#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ixl s PRO 3 N 0.00 2.71 0.03 0.38 0.02 -1.26 -4.46 135.00 132.41 1ixl s PRO 3 Ca 0.00 1.87 0.04 0.00 0.02 0.00 0.00 61.00 62.93 1ixl s PRO 3 Cb 0.00 -1.89 -0.02 0.00 0.02 0.00 0.00 34.50 32.61 1ixl s PRO 3 CO 0.00 -1.43 -0.12 0.08 -0.33 0.00 0.00 177.00 175.21 1ixl s VAL 4 N -1.63 0.92 0.63 3.83 1.01 -0.88 -4.99 120.40 119.29 1ixl s VAL 4 Ca 0.78 -0.84 -0.14 0.00 0.00 0.00 0.00 61.98 61.78 1ixl s VAL 4 Cb -0.32 -0.84 -0.02 0.00 0.00 0.00 0.00 36.38 35.21 1ixl s VAL 4 CO 0.37 0.01 1.06 -1.83 0.00 0.00 0.00 175.10 174.71 1ixl s GLU 5 N -0.94 3.16 -0.09 2.72 -1.05 -1.26 -4.72 118.70 116.52 1ixl s GLU 5 Ca 0.00 1.11 -0.30 0.00 -0.15 0.00 0.00 54.97 55.64 1ixl s GLU 5 Cb -0.07 -2.01 -0.04 0.00 -0.44 0.00 0.00 34.13 31.57 1ixl s GLU 5 CO 0.01 -0.93 1.38 -1.14 0.95 0.00 0.00 175.26 175.53 1ixl s GLN 6 N -4.43 4.24 0.00 -4.83 0.74 -1.26 -4.90 119.66 109.22 1ixl s GLN 6 Ca 0.62 1.86 0.15 0.00 0.05 0.00 0.00 55.36 58.04 1ixl s GLN 6 Cb -0.15 -3.75 0.23 0.00 1.10 0.00 0.00 33.01 30.43 1ixl s GLN 6 CO 0.44 -0.68 1.11 0.54 -0.55 0.00 0.00 175.29 176.15 1ixl n ARG 7 N 6.30 1.73 -3.67 1.67 1.74 -1.26 -4.95 116.66 118.22 1ixl n ARG 7 Ca 0.14 -1.71 -0.10 0.00 -0.77 0.00 0.00 57.85 55.41 1ixl n ARG 7 Cb 0.44 -1.32 -0.04 0.00 -1.02 0.00 0.00 32.46 30.52 1ixl n ARG 7 CO 0.00 0.00 0.00 -0.08 -1.52 0.00 0.00 177.63 176.03 1ixl s THR 8 N -1.17 0.05 -1.51 0.55 -1.32 -1.26 -3.66 115.64 107.32 1ixl s THR 8 Ca 0.23 -0.65 -0.13 0.00 -1.21 0.00 0.00 61.69 59.93 1ixl s THR 8 Cb 0.14 -1.31 0.08 0.00 -1.51 0.00 0.00 72.50 69.91 1ixl s THR 8 CO 0.20 -0.25 0.88 1.41 -2.21 0.00 0.00 174.62 174.65 1ixl n HIS 9 N -0.26 -2.19 0.24 9.09 8.25 -1.26 -4.88 115.22 124.21 1ixl n HIS 9 Ca -0.14 0.81 0.08 0.00 -0.26 0.00 0.00 57.72 58.22 1ixl n HIS 9 Cb 0.63 -3.81 0.58 0.00 1.12 0.00 0.00 29.99 28.51 1ixl n HIS 9 CO 0.00 0.00 0.00 0.87 0.64 0.00 0.00 176.34 177.85 1ixl h LYS 10 N -1.85 0.00 -0.65 -0.41 1.57 -1.92 -3.03 116.57 110.28 1ixl h LYS 10 Ca -0.55 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.23 1ixl h LYS 10 Cb 1.36 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.67 1ixl h LYS 10 CO 0.65 0.19 0.00 1.28 -0.57 0.00 0.00 179.45 181.00 1ixl n LEU 11 N -3.93 3.52 -4.68 2.94 4.77 -1.26 -4.97 117.00 113.40 1ixl n LEU 11 Ca -0.02 -1.75 -0.45 0.00 -0.03 0.00 0.00 56.01 53.76 1ixl n LEU 11 Cb 0.28 -0.43 -0.03 0.00 -2.33 0.00 0.00 43.42 40.90 1ixl n LEU 11 CO 0.34 0.87 1.12 0.41 -1.33 0.00 0.00 177.39 178.80 1ixl n THR 12 N 1.43 0.55 -1.67 -5.08 -1.04 -1.15 -4.85 114.28 102.47 1ixl n THR 12 Ca 0.22 -0.14 -0.45 0.00 -2.04 0.00 0.00 64.05 61.64 1ixl n THR 12 Cb 0.56 -1.56 -0.04 0.00 -1.82 0.00 0.00 70.33 67.47 1ixl n THR 12 CO 0.00 0.00 0.00 -0.24 -0.64 0.00 0.00 175.07 174.19 1ixl n SER 13 N 2.71 3.78 0.24 8.00 2.88 -1.26 -4.87 113.62 125.10 1ixl n SER 13 Ca 0.14 0.95 0.12 0.00 -1.33 0.00 0.00 58.87 58.74 1ixl n SER 13 Cb 0.31 -1.45 0.49 0.00 -0.75 0.00 0.00 64.21 62.81 1ixl n SER 13 CO 0.00 0.00 0.00 0.03 -1.23 0.00 0.00 175.04 173.84 1ixl h ARG 14 N 9.70 0.00 0.06 -1.46 2.47 -1.89 -1.49 114.38 121.77 1ixl h ARG 14 Ca -0.49 0.00 -0.31 0.00 -1.26 0.00 0.00 59.98 57.92 1ixl h ARG 14 Cb 1.26 0.00 -0.03 0.00 -1.65 0.00 0.00 29.97 29.54 1ixl h ARG 14 CO 0.94 0.14 -1.76 0.82 0.56 0.00 0.00 179.97 180.67 1ixl h ILE 15 N 0.00 0.84 0.00 2.04 1.08 -1.89 -3.29 117.51 116.28 1ixl h ILE 15 Ca -0.00 -2.62 -0.16 0.00 -0.39 0.00 0.00 64.86 61.69 1ixl h ILE 15 Cb 0.72 2.50 -0.03 0.00 -3.07 0.00 0.00 36.82 36.95 1ixl h ILE 15 CO 0.02 0.67 -2.14 0.18 -0.69 0.00 0.00 178.15 176.20 1ixl n LEU 16 N -3.25 0.03 -0.01 1.44 4.77 -1.22 -4.77 117.00 114.00 1ixl n LEU 16 Ca -0.21 0.01 -0.01 0.00 -0.03 0.00 0.00 56.01 55.77 1ixl n LEU 16 Cb 1.05 0.21 -0.00 0.00 -2.33 0.00 0.00 43.42 42.34 1ixl n LEU 16 CO 0.45 0.21 -0.54 0.52 -1.33 0.00 0.00 177.39 176.70 1ixl n VAL 17 N -2.49 0.06 0.00 4.08 0.31 -0.63 -4.86 118.33 114.81 1ixl n VAL 17 Ca -0.16 -0.02 0.00 0.00 -0.01 0.00 0.00 64.34 64.15 1ixl n VAL 17 Cb 0.82 -1.25 0.00 0.00 -0.91 0.00 0.00 33.84 32.50 1ixl n VAL 17 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1ixl n GLY 18 N 3.07 2.93 3.18 2.92 