#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 3.70 -0.51 -1.77 0.08 -1.26 -5.01 117.98 113.21 1iqo s PHE 2 Ca 0.00 1.70 -0.13 0.00 0.12 0.00 0.00 56.93 58.62 1iqo s PHE 2 Cb 0.00 -3.18 0.12 0.00 -0.57 0.00 0.00 43.02 39.39 1iqo s PHE 2 CO 0.00 -0.26 0.43 -1.50 -0.10 0.00 0.00 175.22 173.79 1iqo s ILE 3 N -0.36 4.80 -0.10 0.64 2.07 -1.26 -5.06 121.20 121.93 1iqo s ILE 3 Ca 0.47 -1.57 -0.01 0.00 -1.41 0.00 0.00 60.65 58.13 1iqo s ILE 3 Cb -0.28 -4.09 -0.03 0.00 0.13 0.00 0.00 42.46 38.20 1iqo s ILE 3 CO 0.34 -0.80 -0.07 0.00 -1.91 0.00 0.00 174.94 172.50 1iqo s ALA 4 N 1.51 2.95 0.35 1.50 0.00 -1.26 -5.12 121.76 121.68 1iqo s ALA 4 Ca 0.04 -0.86 0.07 0.00 0.00 0.00 0.00 51.96 51.21 1iqo s ALA 4 Cb -0.28 -1.34 -0.01 0.00 0.00 0.00 0.00 23.12 21.49 1iqo s ALA 4 CO 0.02 0.42 0.44 0.95 0.00 0.00 0.00 175.76 177.59 1iqo s THR 5 N -0.28 3.73 -0.30 0.00 -4.23 -1.26 -5.07 115.64 108.23 1iqo s THR 5 Ca 0.04 -1.09 -0.16 0.00 -1.18 0.00 0.00 61.69 59.30 1iqo s THR 5 Cb -0.13 -3.28 -0.02 0.00 1.34 0.00 0.00 72.50 70.41 1iqo s THR 5 CO 0.02 -0.13 0.43 -0.76 -0.54 0.00 0.00 174.62 173.64 1iqo s LEU 6 N -4.16 4.17 -0.26 4.79 1.02 -1.13 -4.94 118.68 118.17 1iqo s LEU 6 Ca 0.46 0.18 -0.03 0.00 0.02 0.00 0.00 54.13 54.76 1iqo s LEU 6 Cb -0.08 -2.49 0.02 0.00 0.02 0.00 0.00 46.19 43.65 1iqo s LEU 6 CO 0.30 -0.29 -0.03 -0.54 0.02 0.00 0.00 176.35 175.81 1iqo s LYS 7 N 2.18 2.94 -0.39 1.70 1.02 -1.26 0.17 119.74 126.09 1iqo s LYS 7 Ca 0.16 -0.92 -0.02 0.00 0.02 0.00 0.00 55.97 55.21 1iqo s LYS 7 Cb -0.16 -3.07 0.10 0.00 -0.52 0.00 0.00 37.83 34.19 1iqo s LYS 7 CO 0.11 -0.39 0.17 0.20 -0.92 0.00 0.00 175.35 174.52 1iqo s GLY 8 N 1.37 1.96 -1.31 -3.33 0.00 -0.25 -5.02 107.32 100.75 1iqo s GLY 8 Ca 0.01 -2.45 -0.15 0.00 0.00 0.00 0.00 44.72 42.13 1iqo s GLY 8 CO -0.03 0.98 1.79 1.39 0.00 0.00 0.00 173.10 177.23 1iqo n ILE 9 N 4.57 3.95 -2.33 0.90 -0.00 -1.26 -3.01 119.36 122.19 1iqo n ILE 9 Ca -0.03 -4.05 -0.42 0.00 -0.00 0.00 0.00 62.75 58.25 1iqo n ILE 9 Cb 0.42 -2.43 -0.03 0.00 -0.00 0.00 0.00 39.64 37.60 1iqo n ILE 9 CO 0.00 0.00 0.00 -0.36 -0.00 0.00 0.00 176.55 176.19 1iqo s PHE 10 N 3.06 3.17 0.13 1.39 0.08 -0.52 -4.94 117.98 120.34 1iqo s PHE 10 Ca 0.49 1.08 -0.09 0.00 0.12 0.00 0.00 56.93 58.52 1iqo s PHE 10 Cb 0.05 -3.54 -0.00 0.00 -0.57 0.00 0.00 43.02 38.96 1iqo s PHE 10 CO 0.02 -1.82 0.25 0.95 -0.10 0.00 0.00 175.22 174.52 1iqo s THR 11 N 1.75 0.10 0.45 0.64 -4.23 -1.26 0.84 115.64 113.93 1iqo s THR 11 Ca 0.61 -1.27 0.00 0.00 -1.18 0.00 0.00 61.69 59.84 1iqo s THR 11 Cb -0.30 -1.61 0.00 0.00 1.34 0.00 0.00 72.50 71.93 1iqo s THR 11 CO 0.27 -0.45 0.00 0.18 -0.54 0.00 0.00 174.62 174.08 1iqo n LEU 12 N -0.15 -0.78 0.31 4.79 4.32 -1.15 -0.13 117.00 124.21 1iqo n LEU 12 Ca -0.11 1.76 0.17 0.00 -0.02 0.00 0.00 56.01 57.82 1iqo n LEU 12 Cb 0.63 -2.64 0.93 0.00 -1.62 0.00 0.00 43.42 40.71 1iqo n LEU 12 CO 0.23 -1.45 1.11 0.11 -1.22 0.00 0.00 177.39 176.16 1iqo h LYS 13 N -1.22 0.00 -0.40 3.23 1.79 -1.84 0.79 116.57 118.92 1iqo h LYS 13 Ca -0.13 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.34 1iqo h LYS 13 Cb 0.97 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.62 1iqo h LYS 13 CO 0.05 0.00 0.00 -0.40 -1.08 0.00 0.00 179.45 178.02 1iqo n ASP 14 N -2.86 2.01 -0.43 0.86 5.68 -1.25 -4.45 116.55 116.11 1iqo n ASP 14 Ca -0.02 -2.05 0.36 0.00 -0.50 0.00 0.00 54.79 52.58 1iqo n ASP 14 Cb 0.23 -0.27 0.67 0.00 -1.14 0.00 0.00 41.12 40.61 1iqo n ASP 14 CO 0.00 0.00 0.00 0.17 -1.33 0.00 0.00 177.20 176.04 1iqo h LEU 15 N 2.02 0.19 -4.91 -2.12 -0.00 0.41 -3.10 115.31 107.79 1iqo h LEU 15 Ca 0.00 0.07 -0.16 0.00 -0.00 0.00 0.00 57.88 57.79 1iqo h LEU 15 Cb 0.55 0.05 -0.02 0.00 -0.00 0.00 0.00 40.66 41.24 1iqo h LEU 15 CO 0.03 -0.05 0.88 -2.65 -0.00 0.00 0.00 178.44 176.65 1iqo n PRO 16 N -4.43 1.16 -1.19 0.17 -0.02 -1.26 -4.57 135.00 124.85 1iqo n PRO 16 Ca 0.33 -0.73 -0.31 0.00 -2.02 0.00 0.00 63.50 60.77 1iqo n PRO 16 Cb 1.35 -1.95 -0.11 0.00 -0.02 0.00 0.00 33.50 32.78 1iqo n PRO 16 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 1iqo n GLU 17 N 3.35 0.40 0.00 -0.52 0.00 -1.17 -2.14 120.64 120.56 1iqo n GLU 17 Ca 0.25 -1.56 0.00 0.00 0.00 0.00 0.00 57.16 55.85 1iqo n GLU 17 Cb 0.30 -3.27 0.00 0.00 0.00 0.00 0.00 31.44 28.47 1iqo n GLU 17 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 1iqo n GLU 18 N 7.98 0.00 0.01 5.31 1.02 -1.26 -5.03 120.64 128.66 1iqo n GLU 18 Ca 0.45 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.59 1iqo n GLU 18 Cb 0.44 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.86 1iqo n GLU 18 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1iqo n PHE 19 N 0.00 -1.26 -3.15 -0.32 7.35 -0.91 -5.12 117.46 114.05 1iqo n PHE 19 Ca 0.00 0.04 0.05 0.00 -0.76 0.00 0.00 57.45 56.79 1iqo n PHE 19 Cb 0.00 0.33 -0.00 0.00 0.35 0.00 0.00 39.48 40.16 1iqo n PHE 19 CO 0.00 0.00 0.00 0.50 -0.76 0.00 0.00 176.76 176.50 1iqo s ARG 20 N -1.05 0.16 0.00 -4.13 3.52 -1.26 -4.90 118.95 111.28 1iqo s ARG 20 Ca 0.00 0.19 0.00 0.00 -0.13 0.00 0.00 55.73 55.79 1iqo s ARG 20 Cb 0.00 0.09 0.00 0.00 -1.56 0.00 0.00 34.95 33.48 1iqo s ARG 20 CO 0.00 -0.26 0.00 -0.35 -0.81 0.00 0.00 175.30 173.88 1iqo n PRO 21 N 5.22 -0.21 0.05 5.12 -0.04 -1.26 -4.96 135.00 138.92 1iqo n PRO 21 Ca 0.05 0.00 -0.21 0.00 -0.04 0.00 0.00 63.50 63.30 1iqo n PRO 21 Cb 0.57 0.00 -0.15 0.00 -0.04 0.00 0.00 33.50 33.88 1iqo n PRO 21 CO 0.00 0.00 0.00 0.74 -0.04 0.00 0.00 175.50 176.20 1iqo h PHE 22 N -1.08 0.57 0.00 0.54 0.04 -2.03 -3.28 116.94 111.70 1iqo h PHE 22 Ca 0.00 -0.42 0.00 0.00 2.80 0.00 0.00 57.97 60.35 1iqo h PHE 22 Cb 0.00 -0.02 0.00 0.00 2.20 0.00 0.00 35.95 38.13 1iqo h PHE 22 CO 0.00 1.39 0.18 -0.24 -0.60 0.00 0.00 178.31 179.04 1iqo h VAL 23 N -0.30 0.00 -0.58 -0.55 3.04 -2.01 -2.93 116.25 112.93 1iqo h VAL 23 Ca -0.19 0.00 0.11 