#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ixr s ILE 2 N 0.00 4.90 0.00 3.17 1.09 -1.26 -4.85 121.20 124.25 1ixr s ILE 2 Ca 0.00 1.78 0.00 0.00 -1.10 0.00 0.00 60.65 61.33 1ixr s ILE 2 Cb 0.00 -4.19 0.00 0.00 -1.06 0.00 0.00 42.46 37.21 1ixr s ILE 2 CO 0.00 0.23 0.00 -1.14 -0.10 0.00 0.00 174.94 173.93 1ixr n ARG 3 N 3.66 3.32 -3.97 2.79 3.00 -1.26 -3.68 116.66 120.53 1ixr n ARG 3 Ca 0.02 0.00 -0.14 0.00 -0.00 0.00 0.00 57.85 57.73 1ixr n ARG 3 Cb 0.51 -0.92 -0.15 0.00 0.00 0.00 0.00 32.46 31.90 1ixr n ARG 3 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.63 177.16 1ixr s TYR 4 N -1.84 0.20 -0.03 -0.14 5.04 -1.26 0.16 117.35 119.48 1ixr s TYR 4 Ca 0.00 -0.02 -0.01 0.00 -2.44 0.00 0.00 57.07 54.60 1ixr s TYR 4 Cb 0.00 -0.17 0.03 0.00 0.35 0.00 0.00 41.96 42.17 1ixr s TYR 4 CO 0.00 -0.03 0.03 -1.17 -1.34 0.00 0.00 175.55 173.04 1ixr s LEU 5 N 0.18 0.82 -0.18 6.97 2.96 -1.07 -4.90 118.68 123.46 1ixr s LEU 5 Ca -0.01 0.03 -0.01 0.00 -0.22 0.00 0.00 54.13 53.91 1ixr s LEU 5 Cb -0.03 -0.15 0.05 0.00 0.50 0.00 0.00 46.19 46.55 1ixr s LEU 5 CO -0.00 -0.16 -0.03 -0.60 -1.32 0.00 0.00 176.35 174.24 1ixr s ARG 6 N 1.40 1.23 0.03 1.98 3.52 -1.26 -0.54 118.95 125.32 1ixr s ARG 6 Ca -0.05 -0.54 -0.12 0.00 -0.13 0.00 0.00 55.73 54.89 1ixr s ARG 6 Cb -0.13 -2.08 0.04 0.00 -1.56 0.00 0.00 34.95 31.22 1ixr s ARG 6 CO -0.03 -0.51 0.53 0.41 -0.81 0.00 0.00 175.30 174.90 1ixr n GLY 7 N 4.90 0.67 3.74 8.12 0.00 0.49 -4.88 105.19 118.23 1ixr n GLY 7 Ca -0.11 -0.97 -0.41 0.00 0.00 0.00 0.00 46.02 44.53 1ixr n GLY 7 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1ixr s LEU 8 N 0.00 4.43 -0.92 0.99 2.96 -1.02 -2.12 118.68 123.01 1ixr s LEU 8 Ca 0.12 2.32 -0.23 0.00 -0.22 0.00 0.00 54.13 56.12 1ixr s LEU 8 Cb -0.01 -3.61 0.07 0.00 0.50 0.00 0.00 46.19 43.14 1ixr s LEU 8 CO 0.01 -0.44 1.31 -0.69 -1.32 0.00 0.00 176.35 175.22 1ixr s VAL 9 N -0.02 4.09 0.41 1.68 1.01 -0.35 0.88 120.40 128.10 1ixr s VAL 9 Ca 0.54 -0.70 0.09 0.00 0.00 0.00 0.00 61.98 61.92 1ixr s VAL 9 Cb -0.34 -4.94 0.21 0.00 0.00 0.00 0.00 36.38 31.30 1ixr s VAL 9 CO 0.38 -1.79 2.00 0.25 0.00 0.00 0.00 175.10 175.93 1ixr h LEU 10 N 12.20 0.29 -6.00 3.92 5.85 -0.14 -1.66 115.31 129.77 1ixr h LEU 10 Ca 0.06 -0.03 0.18 0.00 0.84 0.00 0.00 57.88 58.94 1ixr h LEU 10 Cb 1.03 -0.07 -0.20 0.00 0.37 0.00 0.00 40.66 41.78 1ixr h LEU 10 CO 1.31 0.32 -0.03 -0.75 -0.34 0.00 0.00 178.44 178.95 1ixr s LYS 11 N -5.05 0.28 1.00 1.25 2.20 -1.08 -4.81 119.74 113.53 1ixr s LYS 11 Ca -0.06 0.40 -0.11 0.00 -0.36 0.00 0.00 55.97 55.84 1ixr s LYS 11 Cb 0.16 0.21 0.19 0.00 -1.51 0.00 0.00 37.83 36.89 1ixr s LYS 11 CO 0.72 -0.39 1.10 0.15 -0.36 0.00 0.00 175.35 176.58 1ixr s LYS 12 N 2.93 0.35 0.00 4.03 1.02 -1.26 -1.72 119.74 125.08 1ixr s LYS 12 Ca 0.12 1.26 0.00 0.00 0.02 0.00 0.00 55.97 57.36 1ixr s LYS 12 Cb -0.09 -1.67 0.00 0.00 -0.52 0.00 0.00 37.83 35.55 1ixr s LYS 12 CO -0.18 -3.00 0.00 -0.85 -0.92 0.00 0.00 175.35 170.41 1ixr n GLU 13 N -4.46 0.00 0.00 1.68 0.28 -0.87 -4.85 120.64 112.43 1ixr n GLU 13 Ca 0.08 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.08 1ixr n GLU 13 Cb 0.53 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.40 1ixr n GLU 13 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1ixr n ALA 14 N -0.57 0.00 -0.57 -1.84 0.00 -1.26 -4.89 120.51 111.38 1ixr n ALA 14 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1ixr n ALA 14 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1ixr n ALA 14 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ixr n GLY 15 N -1.06 0.50 0.00 0.00 0.00 -1.26 -5.05 105.19 98.32 1ixr n GLY 15 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1ixr n GLY 15 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ixr n GLY 16 N 0.06 4.18 3.59 -0.02 0.00 -1.26 -2.07 105.19 109.68 1ixr n GLY 16 Ca 0.00 -1.26 -0.07 0.00 0.00 0.00 0.00 46.02 44.69 1ixr n GLY 16 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1ixr s PHE 17 N -2.33 -0.28 -0.18 1.61 -0.12 -0.05 -2.04 117.98 114.59 1ixr s PHE 17 Ca 0.00 0.07 -0.04 0.00 -0.05 0.00 0.00 56.93 56.91 1ixr s PHE 17 Cb 0.00 0.58 -0.02 0.00 -0.63 0.00 0.00 43.02 42.94 1ixr s PHE 17 CO 0.00 -0.68 -0.03 0.08 -0.05 0.00 0.00 175.22 174.54 1ixr s VAL 18 N -3.24 3.85 -0.13 -2.49 1.01 -0.70 -1.31 120.40 117.39 1ixr s VAL 18 Ca 0.07 -0.36 -0.00 0.00 0.00 0.00 0.00 61.98 61.69 1ixr s VAL 18 Cb -0.01 -2.71 -0.02 0.00 0.00 0.00 0.00 36.38 33.64 1ixr s VAL 18 CO -0.05 0.46 -0.12 -0.22 0.00 