0.00 -0.80 -4.20 105.19 112.29 1ixl n GLY 18 Ca -0.02 -1.25 -0.34 0.00 0.00 0.00 0.00 46.02 44.41 1ixl n GLY 18 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ixl s LYS 19 N -2.14 2.96 0.25 1.61 1.02 -0.09 -4.09 119.74 119.26 1ixl s LYS 19 Ca 0.00 -0.87 -0.30 0.00 0.02 0.00 0.00 55.97 54.82 1ixl s LYS 19 Cb 0.00 -2.82 -0.10 0.00 -0.52 0.00 0.00 37.83 34.39 1ixl s LYS 19 CO 0.00 -0.30 1.35 -2.14 -0.92 0.00 0.00 175.35 173.34 1ixl s PRO 20 N 1.33 4.35 0.00 -1.68 0.02 -1.26 -1.22 135.00 136.53 1ixl s PRO 20 Ca 0.03 2.17 0.02 0.00 0.02 0.00 0.00 61.00 63.23 1ixl s PRO 20 Cb -0.15 -3.14 -0.02 0.00 0.02 0.00 0.00 34.50 31.21 1ixl s PRO 20 CO -0.08 -0.28 0.19 0.44 -0.33 0.00 0.00 177.00 176.94 1ixl n ILE 21 N 2.11 0.00 -3.64 2.83 -5.35 0.31 -4.91 119.36 110.72 1ixl n ILE 21 Ca 0.05 -0.46 -0.05 0.00 -0.27 0.00 0.00 62.75 62.02 1ixl n ILE 21 Cb 0.42 1.01 -0.06 0.00 -1.74 0.00 0.00 39.64 39.26 1ixl n ILE 21 CO 0.00 0.00 0.00 -0.22 -1.76 0.00 0.00 176.55 174.57 1ixl s LEU 22 N -1.75 -0.92 -0.04 7.28 0.20 -0.98 -4.96 118.68 117.51 1ixl s LEU 22 Ca 0.01 1.42 -0.02 0.00 0.69 0.00 0.00 54.13 56.24 1ixl s LEU 22 Cb 0.02 2.28 0.03 0.00 -0.43 0.00 0.00 46.19 48.09 1ixl s LEU 22 CO 0.08 -0.22 0.05 -0.63 -0.29 0.00 0.00 176.35 175.35 1ixl s ILE 23 N 1.84 -0.08 0.33 6.68 1.01 -1.26 -0.52 121.20 129.19 1ixl s ILE 23 Ca -0.09 0.38 0.03 0.00 0.00 0.00 0.00 60.65 60.97 1ixl s ILE 23 Cb -0.06 -0.15 -0.02 0.00 0.01 0.00 0.00 42.46 42.24 1ixl s ILE 23 CO -0.19 0.17 0.34 -1.59 0.00 0.00 0.00 174.94 173.67 1ixl s LYS 24 N 1.95 1.78 -0.13 2.79 -2.85 -0.39 -2.07 119.74 120.82 1ixl s LYS 24 Ca 0.02 -1.90 -0.34 0.00 -1.00 0.00 0.00 55.97 52.75 1ixl s LYS 24 Cb -0.12 0.37 -0.12 0.00 -2.06 0.00 0.00 37.83 35.90 1ixl s LYS 24 CO -0.03 -0.69 1.91 -1.91 0.10 0.00 0.00 175.35 174.73 1ixl n GLU 25 N -0.58 2.01 -1.10 1.78 4.07 -1.26 -2.06 120.64 123.50 1ixl n GLU 25 Ca 0.05 0.72 -0.04 0.00 -0.06 0.00 0.00 57.16 57.84 1ixl n GLU 25 Cb 0.62 -2.61 -0.02 0.00 -0.06 0.00 0.00 31.44 29.37 1ixl n GLU 25 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1ixl n GLY 26 N 4.60 0.50 3.43 8.31 0.00 -1.24 -4.97 105.19 115.83 1ixl n GLY 26 Ca 0.25 -0.10 -0.14 0.00 0.00 0.00 0.00 46.02 46.02 1ixl n GLY 26 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1ixl s TYR 27 N -1.65 -0.55 0.03 1.61 5.04 -0.87 -1.65 117.35 119.30 1ixl s TYR 27 Ca 0.00 1.26 -0.16 0.00 -2.44 0.00 0.00 57.07 55.73 1ixl s TYR 27 Cb 0.00 0.22 0.03 0.00 0.35 0.00 0.00 41.96 42.56 1ixl s TYR 27 CO 0.00 -0.35 0.35 0.00 -1.34 0.00 0.00 175.55 174.21 1ixl s ALA 28 N -0.16 -0.85 -0.03 3.97 0.00 -0.56 -1.26 121.76 122.87 1ixl s ALA 28 Ca -0.04 0.21 0.02 0.00 0.00 0.00 0.00 51.96 52.15 1ixl s ALA 28 Cb -0.03 0.27 0.01 0.00 0.00 0.00 0.00 23.12 23.37 1ixl s ALA 28 CO 0.03 -0.40 -0.07 -1.21 0.00 0.00 0.00 175.76 174.11 1ixl s GLU 29 N -2.25 0.88 -0.01 0.00 2.02 0.32 -1.07 118.70 118.58 1ixl s GLU 29 Ca -0.07 -0.21 0.02 0.00 0.02 0.00 0.00 54.97 54.72 1ixl s GLU 29 Cb -0.02 -0.83 0.00 0.00 0.10 0.00 0.00 34.13 33.38 1ixl s GLU 29 CO -0.01 0.03 -0.05 0.08 0.02 0.00 0.00 175.26 175.33 1ixl s VAL 30 N 0.47 0.44 0.14 2.63 1.01 -0.64 -0.53 120.40 123.92 1ixl s VAL 30 Ca -0.07 -0.20 0.08 0.00 0.00 0.00 0.00 61.98 61.80 1ixl s VAL 30 Cb -0.11 -0.40 -0.04 0.00 0.00 0.00 0.00 36.38 35.83 1ixl s VAL 30 CO 0.00 0.15 -0.11 -1.83 0.00 0.00 0.00 175.10 173.31 1ixl s GLU 31 N 0.14 2.02 -0.07 2.72 -1.05 -0.36 -0.35 118.70 121.75 1ixl s GLU 31 Ca -0.01 -1.17 -0.03 0.00 -0.15 0.00 0.00 54.97 53.60 1ixl s GLU 31 Cb -0.05 -2.20 0.04 0.00 -0.44 0.00 0.00 34.13 31.48 1ixl s GLU 31 CO -0.00 0.47 0.15 -1.17 0.95 0.00 0.00 175.26 175.65 1ixl s LEU 32 N -2.49 0.59 -0.29 1.83 2.96 0.13 -0.91 118.68 120.50 1ixl s LEU 32 Ca 0.22 0.31 -0.17 0.00 -0.22 0.00 0.00 54.13 54.27 1ixl s LEU 32 Cb -0.10 0.36 -0.02 0.00 0.50 0.00 0.00 46.19 46.93 1ixl s LEU 32 CO 0.14 -0.16 0.48 -1.61 -1.32 0.00 0.00 176.35 173.87 1ixl s GLU 33 N 1.34 3.93 0.34 1.98 0.41 -1.26 0.42 118.70 125.87 1ixl s GLU 33 Ca -0.07 0.12 -0.27 0.00 -0.41 0.00 0.00 54.97 54.34 1ixl s GLU 33 Cb -0.12 -3.70 -0.09 0.00 -1.78 0.00 0.00 34.13 28.45 1ixl s GLU 33 CO -0.06 -0.41 1.09 0.95 -0.49 0.00 0.00 