#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iqo s PHE 2 N 0.00 3.35 -0.05 1.96 -0.71 -1.26 -5.07 117.98 116.20 1iqo s PHE 2 Ca 0.00 -2.15 -0.30 0.00 -1.04 0.00 0.00 56.93 53.44 1iqo s PHE 2 Cb 0.00 -2.27 -0.08 0.00 -1.21 0.00 0.00 43.02 39.46 1iqo s PHE 2 CO 0.00 -0.85 2.04 1.51 -1.34 0.00 0.00 175.22 176.57 1iqo n ILE 3 N 4.54 0.64 -2.59 -4.49 0.00 -1.26 -4.93 119.36 111.27 1iqo n ILE 3 Ca -0.10 -0.22 -0.43 0.00 0.00 0.00 0.00 62.75 62.00 1iqo n ILE 3 Cb 0.43 -2.33 -0.02 0.00 0.00 0.00 0.00 39.64 37.72 1iqo n ILE 3 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1iqo s ALA 4 N 5.47 3.51 -0.51 1.51 0.00 -1.26 -5.00 121.76 125.48 1iqo s ALA 4 Ca 0.93 0.42 -0.23 0.00 0.00 0.00 0.00 51.96 53.08 1iqo s ALA 4 Cb -0.44 -3.50 0.04 0.00 0.00 0.00 0.00 23.12 19.22 1iqo s ALA 4 CO 0.42 -0.79 0.82 0.95 0.00 0.00 0.00 175.76 177.16 1iqo s THR 5 N 2.44 4.58 -0.32 0.00 -4.23 -1.26 -4.89 115.64 111.96 1iqo s THR 5 Ca 0.50 0.16 -0.16 0.00 -1.18 0.00 0.00 61.69 61.01 1iqo s THR 5 Cb -0.20 -4.42 -0.02 0.00 1.34 0.00 0.00 72.50 69.21 1iqo s THR 5 CO 0.17 -0.92 0.41 -0.76 -0.54 0.00 0.00 174.62 172.98 1iqo s LEU 6 N 3.45 4.26 -0.61 4.79 2.01 -0.91 -5.01 118.68 126.67 1iqo s LEU 6 Ca 0.27 0.03 -0.02 0.00 0.01 0.00 0.00 54.13 54.41 1iqo s LEU 6 Cb -0.14 -2.44 0.16 0.00 0.01 0.00 0.00 46.19 43.78 1iqo s LEU 6 CO 0.19 -0.32 0.42 -1.59 1.01 0.00 0.00 176.35 176.05 1iqo s LYS 7 N 2.14 2.50 0.96 1.70 0.00 -1.26 -0.12 119.74 125.65 1iqo s LYS 7 Ca 0.15 -2.52 -0.15 0.00 0.00 0.00 0.00 55.97 53.46 1iqo s LYS 7 Cb -0.16 -3.69 0.17 0.00 0.00 0.00 0.00 37.83 34.15 1iqo s LYS 7 CO 0.11 -1.16 1.20 0.20 0.00 0.00 0.00 175.35 175.70 1iqo s GLY 8 N 0.64 1.64 -0.27 0.59 0.00 -0.23 -4.94 107.32 104.75 1iqo s GLY 8 Ca 0.17 -0.83 -0.20 0.00 0.00 0.00 0.00 44.72 43.86 1iqo s GLY 8 CO -0.03 -0.16 0.70 -1.50 0.00 0.00 0.00 173.10 172.11 1iqo s ILE 9 N -3.48 -0.00 -0.74 0.90 2.07 -1.26 -2.55 121.20 116.14 1iqo s ILE 9 Ca 0.68 0.00 0.04 0.00 -1.41 0.00 0.00 60.65 59.96 1iqo s ILE 9 Cb -0.10 -0.99 0.20 0.00 0.13 0.00 0.00 42.46 41.70 1iqo s ILE 9 CO 0.53 0.00 0.63 0.49 -1.91 0.00 0.00 174.94 174.68 1iqo n PHE 10 N 3.49 3.50 -2.71 3.50 3.01 0.76 -4.82 117.46 124.20 1iqo n PHE 10 Ca -0.17 -4.21 -0.41 0.00 1.01 0.00 0.00 57.45 53.67 1iqo n PHE 10 Cb 0.57 -0.72 -0.04 0.00 -0.01 0.00 0.00 39.48 39.27 1iqo n PHE 10 CO 0.00 0.00 0.00 0.95 1.01 0.00 0.00 176.76 178.72 1iqo s THR 11 N -1.71 4.44 0.05 4.37 -4.23 -1.25 -2.65 115.64 114.66 1iqo s THR 11 Ca 0.29 2.04 0.00 0.00 -1.18 0.00 0.00 61.69 62.84 1iqo s THR 11 Cb -0.00 -4.30 0.00 0.00 1.34 0.00 0.00 72.50 69.53 1iqo s THR 11 CO -0.12 0.32 0.00 0.00 -0.54 0.00 0.00 174.62 174.28 1iqo n LEU 12 N 2.73 0.00 -0.12 4.79 -0.00 -0.26 -2.37 117.00 121.76 1iqo n LEU 12 Ca 0.02 0.24 0.13 0.00 -0.00 0.00 0.00 56.01 56.40 1iqo n LEU 12 Cb 0.49 -0.84 0.36 0.00 -0.00 0.00 0.00 43.42 43.44 1iqo n LEU 12 CO 0.51 -0.70 0.61 0.29 -0.00 