0.00 0.00 175.10 175.17 1ixr s LEU 19 N 0.69 2.76 -0.22 3.92 0.20 0.13 0.63 118.68 126.80 1ixr s LEU 19 Ca -0.01 -0.31 -0.21 0.00 0.69 0.00 0.00 54.13 54.29 1ixr s LEU 19 Cb -0.14 -1.62 -0.02 0.00 -0.43 0.00 0.00 46.19 43.97 1ixr s LEU 19 CO 0.02 0.17 0.66 -0.22 -0.29 0.00 0.00 176.35 176.69 1ixr s LEU 20 N 0.32 4.12 -0.55 -0.68 2.96 0.25 0.25 118.68 125.35 1ixr s LEU 20 Ca -0.10 0.84 0.07 0.00 -0.22 0.00 0.00 54.13 54.72 1ixr s LEU 20 Cb -0.16 -2.93 0.28 0.00 0.50 0.00 0.00 46.19 43.88 1ixr s LEU 20 CO 0.05 -0.33 0.74 0.00 -1.32 0.00 0.00 176.35 175.49 1ixr n ALA 21 N 5.35 3.66 -2.16 5.97 0.00 -0.56 -2.42 120.51 130.36 1ixr n ALA 21 Ca -0.00 -4.34 -0.02 0.00 0.00 0.00 0.00 53.44 49.08 1ixr n ALA 21 Cb 0.49 -0.85 0.00 0.00 0.00 0.00 0.00 19.45 19.10 1ixr n ALA 21 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ixr n GLY 22 N 0.69 -0.84 2.57 0.00 0.00 -1.26 -4.20 105.19 102.15 1ixr n GLY 22 Ca 0.28 0.29 0.00 0.00 0.00 0.00 0.00 46.02 46.58 1ixr n GLY 22 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ixr n GLY 23 N -0.92 0.30 2.72 -0.02 0.00 -1.26 -4.99 105.19 101.02 1ixr n GLY 23 Ca 0.02 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.82 1ixr n GLY 23 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ixr s VAL 24 N -1.65 0.18 -0.58 1.61 1.01 -1.26 -5.10 120.40 114.61 1ixr s VAL 24 Ca 0.00 0.14 -0.28 0.00 0.00 0.00 0.00 61.98 61.85 1ixr s VAL 24 Cb 0.00 -0.45 0.02 0.00 0.00 0.00 0.00 36.38 35.95 1ixr s VAL 24 CO 0.00 0.15 1.36 -0.83 0.00 0.00 0.00 175.10 175.78 1ixr s GLY 25 N 2.04 0.93 0.07 4.51 0.00 -1.26 -1.49 107.32 112.13 1ixr s GLY 25 Ca 0.04 -0.76 -0.19 0.00 0.00 0.00 0.00 44.72 43.82 1ixr s GLY 25 CO -0.05 2.73 0.55 -1.36 0.00 0.00 0.00 173.10 174.98 1ixr s PHE 26 N 5.83 3.79 -0.21 1.90 0.08 0.14 -4.87 117.98 124.63 1ixr s PHE 26 Ca 0.49 1.24 -0.02 0.00 0.12 0.00 0.00 56.93 58.75 1ixr s PHE 26 Cb -0.10 -2.47 0.00 0.00 -0.57 0.00 0.00 43.02 39.88 1ixr s PHE 26 CO 0.24 0.58 -0.08 0.12 -0.10 0.00 0.00 175.22 175.98 1ixr s PHE 27 N -1.13 2.92 -0.02 0.36 5.36 -1.26 0.19 117.98 124.40 1ixr s PHE 27 Ca 0.29 -1.18 0.07 0.00 -0.96 0.00 0.00 56.93 55.15 1ixr s PHE 27 Cb -0.19 -2.05 -0.02 0.00 -0.34 0.00 0.00 43.02 40.41 1ixr s PHE 27 CO 0.19 -0.63 -0.23 -0.51 -1.46 0.00 0.00 175.22 172.57 1ixr s LEU 28 N 1.41 2.23 0.48 6.12 1.02 -0.43 -4.23 118.68 125.28 1ixr s LEU 28 Ca 0.05 -0.42 -0.06 0.00 0.02 0.00 0.00 54.13 53.73 1ixr s LEU 28 Cb -0.14 -1.39 -0.04 0.00 0.02 0.00 0.00 46.19 44.64 1ixr s LEU 28 CO -0.06 0.32 0.79 -1.10 0.02 0.00 0.00 176.35 176.32 1ixr s GLN 29 N -0.71 3.55 0.00 1.70 -0.21 -1.18 -0.87 119.66 121.95 1ixr s GLN 29 Ca 0.11 0.22 -0.29 0.00 0.02 0.00 0.00 55.36 55.41 1ixr s GLN 29 Cb -0.10 -2.37 0.10 0.00 1.00 0.00 0.00 33.01 31.63 1ixr s GLN 29 CO -0.00 -0.20 0.98 0.00 -2.12 0.00 0.00 175.29 173.95 1ixr s ALA 30 N -2.73 -1.85 0.20 6.09 0.00 -0.88 -2.60 121.76 120.00 1ixr s ALA 30 Ca 0.48 0.87 -0.32 0.00 0.00 0.00 0.00 51.96 52.99 1ixr s ALA 30 Cb -0.10 0.38 -0.12 0.00 0.00 0.00 0.00 23.12 23.28 1ixr s ALA 30 CO 0.44 -0.78 1.70 -2.30 0.00 0.00 0.00 175.76 174.82 1ixr n PRO 31 N -0.29 2.68 -0.39 0.00 -0.02 -1.26 -4.69 135.00 131.02 1ixr n PRO 31 Ca -0.07 0.96 -0.09 0.00 -2.02 0.00 0.00 63.50 62.28 1ixr n PRO 31 Cb 0.61 -2.80 -0.08 0.00 -0.02 0.00 0.00 33.50 31.21 1ixr n PRO 31 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 1ixr n THR 32 N 3.82 -0.62 0.00 3.45 -1.04 -1.26 0.17 114.28 118.80 1ixr n THR 32 Ca 0.16 2.26 0.00 0.00 -2.04 0.00 0.00 64.05 64.43 1ixr n THR 32 Cb 0.34 -2.81 0.00 0.00 -1.82 0.00 0.00 70.33 66.04 1ixr n THR 32 CO 0.00 0.00 0.00 -2.65 -0.64 0.00 0.00 175.07 171.78 1ixr n PRO 33 N -5.19 0.00 -0.34 -2.82 -0.02 -1.26 -0.15 135.00 125.22 1ixr n PRO 33 Ca 0.03 0.65 -0.02 0.00 -2.02 0.00 0.00 63.50 62.14 1ixr n PRO 33 Cb 0.26 -1.30 0.02 0.00 -0.02 0.00 0.00 33.50 32.46 1ixr n PRO 33 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 1ixr n PHE 34 N -1.97 -0.01 -0.32 6.00 -0.00 -0.35 0.48 117.46 121.29 1ixr n PHE 34 Ca 0.00 1.08 -0.04 0.00 -0.00 0.00 0.00 57.45 58.49 1ixr n PHE 34 Cb 0.00 -0.80 0.01 0.00 -0.00 0.00 0.00 39.48 38.69 1ixr n PHE 34 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 176.76 176.69 1ixr h LEU 35 N 0.00 -1.43 -0.07 -2.13 3.38 0.40 0.14 115.31 115.61 1ixr h LEU 35 Ca 0.29 0.28 -0.01 0.00 0.09 0.00 0.00 57.88 58.53 1ixr h LEU 35 Cb 0.51 0.72 -0.00 0.00 0.09 0.00 0.00 40.66 41.97 1ixr h LEU 35 CO -0.86 -0.29 0.00 1.56 0.09 0.00 0.00 178.44 