#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 1.45 -0.30 1.47 0.08 -1.26 -5.15 117.98 114.27 1iqo s PHE 2 Ca 0.00 -0.83 -0.12 0.00 0.12 0.00 0.00 56.93 56.10 1iqo s PHE 2 Cb 0.00 -0.79 0.15 0.00 -0.57 0.00 0.00 43.02 41.81 1iqo s PHE 2 CO 0.00 0.04 0.82 -1.50 -0.10 0.00 0.00 175.22 174.48 1iqo s ILE 3 N -3.35 -0.75 -0.90 0.64 1.10 -1.26 -5.10 121.20 111.59 1iqo s ILE 3 Ca 0.23 0.00 -0.21 0.00 -0.51 0.00 0.00 60.65 60.16 1iqo s ILE 3 Cb 0.04 -1.00 0.09 0.00 0.15 0.00 0.00 42.46 41.74 1iqo s ILE 3 CO 0.05 0.00 1.19 0.00 -2.11 0.00 0.00 174.94 174.07 1iqo s ALA 4 N 2.67 3.12 -0.18 1.50 0.00 -1.26 -4.94 121.76 122.67 1iqo s ALA 4 Ca -0.04 -2.41 -0.05 0.00 0.00 0.00 0.00 51.96 49.46 1iqo s ALA 4 Cb -0.09 -4.15 0.07 0.00 0.00 0.00 0.00 23.12 18.95 1iqo s ALA 4 CO -0.18 -3.13 0.14 0.95 0.00 0.00 0.00 175.76 173.54 1iqo s THR 5 N 3.66 -0.17 -0.01 0.00 -4.23 -1.26 -2.99 115.64 110.64 1iqo s THR 5 Ca 0.34 -0.15 -0.03 0.00 -1.18 0.00 0.00 61.69 60.67 1iqo s THR 5 Cb -0.06 -0.61 -0.00 0.00 1.34 0.00 0.00 72.50 73.17 1iqo s THR 5 CO -0.05 -0.26 0.07 -0.22 -0.54 0.00 0.00 174.62 173.62 1iqo s LEU 6 N 2.20 1.80 -0.46 4.79 1.98 -1.18 -5.07 118.68 122.75 1iqo s LEU 6 Ca 0.04 -0.14 0.04 0.00 -2.89 0.00 0.00 54.13 51.18 1iqo s LEU 6 Cb -0.16 0.35 0.12 0.00 0.66 0.00 0.00 46.19 47.17 1iqo s LEU 6 CO -0.10 -0.21 0.19 -1.59 -1.89 0.00 0.00 176.35 172.75 1iqo s LYS 7 N -0.84 1.82 0.67 1.98 -2.85 -1.26 -2.48 119.74 116.79 1iqo s LYS 7 Ca -0.09 -2.39 -0.17 0.00 -1.00 0.00 0.00 55.97 52.32 1iqo s LYS 7 Cb -0.06 -3.29 -0.01 0.00 -2.06 0.00 0.00 37.83 32.42 1iqo s LYS 7 CO 0.00 -1.06 1.05 0.41 0.10 0.00 0.00 175.35 175.85 1iqo n GLY 8 N 3.47 -0.16 3.04 0.59 0.00 0.19 -4.79 105.19 107.52 1iqo n GLY 8 Ca 0.05 -0.24 -0.32 0.00 0.00 0.00 0.00 46.02 45.51 1iqo n GLY 8 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1iqo s ILE 9 N -1.63 1.91 -0.32 -0.61 1.01 -1.26 -2.37 121.20 117.93 1iqo s ILE 9 Ca 0.77 -1.26 -0.07 0.00 0.00 0.00 0.00 60.65 60.08 1iqo s ILE 9 Cb -0.37 -1.97 0.02 0.00 0.01 0.00 0.00 42.46 40.15 1iqo s ILE 9 CO 0.47 0.13 0.11 -0.36 0.00 0.00 0.00 174.94 175.29 1iqo s PHE 10 N 1.26 3.20 -0.26 3.97 0.40 0.43 -4.74 117.98 122.24 1iqo s PHE 10 Ca -0.04 -1.14 -0.09 0.00 -0.60 0.00 0.00 56.93 55.07 1iqo s PHE 10 Cb -0.17 -2.29 -0.04 0.00 0.51 0.00 0.00 43.02 41.02 1iqo s PHE 10 CO -0.08 -0.64 0.13 0.95 0.70 0.00 0.00 175.22 176.29 1iqo s THR 11 N 1.47 4.88 0.52 0.64 -4.23 -1.26 -1.72 115.64 115.94 1iqo s THR 11 Ca 0.01 0.02 0.00 0.00 -1.18 0.00 0.00 61.69 60.54 1iqo s THR 11 Cb -0.18 -3.30 0.00 0.00 1.34 0.00 0.00 72.50 70.35 1iqo s THR 11 CO 0.03 0.30 0.00 -0.11 -0.54 0.00 0.00 174.62 174.30 1iqo n LEU 12 N 4.92 -2.59 0.03 4.79 0.00 -1.00 -2.74 117.00 120.41 1iqo n LEU 12 Ca -0.15 3.13 0.22 0.00 0.00 0.00 0.00 56.01 59.21 1iqo n LEU 12 Cb 0.52 -3.24 0.68 0.00 0.00 0.00 0.00 43.42 41.37 1iqo n LEU 12 CO 0.32 0.35 1.20 0.11 0.00 