0.00 0.00 177.39 178.10 1iqo n LYS 13 N -1.16 0.46 0.12 1.47 5.02 -1.10 -3.74 118.16 119.23 1iqo n LYS 13 Ca 0.00 -0.25 0.12 0.00 -2.02 0.00 0.00 58.31 56.16 1iqo n LYS 13 Cb 0.10 -1.49 0.04 0.00 -0.02 0.00 0.00 35.03 33.66 1iqo n LYS 13 CO 0.00 0.00 0.00 0.22 -0.52 0.00 0.00 177.40 177.10 1iqo h ASP 14 N 0.61 0.00 -1.04 4.39 3.58 -1.90 -3.36 116.42 118.71 1iqo h ASP 14 Ca 0.00 -0.01 -0.67 0.00 0.42 0.00 0.00 57.03 56.77 1iqo h ASP 14 Cb 0.49 0.00 -0.31 0.00 1.72 0.00 0.00 39.33 41.23 1iqo h ASP 14 CO 0.00 0.01 0.69 -0.11 -2.88 0.00 0.00 179.24 176.94 1iqo n LEU 15 N -2.71 7.37 -2.65 2.28 -0.00 -1.00 -4.85 117.00 115.44 1iqo n LEU 15 Ca 0.01 -4.38 -0.25 0.00 -0.00 0.00 0.00 56.01 51.39 1iqo n LEU 15 Cb 0.54 -0.91 -0.10 0.00 -0.00 0.00 0.00 43.42 42.95 1iqo n LEU 15 CO 0.39 1.57 2.48 -0.81 -0.00 0.00 0.00 177.39 181.02 1iqo n PRO 16 N -0.87 2.80 0.00 1.96 -0.04 -1.26 -4.18 135.00 133.42 1iqo n PRO 16 Ca 0.60 -1.57 0.00 0.00 -0.04 0.00 0.00 63.50 62.49 1iqo n PRO 16 Cb 0.67 -2.39 0.00 0.00 -0.04 0.00 0.00 33.50 31.74 1iqo n PRO 16 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 1iqo n GLU 17 N 3.05 0.00 0.00 0.54 2.13 -1.26 -1.75 120.64 123.35 1iqo n GLU 17 Ca 0.60 0.00 0.00 0.00 0.66 0.00 0.00 57.16 58.42 1iqo n GLU 17 Cb 0.57 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.28 1iqo n GLU 17 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81 1iqo n GLU 18 N 0.00 0.45 0.00 5.31 0.00 -1.26 -5.11 120.64 120.03 1iqo n GLU 18 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.16 1iqo n GLU 18 Cb 0.00 -0.56 0.00 0.00 0.00 0.00 0.00 31.44 30.88 1iqo n GLU 18 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.13 179.10 1iqo n PHE 19 N -0.74 0.00 -1.43 4.31 1.16 -0.72 -5.09 117.46 114.95 1iqo n PHE 19 Ca 0.00 0.00 -0.47 0.00 -1.87 0.00 0.00 57.45 55.11 1iqo n PHE 19 Cb 0.06 0.00 -0.12 0.00 -1.61 0.00 0.00 39.48 37.81 1iqo n PHE 19 CO 0.00 0.00 0.00 0.54 -1.87 0.00 0.00 176.76 175.43 1iqo n ARG 20 N 0.00 0.28 -2.78 3.97 5.12 -1.26 -4.86 116.66 117.13 1iqo n ARG 20 Ca 0.00 0.04 -0.42 0.00 -1.93 0.00 0.00 57.85 55.54 1iqo n ARG 20 Cb 0.00 -1.87 -0.03 0.00 -1.16 0.00 0.00 32.46 29.39 1iqo n ARG 20 CO 0.00 0.00 0.00 -1.25 -1.93 0.00 0.00 177.63 174.45 1iqo s PRO 21 N 7.72 4.39 0.05 5.56 0.04 -1.26 -4.91 135.00 146.59 1iqo s PRO 21 Ca 1.23 1.23 0.24 0.00 0.04 0.00 0.00 61.00 63.74 1iqo s PRO 21 Cb -1.13 -3.54 0.24 0.00 0.04 0.00 0.00 34.50 30.10 1iqo s PRO 21 CO 0.51 -0.27 1.20 0.34 0.04 0.00 0.00 177.00 178.82 1iqo n PHE 22 N 4.90 0.24 0.63 0.56 7.35 -1.26 -3.97 117.46 125.90 1iqo n PHE 22 Ca 0.06 0.07 0.10 0.00 -0.76 0.00 0.00 57.45 56.92 1iqo n PHE 22 Cb 0.49 -0.40 -0.14 0.00 0.35 0.00 0.00 39.48 39.78 1iqo n PHE 22 CO 0.00 0.00 0.00 1.33 -0.76 0.00 0.00 176.76 177.33 1iqo n VAL 23 N -1.83 0.00 -0.30 -2.13 0.24 -1.26 -4.41 118.33 108.64 1iqo n VAL 23 Ca 0.03 -0.18 0.22 0.00 -2.04 0.00 0.00 64.34 62.37 1iqo n VAL 23 Cb 0.40 