178.93 1ixr h GLN 36 N -0.07 0.12 -0.64 1.13 4.20 0.35 -3.01 115.11 117.19 1ixr h GLN 36 Ca 0.28 -0.04 0.12 0.00 0.06 0.00 0.00 58.65 59.08 1ixr h GLN 36 Cb 0.57 -0.01 -0.12 0.00 0.30 0.00 0.00 27.48 28.21 1ixr h GLN 36 CO -0.87 0.39 -0.25 0.00 -0.67 0.00 0.00 178.83 177.43 1ixr h ALA 37 N 0.73 0.22 -0.80 3.87 0.00 -0.04 -3.41 119.26 119.83 1ixr h ALA 37 Ca 0.02 0.22 -0.85 0.00 0.00 0.00 0.00 54.91 54.29 1ixr h ALA 37 Cb 0.33 0.65 0.00 0.00 0.00 0.00 0.00 17.79 18.77 1ixr h ALA 37 CO 0.00 -0.54 0.81 -0.11 0.00 0.00 0.00 179.25 179.41 1ixr n LEU 38 N -5.45 1.11 -4.48 0.00 7.94 0.40 -4.94 117.00 111.57 1ixr n LEU 38 Ca 0.07 1.08 -0.40 0.00 -1.11 0.00 0.00 56.01 55.65 1ixr n LEU 38 Cb 0.36 -0.88 -0.11 0.00 0.53 0.00 0.00 43.42 43.32 1ixr n LEU 38 CO 0.01 -0.82 -0.14 -1.83 -1.11 0.00 0.00 177.39 173.50 1ixr s GLU 39 N 3.58 3.33 0.39 1.96 -1.05 -1.26 -5.01 118.70 120.64 1ixr s GLU 39 Ca 1.07 -0.75 -0.25 0.00 -0.15 0.00 0.00 54.97 54.89 1ixr s GLU 39 Cb -1.49 -3.76 -0.09 0.00 -0.44 0.00 0.00 34.13 28.35 1ixr s GLU 39 CO 0.78 -0.50 1.16 -1.83 0.95 0.00 0.00 175.26 175.83 1ixr s GLU 40 N 1.67 4.10 0.00 -4.83 -1.05 -1.26 -3.47 118.70 113.86 1ixr s GLU 40 Ca 0.05 1.81 0.00 0.00 -0.15 0.00 0.00 54.97 56.68 1ixr s GLU 40 Cb -0.18 -2.70 0.00 0.00 -0.44 0.00 0.00 34.13 30.82 1ixr s GLU 40 CO 0.09 -0.27 0.00 0.41 0.95 0.00 0.00 175.26 176.44 1ixr n GLY 41 N 0.64 1.65 1.16 -3.83 0.00 -0.62 -5.02 105.19 99.16 1ixr n GLY 41 Ca 0.04 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.97 1ixr n GLY 41 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1ixr n LYS 42 N -1.29 1.46 -2.40 1.61 5.02 -1.23 -4.83 118.16 116.51 1ixr n LYS 42 Ca 0.00 -1.13 -0.25 0.00 -2.02 0.00 0.00 58.31 54.91 1ixr n LYS 42 Cb 0.00 0.23 0.04 0.00 -0.02 0.00 0.00 35.03 35.29 1ixr n LYS 42 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 1ixr s GLU 43 N -2.63 2.65 -0.28 1.97 2.12 -1.26 -1.21 118.70 120.06 1ixr s GLU 43 Ca 0.04 -0.21 -0.27 0.00 0.36 0.00 0.00 54.97 54.89 1ixr s GLU 43 Cb -0.00 -2.28 0.18 0.00 0.26 0.00 0.00 34.13 32.28 1ixr s GLU 43 CO 0.02 -0.85 1.34 0.54 -0.54 0.00 0.00 175.26 175.77 1ixr s VAL 44 N -3.02 0.00 0.08 3.70 0.11 -0.90 -4.85 120.40 115.52 1ixr s VAL 44 Ca 0.56 0.00 0.09 0.00 -2.93 0.00 0.00 61.98 59.70 1ixr s VAL 44 Cb -0.11 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 33.71 1ixr s VAL 44 CO 0.44 0.00 -0.22 -0.83 -3.33 0.00 0.00 175.10 171.15 1ixr s GLY 45 N -0.49 1.56 -0.19 6.54 0.00 -1.26 -0.38 107.32 113.10 1ixr s GLY 45 Ca 0.07 -1.32 -0.08 0.00 0.00 0.00 0.00 44.72 43.39 1ixr s GLY 45 CO -0.10 -1.25 0.42 -1.34 0.00 0.00 0.00 173.10 170.83 1ixr s VAL 46 N -0.98 -0.47 -0.13 1.40 -7.23 0.30 -4.88 120.40 108.41 1ixr s VAL 46 Ca 0.15 0.15 -0.29 0.00 -1.81 0.00 0.00 61.98 60.17 1ixr s VAL 46 Cb -0.10 -0.66 -0.04 0.00 0.56 0.00 0.00 36.38 36.14 1ixr s VAL 46 CO 0.06 0.06 1.64 -1.00 -0.31 0.00 0.00 175.10 175.55 1ixr s HIS 47 N 2.27 2.04 0.52 2.82 3.76 0.51 -2.59 115.29 124.61 1ixr s HIS 47 Ca -0.04 0.38 0.07 0.00 -0.15 0.00 0.00 55.06 55.32 1ixr s HIS 47 Cb -0.11 -3.92 0.04 0.00 1.11 0.00 0.00 32.58 29.70 1ixr s HIS 47 CO -0.13 -3.40 0.50 0.95 -0.85 0.00 0.00 174.74 171.81 1ixr s THR 48 N 4.64 2.01 -0.19 1.30 -4.23 0.43 -0.61 115.64 118.99 1ixr s THR 48 Ca 0.73 -1.33 -0.05 0.00 -1.18 0.00 0.00 61.69 59.86 1ixr s THR 48 Cb -0.29 -2.34 0.10 0.00 1.34 0.00 0.00 72.50 71.30 1ixr s THR 48 CO 0.29 0.00 0.34 -2.28 -0.54 0.00 0.00 174.62 172.42 1ixr s HIS 49 N -2.68 -0.63 -0.21 3.99 2.46 0.15 -4.35 115.29 114.03 1ixr s HIS 49 Ca 0.44 1.00 -0.21 0.00 0.47 0.00 0.00 55.06 56.76 1ixr s HIS 49 Cb -0.03 0.04 -0.02 0.00 -0.13 0.00 0.00 32.58 32.43 1ixr s HIS 49 CO 0.27 -0.53 0.67 -1.17 -2.47 0.00 0.00 174.74 171.51 1ixr s LEU 50 N 2.50 4.13 -0.17 8.88 2.96 -1.24 -1.48 118.68 134.26 1ixr s LEU 50 Ca 0.04 0.87 0.01 0.00 -0.22 0.00 0.00 54.13 54.83 1ixr s LEU 50 Cb -0.13 -2.95 0.02 0.00 0.50 0.00 0.00 46.19 43.63 1ixr s LEU 50 CO -0.12 -0.32 -0.20 -0.22 -1.32 0.00 0.00 176.35 174.17 1ixr s LEU 51 N 2.11 2.07 0.43 -0.68 2.96 0.30 -4.75 118.68 121.13 1ixr s LEU 51 Ca 0.30 -0.62 -0.07 0.00 -0.22 0.00 0.00 54.13 53.52 1ixr s LEU 51 Cb -0.16 -1.44 -0.05 0.00 0.50 0.00 0.00 46.19 45.05 1ixr s LEU 51 CO 0.10 0.01 0.75 -1.48 -1.32 0.00 0.00 176.35 174.41 1ixr s LEU 52 N 1.19 3.75 0.37 -0.68 0.05 -1.26 -0.16 118.68 121.95 1ixr s LEU 52 Ca 0.02 0.96 -0.06 0.00 0.05 0.00 0.00 54.13 55.09 1ixr s LEU 52 Cb -0.14 -3.87 0.02 0.00 -2.05 0.00 0.00 46.19 