0.00 -1.01 0.00 0.00 66.70 65.60 1iqo h VAL 23 Cb 1.73 0.67 -0.11 0.00 -2.01 0.00 0.00 31.29 31.57 1iqo h VAL 23 CO 0.15 0.00 -0.31 -0.78 -1.01 0.00 0.00 177.57 175.61 1iqo h ASP 24 N 0.00 -1.08 -0.47 3.17 1.82 -1.93 0.49 116.42 118.42 1iqo h ASP 24 Ca 0.00 0.22 0.14 0.00 -0.39 0.00 0.00 57.03 57.00 1iqo h ASP 24 Cb 0.35 0.55 -0.02 0.00 0.68 0.00 0.00 39.33 40.89 1iqo h ASP 24 CO 0.00 -0.30 0.37 0.10 -1.61 0.00 0.00 179.24 177.80 1iqo h TYR 25 N -0.15 0.00 0.00 0.28 -0.00 -1.78 0.56 116.97 115.88 1iqo h TYR 25 Ca 0.24 0.00 -0.03 0.00 0.00 0.00 0.00 58.73 58.93 1iqo h TYR 25 Cb 0.54 0.00 -0.00 0.00 0.00 0.00 0.00 36.73 37.27 1iqo h TYR 25 CO -0.61 0.00 -0.15 -0.22 -0.00 0.00 0.00 178.16 177.18 1iqo h LYS 26 N 0.00 0.00 0.00 0.10 3.64 -0.22 1.10 116.57 121.19 1iqo h LYS 26 Ca 0.22 0.00 -0.11 0.00 -1.27 0.00 0.00 60.65 59.49 1iqo h LYS 26 Cb 0.95 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.76 1iqo h LYS 26 CO -0.00 0.15 -0.55 0.00 -2.27 0.00 0.00 179.45 176.78 1iqo h ALA 27 N 1.85 0.82 -0.11 5.00 0.00 0.59 -3.36 119.26 124.05 1iqo h ALA 27 Ca -0.00 -0.50 -0.19 0.00 0.00 0.00 0.00 54.91 54.22 1iqo h ALA 27 Cb 0.72 -0.09 -0.37 0.00 0.00 0.00 0.00 17.79 18.05 1iqo h ALA 27 CO 0.02 0.68 -0.99 0.41 0.00 0.00 0.00 179.25 179.37 1iqo n GLY 28 N 0.62 1.19 0.34 0.00 0.00 -1.05 -4.38 105.19 101.92 1iqo n GLY 28 Ca 0.00 -0.83 0.18 0.00 0.00 0.00 0.00 46.02 45.37 1iqo n GLY 28 CO 0.00 0.00 0.00 0.17 0.00 0.00 0.00 173.32 173.49 1iqo h LEU 29 N 1.35 0.00 0.00 0.99 -0.00 0.11 -3.34 115.31 114.41 1iqo h LEU 29 Ca -0.24 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.64 1iqo h LEU 29 Cb 1.69 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 42.35 1iqo h LEU 29 CO 0.09 0.00 0.00 1.21 -0.00 0.00 0.00 178.44 179.74 1iqo n GLU 30 N -3.39 0.00 -3.71 0.17 2.13 -1.26 -4.97 120.64 109.62 1iqo n GLU 30 Ca 0.01 0.00 -0.25 0.00 0.66 0.00 0.00 57.16 57.58 1iqo n GLU 30 Cb 0.35 0.00 0.06 0.00 0.27 0.00 0.00 31.44 32.11 1iqo n GLU 30 CO 0.00 0.00 0.00 1.17 -0.41 0.00 0.00 177.13 177.89 1iqo n LYS 31 N 0.00 -6.55 0.03 5.31 0.00 -1.26 -4.94 118.16 110.76 1iqo n LYS 31 Ca 0.00 0.72 -0.02 0.00 0.00 0.00 0.00 58.31 59.01 1iqo n LYS 31 Cb 0.00 -5.65 -0.01 0.00 0.00 0.00 0.00 35.03 29.37 1iqo n LYS 31 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.40 177.18 1iqo h LYS 32 N -2.29 -0.11 -3.09 1.64 3.64 -1.89 -3.48 116.57 110.98 1iqo h LYS 32 Ca -0.58 0.01 -0.15 0.00 -1.27 0.00 0.00 60.65 58.65 1iqo h LYS 32 Cb 1.37 0.03 -0.24 0.00 -0.41 0.00 0.00 32.23 32.97 1iqo h LYS 32 CO 0.59 -0.08 -0.39 -1.59 -2.27 0.00 0.00 179.45 175.72 1iqo s LYS 33 N -1.84 0.37 0.29 1.90 0.00 -1.26 -5.14 119.74 114.06 1iqo s LYS 33 Ca -0.02 0.27 0.06 0.00 0.00 0.00 0.00 55.97 56.28 1iqo s LYS 33 Cb 0.00 0.17 -0.02 0.00 0.00 0.00 0.00 37.83 37.99 1iqo s LYS 33 CO 0.05 -0.06 0.38 -0.51 0.00 0.00 0.00 175.35 175.21 1iqo s LEU 34 N -0.12 4.04 0.00 2.77 2.01 -1.26 -4.60 118.68 121.52 1iqo s LEU 34 Ca -0.02 -0.14 0.00 0.00 0.01 0.00 0.00 54.13 53.98 1iqo s LEU 34 Cb -0.03 -2.69 0.00 0.00 0.01 0.00 0.00 46.19 43.48 1iqo s LEU 34 CO 0.01 -0.25 0.00 -1.20 1.01 0.00 0.00 176.35 175.92 1iqo n SER 35 N -1.48 0.00 0.00 2.29 7.64 -1.26 -4.58 113.62 116.23 1iqo n SER 35 Ca -0.04 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.84 1iqo n SER 35 Cb 0.58 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.78 1iqo n SER 35 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1iqo n ASP 36 N 0.00 0.00 -0.29 6.43 2.03 -1.26 -0.62 116.55 122.84 1iqo n ASP 36 Ca 0.00 0.00 0.03 0.00 0.52 0.00 0.00 54.79 55.34 1iqo n ASP 36 Cb 0.00 0.00 0.05 0.00 -0.72 0.00 0.00 41.12 40.45 1iqo n ASP 36 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 1iqo n ASP 37 N 0.59 1.83 -2.65 1.67 2.03 -1.26 -4.28 116.55 114.50 1iqo n ASP 37 Ca 0.00 -1.49 -0.09 0.00 0.52 0.00 0.00 54.79 53.73 1iqo n ASP 37 Cb 0.00 -0.04 0.06 0.00 -0.72 0.00 0.00 41.12 40.42 1iqo n ASP 37 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 1iqo n ASP 38 N 0.28 0.09 -3.49 1.67 -0.08 0.21 -4.91 116.55 110.31 1iqo n ASP 38 Ca 0.05 -1.19 -0.16 0.00 -1.51 0.00 0.00 54.79 51.98 1iqo n ASP 38 Cb 0.22 -0.31 -0.05 0.00 2.34 0.00 0.00 41.12 43.32 1iqo n ASP 38 CO 0.00 0.00 0.00 -1.61 0.12 0.00 0.00 177.20 175.71 1iqo s GLU 39 N -3.85 1.12 -0.03 -0.67 2.02 -1.20 -2.91 118.70 113.18 1iqo s GLU 39 Ca 0.24 0.04 0.01 0.00 0.02 0.00 0.00 54.97 55.28 1iqo s GLU 39 Cb -0.01 0.53 0.02 0.00 0.10 0.00 0.00 34.13 34.77 1iqo s GLU 39 CO 0.17 -0.40 -0.03 0.42 0.02 0.00 0.00 175.26 175.44 1iqo s ILE 40 N -1.96 0.36 -0.23 -1.63 -1.09 0.25 -2.44 121.20 114.47 1iqo s ILE 40 Ca -0.07 -0.06 0.01 0.00 -2.23 0.00 0.00 60.65 58.29 1iqo s ILE 40 Cb -0.00 -0.39 0.03 0.00 -1.58 0.00 0.00 42.46 40.52 1iqo s ILE 40 CO 0.03 0.17 -0.12 0.00 -1.23 0.00 0.00 174.94 173.78 1iqo s ALA 41 N 0.72 2.53 -0.02 9.38 0.00 -0.48 -1.44 121.76 132.46 1iqo s ALA 41 Ca -0.08 -1.45 0.03 0.00 0.00 0.00 0.00 51.96 50.45 1iqo s ALA 41 Cb -0.11 -1.48 -0.00 0.00 0.00 0.00 0.00 23.12 21.53 1iqo s ALA 41 CO -0.01 -0.74 -0.09 0.42 0.00 0.00 0.00 175.76 175.34 1iqo s ILE 42 N 1.25 0.76 -0.00 0.00 1.01 -1.16 -0.85 121.20 122.21 1iqo s ILE 42 Ca -0.00 -0.37 0.00 0.00 0.00 0.00 0.00 60.65 60.28 1iqo s ILE 42 Cb -0.16 -0.67 0.00 0.00 0.01 0.00 0.00 42.46 41.64 1iqo s ILE 42 CO -0.08 0.23 -0.00 -0.63 0.00 0.00 0.00 174.94 174.46 1iqo s ILE 43 N 0.05 0.03 -0.12 2.92 1.09 -1.15 -1.09 121.20 122.93 1iqo s ILE 43 Ca -0.01 -0.01 -0.16 0.00 -1.10 0.00 0.00 60.65 59.37 1iqo s ILE 43 Cb -0.07 -0.04 -0.04 0.00 -1.06 0.00 0.00 42.46 41.25 1iqo s ILE 43 CO 0.00 0.01 0.40 -0.55 -0.10 0.00 0.00 174.94 174.70 1iqo s SER 44 N 0.02 6.61 -0.05 3.58 0.15 0.13 -2.47 113.70 121.66 1iqo s SER 44 Ca -0.00 0.72 -0.02 0.00 0.70 0.00 0.00 55.95 57.34 1iqo s SER 44 Cb -0.00 -2.24 -0.01 0.00 -1.71 0.00 0.00 66.02 