.99 3gix n ASN 86 Cb 0.50 -3.72 0.00 0.00 -0.61 0.00 0.00 39.78 35.95 3gix n ASN 86 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3gix n GLY 87 N -1.42 0.79 3.77 7.41 0.00 -1.25 -5.02 105.19 109.47 3gix n GLY 87 Ca -0.01 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.65 3gix n GLY 87 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3gix s GLN 88 N -0.38 3.38 -0.14 1.61 -0.21 -0.52 -5.04 119.66 118.36 3gix s GLN 88 Ca 0.00 -0.26 -0.29 0.00 0.02 0.00 0.00 55.36 54.82 3gix s GLN 88 Cb 0.00 -3.06 -0.02 0.00 1.00 0.00 0.00 33.01 30.93 3gix s GLN 88 CO 0.00 0.66 1.34 -1.58 -2.12 0.00 0.00 175.29 173.59 3gix s HIS 89 N -0.73 2.68 -0.25 0.91 5.65 -1.26 -0.58 115.29 121.71 3gix s HIS 89 Ca 0.12 0.85 -0.17 0.00 0.25 0.00 0.00 55.06 56.12 3gix s HIS 89 Cb -0.12 -3.58 -0.03 0.00 -1.18 0.00 0.00 32.58 27.66 3gix s HIS 89 CO 0.03 -2.12 0.45 -1.64 -0.65 0.00 0.00 174.74 170.80 3gix s MET 90 N 3.58 4.08 0.31 2.88 -1.94 0.01 -4.93 119.30 123.30 3gix s MET 90 Ca 0.58 0.22 -0.04 0.00 -1.71 0.00 0.00 55.69 54.74 3gix s MET 90 Cb -0.24 -3.62 -0.05 0.00 2.01 0.00 0.00 34.83 32.93 3gix s MET 90 CO 0.18 -0.25 0.57 0.15 -0.01 0.00 0.00 175.02 175.66 3gix s LYS 91 N 1.97 3.61 -0.07 2.03 1.02 -0.27 -4.36 119.74 123.66 3gix s LYS 91 Ca 0.19 -0.03 -0.02 0.00 0.02 0.00 0.00 55.97 56.14 3gix s LYS 91 Cb -0.15 -2.63 0.03 0.00 -0.52 0.00 0.00 37.83 34.56 3gix s LYS 91 CO 0.09 0.17 0.02 0.08 -0.92 0.00 0.00 175.35 174.80 3gix s VAL 92 N -2.16 0.23 -0.41 3.17 1.01 -0.25 -1.45 120.40 120.54 3gix s VAL 92 Ca 0.44 0.17 -0.19 0.00 0.00 0.00 0.00 61.98 62.40 3gix s VAL 92 Cb -0.10 -0.45 0.02 0.00 0.00 0.00 0.00 36.38 35.85 3gix s VAL 92 CO 0.32 0.21 0.57 -0.62 0.00 0.00 0.00 175.10 175.57 3gix s ASP 93 N 2.03 6.30 -0.23 3.32 2.15 0.03 -4.32 116.67 125.95 3gix s ASP 93 Ca 0.05 -0.33 0.11 0.00 0.43 0.00 0.00 52.55 52.81 3gix s ASP 93 Cb -0.12 -2.29 0.45 0.00 -0.30 0.00 0.00 42.92 40.66 3gix s ASP 93 CO -0.05 -0.67 1.33 0.00 -0.17 0.00 0.00 175.17 175.62 3gix n TYR 94 N 6.00 0.52 0.00 -5.34 4.11 -1.26 -0.07 117.16 121.11 3gix n TYR 94 Ca -0.03 -1.46 0.00 0.00 -0.00 0.00 0.00 57.90 56.41 3gix n TYR 94 Cb 0.48 -0.35 0.00 0.00 -0.00 0.00 0.00 39.34 39.47 3gix n TYR 94 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.86 177.27 3gix n GLY 95 N -1.12 2.74 3.88 -7.48 0.00 -1.26 -4.83 105.19 97.11 3gix n GLY 95 Ca 0.25 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.97 3gix n GLY 95 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3gix s SER 96 