40.16 1ixr s LEU 52 CO -0.10 -0.47 0.60 -0.54 -0.55 0.00 0.00 176.35 175.29 1ixr s LYS 53 N -4.31 2.08 0.11 1.48 1.02 -1.16 -4.92 119.74 114.05 1ixr s LYS 53 Ca 0.48 -1.69 -0.21 0.00 0.02 0.00 0.00 55.97 54.57 1ixr s LYS 53 Cb -0.10 0.51 -0.08 0.00 -0.52 0.00 0.00 37.83 37.64 1ixr s LYS 53 CO 0.39 -0.91 1.74 0.93 -0.92 0.00 0.00 175.35 176.58 1ixr h GLU 54 N 2.05 0.10 0.00 1.68 4.39 -2.00 -3.04 114.58 117.75 1ixr h GLU 54 Ca -0.30 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.39 1ixr h GLU 54 Cb 1.24 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.87 1ixr h GLU 54 CO 0.40 0.06 0.00 0.39 -1.16 0.00 0.00 179.01 178.70 1ixr n GLU 55 N -5.07 0.00 -3.41 2.33 4.71 -1.26 -5.03 120.64 112.91 1ixr n GLU 55 Ca -0.04 0.31 0.00 0.00 -0.01 0.00 0.00 57.16 57.42 1ixr n GLU 55 Cb 0.06 -1.26 0.00 0.00 -1.01 0.00 0.00 31.44 29.23 1ixr n GLU 55 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1ixr n GLY 56 N -0.78 -1.29 3.14 0.62 0.00 -1.15 -5.16 105.19 100.57 1ixr n GLY 56 Ca 0.00 -0.97 -0.35 0.00 0.00 0.00 0.00 46.02 44.69 1ixr n GLY 56 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1ixr n LEU 57 N 0.00 -4.18 -3.65 0.99 4.77 -1.26 -3.00 117.00 110.67 1ixr n LEU 57 Ca 0.00 0.27 -0.03 0.00 -0.03 0.00 0.00 56.01 56.21 1ixr n LEU 57 Cb 0.00 -0.89 -0.06 0.00 -2.33 0.00 0.00 43.42 40.14 1ixr n LEU 57 CO 0.00 -5.26 0.19 -0.44 -1.33 0.00 0.00 177.39 170.55 1ixr s SER 58 N -1.27 -0.87 0.29 -1.43 0.01 0.78 -4.86 113.70 106.36 1ixr s SER 58 Ca 0.46 1.40 0.02 0.00 1.31 0.00 0.00 55.95 59.13 1ixr s SER 58 Cb -0.22 2.01 -0.03 0.00 0.21 0.00 0.00 66.02 67.99 1ixr s SER 58 CO 0.77 -0.22 0.46 -0.76 0.41 0.00 0.00 173.24 173.90 1ixr s LEU 59 N 2.81 4.15 -0.23 2.44 1.02 -1.26 0.11 118.68 127.71 1ixr s LEU 59 Ca -0.05 0.33 -0.03 0.00 0.02 0.00 0.00 54.13 54.40 1ixr s LEU 59 Cb -0.12 -3.15 0.10 0.00 0.02 0.00 0.00 46.19 43.04 1ixr s LEU 59 CO -0.17 -0.18 0.22 -0.31 0.02 0.00 0.00 176.35 175.93 1ixr s TYR 60 N -2.13 -0.23 0.10 0.29 2.02 -0.55 -3.11 117.35 113.75 1ixr s TYR 60 Ca 0.38 -0.04 -0.06 0.00 -0.37 0.00 0.00 57.07 56.99 1ixr s TYR 60 Cb -0.10 -0.47 -0.05 0.00 -0.40 0.00 0.00 41.96 40.94 1ixr s TYR 60 CO 0.33 -0.70 0.35 0.20 -1.57 0.00 0.00 175.55 174.15 1ixr s GLY 61 N 2.30 2.26 0.09 0.71 0.00 -1.07 -0.67 107.32 110.93 1ixr s GLY 61 Ca 0.08 -0.54 -0.02 0.00 0.00 0.00 0.00 44.72 44.23 1ixr s GLY 61 CO -0.20 -0.42 0.04 -1.36 0.00 0.00 0.00 173.10 171.16 1ixr s PHE 62 N -1.54 0.59 -1.09 1.90 0.08 0.22 -4.49 117.98 113.66 1ixr s PHE 62 Ca 0.37 -1.06 0.24 0.00 0.12 0.00 0.00 56.93 56.60 1ixr s PHE 62 Cb -0.13 -0.37 1.07 0.00 -0.57 0.00 0.00 43.02 43.02 1ixr s PHE 62 CO 0.22 -0.46 1.78 -0.35 -0.10 0.00 0.00 175.22 176.30 1ixr n PRO 63 N 0.01 0.08 -3.54 0.24 -0.04 -1.26 -0.37 135.00 130.11 1ixr n PRO 63 Ca -0.11 0.08 -0.08 0.00 -0.04 0.00 0.00 63.50 63.35 1ixr n PRO 63 Cb 0.62 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.56 1ixr n PRO 63 CO 0.00 0.00 0.00 0.16 -0.04 0.00 0.00 175.50 175.62 1ixr s ASP 64 N -2.91 -0.37 0.54 3.54 1.47 -1.26 -4.74 116.67 112.95 1ixr s ASP 64 Ca 0.14 -0.09 0.28 0.00 1.18 0.00 0.00 52.55 54.06 1ixr s ASP 64 Cb 0.16 0.45 1.44 0.00 -0.34 0.00 0.00 42.92 44.63 1ixr s ASP 64 CO 0.42 -0.76 1.96 -0.33 0.68 0.00 0.00 175.17 177.14 1ixr h GLU 65 N 2.00 0.00 0.00 2.11 5.08 -1.92 -1.52 114.58 120.33 1ixr h GLU 65 Ca -0.25 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.11 1ixr h GLU 65 Cb 1.25 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.50 1ixr h GLU 65 CO 0.31 0.00 0.00 -1.91 -1.00 0.00 0.00 179.01 176.41 1ixr n GLU 66 N -4.26 0.00 -0.17 2.33 4.07 -1.26 -1.00 120.64 120.35 1ixr n GLU 66 Ca 0.12 0.40 -0.05 0.00 -0.06 0.00 0.00 57.16 57.57 1ixr n GLU 66 Cb 0.72 -1.28 0.04 0.00 -0.06 0.00 0.00 31.44 30.86 1ixr n GLU 66 CO 0.00 0.00 0.00 -0.91 -0.06 0.00 0.00 177.13 176.16 1ixr h ASN 67 N 0.00 0.43 -0.48 4.31 2.35 -1.85 -2.22 115.58 118.12 1ixr h ASN 67 Ca 0.00 0.02 0.08 0.00 -0.55 0.00 0.00 56.30 55.85 1ixr h ASN 67 Cb 0.00 -0.07 -0.10 0.00 0.05 0.00 0.00 38.32 38.20 1ixr h ASN 67 CO 0.00 0.30 -0.40 0.25 -1.65 0.00 0.00 177.43 175.93 1ixr h LEU 68 N 0.55 -1.34 -0.65 1.61 5.85 -1.36 0.30 115.31 120.28 1ixr h LEU 68 Ca 0.21 0.22 0.12 0.00 0.84 0.00 0.00 57.88 59.27 1ixr h LEU 68 Cb 0.07 0.61 -0.09 0.00 0.37 0.00 0.00 40.66 41.62 1ixr h LEU 68 CO -0.12 -0.34 0.20 0.00 -0.34 0.00 0.00 178.44 177.83 1ixr h ALA 69 N 0.63 0.83 -0.51 1.25 0.00 -0.48 0.41 119.26 121.39 1ixr h ALA 69 Ca 0.17 0.12 -0.11 