0.65 0.51 0.00 -1.47 0.00 0.00 33.84 33.92 1iqo n VAL 23 CO 0.00 0.00 0.00 -0.78 -2.14 0.00 0.00 176.83 173.91 1iqo h ASP 24 N 0.00 0.44 -0.77 -1.34 1.82 -1.99 0.14 116.42 114.72 1iqo h ASP 24 Ca 0.00 0.07 0.03 0.00 -0.39 0.00 0.00 57.03 56.74 1iqo h ASP 24 Cb 0.67 -0.00 -0.05 0.00 0.68 0.00 0.00 39.33 40.63 1iqo h ASP 24 CO 0.00 0.11 0.49 0.10 -1.61 0.00 0.00 179.24 178.33 1iqo h TYR 25 N 0.40 0.91 0.00 0.28 -0.00 -1.84 -0.25 116.97 116.48 1iqo h TYR 25 Ca 0.56 0.02 -0.01 0.00 -0.00 0.00 0.00 58.73 59.30 1iqo h TYR 25 Cb 1.41 -0.30 -0.00 0.00 -0.00 0.00 0.00 36.73 37.84 1iqo h TYR 25 CO -0.00 0.52 -0.05 -0.22 -0.00 0.00 0.00 178.16 178.41 1iqo h LYS 26 N 0.95 0.00 0.00 0.10 3.64 -1.01 0.22 116.57 120.46 1iqo h LYS 26 Ca 0.31 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.65 1iqo h LYS 26 Cb 0.01 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.83 1iqo h LYS 26 CO -0.11 0.05 -0.18 0.00 -2.27 0.00 0.00 179.45 176.94 1iqo h ALA 27 N 1.95 0.94 0.00 5.00 0.00 -0.89 -3.26 119.26 122.99 1iqo h ALA 27 Ca -0.00 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.75 1iqo h ALA 27 Cb 0.14 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1iqo h ALA 27 CO 0.01 0.23 -0.07 0.41 0.00 0.00 0.00 179.25 179.83 1iqo n GLY 28 N 0.57 3.29 2.29 0.00 0.00 -0.24 -3.67 105.19 107.44 1iqo n GLY 28 Ca 0.02 -0.61 -0.31 0.00 0.00 0.00 0.00 46.02 45.11 1iqo n GLY 28 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1iqo n LEU 29 N -0.91 7.37 -2.02 0.99 4.32 0.61 -4.33 117.00 123.04 1iqo n LEU 29 Ca 0.09 -4.07 -0.01 0.00 -0.02 0.00 0.00 56.01 51.99 1iqo n LEU 29 Cb 0.53 -0.93 0.02 0.00 -1.62 0.00 0.00 43.42 41.42 1iqo n LEU 29 CO 0.01 1.34 0.42 1.21 -1.22 0.00 0.00 177.39 179.14 1iqo n GLU 30 N -0.99 0.26 -2.89 3.23 2.13 -1.26 -4.96 120.64 116.16 1iqo n GLU 30 Ca 0.62 -0.40 -0.16 0.00 0.66 0.00 0.00 57.16 57.87 1iqo n GLU 30 Cb 1.00 0.06 -0.00 0.00 0.27 0.00 0.00 31.44 32.76 1iqo n GLU 30 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 1iqo n LYS 31 N -0.38 -2.84 -3.93 5.31 4.76 -1.26 -4.93 118.16 114.89 1iqo n LYS 31 Ca -0.10 0.47 -0.31 0.00 -2.87 0.00 0.00 58.31 55.50 1iqo n LYS 31 Cb 0.60 -5.11 -0.04 0.00 -1.84 0.00 0.00 35.03 28.64 1iqo n LYS 31 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 1iqo s LYS 32 N -5.50 3.39 0.00 1.97 2.20 -1.26 -5.06 119.74 115.49 1iqo s LYS 32 Ca 0.19 -0.46 0.00 0.00 -0.36 0.00 0.00 55.97 55.35 1iqo s LYS 32 Cb -0.10 -3.02 0.00 0.00 -1.51 0.00 0.00 37.83 33.20 1iqo s LYS 32 CO 0.23 0.61 0.69 1.63 -0.36 0.00 0.00 175.35 178.16 1iqo n LYS 33 N 0.34 0.00 -1.12 4.03 5.02 -1.26 -4.36 118.16 120.82 1iqo n LYS 33 Ca -0.06 0.27 0.00 0.00 -2.02 0.00 0.00 58.31 56.50 1iqo n LYS 33 Cb 0.51 -1.19 0.00 0.00 -0.02 0.00 0.00 35.03 34.33 1iqo n LYS 33 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 1iqo n LEU 34 N -1.18 0.00 -2.18 -0.35 7.94 -1.24 -4.66 117.00 115.33 1iqo n LEU 34 Ca 0.00 0.00 -0.22 0.00 -1.11 