N -1.26 6.51 0.50 1.61 0.15 -1.26 -5.01 113.70 114.94 3gix s SER 96 Ca 0.00 1.08 0.25 0.00 0.70 0.00 0.00 55.95 57.99 3gix s SER 96 Cb 0.00 -2.30 1.34 0.00 -1.71 0.00 0.00 66.02 63.35 3gix s SER 96 CO 0.00 -0.37 2.04 -0.65 1.20 0.00 0.00 173.24 175.45 3gix h PRO 97 N 1.31 0.00 -5.44 5.44 0.11 -2.00 -3.41 132.00 128.01 3gix h PRO 97 Ca -0.47 0.00 -0.62 0.00 0.11 0.00 0.00 66.00 65.01 3gix h PRO 97 Cb 1.19 0.00 -0.13 0.00 0.11 0.00 0.00 31.00 32.17 3gix h PRO 97 CO 0.64 0.14 0.10 0.34 -0.21 0.00 0.00 178.00 179.01 3gix s ASP 98 N -6.27 6.45 0.00 -2.05 3.68 -1.26 -4.90 116.67 112.31 3gix s ASP 98 Ca -0.03 0.32 0.24 0.00 2.13 0.00 0.00 52.55 55.22 3gix s ASP 98 Cb 0.13 -2.31 0.33 0.00 -1.45 0.00 0.00 42.92 39.62 3gix s ASP 98 CO 0.60 -0.48 1.34 1.41 0.13 0.00 0.00 175.17 178.18 3gix n HIS 99 N 5.85 0.14 0.12 -5.34 8.25 -1.26 -4.56 115.22 118.42 3gix n HIS 99 Ca -0.02 -0.07 0.06 0.00 -0.26 0.00 0.00 57.72 57.43 3gix n HIS 99 Cb 0.49 0.00 0.02 0.00 1.12 0.00 0.00 29.99 31.62 3gix n HIS 99 CO 0.00 0.00 0.00 1.79 0.64 0.00 0.00 176.34 178.77 3gix h THR 100 N 4.43 0.35 -2.43 1.59 1.35 -1.91 -0.65 112.91 115.63 3gix h THR 100 Ca 0.00 -1.58 -0.08 0.00 -0.55 0.00 0.00 66.41 64.20 3gix h THR 100 Cb 0.95 1.97 -0.19 0.00 -1.73 0.00 0.00 68.15 69.15 3gix h THR 100 CO 0.00 0.20 0.00 -1.59 -0.25 0.00 0.00 175.52 173.88 3gix s LYS 101 N -3.11 0.90 -0.34 4.72 -2.85 -1.26 -4.77 119.74 113.03 3gix s LYS 101 Ca 0.01 0.07 -0.11 0.00 -1.00 0.00 0.00 55.97 54.94 3gix s LYS 101 Cb 0.08 0.42 0.01 0.00 -2.06 0.00 0.00 37.83 36.28 3gix s LYS 101 CO 0.76 -0.27 0.19 0.12 0.10 0.00 0.00 175.35 176.25 3gix s PHE 102 N -1.29 3.21 -0.31 1.78 2.19 0.27 -4.91 117.98 118.93 3gix s PHE 102 Ca -0.12 -0.72 -0.11 0.00 0.33 0.00 0.00 56.93 56.31 3gix s PHE 102 Cb -0.02 -2.41 -0.03 0.00 -1.31 0.00 0.00 43.02 39.25 3gix s PHE 102 CO 0.07 -0.54 0.20 0.08 1.83 0.00 0.00 175.22 176.87 3gix s VAL 103 N 1.60 5.17 0.00 3.12 1.01 -1.26 -0.66 120.40 129.38 3gix s VAL 103 Ca 0.04 -0.06 0.00 0.00 0.00 0.00 0.00 61.98 61.95 3gix s VAL 103 Cb -0.18 -3.56 0.00 0.00 0.00 0.00 0.00 36.38 32.64 3gix s VAL 103 CO 0.07 0.13 0.00 0.61 0.00 0.00 0.00 175.10 175.91 3gix n GLY 104 N 5.06 1.78 3.98 4.51 0.00 -0.40 -4.82 105.19 115.29 3gix n GLY 104 Ca -0.14 -2.16 -0.25 0.00 0.00 0.00 0.00 46.02 43.47 3gix n GLY 104 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3gix s SER 105 N 0.00 3.94 -0.01 1.61 0.15 -1.26 -4.83 113.70 113.31 3gix s SER 105 Ca 0.00 -0.21 -0.06 0.00 0.70 0.00 0.00 55.95 