0.00 0.00 177.39 179.37 1iqo h LYS 13 N 1.88 0.00 -0.31 1.96 6.56 -1.79 0.10 116.57 124.98 1iqo h LYS 13 Ca 0.00 0.00 -0.01 0.00 -1.06 0.00 0.00 60.65 59.58 1iqo h LYS 13 Cb 0.00 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 31.65 1iqo h LYS 13 CO 0.00 0.00 0.14 -0.44 -2.06 0.00 0.00 179.45 177.09 1iqo h ASP 14 N 0.00 0.41 -3.63 0.86 5.19 -1.87 -3.40 116.42 113.97 1iqo h ASP 14 Ca 0.25 -0.13 -0.57 0.00 -0.62 0.00 0.00 57.03 55.97 1iqo h ASP 14 Cb 1.49 -0.10 -0.07 0.00 0.18 0.00 0.00 39.33 40.82 1iqo h ASP 14 CO -0.00 0.43 0.89 -0.22 -3.12 0.00 0.00 179.24 177.21 1iqo s LEU 15 N -9.89 3.71 -0.52 1.55 0.20 0.36 -4.92 118.68 109.18 1iqo s LEU 15 Ca -0.13 0.56 -0.03 0.00 0.69 0.00 0.00 54.13 55.22 1iqo s LEU 15 Cb 0.09 -3.53 0.18 0.00 -0.43 0.00 0.00 46.19 42.50 1iqo s LEU 15 CO 0.73 -1.17 2.42 -0.81 -0.29 0.00 0.00 176.35 177.23 1iqo n PRO 16 N 7.61 2.37 0.00 0.98 -0.04 -1.26 -4.31 135.00 140.35 1iqo n PRO 16 Ca 0.12 -2.48 0.00 0.00 -0.04 0.00 0.00 63.50 61.09 1iqo n PRO 16 Cb 0.49 -2.07 0.00 0.00 -0.04 0.00 0.00 33.50 31.87 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 0.34 0.00 0.00 0.54 4.07 -1.26 -2.34 120.64 121.99 1iqo n GLU 17 Ca 0.47 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.57 1iqo n GLU 17 Cb 0.51 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.89 1iqo n GLU 17 CO 0.00 0.00 0.00 -1.91 -0.06 0.00 0.00 177.13 175.16 1iqo n GLU 18 N 0.00 0.00 -2.95 5.31 4.07 -1.26 -5.06 120.64 120.75 1iqo n GLU 18 Ca 0.00 0.00 0.02 0.00 -0.06 0.00 0.00 57.16 57.12 1iqo n GLU 18 Cb 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.38 1iqo n GLU 18 CO 0.00 0.00 0.00 0.12 -0.06 0.00 0.00 177.13 177.19 1iqo s PHE 19 N -0.75 -0.81 -0.05 4.31 5.36 -0.99 -5.09 117.98 119.97 1iqo s PHE 19 Ca 0.00 0.18 -0.04 0.00 -0.96 0.00 0.00 56.93 56.11 1iqo s PHE 19 Cb 0.00 0.15 0.01 0.00 -0.34 0.00 0.00 43.02 42.84 1iqo s PHE 19 CO 0.00 -0.53 0.07 -2.13 -1.46 0.00 0.00 175.22 171.17 1iqo n ARG 20 N 4.13 -3.94 -3.50 10.12 0.63 -1.25 -5.00 116.66 117.86 1iqo n ARG 20 Ca 0.07 2.91 -0.24 0.00 -0.92 0.00 0.00 57.85 59.68 1iqo n ARG 20 Cb 0.61 -3.87 -0.02 0.00 0.45 0.00 0.00 32.46 29.63 1iqo n ARG 20 CO 0.00 0.00 0.00 -1.25 -2.51 0.00 0.00 177.63 173.87 1iqo s PRO 21 N -0.48 3.49 0.00 -0.14 0.04 -1.26 -4.99 135.00 131.67 1iqo s PRO 21 Ca -0.09 -0.38 0.14 0.00 0.04 0.00 0.00 61.00 60.72 1iqo s PRO 21 Cb 0.01 -2.71 0.44 0.00 0.04 0.00 0.00 34.50 32.27 1iqo s PRO 21 CO 0.23 0.22 1.35 1.19 0.04 0.00 0.00 177.00 180.03 1iqo n PHE 22 N -1.54 0.39 -0.01 0.56 3.72 -1.26 -3.62 117.46 115.69 1iqo n PHE 22 Ca -0.05 -0.20 0.11 0.00 -0.05 0.00 0.00 57.45 57.26 1iqo n PHE 22 Cb 0.56 0.00 -0.17 0.00 -0.94 0.00 0.00 39.48 38.93 1iqo n PHE 22 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 176.76 176.99 1iqo n VAL 23 N 0.46 0.00 -0.39 -4.37 0.31 -1.26 -4.45 118.33 108.63 1iqo n VAL 23 Ca 0.13 -0.50 0.30 0.00 -0.01 0.00 0.00 64.34 