0.00 0.00 0.00 0.00 54.91 55.09 1ixr h ALA 69 Cb 0.57 0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.47 1ixr h ALA 69 CO -0.61 -0.26 -0.13 -0.07 0.00 0.00 0.00 179.25 178.18 1ixr h LEU 70 N 0.34 0.98 -0.03 0.00 3.38 -0.75 -0.50 115.31 118.74 1ixr h LEU 70 Ca 0.35 -0.33 0.01 0.00 0.09 0.00 0.00 57.88 58.00 1ixr h LEU 70 Cb 0.51 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 1ixr h LEU 70 CO -0.39 1.11 -0.04 0.15 0.09 0.00 0.00 178.44 179.35 1ixr h PHE 71 N 0.87 -0.11 -0.64 1.13 3.57 1.00 0.39 116.94 123.15 1ixr h PHE 71 Ca 0.13 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.61 1ixr h PHE 71 Cb 0.69 0.05 -0.03 0.00 2.79 0.00 0.00 35.95 39.45 1ixr h PHE 71 CO 0.04 -0.07 0.31 0.93 -2.23 0.00 0.00 178.31 177.29 1ixr h GLU 72 N -0.07 0.92 0.19 1.11 5.08 -0.11 -1.48 114.58 120.22 1ixr h GLU 72 Ca 0.03 -0.13 -0.01 0.00 -1.00 0.00 0.00 59.36 58.25 1ixr h GLU 72 Cb 0.11 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.19 1ixr h GLU 72 CO -0.07 0.73 -0.09 1.25 -1.00 0.00 0.00 179.01 179.83 1ixr h LEU 73 N 0.88 -0.21 -1.37 1.33 5.85 -0.51 -1.71 115.31 119.56 1ixr h LEU 73 Ca 0.22 -0.04 0.11 0.00 0.84 0.00 0.00 57.88 59.01 1ixr h LEU 73 Cb 0.11 0.06 -0.06 0.00 0.37 0.00 0.00 40.66 41.14 1ixr h LEU 73 CO -0.03 -0.10 0.52 -0.07 -0.34 0.00 0.00 178.44 178.42 1ixr h LEU 74 N -0.31 0.62 -2.23 2.25 3.38 -0.02 -1.88 115.31 117.12 1ixr h LEU 74 Ca -0.03 0.02 0.05 0.00 0.09 0.00 0.00 57.88 58.02 1ixr h LEU 74 Cb 0.24 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 1ixr h LEU 74 CO 0.04 0.36 0.21 -0.07 0.09 0.00 0.00 178.44 179.07 1ixr h LEU 75 N 0.68 0.00 -6.78 1.67 3.38 -0.30 -3.31 115.31 110.64 1ixr h LEU 75 Ca 0.38 0.00 -0.79 0.00 0.09 0.00 0.00 57.88 57.56 1ixr h LEU 75 Cb 0.53 0.00 -0.23 0.00 0.09 0.00 0.00 40.66 41.06 1ixr h LEU 75 CO -0.15 0.00 1.29 -1.54 0.09 0.00 0.00 178.44 178.13 1ixr n SER 76 N -3.73 5.81 0.00 -0.43 3.41 -0.71 -4.54 113.62 113.43 1ixr n SER 76 Ca 0.02 -3.26 0.00 0.00 -0.26 0.00 0.00 58.87 55.36 1ixr n SER 76 Cb 0.33 -1.37 0.00 0.00 -0.26 0.00 0.00 64.21 62.91 1ixr n SER 76 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 1ixr n VAL 77 N 2.30 0.00 0.00 -3.33 0.31 -1.25 -5.04 118.33 111.33 1ixr n VAL 77 Ca 0.32 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.65 1ixr n VAL 77 Cb 0.35 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.28 1ixr n VAL 77 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 1ixr n SER 78 N -1.68 0.00 -4.22 4.52 7.64 -1.26 -4.91 113.62 113.70 1ixr n SER 78 Ca 0.00 0.00 -0.44 0.00 1.01 0.00 0.00 58.87 59.44 1ixr n SER 78 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1ixr n SER 78 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ixr n GLY 79 N 0.00 4.08 0.16 0.23 0.00 -1.26 -4.60 105.19 103.80 1ixr n GLY 79 Ca 0.00 -2.17 0.08 0.00 0.00 0.00 0.00 46.02 43.93 1ixr n GLY 79 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1ixr n VAL 80 N 3.66 0.07 -1.35 1.61 0.31 -1.26 -4.81 118.33 116.55 1ixr n VAL 80 Ca 0.35 -0.11 -0.32 0.00 -0.01 0.00 0.00 64.34 64.25 1ixr n VAL 80 Cb 0.39 -0.07 -0.15 0.00 -0.91 0.00 0.00 33.84 33.10 1ixr n VAL 80 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1ixr n GLY 81 N 0.86 -0.44 0.34 2.92 0.00 -1.26 -4.61 105.19 102.98 1ixr n GLY 81 Ca 0.13 0.76 0.19 0.00 0.00 0.00 0.00 46.02 47.10 1ixr n GLY 81 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1ixr h PRO 82 N 10.59 0.00 0.00 1.61 0.11 -1.96 3.80 132.00 146.15 1ixr h PRO 82 Ca -0.02 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.09 1ixr h PRO 82 Cb 1.14 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.25 1ixr h PRO 82 CO 1.31 0.00 0.00 1.17 -0.21 0.00 0.00 178.00 180.27 1ixr n LYS 83 N -3.03 0.00 -0.34 1.05 4.81 -1.26 0.12 118.16 119.51 1ixr n LYS 83 Ca -0.02 0.34 0.13 0.00 -0.87 0.00 0.00 58.31 57.88 1ixr n LYS 83 Cb 0.23 -1.20 0.26 0.00 0.02 0.00 0.00 35.03 34.35 1ixr n LYS 83 CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85 1ixr h VAL 84 N 0.00 0.05 -0.01 3.15 2.07 -0.82 3.16 116.25 123.85 1ixr h VAL 84 Ca 0.00 -0.01 0.01 0.00 0.82 0.00 0.00 66.70 67.52 1ixr h VAL 84 Cb 0.00 0.03 -0.02 0.00 -1.52 0.00 0.00 31.29 29.78 1ixr h VAL 84 CO 0.00 0.00 -0.18 0.00 0.02 0.00 0.00 177.57 177.42 1ixr h ALA 85 N 1.96 -0.63 -0.70 1.67 0.00 0.71 0.64 119.26 122.91 1ixr h ALA 85 Ca 0.57 -0.03 0.06 0.00 0.00 0.00 0.00 54.91 55.52 1ixr h ALA 85 Cb 1.13 0.67 -0.04 0.00 0.00 0.00 0.00 17.79 19.55 1ixr h ALA 85 CO -0.91 -0.69 0.46 -0.07 0.00 