0.00 0.00 56.01 54.68 1iqo n LEU 34 Cb 0.00 0.00 -0.01 0.00 0.53 0.00 0.00 43.42 43.94 1iqo n LEU 34 CO 0.00 0.00 1.40 -1.20 -1.11 0.00 0.00 177.39 176.48 1iqo n SER 35 N -0.36 6.51 0.04 1.96 7.64 -1.26 -4.54 113.62 123.60 1iqo n SER 35 Ca 0.00 -3.15 0.10 0.00 1.01 0.00 0.00 58.87 56.83 1iqo n SER 35 Cb 0.00 -1.14 0.55 0.00 -1.01 0.00 0.00 64.21 62.61 1iqo n SER 35 CO 0.00 0.00 0.00 -0.78 -3.01 0.00 0.00 175.04 171.25 1iqo h ASP 36 N 2.20 0.24 0.00 6.43 1.82 -1.95 -2.90 116.42 122.25 1iqo h ASP 36 Ca 0.35 -0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.99 1iqo h ASP 36 Cb 0.83 -0.05 0.00 0.00 0.68 0.00 0.00 39.33 40.79 1iqo h ASP 36 CO 0.84 0.16 -0.30 -0.90 -1.61 0.00 0.00 179.24 177.43 1iqo n ASP 37 N -4.48 0.00 -4.78 2.28 5.75 -1.26 -4.80 116.55 109.27 1iqo n ASP 37 Ca 0.05 -1.60 -0.38 0.00 -0.01 0.00 0.00 54.79 52.85 1iqo n ASP 37 Cb 0.26 -0.12 -0.06 0.00 -1.03 0.00 0.00 41.12 40.17 1iqo n ASP 37 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 1iqo s ASP 38 N -0.60 7.40 -0.28 -1.12 2.15 -1.18 -4.92 116.67 118.12 1iqo s ASP 38 Ca 0.00 1.81 0.02 0.00 0.43 0.00 0.00 52.55 54.81 1iqo s ASP 38 Cb 0.00 -2.57 0.08 0.00 -0.30 0.00 0.00 42.92 40.13 1iqo s ASP 38 CO 0.00 0.02 -0.02 -0.70 -0.17 0.00 0.00 175.17 174.30 1iqo s GLU 39 N -1.76 1.64 0.09 4.34 2.12 -1.26 -1.11 118.70 122.76 1iqo s GLU 39 Ca 0.46 -1.38 0.06 0.00 0.36 0.00 0.00 54.97 54.47 1iqo s GLU 39 Cb -0.21 -2.80 -0.04 0.00 0.26 0.00 0.00 34.13 31.35 1iqo s GLU 39 CO 0.26 -0.74 -0.06 0.42 -0.54 0.00 0.00 175.26 174.59 1iqo s ILE 40 N 1.18 3.62 -0.00 -3.70 -1.09 -1.09 0.56 121.20 120.69 1iqo s ILE 40 Ca 0.00 -1.11 -0.09 0.00 -2.23 0.00 0.00 60.65 57.22 1iqo s ILE 40 Cb -0.19 -2.69 0.01 0.00 -1.58 0.00 0.00 42.46 38.00 1iqo s ILE 40 CO -0.09 0.15 0.18 0.00 -1.23 0.00 0.00 174.94 173.95 1iqo s ALA 41 N -1.22 -0.44 -0.14 9.38 0.00 -1.04 -0.17 121.76 128.13 1iqo s ALA 41 Ca 0.22 -0.01 -0.02 0.00 0.00 0.00 0.00 51.96 52.15 1iqo s ALA 41 Cb -0.11 0.09 0.04 0.00 0.00 0.00 0.00 23.12 23.15 1iqo s ALA 41 CO 0.15 -0.22 0.02 0.96 0.00 0.00 0.00 175.76 176.66 1iqo s ILE 42 N -1.34 0.48 -0.35 0.00 -0.00 -1.06 -2.38 121.20 116.55 1iqo s ILE 42 Ca -0.14 -0.26 -0.14 0.00 -0.00 0.00 0.00 60.65 60.11 1iqo s ILE 42 Cb -0.07 -0.82 -0.01 0.00 -0.00 0.00 0.00 42.46 41.56 1iqo s ILE 42 CO 0.02 0.01 0.29 -0.63 -0.00 0.00 0.00 174.94 174.63 1iqo s ILE 43 N 1.90 5.24 -0.18 8.37 -1.09 -1.10 -1.07 121.20 133.28 1iqo s ILE 43 Ca 0.02 -0.21 -0.11 0.00 -2.23 0.00 0.00 60.65 58.12 1iqo s ILE 43 Cb -0.15 -3.78 -0.05 0.00 -1.58 0.00 0.00 42.46 36.90 1iqo s ILE 43 CO -0.07 -0.09 0.17 -0.94 -1.23 0.00 0.00 174.94 172.79 1iqo s SER 44 N 1.72 6.28 -0.35 3.58 1.04 0.82 -2.97 113.70 123.83 1iqo s SER 44 Ca 0.08 0.32 0.13 0.00 0.48 0.00 0.00 55.95 56.95 1iqo s SER 44 Cb -0.17 -2.11 0.41 0.00 0.10 0.00 0.00 66.02 64.25 1iqo s SER 44 CO 0.11 0.18 1.42 2.30 0.98 0.00 0.00 173.24 178.23 1iqo n ILE 45 N 