64.27 1iqo n VAL 23 Cb 0.30 0.00 0.58 0.00 -0.91 0.00 0.00 33.84 33.82 1iqo n VAL 23 CO 0.00 0.00 0.00 -0.78 -1.32 0.00 0.00 176.83 174.73 1iqo h ASP 24 N 0.00 0.34 -0.31 4.52 3.58 -1.98 0.30 116.42 122.88 1iqo h ASP 24 Ca -0.00 0.13 -0.01 0.00 0.42 0.00 0.00 57.03 57.57 1iqo h ASP 24 Cb 0.99 0.09 -0.01 0.00 1.72 0.00 0.00 39.33 42.12 1iqo h ASP 24 CO 0.00 -0.10 0.17 0.10 -2.88 0.00 0.00 179.24 176.53 1iqo h TYR 25 N 0.21 0.44 0.00 0.28 -0.00 -1.86 -1.52 116.97 114.52 1iqo h TYR 25 Ca 0.74 -0.01 -0.02 0.00 -0.00 0.00 0.00 58.73 59.44 1iqo h TYR 25 Cb 2.10 -0.14 -0.00 0.00 -0.00 0.00 0.00 36.73 38.69 1iqo h TYR 25 CO -0.01 0.36 -0.08 1.57 -0.00 0.00 0.00 178.16 180.01 1iqo h LYS 26 N 0.38 0.00 0.00 0.10 2.10 -0.71 1.03 116.57 119.48 1iqo h LYS 26 Ca 0.11 0.00 -0.09 0.00 -2.00 0.00 0.00 60.65 58.67 1iqo h LYS 26 Cb 0.07 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.39 1iqo h LYS 26 CO -0.02 0.08 -0.42 0.00 -2.00 0.00 0.00 179.45 177.09 1iqo h ALA 27 N 1.92 0.99 -0.33 0.07 0.00 -0.67 -3.32 119.26 117.92 1iqo h ALA 27 Ca -0.00 -0.39 -0.23 0.00 0.00 0.00 0.00 54.91 54.29 1iqo h ALA 27 Cb 0.23 -0.07 -0.40 0.00 0.00 0.00 0.00 17.79 17.56 1iqo h ALA 27 CO 0.01 0.53 -1.09 0.41 0.00 0.00 0.00 179.25 179.11 1iqo n GLY 28 N 0.25 1.73 0.00 0.00 0.00 -0.33 -3.57 105.19 103.27 1iqo n GLY 28 Ca -0.00 -1.05 0.13 0.00 0.00 0.00 0.00 46.02 45.09 1iqo n GLY 28 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 1iqo n LEU 29 N -0.34 0.00 -2.64 0.99 -0.00 0.34 -3.94 117.00 111.42 1iqo n LEU 29 Ca 0.08 0.26 -0.04 0.00 -0.00 0.00 0.00 56.01 56.31 1iqo n LEU 29 Cb 0.89 -0.26 0.11 0.00 -0.00 0.00 0.00 43.42 44.16 1iqo n LEU 29 CO 0.05 -0.04 0.56 1.21 -0.00 0.00 0.00 177.39 179.17 1iqo n GLU 30 N -1.26 1.17 -3.53 1.47 4.07 -1.26 -4.98 120.64 116.31 1iqo n GLU 30 Ca 0.13 -1.43 -0.21 0.00 -0.06 0.00 0.00 57.16 55.59 1iqo n GLU 30 Cb 0.20 0.16 0.08 0.00 -0.06 0.00 0.00 31.44 31.82 1iqo n GLU 30 CO 0.00 0.00 0.00 1.63 -0.06 0.00 0.00 177.13 178.70 1iqo n LYS 31 N -0.98 -7.18 0.22 5.31 5.02 -1.25 -4.89 118.16 114.40 1iqo n LYS 31 Ca -0.11 0.82 0.13 0.00 -2.02 0.00 0.00 58.31 57.14 1iqo n LYS 31 Cb 0.84 -5.84 0.28 0.00 -0.02 0.00 0.00 35.03 30.28 1iqo n LYS 31 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 1iqo h LYS 32 N -2.29 0.00 0.00 1.97 1.57 -1.83 -3.50 116.57 112.49 1iqo h LYS 32 Ca -0.58 0.00 0.20 0.00 -1.87 0.00 0.00 60.65 58.40 1iqo h LYS 32 Cb 1.36 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 33.62 1iqo h LYS 32 CO 0.54 0.00 -0.27 1.63 -0.57 0.00 0.00 179.45 180.78 1iqo n LYS 33 N -3.03 -1.50 -3.78 3.15 5.02 -1.23 -4.66 118.16 112.13 1iqo n LYS 33 Ca 0.03 0.99 -0.36 0.00 -2.02 0.00 0.00 58.31 56.95 1iqo n LYS 33 Cb 0.48 -1.83 -0.11 0.00 -0.02 0.00 0.00 35.03 33.54 1iqo n LYS 33 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1iqo s LEU 34 N 0.00 5.24 0.00 -0.35 1.02 -1.26 -4.73 118.68 118.60 1iqo s LEU 34 