#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 2.50 0.13 1.96 5.36 -1.26 -4.51 117.98 122.16 1iqo s PHE 2 Ca 0.00 0.38 0.00 0.00 -0.96 0.00 0.00 56.93 56.35 1iqo s PHE 2 Cb 0.00 -3.94 0.00 0.00 -0.34 0.00 0.00 43.02 38.74 1iqo s PHE 2 CO 0.00 -3.75 0.00 1.51 -1.46 0.00 0.00 175.22 171.52 1iqo n ILE 3 N 4.65 -6.90 -2.83 3.12 0.13 -1.26 -4.80 119.36 111.47 1iqo n ILE 3 Ca 0.15 1.83 -0.43 0.00 -1.10 0.00 0.00 62.75 63.21 1iqo n ILE 3 Cb 0.40 -3.06 -0.04 0.00 -0.84 0.00 0.00 39.64 36.10 1iqo n ILE 3 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 1iqo s ALA 4 N -0.43 3.13 -0.18 1.51 0.00 -1.26 -5.00 121.76 119.52 1iqo s ALA 4 Ca 0.00 -1.43 0.01 0.00 0.00 0.00 0.00 51.96 50.54 1iqo s ALA 4 Cb 0.00 -3.79 0.02 0.00 0.00 0.00 0.00 23.12 19.35 1iqo s ALA 4 CO 0.00 -2.54 -0.18 0.95 0.00 0.00 0.00 175.76 173.99 1iqo s THR 5 N 4.06 1.94 -0.13 0.00 -4.23 -1.26 -3.28 115.64 112.73 1iqo s THR 5 Ca 0.28 -0.92 -0.11 0.00 -1.18 0.00 0.00 61.69 59.76 1iqo s THR 5 Cb -0.14 -1.80 0.04 0.00 1.34 0.00 0.00 72.50 71.95 1iqo s THR 5 CO 0.16 0.47 0.35 -1.48 -0.54 0.00 0.00 174.62 173.58 1iqo s LEU 6 N 1.33 0.51 -0.24 4.79 2.34 -1.16 -5.05 118.68 121.21 1iqo s LEU 6 Ca 0.04 0.71 -0.06 0.00 0.06 0.00 0.00 54.13 54.88 1iqo s LEU 6 Cb -0.13 1.17 -0.02 0.00 -0.56 0.00 0.00 46.19 46.64 1iqo s LEU 6 CO -0.12 -0.14 0.02 -0.54 -1.06 0.00 0.00 176.35 174.52 1iqo s LYS 7 N 0.52 3.54 0.22 1.48 1.02 -1.26 -2.35 119.74 122.90 1iqo s LYS 7 Ca -0.03 -0.54 0.06 0.00 0.02 0.00 0.00 55.97 55.49 1iqo s LYS 7 Cb -0.04 -3.19 -0.04 0.00 -0.52 0.00 0.00 37.83 34.04 1iqo s LYS 7 CO -0.03 -0.18 0.19 0.20 -0.92 0.00 0.00 175.35 174.61 1iqo s GLY 8 N 1.53 1.52 0.01 -3.33 0.00 0.35 -5.01 107.32 102.38 1iqo s GLY 8 Ca 0.06 -1.32 0.03 0.00 0.00 0.00 0.00 44.72 43.49 1iqo s GLY 8 CO 0.01 -1.35 -0.10 -0.42 0.00 0.00 0.00 173.10 171.24 1iqo s ILE 9 N -1.97 0.80 -0.28 0.90 -1.09 -1.26 -2.55 121.20 115.75 1iqo s ILE 9 Ca 0.32 -0.65 -0.02 0.00 -2.23 0.00 0.00 60.65 58.08 1iqo s ILE 9 Cb -0.09 -0.72 0.04 0.00 -1.58 0.00 0.00 42.46 40.12 1iqo s ILE 9 CO 0.25 0.07 -0.02 -0.36 -1.23 0.00 0.00 174.94 173.64 1iqo s PHE 10 N -0.55 3.20 -0.48 3.97 0.40 -0.37 -4.84 117.98 119.31 1iqo s PHE 10 Ca 0.01 -1.77 -0.16 0.00 -0.60 0.00 0.00 56.93 54.41 1iqo s PHE 10 Cb -0.06 -2.08 