175.26 176.34 1ixl s THR 34 N 2.27 3.50 0.37 3.63 -4.23 -0.48 -4.99 115.64 115.72 1ixl s THR 34 Ca 0.19 1.34 0.08 0.00 -1.18 0.00 0.00 61.69 62.12 1ixl s THR 34 Cb -0.16 -3.78 -0.07 0.00 1.34 0.00 0.00 72.50 69.83 1ixl s THR 34 CO 0.10 0.19 -0.06 0.27 -0.54 0.00 0.00 174.62 174.59 1ixl s ILE 35 N -1.38 2.12 0.47 2.99 -4.36 -1.26 -3.07 121.20 116.71 1ixl s ILE 35 Ca 0.51 -2.13 0.17 0.00 -0.26 0.00 0.00 60.65 58.94 1ixl s ILE 35 Cb -0.28 -2.77 0.34 0.00 1.25 0.00 0.00 42.46 41.00 1ixl s ILE 35 CO 0.36 -0.13 2.01 -0.78 0.24 0.00 0.00 174.94 176.63 1ixl h ASP 36 N 1.94 0.24 0.00 4.36 1.82 -1.96 -3.35 116.42 119.47 1ixl h ASP 36 Ca -0.43 0.00 -0.06 0.00 -0.39 0.00 0.00 57.03 56.16 1ixl h ASP 36 Cb 1.25 -0.04 -0.02 0.00 0.68 0.00 0.00 39.33 41.19 1ixl h ASP 36 CO 0.74 0.14 0.10 -0.62 -1.61 0.00 0.00 179.24 178.00 1ixl n GLU 37 N -4.46 0.70 -1.38 0.28 4.71 -1.26 -4.90 120.64 114.33 1ixl n GLU 37 Ca 0.08 -0.29 0.08 0.00 -0.01 0.00 0.00 57.16 57.02 1ixl n GLU 37 Cb 0.39 -1.59 -0.04 0.00 -1.01 0.00 0.00 31.44 29.18 1ixl n GLU 37 CO 0.00 0.00 0.00 0.36 0.09 0.00 0.00 177.13 177.58 1ixl n LYS 39 N 2.53 -3.04 0.00 3.49 2.85 -1.26 -5.05 118.16 117.69 1ixl n LYS 39 Ca 0.13 2.42 0.02 0.00 -1.05 0.00 0.00 58.31 59.83 1ixl n LYS 39 Cb 0.32 -3.35 -0.02 0.00 -0.65 0.00 0.00 35.03 31.34 1ixl n LYS 39 CO 0.00 0.00 0.00 1.33 -0.05 0.00 0.00 177.40 178.68 1ixl n VAL 40 N -3.41 0.00 -3.91 0.58 0.24 0.69 -4.75 118.33 107.76 1ixl n VAL 40 Ca -0.04 -0.43 -0.11 0.00 -2.04 0.00 0.00 64.34 61.72 1ixl n VAL 40 Cb 0.49 1.00 0.00 0.00 -1.47 0.00 0.00 33.84 33.87 1ixl n VAL 40 CO 0.00 0.00 0.00 1.51 -2.14 0.00 0.00 176.83 176.20 1ixl s ASP 41 N -1.25 0.40 0.28 -1.34 3.84 -1.26 -5.01 116.67 112.32 1ixl s ASP 41 Ca 0.01 -1.31 0.25 0.00 -0.00 0.00 0.00 52.55 51.50 1ixl s ASP 41 Cb 0.02 0.79 0.96 0.00 -1.38 0.00 0.00 42.92 43.32 1ixl s ASP 41 CO 0.13 -1.56 1.75 1.05 -0.00 0.00 0.00 175.17 176.53 1ixl h GLU 42 N 2.03 0.00 -0.00 2.11 4.11 -1.98 -2.78 114.58 118.07 1ixl h GLU 42 Ca -0.31 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.12 1ixl h GLU 42 Cb 1.25 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.50 1ixl h GLU 42 CO 0.40 0.00 -0.03 1.63 0.07 0.00 0.00 179.01 181.08 1ixl n LYS 43 N -2.35 0.44 -0.64 1.06 4.01 -1.26 -4.91 118.16 114.51 1ixl n LYS 43 Ca 0.03 -0.04 0.00 0.00 -0.51 0.00 0.00 58.31 57.79 1ixl n LYS 43 Cb 0.29 -1.50 0.00 0.00 -0.51 0.00 0.00 35.03 33.31 1ixl n LYS 43 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1ixl n GLY 44 N 1.30 0.63 3.69 0.72 0.00 -1.05 -4.91 105.19 105.57 1ixl n GLY 44 Ca 0.14 -0.50 -0.42 0.00 0.00 0.00 0.00 46.02 45.24 1ixl n GLY 44 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1ixl s LEU 45 N 0.00 4.33 0.06 0.99 2.96 -1.26 -0.89 118.68 124.88 1ixl s LEU 45 Ca 0.00 2.25 -0.28 0.00 -0.22 0.00 0.00 54.13 55.88 1ixl s LEU 45 Cb 0.00 -3.56 -0.05 0.00 0.50 0.00 0.00 46.19 43.08 1ixl s LEU 45 CO 0.00 -0.78 0.88 -0.69 -1.32 0.00 0.00 176.35 174.43 1ixl s VAL 46 N 2.51 4.66 0.25 1.68 1.01 0.45 -0.22 120.40 130.74 1ixl s VAL 46 Ca 0.68 1.88 -0.30 0.00 0.00 0.00 0.00 61.98 64.23 1ixl s VAL 46 Cb -0.35 -4.23 -0.10 0.00 0.00 0.00 0.00 36.38 31.70 1ixl s VAL 46 CO 0.29 0.31 1.50 -2.28 0.00 0.00 0.00 175.10 174.91 1ixl s HIS 47 N 0.16 2.95 0.26 5.22 2.46 -1.26 -4.66 115.29 120.42 1ixl s HIS 47 Ca 0.44 0.91 0.35 0.00 0.47 0.00 0.00 55.06 57.22 1ixl s HIS 47 Cb -0.22 -3.90 1.84 0.00 -0.13 0.00 0.00 32.58 30.17 1ixl s HIS 47 CO 0.26 -3.02 2.06 0.78 -2.47 0.00 0.00 174.74 172.35 1ixl h GLY 48 N 5.21 0.00 1.74 1.59 0.00 -1.97 -1.94 103.07 107.70 1ixl h GLY 48 Ca -0.46 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 46.83 1ixl h GLY 48 CO 0.80 0.00 -0.03 -1.33 0.00 0.00 0.00 176.54 175.98 1ixl h GLY 49 N 0.20 0.36 1.14 4.60 0.00 -1.99 0.13 103.07 107.51 1ixl h GLY 49 Ca 0.00 -0.20 -0.22 0.00 0.00 0.00 0.00 47.33 46.92 1ixl h GLY 49 CO 0.00 0.18 -0.75 0.74 0.00 0.00 0.00 176.54 176.71 1ixl h PHE 50 N 0.33 1.04 -0.70 5.60 0.04 -1.72 -0.52 116.94 121.00 1ixl h PHE 50 Ca 0.07 -0.46 -0.03 0.00 2.80 0.00 0.00 57.97 60.35 1ixl h PHE 50 Cb 0.27 -0.16 -0.03 0.00 2.20 0.00 0.00 35.95 38.22 1ixl h PHE 50 CO 0.01 1.29 0.33 1.15 -0.60 0.00 0.00 