62.05 1iqo s SER 44 CO -0.00 0.07 -0.05 0.40 1.20 0.00 0.00 173.24 174.86 1iqo h ILE 45 N 4.60 0.00 0.00 6.45 1.08 -1.82 -2.99 117.51 124.84 1iqo h ILE 45 Ca -0.42 -0.38 -0.15 0.00 -0.39 0.00 0.00 64.86 63.52 1iqo h ILE 45 Cb 1.18 0.00 -0.03 0.00 -3.07 0.00 0.00 36.82 34.90 1iqo h ILE 45 CO 0.74 0.00 -2.07 0.29 -0.69 0.00 0.00 178.15 176.42 1iqo n LYS 46 N -3.11 0.67 0.00 2.37 4.76 -1.16 -4.84 118.16 116.84 1iqo n LYS 46 Ca -0.02 -0.08 0.00 0.00 -2.87 0.00 0.00 58.31 55.34 1iqo n LYS 46 Cb 0.07 -1.55 0.00 0.00 -1.84 0.00 0.00 35.03 31.71 1iqo n LYS 46 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1iqo n GLY 47 N 1.45 1.39 0.14 0.72 0.00 -1.20 -4.18 105.19 103.51 1iqo n GLY 47 Ca -0.15 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 45.85 1iqo n GLY 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1iqo h THR 48 N 0.00 1.23 0.00 2.61 1.03 -2.01 -3.36 112.91 112.41 1iqo h THR 48 Ca 0.00 -2.20 0.00 0.00 -0.01 0.00 0.00 66.41 64.20 1iqo h THR 48 Cb 0.00 2.26 0.00 0.00 -1.07 0.00 0.00 68.15 69.34 1iqo h THR 48 CO 0.00 0.58 -0.38 1.56 -0.01 0.00 0.00 175.52 177.28 1iqo h GLN 49 N 0.00 0.00 -1.61 0.00 1.08 -1.99 -3.51 115.11 109.08 1iqo h GLN 49 Ca -0.01 0.00 0.35 0.00 -1.45 0.00 0.00 58.65 57.55 1iqo h GLN 49 Cb 1.21 0.00 -0.10 0.00 -0.05 0.00 0.00 27.48 28.53 1iqo h GLN 49 CO 0.08 0.00 0.90 -1.54 -0.95 0.00 0.00 178.83 177.32 1iqo s SER 50 N -5.35 -0.02 0.10 1.46 1.04 -1.26 -5.06 113.70 104.62 1iqo s SER 50 Ca -0.11 -0.12 0.02 0.00 0.48 0.00 0.00 55.95 56.22 1iqo s SER 50 Cb 0.02 0.11 -0.01 0.00 0.10 0.00 0.00 66.02 66.24 1iqo s SER 50 CO 0.16 -0.22 0.07 -0.46 0.98 0.00 0.00 173.24 173.77 1iqo n ASN 51 N -0.71 0.20 -4.06 7.02 0.23 -1.26 -3.01 115.26 113.67 1iqo n ASN 51 Ca -0.04 -1.64 -0.17 0.00 -0.53 0.00 0.00 54.58 52.20 1iqo n ASN 51 Cb 0.61 0.43 -0.14 0.00 -2.08 0.00 0.00 39.78 38.60 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 -2.26 0.85 -0.13 -2.53 -3.43 -1.03 -4.92 115.29 101.83 1iqo s HIS 52 Ca 0.10 -0.28 -0.03 0.00 -0.80 0.00 0.00 55.06 54.05 1iqo s HIS 52 Cb 0.00 -0.52 -0.03 0.00 -1.43 0.00 0.00 32.58 30.60 1iqo s HIS 52 CO 0.07 -0.01 -0.02 0.08 -2.00 0.00 0.00 174.74 172.86 1iqo s VAL 53 N -0.64 4.09 -0.05 -5.38 1.01 -1.26 -2.92 120.40 115.25 1iqo s VAL 53 Ca -0.00 -0.30 0.03 0.00 0.00 0.00 0.00 61.98 61.70 1iqo s VAL 53 Cb -0.06 -2.76 0.01 0.00 0.00 0.00 0.00 36.38 33.56 1iqo s VAL 53 CO 0.00 0.53 -0.12 -0.22 0.00 0.00 0.00 175.10 175.30 1iqo s LEU 54 N -0.11 1.71 -0.10 3.92 1.98 -0.03 -5.02 118.68 121.04 1iqo s LEU 54 Ca 0.03 -0.27 -0.15 0.00 -2.89 0.00 0.00 54.13 50.85 1iqo s LEU 54 Cb -0.13 -0.75 -0.05 0.00 0.66 0.00 0.00 46.19 45.92 1iqo s LEU 54 CO 0.02 0.06 0.38 0.12 -1.89 0.00 0.00 176.35 175.05 1iqo s PHE 55 N 0.43 3.55 -0.88 5.38 5.36 -1.26 -1.38 117.98 129.19 1iqo s PHE 55 Ca -0.09 0.80 -0.01 0.00 -0.96 0.00 0.00 56.93 56.68 1iqo s PHE 55 Cb -0.13 -2.39 0.22 0.00 -0.34 