Ca 0.00 -2.13 -0.02 0.00 0.02 0.00 0.00 54.13 52.01 1iqo s LEU 34 Cb 0.00 -1.83 0.07 0.00 0.02 0.00 0.00 46.19 44.46 1iqo s LEU 34 CO 0.00 -0.52 0.50 -1.20 0.02 0.00 0.00 176.35 175.14 1iqo n SER 35 N 4.46 0.51 -0.53 2.29 7.64 -1.26 -4.98 113.62 121.76 1iqo n SER 35 Ca -0.01 -1.47 0.07 0.00 1.01 0.00 0.00 58.87 58.47 1iqo n SER 35 Cb 0.41 -0.33 0.19 0.00 -1.01 0.00 0.00 64.21 63.47 1iqo n SER 35 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 1iqo n ASP 36 N -3.04 1.80 -0.15 6.43 5.68 -1.26 -4.35 116.55 121.66 1iqo n ASP 36 Ca 0.08 -3.71 0.00 0.00 -0.50 0.00 0.00 54.79 50.65 1iqo n ASP 36 Cb 0.27 -0.51 0.00 0.00 -1.14 0.00 0.00 41.12 39.75 1iqo n ASP 36 CO 0.00 0.00 0.00 -0.67 -1.33 0.00 0.00 177.20 175.20 1iqo n ASP 37 N -1.13 0.07 -4.86 -1.12 2.03 -1.26 -5.01 116.55 105.27 1iqo n ASP 37 Ca 0.18 -1.34 -0.37 0.00 0.52 0.00 0.00 54.79 53.78 1iqo n ASP 37 Cb 0.69 -0.06 -0.06 0.00 -0.72 0.00 0.00 41.12 40.96 1iqo n ASP 37 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1iqo s ASP 38 N -0.35 6.34 -0.01 1.67 2.15 -1.26 -4.91 116.67 120.30 1iqo s ASP 38 Ca 0.00 0.43 0.00 0.00 0.43 0.00 0.00 52.55 53.42 1iqo s ASP 38 Cb 0.00 -2.06 0.01 0.00 -0.30 0.00 0.00 42.92 40.58 1iqo s ASP 38 CO 0.00 0.38 0.00 -0.70 -0.17 0.00 0.00 175.17 174.69 1iqo s GLU 39 N -0.87 0.09 0.01 4.34 2.12 -1.18 -2.37 118.70 120.84 1iqo s GLU 39 Ca 0.14 0.05 0.06 0.00 0.36 0.00 0.00 54.97 55.59 1iqo s GLU 39 Cb -0.12 -0.21 -0.02 0.00 0.26 0.00 0.00 34.13 34.04 1iqo s GLU 39 CO 0.03 -0.06 -0.20 0.42 -0.54 0.00 0.00 175.26 174.91 1iqo s ILE 40 N 0.49 1.57 -0.15 -3.70 -1.09 -0.70 -1.46 121.20 116.16 1iqo s ILE 40 Ca -0.04 -0.99 -0.02 0.00 -2.23 0.00 0.00 60.65 57.38 1iqo s ILE 40 Cb -0.07 -1.33 0.04 0.00 -1.58 0.00 0.00 42.46 39.53 1iqo s ILE 40 CO -0.01 0.32 -0.01 0.00 -1.23 0.00 0.00 174.94 174.01 1iqo s ALA 41 N -0.61 1.09 -0.30 9.38 0.00 -0.61 -0.43 121.76 130.26 1iqo s ALA 41 Ca 0.07 -0.57 -0.13 0.00 0.00 0.00 0.00 51.96 51.33 1iqo s ALA 41 Cb -0.08 -1.02 -0.03 0.00 0.00 0.00 0.00 23.12 21.98 1iqo s ALA 41 CO 0.00 -0.81 0.29 0.42 0.00 0.00 0.00 175.76 175.67 1iqo s ILE 42 N 1.81 5.23 -0.46 0.00 1.01 -1.00 -1.14 121.20 126.66 1iqo s ILE 42 Ca 0.02 0.18 -0.03 0.00 0.00 0.00 0.00 60.65 60.82 1iqo s ILE 42 Cb -0.15 -3.68 0.12 0.00 0.01 0.00 0.00 42.46 38.76 1iqo s ILE 42 CO -0.07 0.10 0.26 -0.63 0.00 0.00 0.00 174.94 174.59 1iqo s ILE 43 N 1.90 3.37 0.12 2.92 1.01 -1.04 0.55 121.20 130.03 1iqo s ILE 43 Ca 0.10 -2.27 0.04 0.00 0.00 0.00 0.00 60.65 58.52 1iqo s ILE 43 Cb -0.16 -3.29 -0.04 0.00 0.01 0.00 0.00 42.46 38.98 1iqo s ILE 43 CO 0.11 -0.73 0.10 -0.94 0.00 0.00 0.00 174.94 173.47 1iqo s SER 44 N 1.56 5.48 0.24 3.58 1.04 -1.04 -2.74 113.70 121.82 1iqo s SER 44 Ca 0.10 -0.08 0.05 0.00 0.48 0.00 0.00 55.95 56.51 1iqo s SER 44 Cb -0.22 -1.44 -0.02 0.00 0.10 0.00 0.00 66.02 64.44 1iqo s SER 44 CO -0.04 0.13 0.20 2.30 0.98 0.00 0.00 173.24 176.81 