56.38 3gix s SER 105 Cb 0.00 -0.05 -0.05 0.00 -1.71 0.00 0.00 66.02 64.22 3gix s SER 105 CO 0.00 -2.15 0.24 -0.36 1.20 0.00 0.00 173.24 172.17 3gix s PHE 106 N -3.37 3.58 0.20 3.44 0.40 -1.26 -0.89 117.98 120.07 3gix s PHE 106 Ca 0.69 0.55 -0.12 0.00 -0.60 0.00 0.00 56.93 57.45 3gix s PHE 106 Cb -0.05 -1.97 0.24 0.00 0.51 0.00 0.00 43.02 41.75 3gix s PHE 106 CO 0.47 0.64 1.70 0.87 0.70 0.00 0.00 175.22 179.60 3gix h LYS 107 N 4.12 0.21 -4.08 0.44 1.57 -1.92 -3.45 116.57 113.46 3gix h LYS 107 Ca -0.51 -0.01 -0.11 0.00 -1.87 0.00 0.00 60.65 58.16 3gix h LYS 107 Cb 1.20 -0.05 -0.15 0.00 0.08 0.00 0.00 32.23 33.32 3gix h LYS 107 CO 0.65 0.14 -0.56 0.95 -0.57 0.00 0.00 179.45 180.06 3gix s THR 108 N -6.13 0.19 0.20 -0.16 -4.23 -1.26 -5.05 115.64 99.20 3gix s THR 108 Ca -0.13 -1.57 -0.11 0.00 -1.18 0.00 0.00 61.69 58.70 3gix s THR 108 Cb 0.17 -1.45 0.12 0.00 1.34 0.00 0.00 72.50 72.68 3gix s THR 108 CO 0.73 -0.87 1.74 0.11 -0.54 0.00 0.00 174.62 175.79 3gix h LYS 109 N 3.00 0.36 -0.56 3.99 6.56 -1.94 -2.78 116.57 125.19 3gix h LYS 109 Ca -0.34 -0.02 0.11 0.00 -1.06 0.00 0.00 60.65 59.34 3gix h LYS 109 Cb 1.16 -0.08 -0.10 0.00 -0.57 0.00 0.00 32.23 32.64 3gix h LYS 109 CO 0.62 0.24 -0.05 0.37 -2.06 0.00 0.00 179.45 178.57 3gix h GLN 110 N 0.37 0.07 -0.41 3.15 4.15 -1.99 -2.01 115.11 118.44 3gix h GLN 110 Ca 0.28 -0.00 -0.02 0.00 0.77 0.00 0.00 58.65 59.68 3gix h GLN 110 Cb 0.33 -0.02 -0.02 0.00 0.21 0.00 0.00 27.48 27.99 3gix h GLN 110 CO -0.29 0.04 0.19 -0.44 -1.93 0.00 0.00 178.83 176.41 3gix h ASP 111 N 0.07 0.54 -0.31 -0.69 3.45 -1.91 0.25 116.42 117.81 3gix h ASP 111 Ca 0.28 -0.13 0.03 0.00 0.43 0.00 0.00 57.03 57.64 3gix h ASP 111 Cb 0.45 -0.14 -0.03 0.00 -0.56 0.00 0.00 39.33 39.05 3gix h ASP 111 CO -0.52 0.52 0.14 0.15 -1.57 0.00 0.00 179.24 177.96 3gix h PHE 112 N 0.52 0.25 -0.47 4.55 3.57 -1.26 -1.41 116.94 122.69 3gix h PHE 112 Ca 0.14 0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.69 3gix h PHE 112 Cb 0.13 -0.07 -0.04 0.00 2.79 0.00 0.00 35.95 38.76 3gix h PHE 112 CO -0.01 0.13 0.24 0.82 -2.23 0.00 0.00 178.31 177.26 3gix h ILE 113 N 0.29 0.97 -0.74 1.41 2.04 -0.83 -0.81 117.51 119.84 3gix h ILE 113 Ca 0.13 -0.16 0.02 0.00 1.00 0.00 0.00 64.86 65.85 3gix h ILE 113 Cb 0.06 0.45 -0.04 0.00 -0.74 0.00 0.00 36.82 36.56 3gix h ILE 113 CO -0.11 0.09 0.48 0.44 0.00 0.00 0.00 178.15 179.05 3gix h ASP 114 N 0.47 0.81 0.09 1.72 3.32 -0.34 -0.31 116.42 122.19 3gix h ASP 114 Ca 0.20 -0.01 -0.00 0.00 0.02 0.00 0.00 57.03 57.24 