178.31 180.49 1ixl h THR 51 N 0.49 1.23 -0.52 -1.55 2.02 -1.58 -0.30 112.91 112.71 1ixl h THR 51 Ca -0.05 -0.67 -0.06 0.00 0.77 0.00 0.00 66.41 66.39 1ixl h THR 51 Cb 1.39 0.38 -0.02 0.00 -1.74 0.00 0.00 68.15 68.15 1ixl h THR 51 CO 0.16 0.28 0.08 0.15 0.37 0.00 0.00 175.52 176.55 1ixl h PHE 52 N 0.98 0.92 -0.58 3.16 3.57 -0.94 -1.59 116.94 122.47 1ixl h PHE 52 Ca 0.24 -0.13 0.01 0.00 3.53 0.00 0.00 57.97 61.62 1ixl h PHE 52 Cb 0.13 -0.25 -0.03 0.00 2.79 0.00 0.00 35.95 38.59 1ixl h PHE 52 CO 0.01 0.83 0.38 0.78 -2.23 0.00 0.00 178.31 178.08 1ixl h GLY 53 N 0.75 0.82 1.00 2.40 0.00 -0.55 0.22 103.07 107.71 1ixl h GLY 53 Ca 0.16 -0.30 0.00 0.00 0.00 0.00 0.00 47.33 47.19 1ixl h GLY 53 CO 0.01 0.28 0.15 -2.00 0.00 0.00 0.00 176.54 174.99 1ixl h LEU 54 N 0.77 0.26 -0.80 3.11 5.85 -0.88 -1.24 115.31 122.37 1ixl h LEU 54 Ca 0.22 -0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.91 1ixl h LEU 54 Cb -0.06 -0.07 -0.04 0.00 0.37 0.00 0.00 40.66 40.86 1ixl h LEU 54 CO -0.06 0.19 0.43 0.00 -0.34 0.00 0.00 178.44 178.67 1ixl h ALA 55 N 1.08 1.03 -0.23 1.25 0.00 -0.63 -1.82 119.26 119.95 1ixl h ALA 55 Ca 0.08 -0.13 0.03 0.00 0.00 0.00 0.00 54.91 54.90 1ixl h ALA 55 Cb -0.04 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 17.41 1ixl h ALA 55 CO -0.02 0.54 0.04 0.22 0.00 0.00 0.00 179.25 180.04 1ixl h ASP 56 N 1.12 0.01 -0.80 0.00 1.82 -0.34 -1.66 116.42 116.56 1ixl h ASP 56 Ca 0.28 0.04 -0.02 0.00 -0.39 0.00 0.00 57.03 56.94 1ixl h ASP 56 Cb 0.04 0.05 -0.04 0.00 0.68 0.00 0.00 39.33 40.06 1ixl h ASP 56 CO -0.04 0.04 0.43 0.22 -1.61 0.00 0.00 179.24 178.28 1ixl h TYR 57 N 0.13 1.10 -0.88 0.28 3.20 -0.99 -2.47 116.97 117.36 1ixl h TYR 57 Ca 0.10 -0.03 -0.02 0.00 3.14 0.00 0.00 58.73 61.93 1ixl h TYR 57 Cb 0.10 -0.35 -0.04 0.00 1.54 0.00 0.00 36.73 37.98 1ixl h TYR 57 CO -0.15 0.77 0.48 0.00 -1.64 0.00 0.00 178.16 177.63 1ixl h ALA 58 N 1.23 1.12 0.00 1.82 0.00 -0.91 -2.07 119.26 120.45 1ixl h ALA 58 Ca 0.28 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1ixl h ALA 58 Cb 0.04 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 17.48 1ixl h ALA 58 CO -0.04 0.63 0.00 0.00 0.00 0.00 0.00 179.25 179.83 1ixl n ALA 59 N -2.40 1.51 0.00 0.00 0.00 -0.66 -0.77 120.51 118.19 1ixl n ALA 59 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.53 1ixl n ALA 59 Cb 0.09 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.54 1ixl n ALA 59 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1ixl n LEU 61 N 0.89 0.00 0.19 0.00 4.77 -0.78 -2.67 117.00 119.40 1ixl n LEU 61 Ca 0.00 0.00 0.05 0.00 -0.03 0.00 0.00 56.01 56.03 1ixl n LEU 61 Cb 0.04 0.00 0.38 0.00 -2.33 0.00 0.00 43.42 41.51 1ixl n LEU 61 CO 0.00 0.00 0.72 0.00 -1.33 0.00 0.00 177.39 176.78 1ixl h ALA 62 N 0.00 1.14 0.06 -1.18 0.00 -1.23 -3.13 119.26 114.92 1ixl h ALA 62 Ca 0.00 -0.33 -0.30 0.00 0.00 0.00 0.00 54.91 54.28 1ixl h ALA 62 Cb 0.00 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 1ixl h ALA 62 CO 0.00 0.45 -1.61 0.28 0.00 0.00 0.00 179.25 178.37 1ixl n VAL 63 N -3.73 1.66 -3.80 0.00 0.31 -1.09 -3.59 118.33 108.08 1ixl n VAL 63 Ca -0.01 -0.32 -0.24 0.00 -0.01 0.00 0.00 64.34 63.75 1ixl n VAL 63 Cb 0.45 -1.90 0.01 0.00 -0.91 0.00 0.00 33.84 31.49 1ixl n VAL 63 CO 0.00 0.00 0.00 -3.20 -1.32 0.00 0.00 176.83 172.31 1ixl n ASN 64 N -3.99 -1.35 -4.31 4.52 5.15 -1.18 -4.90 115.26 109.20 1ixl n ASN 64 Ca -0.32 -0.92 -0.32 0.00 -0.60 0.00 0.00 54.58 52.42 1ixl n ASN 64 Cb 0.86 -3.55 -0.16 0.00 -0.53 0.00 0.00 39.78 36.39 1ixl n ASN 64 CO 0.00 0.00 0.00 -0.70 1.40 0.00 0.00 177.26 177.96 1ixl s GLU 65 N -6.20 2.62 0.25 1.20 2.56 -1.26 -4.62 118.70 113.25 1ixl s GLU 65 Ca 0.06 -0.85 -0.13 0.00 0.00 0.00 0.00 54.97 54.06 1ixl s GLU 65 Cb -0.02 -2.24 0.33 0.00 2.00 0.00 0.00 34.13 34.20 1ixl s GLU 65 CO 0.85 0.40 1.57 -1.35 -0.56 0.00 0.00 175.26 176.17 1ixl h PRO 66 N 6.01 -0.02 -0.30 4.30 0.11 -1.95 -1.47 132.00 138.69 1ixl h PRO 66 Ca -0.34 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.78 1ixl h PRO 66 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1ixl h PRO 66 CO 0.48 -0.01 0.00 0.25 -0.21 0.00 0.00 178.00 178.51 1ixl n THR 67 N -5.54 0.37 -1.92 -1.15 -2.24 -1.26 -4.70 