1iqo n ILE 45 N 0.13 0.00 -1.14 -1.02 -5.35 -1.26 -3.08 119.36 107.63 1iqo n ILE 45 Ca -0.09 -1.73 -0.24 0.00 -0.27 0.00 0.00 62.75 60.42 1iqo n ILE 45 Cb 0.53 0.87 -0.11 0.00 -1.74 0.00 0.00 39.64 39.19 1iqo n ILE 45 CO 0.00 0.00 0.00 2.29 -1.76 0.00 0.00 176.55 177.08 1iqo n LYS 46 N -0.45 2.78 -0.21 6.28 0.00 -1.16 -4.38 118.16 121.02 1iqo n LYS 46 Ca 0.05 -1.55 0.03 0.00 -0.00 0.00 0.00 58.31 56.85 1iqo n LYS 46 Cb 0.43 -2.36 0.12 0.00 -0.00 0.00 0.00 35.03 33.22 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 2.99 1.00 2.46 2.58 0.00 -1.25 -4.86 105.19 108.11 1iqo n GLY 47 Ca 0.59 -0.29 -0.19 0.00 0.00 0.00 0.00 46.02 46.13 1iqo n GLY 47 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1iqo n THR 48 N 0.22 -0.10 0.00 2.61 -2.24 -1.26 -4.55 114.28 108.96 1iqo n THR 48 Ca 0.09 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.87 1iqo n THR 48 Cb 0.37 -1.92 0.00 0.00 -2.10 0.00 0.00 70.33 66.69 1iqo n THR 48 CO 0.00 0.00 0.00 1.67 -0.57 0.00 0.00 175.07 176.17 1iqo n GLN 49 N -2.34 0.00 0.00 -0.78 7.27 -1.26 -5.15 117.38 115.12 1iqo n GLN 49 Ca -0.19 0.00 0.00 0.00 0.07 0.00 0.00 57.00 56.88 1iqo n GLN 49 Cb 0.63 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.28 1iqo n GLN 49 CO 0.00 0.00 0.00 0.45 0.07 0.00 0.00 177.06 177.58 1iqo n SER 50 N 0.00 -1.10 0.00 1.69 2.88 -1.26 -5.03 113.62 110.80 1iqo n SER 50 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1iqo n SER 50 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1iqo n SER 50 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 1iqo n ASN 51 N -0.67 0.00 -4.38 -3.46 4.05 -1.26 -3.86 115.26 105.68 1iqo n ASN 51 Ca 0.00 0.00 -0.25 0.00 0.45 0.00 0.00 54.58 54.78 1iqo n ASN 51 Cb 0.00 0.00 -0.12 0.00 1.23 0.00 0.00 39.78 40.89 1iqo n ASN 51 CO 0.00 0.00 0.00 -1.00 -3.05 0.00 0.00 177.26 173.21 1iqo s HIS 52 N 2.34 2.12 -0.28 1.20 3.76 -1.11 -5.03 115.29 118.29 1iqo s HIS 52 Ca 0.00 -0.40 0.03 0.00 -0.15 0.00 0.00 55.06 54.54 1iqo s HIS 52 Cb 0.00 -1.07 0.07 0.00 1.11 0.00 0.00 32.58 32.69 1iqo s HIS 52 CO 0.00 0.41 -0.04 0.54 -0.85 0.00 0.00 174.74 174.80 1iqo s VAL 53 N -1.66 1.99 0.08 -0.90 0.11 -1.26 -2.50 120.40 116.26 1iqo s VAL 53 Ca 0.17 -1.75 0.01 0.00 -2.93 0.00 0.00 61.98 57.49 1iqo s VAL 53 Cb -0.08 -2.26 0.01 0.00 -1.53 0.00 0.00 36.38 32.52 1iqo s VAL 53 CO 0.08 -0.26 0.11 0.18 -3.33 0.00 0.00 175.10 171.89 1iqo n LEU 54 N 4.45 0.00 -3.55 2.54 4.32 -0.29 -4.99 117.00 119.48 1iqo n LEU 54 Ca -0.07 -0.36 -0.11 0.00 -0.02 0.00 0.00 56.01 55.44 1iqo n LEU 54 Cb 0.42 -0.06 -0.05 0.00 -1.62 0.00 0.00 43.42 42.12 1iqo n LEU 54 CO 0.20 -0.53 0.70 0.72 -1.22 0.00 0.00 177.39 177.26 1iqo s PHE 55 N 0.48 -0.42 -0.31 -1.77 -0.12 -1.26 -1.58 117.98 113.01 1iqo s PHE 55 Ca 0.09 0.64 -0.07 0.00 -0.05 0.00 0.00 56.93 57.54 1iqo s PHE 55 Cb -0.01 0.46 0.02 0.00 -0.63 0.00 0.00 43.02 42.86 1iqo s PHE 55 CO 0.05 -0.43 0.09 -0.51 -0.05 0.00 