0.00 0.00 43.02 40.38 1iqo s PHE 55 CO 0.02 0.34 0.79 1.28 -1.46 0.00 0.00 175.22 176.19 1iqo n LEU 56 N 3.10 4.17 0.28 6.12 4.77 -1.02 -4.84 117.00 129.57 1iqo n LEU 56 Ca -0.11 -5.16 0.12 0.00 -0.03 0.00 0.00 56.01 50.83 1iqo n LEU 56 Cb 0.52 -1.05 0.78 0.00 -2.33 0.00 0.00 43.42 41.34 1iqo n LEU 56 CO 0.40 1.61 1.09 0.77 -1.33 0.00 0.00 177.39 179.93 1iqo h SER 57 N 5.80 0.00 0.00 -1.43 4.64 -1.97 -3.18 113.55 117.41 1iqo h SER 57 Ca 0.17 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.49 1iqo h SER 57 Cb 0.79 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.88 1iqo h SER 57 CO 0.86 0.01 0.00 -0.24 -0.87 0.00 0.00 176.83 176.60 1iqo n SER 58 N -4.13 -1.84 -3.00 4.97 2.88 -1.26 -4.84 113.62 106.40 1iqo n SER 58 Ca -0.03 0.51 -0.08 0.00 -1.33 0.00 0.00 58.87 57.94 1iqo n SER 58 Cb 0.10 1.87 0.01 0.00 -0.75 0.00 0.00 64.21 65.43 1iqo n SER 58 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1iqo n TYR 59 N -3.15 -2.67 -3.67 0.66 9.36 -1.26 -4.96 117.16 111.47 1iqo n TYR 59 Ca 0.00 1.14 -0.37 0.00 3.32 0.00 0.00 57.90 62.00 1iqo n TYR 59 Cb 0.00 -2.91 -0.10 0.00 -0.63 0.00 0.00 39.34 35.70 1iqo n TYR 59 CO 0.00 0.00 0.00 0.54 0.22 0.00 0.00 176.86 177.62 1iqo s ASN 60 N -1.67 6.06 -0.21 2.98 2.20 -1.26 -5.03 114.94 118.02 1iqo s ASN 60 Ca 0.12 0.09 -0.39 0.00 -0.94 0.00 0.00 52.86 51.73 1iqo s ASN 60 Cb -0.02 -2.10 -0.16 0.00 -2.00 0.00 0.00 41.25 36.98 1iqo s ASN 60 CO 0.60 0.05 1.69 -1.20 -2.94 0.00 0.00 177.10 175.31 1iqo n SER 61 N 4.37 2.35 -0.81 3.54 7.64 -1.26 -4.68 113.62 124.76 1iqo n SER 61 Ca -0.15 1.08 -0.05 0.00 1.01 0.00 0.00 58.87 60.76 1iqo n SER 61 Cb 0.52 -1.16 -0.05 0.00 -1.01 0.00 0.00 64.21 62.51 1iqo n SER 61 CO 0.00 0.00 0.00 0.55 -3.01 0.00 0.00 175.04 172.58 1iqo n VAL 62 N 4.32 0.00 0.00 0.44 3.14 -1.26 -5.02 118.33 119.95 1iqo n VAL 62 Ca 0.25 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.63 1iqo n VAL 62 Cb 0.15 0.32 0.00 0.00 -1.06 0.00 0.00 33.84 33.25 1iqo n VAL 62 CO 0.00 0.00 0.00 -0.67 -6.46 0.00 0.00 176.83 169.70 1iqo n ASP 63 N 0.00 0.00 -0.25 6.55 2.03 -1.26 -4.35 116.55 119.26 1iqo n ASP 63 Ca -0.18 0.00 0.09 0.00 0.52 0.00 0.00 54.79 55.22 1iqo n ASP 63 Cb 0.54 0.00 0.34 0.00 -0.72 0.00 0.00 41.12 41.28 1iqo n ASP 63 CO 0.00 0.00 0.00 -0.08 -1.92 0.00 0.00 177.20 175.20 1iqo h GLU 64 N 0.00 0.76 -0.45 -0.67 4.57 -1.95 -0.07 114.58 116.77 1iqo h GLU 64 Ca 0.00 -0.05 -0.06 0.00 -1.18 0.00 0.00 59.36 58.07 1iqo h GLU 64 Cb 0.00 -0.17 -0.02 0.00 -0.16 0.00 0.00 28.75 28.40 1iqo h GLU 64 CO 0.00 0.50 0.02 -0.84 -1.18 0.00 0.00 179.01 177.51 1iqo h ILE 65 N 0.78 1.23 0.12 2.32 -0.00 -1.83 -1.83 117.51 118.30 1iqo h ILE 65 Ca 0.40 -0.92 -0.01 0.00 -0.00 0.00 0.00 64.86 64.33 1iqo h ILE 65 Cb 0.48 0.87 0.00 0.00 -0.00 0.00 0.00 36.82 38.17 1iqo h ILE 65 CO -0.16 0.33 -0.06 0.03 -0.00 0.00 0.00 178.15 178.28 1iqo h ARG 66 N 0.69 -0.15 -0.38 0.16 3.08 -1.42 -3.03 