3.42 0.14 0.00 -1.02 -0.00 -1.26 -2.14 119.36 118.50 1iqo n ILE 45 Ca -0.15 -1.42 0.00 0.00 -0.00 0.00 0.00 62.75 61.18 1iqo n ILE 45 Cb 0.52 1.01 0.00 0.00 -0.00 0.00 0.00 39.64 41.17 1iqo n ILE 45 CO 0.00 0.00 0.00 1.17 -0.00 0.00 0.00 176.55 177.72 1iqo n LYS 46 N -1.08 0.00 0.00 6.28 0.00 -1.24 -4.84 118.16 117.28 1iqo n LYS 46 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.21 1iqo n LYS 46 Cb 0.86 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.89 1iqo n LYS 46 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1iqo n GLY 47 N 0.00 0.19 0.01 3.14 0.00 -1.26 -0.29 105.19 106.99 1iqo n GLY 47 Ca 0.00 0.72 -0.02 0.00 0.00 0.00 0.00 46.02 46.72 1iqo n GLY 47 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1iqo n THR 48 N 0.00 0.19 0.00 2.61 -1.04 -1.26 -4.97 114.28 109.80 1iqo n THR 48 Ca 0.00 -0.10 0.00 0.00 -2.04 0.00 0.00 64.05 61.91 1iqo n THR 48 Cb 0.00 -0.84 0.00 0.00 -1.82 0.00 0.00 70.33 67.67 1iqo n THR 48 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1iqo n GLN 49 N -2.25 0.00 -2.82 -2.82 0.00 0.60 -5.16 117.38 104.93 1iqo n GLN 49 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 57.00 56.95 1iqo n GLN 49 Cb 0.58 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.82 1iqo n GLN 49 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.06 175.93 1iqo n SER 50 N 0.00 0.00 -2.84 2.61 3.41 -0.66 -5.03 113.62 111.11 1iqo n SER 50 Ca 0.00 0.00 -0.11 0.00 -0.26 0.00 0.00 58.87 58.50 1iqo n SER 50 Cb 0.00 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 63.93 1iqo n SER 50 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 1iqo n ASN 51 N 0.00 2.32 -4.05 4.04 0.23 -1.26 -3.70 115.26 112.84 1iqo n ASN 51 Ca 0.00 -1.75 -0.16 0.00 -0.53 0.00 0.00 54.58 52.13 1iqo n ASN 51 Cb 0.00 0.15 -0.13 0.00 -2.08 0.00 0.00 39.78 37.72 1iqo n ASN 51 CO 0.00 0.00 0.00 -1.38 -0.93 0.00 0.00 177.26 174.95 1iqo s HIS 52 N -1.67 0.78 0.23 -2.53 -3.43 -1.16 -5.00 115.29 102.51 1iqo s HIS 52 Ca 0.01 -0.31 0.02 0.00 -0.80 0.00 0.00 55.06 53.97 1iqo s HIS 52 Cb 0.00 -0.47 -0.04 0.00 -1.43 0.00 0.00 32.58 30.64 1iqo s HIS 52 CO 0.01 -0.02 0.39 0.08 -2.00 0.00 0.00 174.74 173.19 1iqo s VAL 53 N -0.78 5.22 -0.19 -5.38 1.01 -1.26 -2.69 120.40 116.33 1iqo s VAL 53 Ca -0.02 -0.64 -0.29 0.00 0.00 0.00 0.00 61.98 61.03 1iqo s VAL 53 Cb -0.07 -3.80 0.13 0.00 0.00 0.00 0.00 36.38 32.65 1iqo s VAL 53 CO 0.00 -0.28 1.05 -0.76 0.00 0.00 0.00 175.10 175.11 1iqo s LEU 54 N -3.71 -0.34 0.69 3.92 1.43 -1.00 -5.03 118.68 114.65 1iqo s LEU 54 Ca 0.37 0.41 -0.13 0.00 -1.03 0.00 0.00 54.13 53.74 1iqo s LEU 54 Cb -0.10 1.77 0.02 0.00 0.03 0.00 0.00 46.19 47.90 1iqo s LEU 54 CO 0.30 -0.28 1.10 0.12 0.23 0.00 0.00 176.35 177.82 1iqo s PHE 55 N -0.91 2.64 -0.03 0.29 2.19 -1.26 -2.48 117.98 118.41 1iqo s PHE 55 Ca 0.00 1.55 0.04 0.00 0.33 0.00 0.00 56.93 58.85 1iqo s PHE 55 Cb -0.01 -3.11 -0.00 0.00 -1.31 0.00 0.00 43.02 38.58 1iqo s PHE 55 