0.00 175.22 174.38 1iqo s LEU 56 N -1.39 3.98 -0.18 -1.99 2.01 -0.53 -4.85 118.68 115.73 1iqo s LEU 56 Ca -0.02 -0.80 -0.18 0.00 0.01 0.00 0.00 54.13 53.14 1iqo s LEU 56 Cb -0.00 -1.89 -0.21 0.00 0.01 0.00 0.00 46.19 44.10 1iqo s LEU 56 CO 0.01 -0.23 0.27 0.77 1.01 0.00 0.00 176.35 178.19 1iqo h SER 57 N 8.24 0.11 -2.31 2.29 4.64 -1.91 -3.13 113.55 121.49 1iqo h SER 57 Ca -0.30 -0.63 -0.58 0.00 -0.47 0.00 0.00 61.79 59.81 1iqo h SER 57 Cb 1.12 -0.04 -0.39 0.00 -0.31 0.00 0.00 62.40 62.78 1iqo h SER 57 CO 0.61 1.57 -0.97 -1.54 -0.87 0.00 0.00 176.83 175.63 1iqo n SER 58 N -4.21 0.14 -4.77 4.97 3.41 -1.26 -4.86 113.62 107.03 1iqo n SER 58 Ca -0.31 -2.57 -0.39 0.00 -0.26 0.00 0.00 58.87 55.34 1iqo n SER 58 Cb 0.77 -0.60 -0.06 0.00 -0.26 0.00 0.00 64.21 64.06 1iqo n SER 58 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 175.04 174.41 1iqo s TYR 59 N -0.52 3.74 0.00 7.33 6.14 -1.26 -5.03 117.35 127.76 1iqo s TYR 59 Ca 0.33 1.32 0.00 0.00 0.64 0.00 0.00 57.07 59.36 1iqo s TYR 59 Cb 0.08 -2.65 0.00 0.00 0.42 0.00 0.00 41.96 39.81 1iqo s TYR 59 CO -0.16 0.40 0.00 0.09 0.64 0.00 0.00 175.55 176.52 1iqo n ASN 60 N 2.42 0.00 0.00 4.32 5.03 -1.26 -5.08 115.26 120.68 1iqo n ASN 60 Ca -0.06 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.39 1iqo n ASN 60 Cb 0.51 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 39.27 1iqo n ASN 60 CO 0.00 0.00 0.00 -1.54 -1.83 0.00 0.00 177.26 173.89 1iqo n SER 61 N -0.02 0.00 -4.33 6.41 3.41 -1.26 -5.17 113.62 112.66 1iqo n SER 61 Ca 0.00 0.00 -0.22 0.00 -0.26 0.00 0.00 58.87 58.39 1iqo n SER 61 Cb 0.00 0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 63.84 1iqo n SER 61 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 1iqo s VAL 62 N 0.00 1.82 0.54 -3.33 -7.23 -1.26 -5.02 120.40 105.92 1iqo s VAL 62 Ca 0.00 -1.89 0.21 0.00 -1.81 0.00 0.00 61.98 58.49 1iqo s VAL 62 Cb 0.00 -1.83 0.30 0.00 0.56 0.00 0.00 36.38 35.42 1iqo s VAL 62 CO 0.00 -0.29 2.17 -2.24 -0.31 0.00 0.00 175.10 174.43 1iqo h ASP 63 N 3.31 0.00 -0.60 4.85 3.04 -2.02 -1.74 116.42 123.25 1iqo h ASP 63 Ca -0.43 0.00 0.05 0.00 -3.24 0.00 0.00 57.03 53.42 1iqo h ASP 63 Cb 1.20 0.00 -0.05 0.00 -1.04 0.00 0.00 39.33 39.44 1iqo h ASP 63 CO 0.50 0.00 0.33 -0.08 -2.04 0.00 0.00 179.24 177.95 1iqo h GLU 64 N 0.00 0.60 0.07 4.15 4.81 -1.99 0.15 114.58 122.36 1iqo h GLU 64 Ca 0.01 -0.04 -0.25 0.00 -0.13 0.00 0.00 59.36 58.96 1iqo h GLU 64 Cb 0.06 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.30 1iqo h GLU 64 CO -0.00 0.39 -1.19 0.82 -0.73 0.00 0.00 179.01 178.30 1iqo h ILE 65 N 0.61 1.53 -0.61 2.32 1.08 -1.83 -3.01 117.51 117.60 1iqo h ILE 65 Ca 0.27 -3.17 -0.04 0.00 -0.39 0.00 0.00 64.86 61.53 1iqo h ILE 65 Cb 0.16 2.87 -0.03 0.00 -3.07 0.00 0.00 36.82 36.75 1iqo h ILE 65 CO -0.17 0.90 0.23 -0.09 -0.69 0.00 0.00 178.15 178.34 1iqo h ARG 66 N 0.04 0.92 -0.09 2.37 2.43 -0.88 -2.63 114.38 116.55 1iqo h ARG 66 Ca -0.10 -0.17 -0.13 0.00 -0.81 0.00 0.00 59.98 58.76 1iqo h ARG 66 Cb 1.90 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 31.29 1iqo h ARG 66 CO 0.17 0.79 -0.53 -0.22 -1.51 0.00 0.00 179.97 178.67 1iqo h LYS 67 N 0.86 0.26 -0.53 0.20 3.64 -0.81 -1.95 116.57 118.24 1iqo h LYS 67 Ca 0.20 -0.16 0.03 0.00 -1.27 0.00 0.00 60.65 59.45 1iqo h LYS 67 Cb 0.22 0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 32.02 1iqo h LYS 67 CO -0.01 0.73 0.31 1.49 -2.27 0.00 0.00 179.45 179.69 1iqo h GLU 68 N 0.20 0.59 -0.03 1.90 4.57 -1.33 0.13 114.58 120.61 1iqo h GLU 68 Ca 0.00 -0.04 -0.23 0.00 -1.18 0.00 0.00 59.36 57.92 1iqo h GLU 68 Cb 1.01 -0.13 0.01 0.00 -0.16 0.00 0.00 28.75 29.47 1iqo h GLU 68 CO 0.08 0.39 -0.92 1.25 -1.18 0.00 0.00 179.01 178.63 1iqo h LEU 69 N 0.60 0.68 -0.34 1.64 5.85 -1.44 -2.91 115.31 119.39 1iqo h LEU 69 Ca 0.22 -0.52 0.00 0.00 0.84 0.00 0.00 57.88 58.42 1iqo h LEU 69 Cb 0.05 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 40.85 1iqo h LEU 69 CO -0.11 1.31 0.21 -0.08 -0.34 0.00 0.00 178.44 179.44 1iqo h GLU 70 N 0.32 0.45 -0.41 1.25 4.81 -0.97 0.79 114.58 120.82 1iqo h GLU 70 Ca -0.08 -0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.09 1iqo h GLU 70 Cb 1.55 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 30.81 1iqo h GLU 70 CO 0.17 0.32 0.17 1.05 -0.73 0.00 0.00 179.01 179.99 1iqo h GLU 71 N 0.45 0.58 0.00 1.92 4.11 -0.80 -1.66 114.58 119.19 1iqo h GLU 71 Ca 0.12 -0.07 -0.09 0.00 0.07 0.00 0.00 59.36 59.39 1iqo h GLU 71 Cb -0.02 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.10 1iqo h GLU 71 CO -0.02 0.48 -0.55 0.00 0.07 0.00 0.00 179.01 178.99 1iqo h ALA 72 N 1.61 0.71 0.83 1.06 0.00 -1.17 -0.02 119.26 122.28 1iqo h ALA 72 Ca 0.14 -0.41 -0.04 0.00 0.00 0.00 0.00 54.91 54.61 1iqo h ALA 72 Cb 0.11 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 1iqo h ALA 72 CO -0.02 0.54 -0.48 0.78 0.00 0.00 0.00 179.25 180.07 1iqo h GLY 73 N 3.62 -1.35 -1.64 0.00 0.00 0.16 -3.43 103.07 100.42 1iqo h GLY 73 Ca -0.02 0.54 -0.08 0.00 0.00 0.00 0.00 47.33 47.76 1iqo h GLY 73 CO 0.05 -0.46 -0.19 0.00 0.00 0.00 0.00 176.54 175.94 1iqo n ALA 74 N -2.71 1.99 -0.33 3.60 0.00 -1.17 -4.89 120.51 117.00 1iqo n ALA 74 Ca -0.15 -0.45 0.00 0.00 0.00 0.00 0.00 53.44 52.84 1iqo n ALA 74 Cb 0.50 -0.30 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 0.00 0.00 -3.85 0.00 4.81 -1.08 -5.00 118.16 113.04 1iqo n LYS 75 Ca -0.18 0.00 -0.36 0.00 -0.87 0.00 0.00 58.31 56.89 1iqo n LYS 75 Cb 0.55 -0.33 -0.07 0.00 0.02 0.00 0.00 35.03 35.20 1iqo n LYS 75 CO 0.00 0.00 0.00 -1.50 1.17 0.00 0.00 177.40 177.07 1iqo s ILE 76 N -0.67 5.46 1.10 3.15 1.10 -0.04 -5.05 121.20 126.24 1iqo s ILE 76 Ca 0.00 0.20 -0.13 0.00 -0.51 0.00 0.00 60.65 60.20 1iqo s ILE 76 Cb 0.00 -3.41 0.24 0.00 0.15 0.00 0.00 42.46 39.45 1iqo s ILE 76 CO 0.00 0.58 1.06 0.54 -2.11 0.00 0.00 174.94 175.01 1iqo s ASN 77 N -0.70 1.72 -0.79 4.50 