3gix h ASP 114 Cb 0.11 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 39.47 3gix h ASP 114 CO -0.14 0.57 -0.05 0.25 -1.72 0.00 0.00 179.24 178.15 3gix h LEU 115 N 0.95 -0.11 -0.51 1.55 5.85 -0.99 -2.01 115.31 120.05 3gix h LEU 115 Ca 0.28 -0.08 0.07 0.00 0.84 0.00 0.00 57.88 58.99 3gix h LEU 115 Cb -0.05 0.03 -0.06 0.00 0.37 0.00 0.00 40.66 40.95 3gix h LEU 115 CO -0.08 0.02 0.19 0.40 -0.34 0.00 0.00 178.44 178.62 3gix h ILE 116 N -0.23 0.83 -0.60 4.05 1.08 -0.74 0.14 117.51 122.05 3gix h ILE 116 Ca -0.01 -0.13 -0.03 0.00 -0.39 0.00 0.00 64.86 64.29 3gix h ILE 116 Cb 0.19 0.43 -0.03 0.00 -3.07 0.00 0.00 36.82 34.33 3gix h ILE 116 CO 0.02 0.07 0.23 1.05 -0.69 0.00 0.00 178.15 178.83 3gix h GLU 117 N 0.37 0.88 -0.29 2.37 4.11 -0.96 0.20 114.58 121.25 3gix h GLU 117 Ca 0.25 -0.14 0.00 0.00 0.07 0.00 0.00 59.36 59.54 3gix h GLU 117 Cb 0.26 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.34 3gix h GLU 117 CO -0.24 0.72 0.19 0.28 0.07 0.00 0.00 179.01 180.03 3gix h VAL 118 N 0.86 1.09 0.08 -1.06 2.07 -0.51 -0.85 116.25 117.93 3gix h VAL 118 Ca 0.20 -0.19 -0.00 0.00 0.82 0.00 0.00 66.70 67.53 3gix h VAL 118 Cb 0.18 0.69 0.00 0.00 -1.52 0.00 0.00 31.29 30.64 3gix h VAL 118 CO -0.02 0.09 -0.04 0.40 0.02 0.00 0.00 177.57 178.02 3gix h ILE 119 N 0.39 0.91 -0.31 4.57 2.04 -0.55 -0.72 117.51 123.84 3gix h ILE 119 Ca 0.11 0.00 0.03 0.00 1.00 0.00 0.00 64.86 66.00 3gix h ILE 119 Cb -0.02 0.91 -0.03 0.00 -0.74 0.00 0.00 36.82 36.94 3gix h ILE 119 CO -0.02 0.00 0.11 0.22 0.00 0.00 0.00 178.15 178.46 3gix h TYR 120 N -0.12 0.20 -0.49 1.37 3.20 -0.86 0.17 116.97 120.44 3gix h TYR 120 Ca -0.01 0.02 -0.13 0.00 3.14 0.00 0.00 58.73 61.75 3gix h TYR 120 Cb 0.09 -0.05 -0.01 0.00 1.54 0.00 0.00 36.73 38.30 3gix h TYR 120 CO -0.08 0.09 -0.20 0.00 -1.64 0.00 0.00 178.16 176.34 3gix h ARG 121 N 0.25 1.00 -0.12 1.82 3.08 -1.17 -0.55 114.38 118.70 3gix h ARG 121 Ca 0.14 -0.42 -0.00 0.00 0.07 0.00 0.00 59.98 59.77 3gix h ARG 121 Cb 0.10 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.11 3gix h ARG 121 CO -0.14 1.10 0.06 0.78 -1.07 0.00 0.00 179.97 180.70 3gix h GLY 122 N 0.85 0.18 0.97 0.04 0.00 -0.98 -2.83 103.07 101.30 3gix h GLY 122 Ca 0.11 -0.08 -0.01 0.00 0.00 0.00 0.00 47.33 47.35 3gix h GLY 122 CO 0.06 0.08 0.23 0.00 0.00 0.00 0.00 176.54 176.91 3gix h ALA 123 N 0.95 0.54 -0.85 3.60 0.00 -0.34 -0.11 119.26 123.06 3gix h ALA 123 Ca 0.04 -0.09 0.19 0.00 0.00 0.00 0.00 54.91 55.05 3gix h ALA 123 Cb 0.09 -0.17 -0.06 0.00 0.00 0.00 0.00 