114.38 113.33 1iqo h ARG 66 Ca 0.14 0.01 0.11 0.00 0.07 0.00 0.00 59.98 60.31 1iqo h ARG 66 Cb 0.40 0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.47 1iqo h ARG 66 CO 0.01 0.28 0.29 0.87 -1.07 0.00 0.00 179.97 180.35 1iqo h LYS 67 N -0.65 0.00 -0.21 0.04 1.57 -1.15 -1.40 116.57 114.77 1iqo h LYS 67 Ca -0.02 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.73 1iqo h LYS 67 Cb 0.50 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.80 1iqo h LYS 67 CO 0.03 0.00 0.00 1.49 -0.57 0.00 0.00 179.45 180.40 1iqo h GLU 68 N 0.00 0.37 0.51 3.15 4.57 -1.24 -2.15 114.58 119.78 1iqo h GLU 68 Ca 0.18 -0.12 -0.02 0.00 -1.18 0.00 0.00 59.36 58.22 1iqo h GLU 68 Cb 0.76 -0.04 0.00 0.00 -0.16 0.00 0.00 28.75 29.31 1iqo h GLU 68 CO -0.00 0.56 -0.26 1.25 -1.18 0.00 0.00 179.01 179.38 1iqo h LEU 69 N 0.14 -0.62 -1.68 1.64 5.85 -1.15 -1.99 115.31 117.51 1iqo h LEU 69 Ca 0.06 0.02 0.33 0.00 0.84 0.00 0.00 57.88 59.13 1iqo h LEU 69 Cb 0.39 0.16 -0.08 0.00 0.37 0.00 0.00 40.66 41.51 1iqo h LEU 69 CO 0.01 -0.42 0.79 1.05 -0.34 0.00 0.00 178.44 179.53 1iqo h GLU 70 N -0.70 0.17 -0.60 1.25 4.11 -1.59 0.66 114.58 117.88 1iqo h GLU 70 Ca -0.07 -0.01 -0.04 0.00 0.07 0.00 0.00 59.36 59.31 1iqo h GLU 70 Cb 0.54 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.73 1iqo h GLU 70 CO 0.10 0.11 0.21 0.93 0.07 0.00 0.00 179.01 180.43 1iqo h GLU 71 N 0.17 0.92 -0.18 1.06 5.08 -1.02 -1.86 114.58 118.74 1iqo h GLU 71 Ca 0.61 -0.19 0.00 0.00 -1.00 0.00 0.00 59.36 58.78 1iqo h GLU 71 Cb 2.02 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 31.13 1iqo h GLU 71 CO -0.17 0.81 0.00 0.00 -1.00 0.00 0.00 179.01 178.65 1iqo n ALA 72 N -2.39 2.51 -0.09 3.43 0.00 0.21 -2.76 120.51 121.42 1iqo n ALA 72 Ca 0.03 -0.43 -0.22 0.00 0.00 0.00 0.00 53.44 52.82 1iqo n ALA 72 Cb 0.19 -1.07 -0.12 0.00 0.00 0.00 0.00 19.45 18.45 1iqo n ALA 72 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1iqo h GLY 73 N 5.25 0.04 -2.54 0.00 0.00 -0.26 -3.46 103.07 102.10 1iqo h GLY 73 Ca 0.00 -0.10 -0.09 0.00 0.00 0.00 0.00 47.33 47.14 1iqo h GLY 73 CO 0.00 0.09 -0.17 0.00 0.00 0.00 0.00 176.54 176.46 1iqo n ALA 74 N -3.35 1.36 -2.96 3.60 0.00 -1.17 -4.62 120.51 113.37 1iqo n ALA 74 Ca -0.32 -0.48 -0.23 0.00 0.00 0.00 0.00 53.44 52.42 1iqo n ALA 74 Cb 0.73 -0.44 -0.02 0.00 0.00 0.00 0.00 19.45 19.71 1iqo n ALA 74 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1iqo s LYS 75 N 0.03 3.44 -0.63 0.00 -0.14 -1.11 -4.98 119.74 116.35 1iqo s LYS 75 Ca 0.02 -0.71 -0.24 0.00 -1.36 0.00 0.00 55.97 53.68 1iqo s LYS 75 Cb 0.10 -2.91 -0.20 0.00 -1.68 0.00 0.00 37.83 33.13 1iqo s LYS 75 CO -0.03 0.46 1.86 0.44 -0.76 0.00 0.00 175.35 177.32 1iqo n ILE 76 N -1.14 1.43 -3.96 2.17 -5.35 -1.26 -4.68 119.36 106.57 1iqo n ILE 76 Ca -0.08 -1.26 0.00 0.00 -0.27 0.00 0.00 62.75 61.13 1iqo n ILE 76 Cb 0.56 -2.25 0.00 0.00 -1.74 0.00 0.00 39.64 36.21 1iqo n ILE 76 CO 0.00 0.00 0.00 -0.46 -1.76 0.00 0.00 176.55 174.33 1iqo n ASN 77 N 8.12 -0.01 -2.64 7.28 0.23 -1.26 -5.11 115.26 121.87 1iqo n ASN 77 Ca 0.49 -1.00 -0.01 0.00 -0.53 0.00 0.00 54.58 53.53 1iqo n ASN 77 Cb 0.41 0.01 -0.01 0.00 -2.08 0.00 0.00 39.78 38.12 1iqo n ASN 77 CO 0.00 0.00 0.00 1.57 -0.93 0.00 0.00 177.26 177.90 1iqo n HIS 78 N -0.01 -3.90 -3.90 -2.53 -0.00 -1.26 -4.91 115.22 98.72 1iqo n HIS 78 Ca 0.00 1.82 0.00 0.00 -0.00 0.00 0.00 57.72 59.55 1iqo n HIS 78 Cb 0.00 -3.89 0.00 0.00 -0.00 0.00 0.00 29.99 26.11 1iqo n HIS 78 CO 0.00 0.00 0.00 -2.37 -0.00 0.00 0.00 176.34 173.97 1iqo n THR 79 N 0.82 0.00 -2.18 3.57 5.66 -1.26 -4.99 114.28 115.91 1iqo n THR 79 Ca -0.07 -0.02 -0.06 0.00 -3.05 0.00 0.00 64.05 60.86 1iqo n THR 79 Cb 0.10 0.08 -0.01 0.00 -1.55 0.00 0.00 70.33 68.95 1iqo n THR 79 CO 0.00 0.00 0.00 1.07 -3.05 0.00 0.00 175.07 173.09 1iqo n THR 80 N -0.13 -0.22 -2.01 1.09 5.66 -1.26 -0.67 114.28 116.74 1iqo n THR 80 Ca 0.01 0.00 -0.09 0.00 -3.05 0.00 0.00 64.05 60.92 1iqo n THR 80 Cb 0.08 -0.79 -0.02 0.00 -1.55 0.00 0.00 70.33 68.06 1iqo n THR 80 CO 0.00 0.00 0.00 -0.11 -3.05 0.00 0.00 175.07 171.91 1iqo n LEU 81 N -2.36 -0.76 -0.05 1.09 7.94 -1.26 -4.82 117.00 116.77 1iqo n LEU 81 Ca -0.07 0.26 -0.02 0.00 -1.11 0.00 0.00 56.01 55.07 1iqo n LEU 81 Cb 0.47 -1.71 -0.02 0.00 0.53 0.00 0.00 43.42 42.70 1iqo n LEU 81 CO 0.08 -0.23 0.03 0.50 -1.11 0.00 0.00 177.39 176.67 1iqo h LYS 82 N 0.00 0.00 -0.28 1.96 1.63 -1.32 -3.02 116.57 115.55 1iqo h LYS 82 Ca -0.20 0.00 0.08 0.00 -0.85 0.00 0.00 60.65 59.68 1iqo h LYS 82 Cb 0.94 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 32.56 1iqo h LYS 82 CO 0.26 0.12 0.34 -0.84 -3.45 0.00 0.00 179.45 175.87 1iqo h ILE 83 N -1.00 0.37 -0.09 2.00 -0.00 -1.88 0.53 117.51 117.44 1iqo h ILE 83 Ca -0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 64.86 64.75 1iqo h ILE 83 Cb 0.13 0.72 0.00 0.00 -0.00 0.00 0.00 36.82 37.68 1iqo h ILE 83 CO -0.00 0.00 -0.35 -0.07 -0.00 0.00 0.00 178.15 177.72 1iqo h LEU 84 N 0.00 0.46 -0.34 0.16 4.07 -1.88 -1.01 115.31 116.77 1iqo h LEU 84 Ca 0.13 -0.63 0.00 0.00 0.08 0.00 0.00 57.88 57.46 1iqo h LEU 84 Cb 0.81 -0.14 0.00 0.00 1.08 0.00 0.00 40.66 42.41 1iqo h LEU 84 CO -0.00 1.02 0.00 -1.84 -1.08 0.00 0.00 178.44 176.54 1iqo n GLU 85 N -4.38 0.15 -0.01 1.13 0.28 0.02 -0.39 120.64 117.43 1iqo n GLU 85 Ca -0.08 0.30 -0.02 0.00 -0.16 0.00 0.00 57.16 57.20 1iqo n GLU 85 Cb 0.52 -1.74 -0.12 0.00 1.43 0.00 0.00 31.44 31.53 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 0.39 -1.10 2.71 -1.84 0.00 -0.27 -4.76 105.19 100.32 1iqo n GLY 86 Ca 0.04 -0.22 -0.07 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.79 -2.13 -0.98 1.61 1.44 -0.40 -5.08 115.22 106.89 1iqo n HIS 87 Ca -0.16 -1.68 0.00 0.00 -2.01 0.00 0.00 57.72 53.88 1iqo n HIS 87 Cb 0.91 1.49 0.00 0.00 0.12 0.00 0.00 29.99 32.51 1iqo n HIS 87 CO 0.00 0.00 0.00 -0.11 -2.81 0.00 0.00 176.34 173.42