114.28 97.84 1ixl n THR 67 Ca 0.12 -0.33 -0.39 0.00 -2.27 0.00 0.00 64.05 61.18 1ixl n THR 67 Cb 0.43 0.10 0.01 0.00 -2.10 0.00 0.00 70.33 68.78 1ixl n THR 67 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1ixl s VAL 68 N -1.67 2.33 0.05 2.28 0.11 -0.55 -3.35 120.40 119.60 1ixl s VAL 68 Ca 0.16 0.29 -0.04 0.00 -2.93 0.00 0.00 61.98 59.46 1ixl s VAL 68 Cb 0.09 -3.17 -0.02 0.00 -1.53 0.00 0.00 36.38 31.75 1ixl s VAL 68 CO 0.10 0.04 0.06 0.54 -3.33 0.00 0.00 175.10 172.51 1ixl s VAL 69 N -1.25 0.17 -0.21 2.04 0.11 -0.47 -4.97 120.40 115.82 1ixl s VAL 69 Ca 0.60 -1.37 -0.15 0.00 -2.93 0.00 0.00 61.98 58.13 1ixl s VAL 69 Cb -0.41 -1.19 -0.04 0.00 -1.53 0.00 0.00 36.38 33.21 1ixl s VAL 69 CO 0.52 -0.75 0.37 -0.22 -3.33 0.00 0.00 175.10 171.68 1ixl s LEU 70 N -2.55 4.15 -0.22 2.54 2.96 -1.26 -1.59 118.68 122.71 1ixl s LEU 70 Ca 0.01 0.47 -0.02 0.00 -0.22 0.00 0.00 54.13 54.37 1ixl s LEU 70 Cb 0.03 -2.47 -0.19 0.00 0.50 0.00 0.00 46.19 44.06 1ixl s LEU 70 CO -0.08 -0.06 -0.05 0.61 -1.32 0.00 0.00 176.35 175.45 1ixl n GLY 71 N 3.96 -0.44 3.30 7.98 0.00 -0.08 -4.98 105.19 114.94 1ixl n GLY 71 Ca -0.09 -0.19 -0.12 0.00 0.00 0.00 0.00 46.02 45.61 1ixl n GLY 71 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1ixl s LYS 72 N -2.53 0.88 -0.08 1.61 2.20 -1.11 -5.03 119.74 115.69 1ixl s LYS 72 Ca -0.31 -0.41 -0.18 0.00 -0.36 0.00 0.00 55.97 54.70 1ixl s LYS 72 Cb 0.09 0.39 0.04 0.00 -1.51 0.00 0.00 37.83 36.84 1ixl s LYS 72 CO 0.64 -0.30 0.44 0.00 -0.36 0.00 0.00 175.35 175.77 1ixl s ALA 73 N -2.50 -1.10 -0.10 3.13 0.00 -1.26 -0.60 121.76 119.32 1ixl s ALA 73 Ca -0.05 0.88 0.01 0.00 0.00 0.00 0.00 51.96 52.80 1ixl s ALA 73 Cb -0.01 -0.25 0.02 0.00 0.00 0.00 0.00 23.12 22.88 1ixl s ALA 73 CO -0.03 -0.27 -0.11 -1.21 0.00 0.00 0.00 175.76 174.15 1ixl s GLU 74 N -0.71 1.78 0.05 0.00 2.02 -0.69 -5.00 118.70 116.15 1ixl s GLU 74 Ca -0.08 -0.39 0.01 0.00 0.02 0.00 0.00 54.97 54.53 1ixl s GLU 74 Cb -0.03 -1.61 -0.03 0.00 0.10 0.00 0.00 34.13 32.55 1ixl s GLU 74 CO 0.04 -0.11 -0.06 0.14 0.02 0.00 0.00 175.26 175.28 1ixl s VAL 75 N 1.16 0.48 -0.08 2.63 -7.23 -1.26 -1.29 120.40 114.81 1ixl s VAL 75 Ca -0.05 -1.34 0.02 0.00 -1.81 0.00 0.00 61.98 58.81 1ixl s VAL 75 Cb -0.14 -0.91 0.01 0.00 0.56 0.00 0.00 36.38 35.90 1ixl s VAL 75 CO -0.03 -0.58 -0.14 -0.13 -0.31 0.00 0.00 175.10 173.91 1ixl s ARG 76 N -2.35 1.90 -0.32 4.82 0.52 -0.17 -5.00 118.95 118.35 1ixl s ARG 76 Ca -0.04 -0.48 -0.17 0.00 -0.52 0.00 0.00 55.73 54.53 1ixl s ARG 76 Cb -0.04 -1.56 -0.02 0.00 0.52 0.00 0.00 34.95 33.84 1ixl s ARG 76 CO -0.02 0.03 0.45 -0.06 0.02 0.00 0.00 175.30 175.71 1ixl s PHE 77 N 0.70 3.21 -0.12 -0.53 0.40 -1.26 -1.67 117.98 118.71 1ixl s PHE 77 Ca -0.14 0.26 0.16 0.00 -0.60 0.00 0.00 56.93 56.61 1ixl s PHE 77 Cb -0.16 -2.75 -0.23 0.00 0.51 0.00 0.00 43.02 40.38 1ixl s PHE 77 CO 0.03 -0.40 0.40 0.25 0.70 0.00 0.00 175.22 176.20 1ixl n THR 78 N 5.27 1.38 -3.83 0.64 -2.24 -0.31 -4.96 114.28 110.22 1ixl n THR 78 Ca -0.07 -0.80 -0.12 0.00 -2.27 0.00 0.00 64.05 60.79 1ixl n THR 78 Cb 0.50 -0.68 -0.12 0.00 -2.10 0.00 0.00 70.33 67.92 1ixl n THR 78 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1ixl s LYS 79 N -2.63 0.23 0.49 -0.78 1.02 -1.18 -4.98 119.74 111.92 1ixl s LYS 79 Ca -0.07 0.07 -0.22 0.00 0.02 0.00 0.00 55.97 55.77 1ixl s LYS 79 Cb 0.07 0.11 -0.07 0.00 -0.52 0.00 0.00 37.83 37.42 1ixl s LYS 79 CO 0.83 -0.04 1.20 -1.25 -0.92 0.00 0.00 175.35 175.17 1ixl s PRO 80 N -0.23 3.56 -0.10 -1.68 0.04 -1.26 -4.76 135.00 130.57 1ixl s PRO 80 Ca -0.03 1.84 -0.01 0.00 0.04 0.00 0.00 61.00 62.84 1ixl s PRO 80 Cb -0.02 -2.31 -0.03 0.00 0.04 0.00 0.00 34.50 32.18 1ixl s PRO 80 CO 0.00 -0.74 -0.05 0.08 0.04 0.00 0.00 177.00 176.34 1ixl s VAL 81 N -1.53 3.82 0.01 -0.36 1.01 -1.26 -5.05 120.40 117.04 1ixl s VAL 81 Ca 0.67 -0.42 0.05 0.00 0.00 0.00 0.00 61.98 62.28 1ixl s VAL 81 Cb -0.30 -2.61 -0.03 0.00 0.00 0.00 0.00 36.38 33.44 1ixl s VAL 81 CO 0.36 0.56 -0.12 -0.75 0.00 0.00 0.00 175.10 175.15 1ixl s LYS 82 N -0.37 2.39 0.20 2.72 2.20 -1.26 -0.41 119.74 125.20 1ixl s LYS 82 Ca 0.06 -0.80 -0.32 0.00 -0.36 0.00 0.00 55.97 54.54 1ixl s LYS 82 Cb -0.12 -2.38 -0.15 0.00 -1.51 0.00 0.00 