CO -0.01 -1.69 -0.16 -0.51 1.83 0.00 0.00 175.22 174.68 1iqo s LEU 56 N -5.22 1.93 0.25 6.12 2.01 0.19 -4.84 118.68 119.13 1iqo s LEU 56 Ca 0.65 -0.32 0.04 0.00 0.01 0.00 0.00 54.13 54.50 1iqo s LEU 56 Cb -0.19 -0.90 -0.03 0.00 0.01 0.00 0.00 46.19 45.08 1iqo s LEU 56 CO 0.46 0.16 0.39 -0.44 1.01 0.00 0.00 176.35 177.93 1iqo s SER 57 N -0.05 6.32 -0.14 2.29 0.01 -1.26 -4.30 113.70 116.57 1iqo s SER 57 Ca -0.01 0.17 -0.02 0.00 1.31 0.00 0.00 55.95 57.40 1iqo s SER 57 Cb -0.10 -1.90 -0.02 0.00 0.21 0.00 0.00 66.02 64.21 1iqo s SER 57 CO 0.01 -0.10 -0.09 -0.55 0.41 0.00 0.00 173.24 172.92 1iqo s SER 58 N -3.89 4.36 0.00 2.44 0.15 -1.26 -5.05 113.70 110.45 1iqo s SER 58 Ca 0.35 -0.24 0.00 0.00 0.70 0.00 0.00 55.95 56.76 1iqo s SER 58 Cb -0.09 -1.69 0.00 0.00 -1.71 0.00 0.00 66.02 62.53 1iqo s SER 58 CO 0.30 0.16 0.00 0.00 1.20 0.00 0.00 173.24 174.91 1iqo n TYR 59 N 3.54 0.00 -0.29 3.44 0.18 -1.26 -5.07 117.16 117.70 1iqo n TYR 59 Ca -0.18 0.00 -0.08 0.00 1.88 0.00 0.00 57.90 59.53 1iqo n TYR 59 Cb 0.53 0.00 -0.07 0.00 -0.38 0.00 0.00 39.34 39.42 1iqo n TYR 59 CO 0.00 0.00 0.00 0.27 -2.08 0.00 0.00 176.86 175.05 1iqo n ASN 60 N 0.00 -0.74 -3.45 9.48 6.94 -1.26 -4.48 115.26 121.74 1iqo n ASN 60 Ca 0.00 1.43 0.00 0.00 -0.02 0.00 0.00 54.58 55.99 1iqo n ASN 60 Cb 0.00 -0.26 0.00 0.00 -2.36 0.00 0.00 39.78 37.16 1iqo n ASN 60 CO 0.00 0.00 0.00 -1.54 -1.03 0.00 0.00 177.26 174.69 1iqo n SER 61 N -4.63 0.00 0.00 0.53 3.41 -1.26 -4.51 113.62 107.16 1iqo n SER 61 Ca 0.01 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.62 1iqo n SER 61 Cb 0.18 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.13 1iqo n SER 61 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 1iqo n VAL 62 N -0.15 0.00 0.00 -3.33 0.24 -1.26 -4.72 118.33 109.11 1iqo n VAL 62 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 1iqo n VAL 62 Cb 0.00 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.37 1iqo n VAL 62 CO 0.00 0.00 0.00 -0.90 -2.14 0.00 0.00 176.83 173.79 1iqo n ASP 63 N 1.80 0.00 0.01 -1.34 5.68 -1.26 -4.51 116.55 116.92 1iqo n ASP 63 Ca 0.00 0.00 0.22 0.00 -0.50 0.00 0.00 54.79 54.51 1iqo n ASP 63 Cb 0.00 0.00 0.63 0.00 -1.14 0.00 0.00 41.12 40.61 1iqo n ASP 63 CO 0.00 0.00 0.00 1.05 -1.33 0.00 0.00 177.20 176.92 1iqo h GLU 64 N 0.00 0.00 -0.33 0.11 4.11 -1.97 -2.80 114.58 113.70 1iqo h GLU 64 Ca 0.00 0.00 0.03 0.00 0.07 0.00 0.00 59.36 59.46 1iqo h GLU 64 Cb 0.00 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.21 1iqo h GLU 64 CO 0.00 0.00 -0.19 -0.89 0.07 0.00 0.00 179.01 178.00 1iqo n ILE 65 N -3.46 -0.22 0.09 -1.06 5.41 -1.26 0.15 119.36 119.00 1iqo n ILE 65 Ca 0.12 1.30 -0.13 0.00 1.00 0.00 0.00 62.75 65.05 1iqo n ILE 65 Cb 0.93 -1.66 -0.11 0.00 -0.71 0.00 0.00 39.64 38.09 1iqo n ILE 65 CO 0.00 0.00 0.00 0.03 0.00 0.00 0.00 176.55 176.58 1iqo h ARG 66 N 0.00 0.21 -0.91 0.38 3.08 -1.91 -3.09 114.38 112.14 1iqo h ARG 66 Ca 0.05 -0.33 0.13 