0.00 0.00 179.25 178.04 1ixr h LEU 86 N -0.22 0.63 0.00 0.00 3.38 0.77 -1.31 115.31 118.57 1ixr h LEU 86 Ca 0.01 0.00 0.02 0.00 0.09 0.00 0.00 57.88 58.00 1ixr h LEU 86 Cb 0.24 -0.13 -0.06 0.00 0.09 0.00 0.00 40.66 40.80 1ixr h LEU 86 CO -0.12 0.41 -0.52 0.00 0.09 0.00 0.00 178.44 178.30 1ixr h ALA 87 N 1.62 -0.90 0.31 1.53 0.00 0.80 -1.13 119.26 121.49 1ixr h ALA 87 Ca 0.30 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 55.13 1ixr h ALA 87 Cb 0.26 0.92 -0.02 0.00 0.00 0.00 0.00 17.79 18.95 1ixr h ALA 87 CO -0.10 -1.09 -0.28 -0.07 0.00 0.00 0.00 179.25 177.72 1ixr h LEU 88 N -0.66 -0.73 -1.75 0.00 3.38 0.10 -2.34 115.31 113.31 1ixr h LEU 88 Ca 0.02 0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.05 1ixr h LEU 88 Cb 0.72 0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.71 1ixr h LEU 88 CO -0.35 -0.41 0.15 -0.07 0.09 0.00 0.00 178.44 177.85 1ixr h LEU 89 N -0.61 0.00 0.00 1.67 3.38 -1.12 -0.09 115.31 118.55 1ixr h LEU 89 Ca -0.02 0.00 -0.30 0.00 0.09 0.00 0.00 57.88 57.65 1ixr h LEU 89 Cb 0.54 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.24 1ixr h LEU 89 CO -0.04 0.00 -1.83 -1.20 0.09 0.00 0.00 178.44 175.47 1ixr n SER 90 N -2.52 0.70 0.03 -0.43 7.64 -0.44 -4.39 113.62 114.22 1ixr n SER 90 Ca -0.02 0.34 -0.22 0.00 1.01 0.00 0.00 58.87 59.98 1ixr n SER 90 Cb 0.19 0.15 -0.14 0.00 -1.01 0.00 0.00 64.21 63.40 1ixr n SER 90 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1ixr h ALA 91 N 1.02 0.12 -4.33 -0.43 0.00 -0.67 -3.43 119.26 111.54 1ixr h ALA 91 Ca -0.33 -1.04 -0.70 0.00 0.00 0.00 0.00 54.91 52.85 1ixr h ALA 91 Cb 2.04 0.41 -0.27 0.00 0.00 0.00 0.00 17.79 19.96 1ixr h ALA 91 CO 0.07 0.80 -0.84 -0.51 0.00 0.00 0.00 179.25 178.77 1ixr s LEU 92 N -7.54 2.34 0.63 0.00 1.43 -0.21 -4.98 118.68 110.36 1ixr s LEU 92 Ca -0.18 -0.36 -0.17 0.00 -1.03 0.00 0.00 54.13 52.39 1ixr s LEU 92 Cb 0.04 -1.43 -0.01 0.00 0.03 0.00 0.00 46.19 44.81 1ixr s LEU 92 CO 0.80 0.33 1.20 -2.84 0.23 0.00 0.00 176.35 176.07 1ixr s PRO 93 N -0.63 2.76 0.30 1.29 0.02 -1.26 -4.51 135.00 132.96 1ixr s PRO 93 Ca 0.10 1.77 0.04 0.00 0.02 0.00 0.00 61.00 62.93 1ixr s PRO 93 Cb -0.10 -1.91 0.79 0.00 0.02 0.00 0.00 34.50 33.30 1ixr s PRO 93 CO -0.00 -1.36 1.63 -1.00 -0.33 0.00 0.00 177.00 175.94 1ixr h PRO 94 N 0.52 0.16 0.63 5.54 0.13 -1.97 -0.28 132.00 136.75 1ixr h PRO 94 Ca -0.49 -0.01 -0.02 0.00 -0.87 0.00 0.00 66.00 64.60 1ixr h PRO 94 Cb 1.29 -0.04 -0.01 0.00 0.13 0.00 0.00 31.00 32.37 1ixr h PRO 94 CO 0.54 0.11 -0.48 0.07 -0.23 0.00 0.00 178.00 178.01 1ixr h ARG 95 N 0.17 -1.03 -0.50 0.86 -0.00 -1.90 0.24 114.38 112.21 1ixr h ARG 95 Ca 0.60 0.07 0.05 0.00 -0.00 0.00 0.00 59.98 60.70 1ixr h ARG 95 Cb 1.26 0.23 -0.05 0.00 -0.00 0.00 0.00 29.97 31.42 1ixr h ARG 95 CO -0.70 -0.69 0.24 -0.07 -0.00 0.00 0.00 179.97 178.74 1ixr h LEU 96 N -1.07 0.32 0.00 0.08 4.07 -1.76 0.08 115.31 117.03 1ixr h LEU 96 Ca -0.08 0.04 0.00 0.00 0.08 0.00 0.00 57.88 57.91 1ixr h LEU 96 Cb 0.89 -0.02 0.00 0.00 1.08 0.00 0.00 40.66 42.61 1ixr h LEU 96 CO 0.03 0.22 0.00 -0.11 -1.08 0.00 0.00 178.44 177.50 1ixr n LEU 97 N -4.92 0.00 -0.34 1.67 0.00 -0.18 0.13 117.00 113.37 1ixr n LEU 97 Ca 0.05 0.94 0.09 0.00 0.00 0.00 0.00 56.01 57.09 1ixr n LEU 97 Cb 0.15 -0.44 0.20 0.00 0.00 0.00 0.00 43.42 43.33 1ixr n LEU 97 CO 0.28 -0.44 0.74 0.00 0.00 0.00 0.00 177.39 177.96 1ixr h ALA 98 N -1.75 0.88 -0.65 1.96 0.00 -0.43 2.48 119.26 121.74 1ixr h ALA 98 Ca 0.00 0.35 -0.06 0.00 0.00 0.00 0.00 54.91 55.20 1ixr h ALA 98 Cb 0.00 0.65 -0.03 0.00 0.00 0.00 0.00 17.79 18.41 1ixr h ALA 98 CO 0.00 -0.47 0.16 -0.09 0.00 0.00 0.00 179.25 178.85 1ixr h ARG 99 N 0.01 1.03 0.33 0.00 2.43 -0.74 -0.46 114.38 116.98 1ixr h ARG 99 Ca 0.52 -0.23 -0.02 0.00 -0.81 0.00 0.00 59.98 59.44 1ixr h ARG 99 Cb 0.93 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 30.34 1ixr h ARG 99 CO -0.93 0.91 -0.16 0.00 -1.51 0.00 0.00 179.97 178.28 1ixr h ALA 100 N 1.19 -0.44 -0.80 2.80 0.00 1.10 0.74 119.26 123.86 1ixr h ALA 100 Ca 0.21 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1ixr h ALA 100 Cb 0.34 0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1ixr h ALA 100 CO 0.00 -0.50 0.00 1.28 0.00 0.00 0.00 179.25 180.03 1ixr n LEU 101 N -5.09 0.00 -0.33 0.00 4.77 0.69 0.15 117.00 117.19 1ixr n LEU 101 Ca -0.08 0.87 -0.11 0.00 -0.03 0.00 0.00 56.01 56.65 1ixr n LEU 101 Cb 0.26 -0.37 -0.10 0.00 -2.33 0.00 0.00 43.42 40.89 1ixr n LEU 101 CO 0.25 -0.37 0.49 0.25 -1.33 0.00 0.00 177.39 