37.83 33.67 1ixl s LYS 82 CO 0.02 0.59 1.29 0.28 -0.36 0.00 0.00 175.35 177.17 1ixl n VAL 83 N 1.67 0.87 0.00 4.02 0.31 -0.07 -1.01 118.33 124.13 1ixl n VAL 83 Ca -0.16 -0.22 0.00 0.00 -0.01 0.00 0.00 64.34 63.95 1ixl n VAL 83 Cb 0.52 -1.16 0.00 0.00 -0.91 0.00 0.00 33.84 32.30 1ixl n VAL 83 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1ixl n GLY 84 N 2.14 3.12 3.77 2.92 0.00 -1.17 -5.03 105.19 110.93 1ixl n GLY 84 Ca 0.14 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.78 1ixl n GLY 84 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1ixl s ASP 85 N -1.25 6.26 -0.18 1.61 1.01 -0.18 -4.77 116.67 119.18 1ixl s ASP 85 Ca 0.00 2.42 -0.05 0.00 0.71 0.00 0.00 52.55 55.63 1ixl s ASP 85 Cb 0.00 -2.62 -0.03 0.00 1.01 0.00 0.00 42.92 41.29 1ixl s ASP 85 CO 0.00 -0.86 -0.01 -0.75 0.21 0.00 0.00 175.17 173.76 1ixl s LYS 86 N -2.48 3.66 0.07 8.23 2.20 -1.26 -1.38 119.74 128.79 1ixl s LYS 86 Ca 0.60 -0.51 0.07 0.00 -0.36 0.00 0.00 55.97 55.78 1ixl s LYS 86 Cb -0.32 -3.03 -0.04 0.00 -1.51 0.00 0.00 37.83 32.93 1ixl s LYS 86 CO 0.40 0.11 -0.14 -0.51 -0.36 0.00 0.00 175.35 174.84 1ixl s LEU 87 N 0.73 2.82 -0.11 5.43 1.43 0.17 -4.43 118.68 124.72 1ixl s LEU 87 Ca -0.00 -0.42 -0.01 0.00 -1.03 0.00 0.00 54.13 52.67 1ixl s LEU 87 Cb -0.14 -1.65 0.03 0.00 0.03 0.00 0.00 46.19 44.45 1ixl s LEU 87 CO 0.02 0.22 -0.05 -0.69 0.23 0.00 0.00 176.35 176.07 1ixl s VAL 88 N -1.08 0.87 -0.16 -1.59 1.01 -0.03 0.19 120.40 119.61 1ixl s VAL 88 Ca 0.18 -0.22 -0.13 0.00 0.00 0.00 0.00 61.98 61.81 1ixl s VAL 88 Cb -0.11 -0.94 -0.05 0.00 0.00 0.00 0.00 36.38 35.29 1ixl s VAL 88 CO 0.09 0.32 0.26 0.00 0.00 0.00 0.00 175.10 175.77 1ixl s ALA 89 N 1.77 3.63 -0.24 5.51 0.00 0.52 -0.28 121.76 132.67 1ixl s ALA 89 Ca 0.05 -0.49 -0.01 0.00 0.00 0.00 0.00 51.96 51.51 1ixl s ALA 89 Cb -0.13 -2.33 0.03 0.00 0.00 0.00 0.00 23.12 20.70 1ixl s ALA 89 CO -0.07 0.16 -0.09 0.15 0.00 0.00 0.00 175.76 175.91 1ixl s LYS 90 N 0.27 2.76 -0.12 0.00 1.02 -0.18 -1.63 119.74 121.85 1ixl s LYS 90 Ca 0.15 -1.02 0.01 0.00 0.02 0.00 0.00 55.97 55.13 1ixl s LYS 90 Cb -0.13 -2.91 -0.01 0.00 -0.52 0.00 0.00 37.83 34.26 1ixl s LYS 90 CO 0.03 -0.40 -0.15 0.00 -0.92 0.00 0.00 175.35 173.92 1ixl s ALA 91 N 1.28 2.57 -0.02 5.17 0.00 -0.23 -2.00 121.76 128.52 1ixl s ALA 91 Ca -0.01 -0.90 0.02 0.00 0.00 0.00 0.00 51.96 51.07 1ixl s ALA 91 Cb -0.17 -1.14 0.01 0.00 0.00 0.00 0.00 23.12 21.82 1ixl s ALA 91 CO -0.06 0.28 -0.06 0.21 0.00 0.00 0.00 175.76 176.13 1ixl s LYS 92 N 0.27 0.71 -0.06 0.00 2.20 -0.48 -1.49 119.74 120.89 1ixl s LYS 92 Ca -0.10 -0.20 -0.30 0.00 -0.36 0.00 0.00 55.97 55.01 1ixl s LYS 92 Cb -0.16 -0.70 -0.05 0.00 -1.51 0.00 0.00 37.83 35.42 1ixl s LYS 92 CO 0.06 0.05 1.49 0.42 -0.36 0.00 0.00 175.35 177.01 1ixl s ILE 93 N 0.31 3.76 -0.50 5.43 1.01 -0.66 -1.09 121.20 129.46 1ixl s ILE 93 Ca -0.04 1.00 0.15 0.00 0.00 0.00 0.00 60.65 61.77 1ixl s ILE 93 Cb -0.08 -3.65 -0.19 0.00 0.01 0.00 0.00 42.46 38.55 1ixl s ILE 93 CO 0.00 -0.06 0.55 2.30 0.00 0.00 0.00 174.94 177.73 1ixl n ILE 94 N 5.18 0.00 -3.67 2.92 -5.35 0.92 -4.92 119.36 114.43 1ixl n ILE 94 Ca 0.15 -0.21 -0.11 0.00 -0.27 0.00 0.00 62.75 62.32 1ixl n ILE 94 Cb 0.43 0.74 -0.11 0.00 -1.74 0.00 0.00 39.64 38.96 1ixl n ILE 94 CO 0.00 0.00 0.00 -1.61 -1.76 0.00 0.00 176.55 173.18 1ixl s GLU 95 N -2.63 0.28 -0.36 6.28 2.02 -1.06 -4.99 118.70 118.23 1ixl s GLU 95 Ca 0.02 0.86 -0.08 0.00 0.02 0.00 0.00 54.97 55.79 1ixl s GLU 95 Cb 0.11 0.11 0.04 0.00 0.10 0.00 0.00 34.13 34.49 1ixl s GLU 95 CO 0.63 -0.23 0.16 0.34 0.02 0.00 0.00 175.26 176.17 1ixl s ASP 96 N 2.17 5.50 -0.62 -0.19 -1.08 -1.26 -0.96 116.67 120.23 1ixl s ASP 96 Ca -0.03 -1.13 0.02 0.00 -0.52 0.00 0.00 52.55 50.88 1ixl s ASP 96 Cb -0.11 -1.94 0.39 0.00 -1.46 0.00 0.00 42.92 39.81 1ixl s ASP 96 CO -0.11 -0.37 1.52 0.18 0.52 0.00 0.00 175.17 176.91 1ixl n LEU 97 N 4.89 5.98 0.00 -1.34 4.77 0.78 -5.03 117.00 127.06 1ixl n LEU 97 Ca -0.12 -5.03 0.00 0.00 -0.03 0.00 0.00 56.01 50.83 1ixl n LEU 97 Cb 0.45 -0.73 0.00 0.00 -2.33 0.00 0.00 43.42 40.81 1ixl n LEU 97 CO 0.34 2.02 0.00 0.61 -1.33 0.00 0.00 177.39 179.03 1ixl n GLY 98 N -0.52 2.35 0.13 -0.72 0.00 -1.26 -2.61 105.19 102.56 