17.79 17.65 3gix h ALA 123 CO -0.01 0.07 0.57 0.52 0.00 0.00 0.00 179.25 180.40 3gix h MET 124 N 0.55 0.37 -0.16 0.00 2.07 -1.16 -0.50 114.93 116.10 3gix h MET 124 Ca 0.15 -0.02 0.00 0.00 -2.07 0.00 0.00 59.70 57.76 3gix h MET 124 Cb 0.06 -0.08 0.00 0.00 -1.87 0.00 0.00 31.60 29.71 3gix h MET 124 CO -0.02 0.25 0.00 0.54 1.07 0.00 0.00 176.91 178.74 3gix n ARG 125 N -4.49 1.57 -0.87 1.72 1.74 -0.77 -4.94 116.66 110.62 3gix n ARG 125 Ca 0.17 -0.86 0.00 0.00 -0.77 0.00 0.00 57.85 56.39 3gix n ARG 125 Cb 0.65 -1.33 0.00 0.00 -1.02 0.00 0.00 32.46 30.76 3gix n ARG 125 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3gix n GLY 126 N 1.02 0.54 3.79 -0.13 0.00 -0.20 -5.05 105.19 105.16 3gix n GLY 126 Ca 0.14 -0.18 -0.34 0.00 0.00 0.00 0.00 46.02 45.64 3gix n GLY 126 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3gix s LYS 127 N -0.43 3.30 -0.00 1.61 1.02 -0.12 -4.98 119.74 120.13 3gix s LYS 127 Ca 0.00 1.38 0.04 0.00 0.02 0.00 0.00 55.97 57.41 3gix s LYS 127 Cb 0.00 -2.02 -0.06 0.00 -0.52 0.00 0.00 37.83 35.24 3gix s LYS 127 CO 0.00 -0.85 0.12 1.28 -0.92 0.00 0.00 175.35 174.98 3gix n LEU 128 N -1.72 0.08 -3.81 3.17 4.77 -1.26 -4.20 117.00 114.02 3gix n LEU 128 Ca 0.10 -0.20 -0.14 0.00 -0.03 0.00 0.00 56.01 55.74 3gix n LEU 128 Cb 0.52 0.00 -0.15 0.00 -2.33 0.00 0.00 43.42 41.46 3gix n LEU 128 CO 0.45 0.02 -0.35 -0.51 -1.33 0.00 0.00 177.39 175.66 3gix s ILE 129 N -1.91 -0.03 0.14 -0.08 2.07 -1.26 -1.12 121.20 119.00 3gix s ILE 129 Ca -0.00 0.13 0.08 0.00 -1.41 0.00 0.00 60.65 59.44 3gix s ILE 129 Cb 0.03 -0.05 -0.04 0.00 0.13 0.00 0.00 42.46 42.53 3gix s ILE 129 CO 0.17 0.05 -0.18 0.68 -1.91 0.00 0.00 174.94 173.75 3gix s VAL 130 N 0.63 1.65 -0.01 4.00 -7.23 -0.53 -4.97 120.40 113.94 3gix s VAL 130 Ca -0.05 -1.75 -0.23 0.00 -1.81 0.00 0.00 61.98 58.14 3gix s VAL 130 Cb -0.08 -1.67 -0.05 0.00 0.56 0.00 0.00 36.38 35.15 3gix s VAL 130 CO -0.02 -0.27 0.68 -1.10 -0.31 0.00 0.00 175.10 174.08 3gix s GLN 131 N -2.49 4.41 0.19 4.82 -1.52 -1.26 -0.79 119.66 123.02 3gix s GLN 131 Ca 0.11 0.88 -0.29 0.00 -1.95 0.00 0.00 55.36 54.11 3gix s GLN 131 Cb -0.07 -3.38 -0.08 0.00 -0.22 0.00 0.00 33.01 29.26 3gix s GLN 131 CO 0.05 0.24 0.92 0.45 -0.25 0.00 0.00 175.29 176.70 3gix s SER 132 N 0.19 7.57 0.00 5.90 0.15 0.90 -4.87 113.70 123.53 3gix s SER 132 Ca 0.35 1.86 0.31 0.00 0.70 0.00 0.00 55.95 59.17 3gix s SER 132 Cb -0.19 -2.59 1.71 0.00 -1.71 0.00 0.00 66.02 63.24 3gix s SER 132 CO 0.19 0.10 2.13 -0.81 1.20 0.00 0.00 173.24 176.05 