0.00 0.07 0.00 0.00 59.98 59.91 1iqo h ARG 66 Cb 0.14 0.12 -0.07 0.00 0.08 0.00 0.00 29.97 30.23 1iqo h ARG 66 CO -0.31 1.13 0.58 -0.22 -1.07 0.00 0.00 179.97 180.08 1iqo h LYS 67 N 0.07 0.76 -0.01 0.04 3.64 -0.64 0.51 116.57 120.95 1iqo h LYS 67 Ca -0.09 -0.05 -0.02 0.00 -1.27 0.00 0.00 60.65 59.22 1iqo h LYS 67 Cb 1.83 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 33.48 1iqo h LYS 67 CO 0.17 0.50 -0.08 1.49 -2.27 0.00 0.00 179.45 179.27 1iqo h GLU 68 N 0.78 0.07 -0.52 1.90 4.57 0.13 -2.76 114.58 118.75 1iqo h GLU 68 Ca 0.45 -0.06 0.02 0.00 -1.18 0.00 0.00 59.36 58.59 1iqo h GLU 68 Cb 0.61 0.01 -0.03 0.00 -0.16 0.00 0.00 28.75 29.19 1iqo h GLU 68 CO -0.21 0.77 0.32 -0.07 -1.18 0.00 0.00 179.01 178.65 1iqo h LEU 69 N -0.62 0.53 -1.80 1.64 4.07 -1.32 -0.88 115.31 116.93 1iqo h LEU 69 Ca -0.01 -0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.95 1iqo h LEU 69 Cb 0.79 -0.12 -0.01 0.00 1.08 0.00 0.00 40.66 42.41 1iqo h LEU 69 CO 0.02 0.38 0.12 -0.08 -1.08 0.00 0.00 178.44 177.80 1iqo h GLU 70 N 0.65 0.26 -0.12 1.13 4.81 -0.08 0.37 114.58 121.60 1iqo h GLU 70 Ca 0.21 -0.02 -0.05 0.00 -0.13 0.00 0.00 59.36 59.37 1iqo h GLU 70 Cb -0.01 -0.06 -0.00 0.00 0.63 0.00 0.00 28.75 29.31 1iqo h GLU 70 CO -0.08 0.18 -0.10 1.49 -0.73 0.00 0.00 179.01 179.76 1iqo h GLU 71 N 0.26 0.28 -0.17 1.92 4.81 -0.90 -2.96 114.58 117.82 1iqo h GLU 71 Ca 0.07 -0.14 0.00 0.00 -0.13 0.00 0.00 59.36 59.16 1iqo h GLU 71 Cb -0.02 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.36 1iqo h GLU 71 CO -0.01 0.67 0.00 0.00 -0.73 0.00 0.00 179.01 178.94 1iqo n ALA 72 N -2.40 2.51 -0.10 2.92 0.00 -0.48 -2.57 120.51 120.40 1iqo n ALA 72 Ca -0.06 -0.40 -0.18 0.00 0.00 0.00 0.00 53.44 52.79 1iqo n ALA 72 Cb 0.33 -1.07 -0.08 0.00 0.00 0.00 0.00 19.45 18.62 1iqo n ALA 72 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1iqo n GLY 73 N 0.95 -0.79 1.03 0.00 0.00 0.13 -4.85 105.19 101.66 1iqo n GLY 73 Ca 0.12 -0.02 -0.03 0.00 0.00 0.00 0.00 46.02 46.08 1iqo n GLY 73 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1iqo n ALA 74 N -3.67 3.16 -1.29 4.61 0.00 -1.18 -4.64 120.51 117.50 1iqo n ALA 74 Ca -0.29 -1.00 0.00 0.00 0.00 0.00 0.00 53.44 52.15 1iqo n ALA 74 Cb 0.60 -0.39 0.00 0.00 0.00 0.00 0.00 19.45 19.66 1iqo n ALA 74 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1iqo n LYS 75 N 0.11 3.10 0.00 0.00 3.00 -1.06 -4.98 118.16 118.33 1iqo n LYS 75 Ca -0.16 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.15 1iqo n LYS 75 Cb 0.78 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.81 1iqo n LYS 75 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.40 177.84 1iqo n ILE 76 N 0.00 0.00 -0.01 3.15 -0.00 -1.26 -4.96 119.36 116.27 1iqo n ILE 76 Ca 0.00 0.69 0.00 0.00 -0.00 0.00 0.00 62.75 63.44 1iqo n ILE 76 Cb 0.00 -1.10 0.00 0.00 -0.00 0.00 0.00 39.64 38.54 1iqo n ILE 76 CO 0.00 0.00 0.00 -3.20 -0.00 0.00 0.00 176.55 173.35 1iqo n ASN 77 N -0.59 