1ixl n GLY 98 Ca 0.46 -0.13 0.13 0.00 0.00 0.00 0.00 46.02 46.48 1ixl n GLY 98 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1ixl h LYS 99 N 0.00 0.00 -5.66 1.61 -0.00 -1.95 -3.42 116.57 107.14 1ixl h LYS 99 Ca 0.00 0.00 -0.66 0.00 -0.00 0.00 0.00 60.65 59.99 1ixl h LYS 99 Cb 0.00 0.00 -0.16 0.00 -0.00 0.00 0.00 32.23 32.07 1ixl h LYS 99 CO 0.00 0.00 -0.61 0.21 -0.00 0.00 0.00 179.45 179.05 1ixl s LYS 100 N -3.26 3.37 -0.06 0.07 2.20 -1.07 -0.71 119.74 120.28 1ixl s LYS 100 Ca 0.06 -0.41 0.03 0.00 -0.36 0.00 0.00 55.97 55.30 1ixl s LYS 100 Cb 0.10 -2.92 0.01 0.00 -1.51 0.00 0.00 37.83 33.50 1ixl s LYS 100 CO 0.48 0.51 -0.14 0.15 -0.36 0.00 0.00 175.35 176.00 1ixl s LYS 101 N -0.35 1.73 -0.26 4.03 -0.14 0.68 -0.15 119.74 125.27 1ixl s LYS 101 Ca 0.07 -0.49 -0.10 0.00 -1.36 0.00 0.00 55.97 54.09 1ixl s LYS 101 Cb -0.12 -1.45 -0.04 0.00 -1.68 0.00 0.00 37.83 34.53 1ixl s LYS 101 CO 0.02 0.11 0.15 0.42 -0.76 0.00 0.00 175.35 175.29 1ixl s ILE 102 N 0.40 5.06 -0.10 2.17 1.01 -0.13 -0.68 121.20 128.94 1ixl s ILE 102 Ca -0.10 0.08 0.03 0.00 0.00 0.00 0.00 60.65 60.66 1ixl s ILE 102 Cb -0.14 -3.39 -0.01 0.00 0.01 0.00 0.00 42.46 38.94 1ixl s ILE 102 CO 0.03 0.29 -0.21 -0.69 0.00 0.00 0.00 174.94 174.36 1ixl s VAL 103 N 1.56 2.33 -0.09 2.92 1.01 0.50 -0.06 120.40 128.58 1ixl s VAL 103 Ca 0.07 -0.93 -0.10 0.00 0.00 0.00 0.00 61.98 61.01 1ixl s VAL 103 Cb -0.15 -1.90 -0.05 0.00 0.00 0.00 0.00 36.38 34.28 1ixl s VAL 103 CO 0.08 0.55 0.24 -0.70 0.00 0.00 0.00 175.10 175.27 1ixl s GLU 104 N 0.20 3.68 -0.01 2.72 2.12 -0.25 0.13 118.70 127.30 1ixl s GLU 104 Ca -0.13 0.06 0.02 0.00 0.36 0.00 0.00 54.97 55.28 1ixl s GLU 104 Cb -0.16 -3.22 -0.00 0.00 0.26 0.00 0.00 34.13 31.00 1ixl s GLU 104 CO 0.07 0.70 -0.07 0.08 -0.54 0.00 0.00 175.26 175.50 1ixl s VAL 105 N -0.90 0.54 -0.05 3.70 1.01 -0.04 -1.39 120.40 123.28 1ixl s VAL 105 Ca 0.18 -0.29 0.02 0.00 0.00 0.00 0.00 61.98 61.89 1ixl s VAL 105 Cb -0.14 -0.46 0.01 0.00 0.00 0.00 0.00 36.38 35.79 1ixl s VAL 105 CO 0.07 0.16 -0.10 -0.54 0.00 0.00 0.00 175.10 174.68 1ixl s LYS 106 N -0.11 1.32 -0.17 2.72 1.02 -0.85 -0.90 119.74 122.77 1ixl s LYS 106 Ca 0.02 -0.35 -0.05 0.00 0.02 0.00 0.00 55.97 55.61 1ixl s LYS 106 Cb -0.03 -1.16 -0.03 0.00 -0.52 0.00 0.00 37.83 36.08 1ixl s LYS 106 CO -0.00 0.06 0.01 0.08 -0.92 0.00 0.00 175.35 174.57 1ixl s VAL 107 N 0.49 4.25 0.16 3.17 1.01 0.11 -1.02 120.40 128.58 1ixl s VAL 107 Ca -0.09 -0.22 0.08 0.00 0.00 0.00 0.00 61.98 61.74 1ixl s VAL 107 Cb -0.13 -2.90 -0.04 0.00 0.00 0.00 0.00 36.38 33.31 1ixl s VAL 107 CO 0.02 0.47 -0.07 -0.31 0.00 0.00 0.00 175.10 175.20 1ixl s TYR 108 N 0.47 2.71 -0.35 5.22 1.51 0.61 -0.61 117.35 126.91 1ixl s TYR 108 Ca -0.01 -0.19 0.02 0.00 -1.01 0.00 0.00 57.07 55.89 1ixl s TYR 108 Cb -0.14 -1.34 0.10 0.00 -0.11 0.00 0.00 41.96 40.48 1ixl s TYR 108 CO 0.02 0.49 0.10 0.50 -1.11 0.00 0.00 175.55 175.55 1ixl s ARG 109 N -2.72 1.18 7.30 -0.62 3.52 0.01 -0.85 118.95 126.77 1ixl s ARG 109 Ca 0.25 -1.60 0.00 0.00 -0.13 0.00 0.00 55.73 54.24 1ixl s ARG 109 Cb -0.09 -2.65 0.00 0.00 -1.56 0.00 0.00 34.95 30.65 1ixl s ARG 109 CO 0.16 -0.99 0.00 0.39 -0.81 0.00 0.00 175.30 174.05 1ixl n GLU 110 N 4.38 0.00 0.01 5.12 1.02 -1.26 -1.82 120.64 128.08 1ixl n GLU 110 Ca 0.02 0.00 0.11 0.00 -0.02 0.00 0.00 57.16 57.27 1ixl n GLU 110 Cb 0.41 0.00 -0.01 0.00 -0.02 0.00 0.00 31.44 31.82 1ixl n GLU 110 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1ixl n GLU 111 N 9.01 0.10 -2.83 3.49 -0.58 -1.26 -4.95 120.64 123.62 1ixl n GLU 111 Ca 0.00 -0.01 -0.39 0.00 -0.42 0.00 0.00 57.16 56.33 1ixl n GLU 111 Cb 0.00 -1.52 -0.06 0.00 -0.57 0.00 0.00 31.44 29.29 1ixl n GLU 111 CO 0.00 0.00 0.00 -1.21 -0.48 0.00 0.00 177.13 175.44 1ixl s GLU 112 N -3.07 4.73 -0.12 3.49 2.02 -0.75 -5.04 118.70 119.96 1ixl s GLU 112 Ca 0.07 1.36 -0.22 0.00 0.02 0.00 0.00 54.97 56.19 1ixl s GLU 112 Cb 0.16 -3.22 -0.03 0.00 0.10 0.00 0.00 34.13 31.13 1ixl s GLU 112 CO 0.82 0.51 0.67 0.08 0.02 0.00 0.00 175.26 177.36 1ixl s VAL 113 N -1.22 5.04 -0.07 2.63 1.01 -1.26 -0.81 120.40 125.72 1ixl s VAL 113 Ca 0.40 1.33 0.12 0.00 0.00 0.00 0.00 61.98 63.83 1ixl s VAL 113 Cb -0.24 -4.00 -0.18 0.00 0.00 