3gix n PRO 133 N 1.91 0.80 -4.17 5.44 -0.04 -1.26 -4.84 135.00 132.83 3gix n PRO 133 Ca -0.01 -0.04 -0.11 0.00 -0.04 0.00 0.00 63.50 63.30 3gix n PRO 133 Cb 0.48 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.34 3gix n PRO 133 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 3gix s ILE 134 N -2.23 0.70 -0.01 0.52 1.09 -1.26 -5.08 121.20 114.93 3gix s ILE 134 Ca 0.40 -1.94 0.03 0.00 -1.10 0.00 0.00 60.65 58.04 3gix s ILE 134 Cb 0.21 -1.69 -0.03 0.00 -1.06 0.00 0.00 42.46 39.89 3gix s ILE 134 CO 0.41 -0.87 -0.06 -1.81 -0.10 0.00 0.00 174.94 172.51 3gix s ASP 135 N -3.05 4.69 0.71 3.58 1.01 -1.26 -4.90 116.67 117.45 3gix s ASP 135 Ca 0.12 -0.11 -0.13 0.00 0.71 0.00 0.00 52.55 53.14 3gix s ASP 135 Cb 0.05 -1.12 0.03 0.00 1.01 0.00 0.00 42.92 42.89 3gix s ASP 135 CO -0.05 0.30 1.11 -2.16 0.21 0.00 0.00 175.17 174.58 3gix s PRO 136 N -1.33 2.50 0.27 8.23 0.04 -1.26 -4.62 135.00 138.83 3gix s PRO 136 Ca 0.17 1.35 -0.29 0.00 0.04 0.00 0.00 61.00 62.27 3gix s PRO 136 Cb -0.11 -1.92 -0.10 0.00 0.04 0.00 0.00 34.50 32.42 3gix s PRO 136 CO 0.07 -1.48 1.28 0.15 0.04 0.00 0.00 177.00 177.06 3gix s LYS 137 N -4.36 4.41 0.58 4.56 -0.14 -0.07 -4.92 119.74 119.79 3gix s LYS 137 Ca 0.66 2.09 -0.20 0.00 -1.36 0.00 0.00 55.97 57.15 3gix s LYS 137 Cb -0.20 -3.14 -0.04 0.00 -1.68 0.00 0.00 37.83 32.77 3gix s LYS 137 CO 0.47 -0.16 1.32 1.21 -0.76 0.00 0.00 175.35 177.44 3gix s ASN 138 N -0.21 5.09 -0.22 2.83 2.47 -1.26 -4.26 114.94 119.38 3gix s ASN 138 Ca 0.51 2.69 0.01 0.00 0.42 0.00 0.00 52.86 56.50 3gix s ASN 138 Cb -0.37 -2.63 0.05 0.00 -1.45 0.00 0.00 41.25 36.85 3gix s ASN 138 CO 0.45 -1.69 -0.11 -0.63 -3.72 0.00 0.00 177.10 171.40 3gix s ILE 139 N -1.35 1.83 0.28 -5.21 1.01 -1.26 -4.90 121.20 111.59 3gix s ILE 139 Ca 0.75 -1.20 -0.29 0.00 0.00 0.00 0.00 60.65 59.90 3gix s ILE 139 Cb -0.39 -1.90 -0.10 0.00 0.01 0.00 0.00 42.46 40.09 3gix s ILE 139 CO 0.44 0.13 1.26 -2.84 0.00 0.00 0.00 174.94 173.93 3gix s PRO 140 N 1.30 4.43 0.18 2.79 0.02 -1.26 -5.02 135.00 137.43 3gix s PRO 140 Ca -0.03 2.08 0.06 0.00 0.02 0.00 0.00 61.00 63.13 3gix s PRO 140 Cb -0.17 -3.14 -0.05 0.00 0.02 0.00 0.00 34.50 31.17 3gix s PRO 140 CO -0.08 -0.13 -0.12 0.15 -0.33 0.00 0.00 177.00 176.49 3gix s LYS 141 N -1.16 1.20 0.00 5.54 1.02 -1.26 -5.20 119.74 119.89 3gix s LYS 141 Ca 0.51 -1.52 0.10 0.00 0.02 0.00 0.00 55.97 55.08 3gix s LYS 141 Cb -0.37 -0.89 0.58 0.00 -0.52 0.00 0.00 37.83 36.63 3gix s LYS 141 CO 0.45 0.14 1.03 2.48 -0.92 0.00 0.00 175.35 178.53