0.00 -3.57 7.28 5.15 -1.26 -5.06 115.26 117.21 1iqo n ASN 77 Ca 0.00 0.00 -0.33 0.00 -0.60 0.00 0.00 54.58 53.65 1iqo n ASN 77 Cb 0.00 0.00 -0.04 0.00 -0.53 0.00 0.00 39.78 39.21 1iqo n ASN 77 CO 0.00 0.00 0.00 1.41 1.40 0.00 0.00 177.26 180.07 1iqo n HIS 78 N -0.27 3.16 -0.02 1.20 8.25 -1.26 -4.83 115.22 121.45 1iqo n HIS 78 Ca 0.00 -3.47 -0.02 0.00 -0.26 0.00 0.00 57.72 53.97 1iqo n HIS 78 Cb 0.00 -0.83 -0.01 0.00 1.12 0.00 0.00 29.99 30.27 1iqo n HIS 78 CO 0.00 0.00 0.00 2.41 0.64 0.00 0.00 176.34 179.39 1iqo n THR 79 N 0.79 0.36 0.11 1.59 -1.04 -1.26 -4.73 114.28 110.10 1iqo n THR 79 Ca 0.30 0.42 -0.12 0.00 -2.04 0.00 0.00 64.05 62.61 1iqo n THR 79 Cb 0.37 -1.72 -0.08 0.00 -1.82 0.00 0.00 70.33 67.08 1iqo n THR 79 CO 0.00 0.00 0.00 0.71 -0.64 0.00 0.00 175.07 175.14 1iqo h THR 80 N -0.25 0.80 -1.70 12.58 1.35 -2.06 -3.47 112.91 120.17 1iqo h THR 80 Ca 0.00 -0.79 -0.38 0.00 -0.55 0.00 0.00 66.41 64.69 1iqo h THR 80 Cb 0.18 1.22 -0.09 0.00 -1.73 0.00 0.00 68.15 67.72 1iqo h THR 80 CO 0.00 0.16 -0.41 0.18 -0.25 0.00 0.00 175.52 175.20 1iqo n LEU 81 N -5.04 -1.60 -0.11 3.87 4.77 -1.26 -4.88 117.00 112.74 1iqo n LEU 81 Ca -0.09 0.25 -0.10 0.00 -0.03 0.00 0.00 56.01 56.04 1iqo n LEU 81 Cb 0.26 -2.68 -0.02 0.00 -2.33 0.00 0.00 43.42 38.64 1iqo n LEU 81 CO 0.29 -0.64 0.84 0.50 -1.33 0.00 0.00 177.39 177.05 1iqo h LYS 82 N 0.00 0.54 -0.82 3.23 3.64 -2.00 -2.75 116.57 118.41 1iqo h LYS 82 Ca -0.42 -0.14 0.09 0.00 -1.27 0.00 0.00 60.65 58.92 1iqo h LYS 82 Cb 1.28 -0.07 -0.06 0.00 -0.41 0.00 0.00 32.23 32.98 1iqo h LYS 82 CO 0.55 0.61 0.53 -0.84 -2.27 0.00 0.00 179.45 178.03 1iqo h ILE 83 N 0.38 0.97 -0.16 2.00 -0.00 -1.99 0.26 117.51 118.98 1iqo h ILE 83 Ca 0.10 -0.27 -0.07 0.00 -0.00 0.00 0.00 64.86 64.62 1iqo h ILE 83 Cb 0.32 0.10 -0.01 0.00 -0.00 0.00 0.00 36.82 37.23 1iqo h ILE 83 CO 0.00 0.15 -0.21 0.25 -0.00 0.00 0.00 178.15 178.34 1iqo h LEU 84 N 0.80 0.26 -0.84 0.16 6.46 -1.89 0.31 115.31 120.58 1iqo h LEU 84 Ca 0.37 -0.07 -0.12 0.00 -0.12 0.00 0.00 57.88 57.94 1iqo h LEU 84 Cb 0.39 -0.07 -0.02 0.00 -0.73 0.00 0.00 40.66 40.23 1iqo h LEU 84 CO -0.14 0.49 -0.58 -0.08 -0.62 0.00 0.00 178.44 177.50 1iqo h GLU 85 N 0.25 0.00 0.00 1.25 4.81 -0.71 0.20 114.58 120.38 1iqo h GLU 85 Ca 0.04 0.00 -0.25 0.00 -0.13 0.00 0.00 59.36 59.02 1iqo h GLU 85 Cb 0.51 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.85 1iqo h GLU 85 CO 0.03 0.58 -1.60 0.78 -0.73 0.00 0.00 179.01 178.07 1iqo h GLY 86 N 1.75 0.00 1.36 1.92 0.00 -0.81 -3.36 103.07 103.93 1iqo h GLY 86 Ca -0.01 0.00 -0.28 0.00 0.00 0.00 0.00 47.33 47.04 1iqo h GLY 86 CO 0.08 0.00 -1.44 0.84 0.00 0.00 0.00 176.54 176.01 1iqo h HIS 87 N 0.00 0.29 -0.00 5.60 -0.00 -0.37 -3.51 115.15 117.15 1iqo h HIS 87 Ca -0.24 -0.21 0.00 0.00 -0.00 0.00 0.00 60.37 59.92 1iqo h HIS 87 Cb 1.89 -0.01 0.00 0.00 -0.00 0.00 0.00 27.41 29.29 1iqo h HIS 87 CO 0.00 1.24 0.00 1.28 -0.00 0.00 0.00 177.93 180.45