0.00 0.00 36.38 31.96 1ixl s VAL 113 CO 0.29 0.20 0.28 1.33 0.00 0.00 0.00 175.10 177.21 1ixl n VAL 114 N 4.10 0.00 -3.70 2.92 0.24 0.22 -4.15 118.33 117.95 1ixl n VAL 114 Ca -0.01 -0.27 -0.14 0.00 -2.04 0.00 0.00 64.34 61.88 1ixl n VAL 114 Cb 0.51 0.31 -0.09 0.00 -1.47 0.00 0.00 33.84 33.10 1ixl n VAL 114 CO 0.00 0.00 0.00 -0.22 -2.14 0.00 0.00 176.83 174.47 1ixl s LEU 115 N -3.68 0.25 0.00 1.34 0.20 -1.19 -1.16 118.68 114.44 1ixl s LEU 115 Ca -0.03 0.76 0.01 0.00 0.69 0.00 0.00 54.13 55.55 1ixl s LEU 115 Cb 0.08 1.63 -0.00 0.00 -0.43 0.00 0.00 46.19 47.46 1ixl s LEU 115 CO 0.49 -0.26 -0.03 -1.83 -0.29 0.00 0.00 176.35 174.43 1ixl s GLU 116 N -0.18 0.21 0.10 1.98 -1.05 -0.67 -0.71 118.70 118.38 1ixl s GLU 116 Ca -0.04 -0.15 -0.26 0.00 -0.15 0.00 0.00 54.97 54.38 1ixl s GLU 116 Cb -0.03 -0.17 0.08 0.00 -0.44 0.00 0.00 34.13 33.56 1ixl s GLU 116 CO 0.02 0.04 0.91 0.20 0.95 0.00 0.00 175.26 177.38 1ixl s GLY 117 N -0.21 -0.33 -0.14 -3.83 0.00 -0.07 -1.00 107.32 101.74 1ixl s GLY 117 Ca -0.01 0.43 -0.01 0.00 0.00 0.00 0.00 44.72 45.14 1ixl s GLY 117 CO -0.00 0.12 -0.11 0.54 0.00 0.00 0.00 173.10 173.66 1ixl s LYS 118 N -3.28 3.45 -0.17 2.90 1.02 -0.41 -0.86 119.74 122.38 1ixl s LYS 118 Ca 0.09 -0.65 0.01 0.00 0.02 0.00 0.00 55.97 55.44 1ixl s LYS 118 Cb -0.01 -2.72 0.01 0.00 -0.52 0.00 0.00 37.83 34.59 1ixl s LYS 118 CO -0.02 0.19 -0.17 -0.06 -0.92 0.00 0.00 175.35 174.37 1ixl s PHE 119 N 0.43 2.77 -0.47 3.18 0.40 0.12 -1.70 117.98 122.71 1ixl s PHE 119 Ca -0.08 -1.32 -0.17 0.00 -0.60 0.00 0.00 56.93 54.75 1ixl s PHE 119 Cb -0.15 -1.91 0.05 0.00 0.51 0.00 0.00 43.02 41.52 1ixl s PHE 119 CO 0.04 -0.64 0.47 0.71 0.70 0.00 0.00 175.22 176.50 1ixl s TYR 120 N 1.06 3.17 0.04 0.36 1.51 0.23 -0.37 117.35 123.36 1ixl s TYR 120 Ca -0.01 -0.66 0.02 0.00 -1.01 0.00 0.00 57.07 55.42 1ixl s TYR 120 Cb -0.14 -3.18 -0.04 0.00 -0.11 0.00 0.00 41.96 38.49 1ixl s TYR 120 CO -0.06 -0.83 0.04 0.00 -1.11 0.00 0.00 175.55 173.59 1ixl s TYR 122 N -1.25 1.66 -0.36 0.00 2.02 -0.62 -0.23 117.35 118.57 1ixl s TYR 122 Ca 0.24 -0.64 -0.17 0.00 -0.37 0.00 0.00 57.07 56.13 1ixl s TYR 122 Cb -0.12 -1.19 -0.00 0.00 -0.40 0.00 0.00 41.96 40.25 1ixl s TYR 122 CO 0.16 -0.31 0.45 0.08 -1.57 0.00 0.00 175.55 174.36 1ixl s VAL 123 N 0.65 5.08 0.37 0.71 1.01 0.11 -1.37 120.40 126.96 1ixl s VAL 123 Ca -0.15 0.14 -0.06 0.00 0.00 0.00 0.00 61.98 61.92 1ixl s VAL 123 Cb -0.16 -3.92 -0.05 0.00 0.00 0.00 0.00 36.38 32.25 1ixl s VAL 123 CO 0.04 -0.20 0.66 -0.76 0.00 0.00 0.00 175.10 174.84 1ixl s LEU 124 N 2.23 3.89 0.21 3.92 1.43 -1.21 -4.85 118.68 124.30 1ixl s LEU 124 Ca 0.15 0.84 -0.08 0.00 -1.03 0.00 0.00 54.13 54.01 1ixl s LEU 124 Cb -0.16 -3.71 0.17 0.00 0.03 0.00 0.00 46.19 42.52 1ixl s LEU 124 CO 0.13 -0.35 1.82 -0.08 0.23 0.00 0.00 176.35 178.10 1ixl h GLU 125 N 1.11 1.15 -5.14 1.70 4.57 -1.97 -3.44 114.58 112.57 1ixl h GLU 125 Ca -0.48 -0.16 -0.43 0.00 -1.18 0.00 0.00 59.36 57.12 1ixl h GLU 125 Cb 1.20 -0.21 -0.14 0.00 -0.16 0.00 0.00 28.75 29.43 1ixl h GLU 125 CO 0.64 0.88 -0.62 0.21 -1.18 0.00 0.00 179.01 178.93 1ixl s LYS 126 N -5.75 1.53 0.36 1.92 2.47 -1.26 -5.05 119.74 113.97 1ixl s LYS 126 Ca -0.13 -1.83 -0.28 0.00 -1.56 0.00 0.00 55.97 52.17 1ixl s LYS 126 Cb 0.16 -0.70 -0.11 0.00 -1.46 0.00 0.00 37.83 35.72 1ixl s LYS 126 CO 0.82 -0.18 1.44 -1.58 0.16 0.00 0.00 175.35 176.00 1ixl s HIS 127 N -3.41 2.72 0.56 4.03 5.04 -1.26 -4.87 115.29 118.09 1ixl s HIS 127 Ca 0.35 1.23 0.31 0.00 -1.54 0.00 0.00 55.06 55.41 1ixl s HIS 127 Cb 0.08 -3.93 1.46 0.00 0.04 0.00 0.00 32.58 30.23 1ixl s HIS 127 CO 0.14 -2.68 1.86 -0.24 -2.34 0.00 0.00 174.74 171.47 1ixl h VAL 128 N 2.99 0.44 -0.39 0.89 3.04 -1.95 0.22 116.25 121.50 1ixl h VAL 128 Ca -0.50 0.00 -0.07 0.00 -1.01 0.00 0.00 66.70 65.11 1ixl h VAL 128 Cb 1.24 0.54 -0.04 0.00 -2.01 0.00 0.00 31.29 31.01 1ixl h VAL 128 CO 0.65 0.00 0.09 0.18 -1.01 0.00 0.00 177.57 177.48 1ixl n LEU 129 N -4.00 4.05 0.00 3.16 4.77 -1.26 -5.24 117.00 118.48 1ixl n LEU 129 Ca 0.16 -2.08 0.00 0.00 -0.03 0.00 0.00 56.01 54.06 1ixl n LEU 129 Cb 0.91 -0.63 0.00 0.00 -2.33 0.00 0.00 43.42 41.37 1ixl n LEU 129 CO 0.34 0.55 0.00 0.47 -1.33 0.00 0.00 177.39 177.42