176.68 1ixr h LEU 102 N 0.00 -2.01 -0.46 2.23 6.46 -1.16 2.26 115.31 122.63 1ixr h LEU 102 Ca 0.00 0.30 0.00 0.00 -0.12 0.00 0.00 57.88 58.06 1ixr h LEU 102 Cb 0.00 0.87 0.00 0.00 -0.73 0.00 0.00 40.66 40.80 1ixr h LEU 102 CO 0.00 -0.27 0.00 -0.62 -0.62 0.00 0.00 178.44 176.93 1ixr n GLU 103 N -5.20 0.81 -3.89 1.25 -0.58 0.25 -4.53 120.64 108.76 1ixr n GLU 103 Ca 0.00 0.00 -0.36 0.00 -0.42 0.00 0.00 57.16 56.39 1ixr n GLU 103 Cb 0.27 -1.19 0.02 0.00 -0.57 0.00 0.00 31.44 29.97 1ixr n GLU 103 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1ixr n GLY 104 N 0.21 -1.03 3.40 0.62 0.00 0.76 -4.90 105.19 104.26 1ixr n GLY 104 Ca 0.00 0.44 -0.45 0.00 0.00 0.00 0.00 46.02 46.02 1ixr n GLY 104 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1ixr s ASP 105 N -3.33 6.60 0.27 1.61 3.68 0.22 -4.80 116.67 120.92 1ixr s ASP 105 Ca 0.32 -2.12 0.13 0.00 2.13 0.00 0.00 52.55 53.01 1ixr s ASP 105 Cb -0.16 -2.33 0.29 0.00 -1.45 0.00 0.00 42.92 39.26 1ixr s ASP 105 CO 0.92 -0.94 1.55 0.00 0.13 0.00 0.00 175.17 176.84 1ixr h ALA 106 N 8.59 0.79 0.00 3.66 0.00 -1.88 -2.92 119.26 127.50 1ixr h ALA 106 Ca 0.07 -0.54 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1ixr h ALA 106 Cb 1.04 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.73 1ixr h ALA 106 CO 1.00 0.75 0.00 0.54 0.00 0.00 0.00 179.25 181.54 1ixr n ARG 107 N -3.51 0.24 0.14 0.00 1.74 -1.26 -3.04 116.66 110.97 1ixr n ARG 107 Ca -0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 1ixr n ARG 107 Cb 0.67 -1.17 0.00 0.00 -1.02 0.00 0.00 32.46 30.95 1ixr n ARG 107 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00 1ixr n LEU 108 N 0.46 -0.91 -0.14 0.55 0.00 -1.13 -4.93 117.00 110.91 1ixr n LEU 108 Ca 0.00 0.50 0.07 0.00 0.00 0.00 0.00 56.01 56.58 1ixr n LEU 108 Cb 0.07 1.02 0.14 0.00 0.00 0.00 0.00 43.42 44.65 1ixr n LEU 108 CO 0.00 -0.54 0.34 0.18 0.00 0.00 0.00 177.39 177.37 1ixr n LEU 109 N -3.32 -0.01 0.21 -1.96 4.77 -1.12 -0.39 117.00 115.18 1ixr n LEU 109 Ca 0.00 0.68 0.12 0.00 -0.03 0.00 0.00 56.01 56.78 1ixr n LEU 109 Cb 0.00 -0.26 0.40 0.00 -2.33 0.00 0.00 43.42 41.23 1ixr n LEU 109 CO 0.00 -0.70 1.10 0.74 -1.33 0.00 0.00 177.39 177.20 1ixr h THR 110 N 0.00 0.04 -0.22 -5.08 2.02 -1.74 -0.44 112.91 107.48 1ixr h THR 110 Ca 0.26 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.50 1ixr h THR 110 Cb 0.58 0.27 -0.06 0.00 -1.74 0.00 0.00 68.15 67.20 1ixr h THR 110 CO -0.37 0.00 -0.15 0.77 0.37 0.00 0.00 175.52 176.14 1ixr h SER 111 N 0.00 -0.50 -2.53 4.18 4.64 -1.01 -3.41 113.55 114.91 1ixr h SER 111 Ca 0.11 0.11 -0.60 0.00 -0.47 0.00 0.00 61.79 60.93 1ixr h SER 111 Cb 1.66 0.26 0.14 0.00 -0.31 0.00 0.00 62.40 64.15 1ixr h SER 111 CO -0.00 -0.19 -0.22 0.00 -0.87 0.00 0.00 176.83 175.54 1ixr n ALA 112 N -2.65 -1.00 -2.36 5.18 0.00 -0.18 -4.89 120.51 114.61 1ixr n ALA 112 Ca -0.01 0.19 -0.40 0.00 0.00 0.00 0.00 53.44 53.22 1ixr n ALA 112 Cb 0.23 -1.87 -0.05 0.00 0.00 0.00 0.00 19.45 17.76 1ixr n ALA 112 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1ixr s SER 113 N -0.89 7.31 0.00 0.00 1.04 -1.26 -3.56 113.70 116.34 1ixr s SER 113 Ca 0.63 1.57 0.00 0.00 0.48 0.00 0.00 55.95 58.63 1ixr s SER 113 Cb -0.60 -2.51 0.00 0.00 0.10 0.00 0.00 66.02 63.01 1ixr s SER 113 CO 0.57 -0.02 0.00 0.61 0.98 0.00 0.00 173.24 175.38 1ixr n GLY 114 N 2.37 1.93 3.40 7.32 0.00 -1.26 -4.80 105.19 114.13 1ixr n GLY 114 Ca -0.01 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.56 1ixr n GLY 114 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ixr s VAL 115 N -2.42 5.21 0.15 1.61 1.01 -1.23 -5.00 120.40 119.72 1ixr s VAL 115 Ca 0.00 -2.17 -0.03 0.00 0.00 0.00 0.00 61.98 59.78 1ixr s VAL 115 Cb 0.00 -4.66 0.04 0.00 0.00 0.00 0.00 36.38 31.76 1ixr s VAL 115 CO 0.00 -1.31 0.12 0.61 0.00 0.00 0.00 175.10 174.53 1ixr n GLY 116 N 4.55 -2.82 0.46 4.51 0.00 -1.26 -4.29 105.19 106.34 1ixr n GLY 116 Ca 0.21 -1.40 -0.18 0.00 0.00 0.00 0.00 46.02 44.66 1ixr n GLY 116 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1ixr h ARG 117 N 0.00 -1.12 0.00 1.61 9.65 -1.96 -3.01 114.38 119.54 1ixr h ARG 117 Ca -0.05 0.08 0.00 0.00 -1.10 0.00 0.00 59.98 58.91 1ixr h ARG 117 Cb 0.15 0.25 0.00 0.00 -1.39 0.00 0.00 29.97 28.99 1ixr h ARG 117 CO 0.03 -0.75 0.00 0.54 2.80 0.00 0.00 179.97 182.59 1ixr n ARG 118 N -5.13 0.00 -0.05 0.20 3.00 -1.26 0.16 116.66 113.58 1ixr n ARG 118 Ca -0.14 0.89 -0.04 0.00 -0.01 0.00 0.00 57.85 58.54 1ixr n ARG 118 Cb 0.46 -1.34 -0.03 0.00 0.00 0.00 0.00 32.46 