0.07 0.00 0.51 0.00 0.00 43.02 41.46 1iqo s PHE 10 CO 0.00 -0.78 0.44 0.95 0.70 0.00 0.00 175.22 176.53 1iqo s THR 11 N 1.27 5.16 0.47 0.64 -4.23 -1.26 -2.96 115.64 114.74 1iqo s THR 11 Ca -0.04 -0.94 0.00 0.00 -1.18 0.00 0.00 61.69 59.54 1iqo s THR 11 Cb -0.19 -4.16 0.00 0.00 1.34 0.00 0.00 72.50 69.49 1iqo s THR 11 CO -0.02 -0.62 0.00 0.18 -0.54 0.00 0.00 174.62 173.62 1iqo n LEU 12 N 5.40 -3.17 -0.32 4.79 4.77 -0.55 -2.97 117.00 124.96 1iqo n LEU 12 Ca -0.11 3.03 0.35 0.00 -0.03 0.00 0.00 56.01 59.25 1iqo n LEU 12 Cb 0.44 -3.16 0.69 0.00 -2.33 0.00 0.00 43.42 39.06 1iqo n LEU 12 CO 0.49 0.15 1.32 0.50 -1.33 0.00 0.00 177.39 178.52 1iqo h LYS 13 N 2.09 0.00 -0.27 3.23 1.63 -1.89 0.15 116.57 121.50 1iqo h LYS 13 Ca 0.00 0.00 0.06 0.00 -0.85 0.00 0.00 60.65 59.86 1iqo h LYS 13 Cb 0.00 0.00 -0.07 0.00 -0.60 0.00 0.00 32.23 31.56 1iqo h LYS 13 CO 0.00 0.00 -0.16 0.22 -3.45 0.00 0.00 179.45 176.06 1iqo h ASP 14 N 0.00 -0.54 -3.61 4.20 1.82 -1.96 -3.36 116.42 112.97 1iqo h ASP 14 Ca 0.57 0.12 -0.59 0.00 -0.39 0.00 0.00 57.03 56.74 1iqo h ASP 14 Cb 2.58 0.28 -0.10 0.00 0.68 0.00 0.00 39.33 42.77 1iqo h ASP 14 CO -0.01 -0.20 0.68 -0.22 -1.61 0.00 0.00 179.24 177.88 1iqo s LEU 15 N -10.53 3.91 -0.35 2.28 1.98 0.53 -4.91 118.68 111.60 1iqo s LEU 15 Ca -0.14 0.14 0.02 0.00 -2.89 0.00 0.00 54.13 51.26 1iqo s LEU 15 Cb 0.13 -3.23 0.43 0.00 0.66 0.00 0.00 46.19 44.17 1iqo s LEU 15 CO 0.69 -1.14 1.73 -0.81 -1.89 0.00 0.00 176.35 174.93 1iqo n PRO 16 N 7.41 1.94 0.00 0.98 -0.04 -1.26 -4.35 135.00 139.68 1iqo n PRO 16 Ca 0.07 -2.14 0.00 0.00 -0.04 0.00 0.00 63.50 61.39 1iqo n PRO 16 Cb 0.49 -1.84 0.00 0.00 -0.04 0.00 0.00 33.50 32.10 1iqo n PRO 16 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 1iqo n GLU 17 N -0.55 0.00 0.00 0.54 -0.00 -1.26 -2.40 120.64 116.97 1iqo n GLU 17 Ca 0.42 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.58 1iqo n GLU 17 Cb 1.16 -0.17 0.00 0.00 -0.00 0.00 0.00 31.44 32.43 1iqo n GLU 17 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.13 175.22 1iqo n GLU 18 N 0.00 0.00 -3.08 3.44 2.13 -1.26 -5.06 120.64 116.80 1iqo n GLU 18 Ca 0.00 0.00 -0.16 0.00 0.66 0.00 0.00 57.16 57.66 1iqo n GLU 18 Cb 0.00 0.00 -0.05 0.00 0.27 0.00 0.00 31.44 31.66 1iqo n GLU 18 CO 0.00 0.00 0.00 0.34 -0.41 0.00 0.00 