2.20 -1.26 -4.59 114.94 116.02 1iqo s ASN 77 Ca 0.13 1.23 0.03 0.00 -0.94 0.00 0.00 52.86 53.31 1iqo s ASN 77 Cb -0.12 -1.92 0.26 0.00 -2.00 0.00 0.00 41.25 37.47 1iqo s ASN 77 CO 0.03 -3.70 0.96 1.41 -2.94 0.00 0.00 177.10 172.85 1iqo n HIS 78 N -4.56 3.27 -3.49 1.54 8.25 -1.26 -5.05 115.22 113.92 1iqo n HIS 78 Ca 0.05 -3.70 -0.35 0.00 -0.26 0.00 0.00 57.72 53.46 1iqo n HIS 78 Cb 0.57 -0.80 -0.05 0.00 1.12 0.00 0.00 29.99 30.82 1iqo n HIS 78 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 1iqo s THR 79 N -2.48 5.01 0.00 1.59 2.01 -1.26 -4.22 115.64 116.28 1iqo s THR 79 Ca 0.36 0.56 0.00 0.00 0.31 0.00 0.00 61.69 62.92 1iqo s THR 79 Cb 0.10 -3.67 0.00 0.00 0.01 0.00 0.00 72.50 68.94 1iqo s THR 79 CO 0.01 0.24 0.00 0.35 -0.69 0.00 0.00 174.62 174.53 1iqo n THR 80 N 0.76 0.00 -1.26 -0.82 -2.24 -1.26 -4.37 114.28 105.09 1iqo n THR 80 Ca -0.06 0.00 -0.09 0.00 -2.27 0.00 0.00 64.05 61.63 1iqo n THR 80 Cb 0.52 0.00 -0.04 0.00 -2.10 0.00 0.00 70.33 68.71 1iqo n THR 80 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1iqo n LEU 81 N 0.00 -0.28 0.19 3.22 4.77 -1.26 -4.84 117.00 118.81 1iqo n LEU 81 Ca 0.00 0.22 0.08 0.00 -0.03 0.00 0.00 56.01 56.28 1iqo n LEU 81 Cb 0.00 -2.22 0.20 0.00 -2.33 0.00 0.00 43.42 39.07 1iqo n LEU 81 CO 0.00 -0.82 0.68 0.11 -1.33 0.00 0.00 177.39 176.03 1iqo h LYS 82 N 0.10 0.00 -0.04 3.23 1.57 -1.95 -3.07 116.57 116.42 1iqo h LYS 82 Ca -0.18 0.00 -0.18 0.00 -1.87 0.00 0.00 60.65 58.42 1iqo h LYS 82 Cb 0.94 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.24 1iqo h LYS 82 CO 0.26 0.25 -0.75 -0.84 -0.57 0.00 0.00 179.45 177.81 1iqo h ILE 83 N 0.00 1.43 -0.21 1.86 3.07 -1.88 -1.72 117.51 120.07 1iqo h ILE 83 Ca -0.00 -2.30 -0.07 0.00 1.55 0.00 0.00 64.86 64.04 1iqo h ILE 83 Cb 1.08 2.23 -0.00 0.00 -0.27 0.00 0.00 36.82 39.85 1iqo h ILE 83 CO 0.03 0.68 -0.16 -0.07 -1.05 0.00 0.00 178.15 177.58 1iqo h LEU 84 N 0.16 0.50 -0.21 0.16 4.07 -1.95 0.12 115.31 118.17 1iqo h LEU 84 Ca -0.03 -0.45 0.00 0.00 0.08 0.00 0.00 57.88 57.48 1iqo h LEU 84 Cb 1.32 -0.14 0.00 0.00 1.08 0.00 0.00 40.66 42.92 1iqo h LEU 84 CO 0.12 0.85 0.00 -1.84 -1.08 0.00 0.00 178.44 176.48 1iqo n GLU 85 N -4.48 0.10 -0.06 1.13 0.28 -1.17 0.97 120.64 117.42 1iqo n GLU 85 Ca -0.05 0.25 -0.08 0.00 -0.16 0.00 0.00 57.16 57.12 1iqo n GLU 85 Cb 0.38 -1.66 -0.15 0.00 1.43 0.00 0.00 31.44 31.44 1iqo n GLU 85 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1iqo n GLY 86 N 0.50 -1.01 0.08 -1.84 0.00 -0.65 -4.50 105.19 97.77 1iqo n GLY 86 Ca 0.04 -0.20 -0.08 0.00 0.00 0.00 0.00 46.02 45.78 1iqo n GLY 86 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1iqo n HIS 87 N -2.88 0.00 -0.32 1.61 1.44 0.39 -5.06 115.22 110.40 1iqo n HIS 87 Ca -0.24 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.47 1iqo n HIS 87 Cb 1.08 -0.79 0.00 0.00 0.12 0.00 0.00 29.99 30.40 1iqo n HIS 87 CO 0.00 0.00 0.00 -0.11 -2.81 0.00 0.00 176.34 173.42