31.55 1ixr n ARG 118 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.63 178.88 1ixr h LEU 119 N 0.00 -0.56 -0.58 0.55 5.85 -1.92 0.97 115.31 119.62 1ixr h LEU 119 Ca 0.00 0.07 0.12 0.00 0.84 0.00 0.00 57.88 58.91 1ixr h LEU 119 Cb 0.00 0.23 -0.10 0.00 0.37 0.00 0.00 40.66 41.16 1ixr h LEU 119 CO 0.00 -0.11 -0.05 0.00 -0.34 0.00 0.00 178.44 177.94 1ixr h ALA 120 N -0.88 0.50 -0.50 1.25 0.00 -1.31 0.16 119.26 118.49 1ixr h ALA 120 Ca 0.02 0.20 0.10 0.00 0.00 0.00 0.00 54.91 55.23 1ixr h ALA 120 Cb 0.17 0.36 -0.09 0.00 0.00 0.00 0.00 17.79 18.22 1ixr h ALA 120 CO -0.19 -0.41 -0.07 1.49 0.00 0.00 0.00 179.25 180.07 1ixr h GLU 121 N 0.07 0.04 -1.14 0.00 4.57 0.30 0.13 114.58 118.55 1ixr h GLU 121 Ca 0.30 -0.00 -0.55 0.00 -1.18 0.00 0.00 59.36 57.93 1ixr h GLU 121 Cb 0.47 -0.01 -0.24 0.00 -0.16 0.00 0.00 28.75 28.80 1ixr h GLU 121 CO -0.54 0.03 0.70 2.89 -1.18 0.00 0.00 179.01 180.92 1ixr n ARG 122 N -5.31 2.35 0.00 1.92 1.85 0.32 -3.53 116.66 114.26 1ixr n ARG 122 Ca 0.05 -2.70 0.00 0.00 -1.00 0.00 0.00 57.85 54.20 1ixr n ARG 122 Cb 0.27 -2.06 0.00 0.00 -1.05 0.00 0.00 32.46 29.62 1ixr n ARG 122 CO 0.00 0.00 0.00 -0.89 -0.01 0.00 0.00 177.63 176.73 1ixr n ILE 123 N -0.56 0.00 -0.00 8.89 5.41 0.35 -4.27 119.36 129.17 1ixr n ILE 123 Ca 0.52 0.00 -0.13 0.00 1.00 0.00 0.00 62.75 64.14 1ixr n ILE 123 Cb 0.76 -0.54 -0.09 0.00 -0.71 0.00 0.00 39.64 39.06 1ixr n ILE 123 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1ixr h ALA 124 N 0.00 0.01 -0.32 -1.39 0.00 -1.36 -1.79 119.26 114.41 1ixr h ALA 124 Ca 0.00 -0.19 0.06 0.00 0.00 0.00 0.00 54.91 54.78 1ixr h ALA 124 Cb 0.95 -0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.69 1ixr h ALA 124 CO 0.00 -0.30 -0.01 1.25 0.00 0.00 0.00 179.25 180.18 1ixr h LEU 125 N -0.37 -0.15 -1.90 0.00 6.46 -1.82 0.17 115.31 117.70 1ixr h LEU 125 Ca 0.00 0.08 0.06 0.00 -0.12 0.00 0.00 57.88 57.90 1ixr h LEU 125 Cb 0.38 0.14 -0.01 0.00 -0.73 0.00 0.00 40.66 40.44 1ixr h LEU 125 CO 0.00 -0.04 0.21 -0.08 -0.62 0.00 0.00 178.44 177.91 1ixr h GLU 126 N 0.08 0.12 -0.56 1.25 4.57 -1.70 -2.19 114.58 116.15 1ixr h GLU 126 Ca 0.16 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.33 1ixr h GLU 126 Cb 0.21 -0.03 0.00 0.00 -0.16 0.00 0.00 28.75 28.78 1ixr h GLU 126 CO -0.27 0.08 0.00 1.28 -1.18 0.00 0.00 179.01 178.92 1ixr n LEU 127 N -4.47 3.52 -4.42 1.64 4.77 -0.06 -4.96 117.00 113.01 1ixr n LEU 127 Ca 0.04 -1.93 -0.60 0.00 -0.03 0.00 0.00 56.01 53.48 1ixr n LEU 127 Cb 0.29 -0.37 -0.11 0.00 -2.33 0.00 0.00 43.42 40.90 1ixr n LEU 127 CO 0.35 0.87 1.58 0.29 -1.33 0.00 0.00 177.39 179.15 1ixr n LYS 128 N 1.22 0.23 -3.47 3.23 5.02 0.41 -0.01 118.16 124.79 1ixr n LYS 128 Ca 0.19 0.07 -0.20 0.00 -2.02 0.00 0.00 58.31 56.35 1ixr n LYS 128 Cb 0.55 -1.67 0.06 0.00 -0.02 0.00 0.00 35.03 33.94 1ixr n LYS 128 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1ixr n GLY 129 N 6.36 -0.78 0.00 0.72 0.00 -1.26 -4.85 105.19 105.38 1ixr n GLY 129 Ca 0.46 0.36 0.00 0.00 0.00 0.00 0.00 46.02 46.84 1ixr n GLY 129 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1ixr n LYS 130 N -3.82 3.03 -2.59 1.61 4.76 0.98 -4.98 118.16 117.15 1ixr n LYS 130 Ca -0.17 0.00 -0.42 0.00 -2.87 0.00 0.00 58.31 54.85 1ixr n LYS 130 Cb 0.64 -0.36 -0.02 0.00 -1.84 0.00 0.00 35.03 33.44 1ixr n LYS 130 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 1ixr s VAL 131 N -0.37 4.02 0.18 -0.18 1.01 -1.24 -4.98 120.40 118.83 1ixr s VAL 131 Ca 0.00 0.88 -0.32 0.00 0.00 0.00 0.00 61.98 62.55 1ixr s VAL 131 Cb 0.00 -4.73 -0.11 0.00 0.00 0.00 0.00 36.38 31.54 1ixr s VAL 131 CO 0.00 -1.35 1.68 -2.84 0.00 0.00 0.00 175.10 172.59 1ixr s PRO 132 N 4.95 4.16 0.14 2.72 0.02 -1.26 -4.87 135.00 140.87 1ixr s PRO 132 Ca 0.43 2.51 -0.04 0.00 0.02 0.00 0.00 61.00 63.92 1ixr s PRO 132 Cb -0.08 -3.17 0.23 0.00 0.02 0.00 0.00 34.50 31.51 1ixr s PRO 132 CO 0.25 -0.71 0.80 -2.30 -0.33 0.00 0.00 177.00 174.71 1ixr n PRO 133 N 4.20 -0.05 -0.93 5.54 -0.02 -1.26 -4.20 135.00 138.28 1ixr n PRO 133 Ca 0.15 0.80 0.00 0.00 -2.02 0.00 0.00 63.50 62.43 1ixr n PRO 133 Cb 0.37 -1.19 0.00 0.00 -0.02 0.00 0.00 33.50 32.65 1ixr n PRO 133 CO 0.00 0.00 0.00 1.58 1.98 0.00 0.00 175.50 179.06 1ixr n HIS 134 N -4.83 0.00 -0.32 6.00 -0.00 -1.26 -5.10 115.22 109.70 1ixr n HIS 134 Ca 0.08 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.26 1ixr n HIS 134 Cb 0.26 -0.37 0.00 0.00 -0.12 0.00 0.00 29.99 29.75 1ixr n HIS 134 CO 0.00 0.00 0.00 1.47 0.46 0.00 0.00 176.34 178.27