177.13 177.06 1iqo n PHE 19 N 0.00 -2.34 -1.53 4.31 7.35 -1.01 -5.12 117.46 119.13 1iqo n PHE 19 Ca 0.00 -2.37 0.00 0.00 -0.76 0.00 0.00 57.45 54.32 1iqo n PHE 19 Cb 0.00 0.85 0.00 0.00 0.35 0.00 0.00 39.48 40.68 1iqo n PHE 19 CO 0.00 0.00 0.00 0.54 -0.76 0.00 0.00 176.76 176.54 1iqo n ARG 20 N 2.86 -4.14 -3.11 -4.13 1.74 -1.24 -4.83 116.66 103.81 1iqo n ARG 20 Ca 0.24 3.17 -0.41 0.00 -0.77 0.00 0.00 57.85 60.08 1iqo n ARG 20 Cb 0.52 -3.85 -0.07 0.00 -1.02 0.00 0.00 32.46 28.05 1iqo n ARG 20 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 1iqo s PRO 21 N -4.90 3.88 0.17 5.56 0.04 -1.26 -4.73 135.00 133.75 1iqo s PRO 21 Ca 0.00 0.27 0.04 0.00 0.04 0.00 0.00 61.00 61.35 1iqo s PRO 21 Cb 0.00 -3.74 0.00 0.00 0.04 0.00 0.00 34.50 30.81 1iqo s PRO 21 CO 0.00 -0.59 1.39 0.74 0.04 0.00 0.00 177.00 178.58 1iqo h PHE 22 N 8.22 0.21 0.00 0.56 0.04 -1.90 -3.09 116.94 120.97 1iqo h PHE 22 Ca -0.27 -0.12 0.00 0.00 2.80 0.00 0.00 57.97 60.39 1iqo h PHE 22 Cb 1.12 -0.02 0.00 0.00 2.20 0.00 0.00 35.95 39.24 1iqo h PHE 22 CO 0.76 0.94 0.00 -0.24 -0.60 0.00 0.00 178.31 179.16 1iqo h VAL 23 N 0.07 0.00 -1.02 -0.55 3.04 -2.01 -2.89 116.25 112.90 1iqo h VAL 23 Ca -0.04 -0.06 0.28 0.00 -1.01 0.00 0.00 66.70 65.87 1iqo h VAL 23 Cb 1.50 0.94 -0.13 0.00 -2.01 0.00 0.00 31.29 31.60 1iqo h VAL 23 CO 0.13 0.00 0.61 -0.78 -1.01 0.00 0.00 177.57 176.52 1iqo h ASP 24 N 0.00 0.58 -0.11 3.17 3.58 -1.96 0.27 116.42 121.95 1iqo h ASP 24 Ca 0.00 0.14 -0.01 0.00 0.42 0.00 0.00 57.03 57.59 1iqo h ASP 24 Cb 0.06 0.06 -0.01 0.00 1.72 0.00 0.00 39.33 41.17 1iqo h ASP 24 CO 0.00 0.02 0.05 0.10 -2.88 0.00 0.00 179.24 176.53 1iqo h TYR 25 N 0.46 0.17 0.00 0.28 -0.00 -1.77 -0.12 116.97 115.99 1iqo h TYR 25 Ca 0.67 -0.01 0.00 0.00 0.00 0.00 0.00 58.73 59.39 1iqo h TYR 25 Cb 1.45 -0.05 0.00 0.00 0.00 0.00 0.00 36.73 38.13 1iqo h TYR 25 CO -0.01 0.24 0.00 1.57 -0.00 0.00 0.00 178.16 179.97 1iqo h LYS 26 N 0.04 0.00 0.00 0.10 5.09 -1.05 0.92 116.57 121.67 1iqo h LYS 26 Ca 0.04 0.00 -0.12 0.00 0.09 0.00 0.00 60.65 60.66 1iqo h LYS 26 Cb 0.14 0.00 -0.02 0.00 0.10 0.00 0.00 32.23 32.46 1iqo h LYS 26 CO -0.00 0.00 -0.70 0.00 -2.09 0.00 0.00 179.45 176.65 1iqo h ALA 27 N 2.05 0.66 0.00 0.07 0.00 0.17 -3.35 119.26 118.85 1iqo h ALA 27 Ca 0.00 -0.53 -0.04 0.00 0.00 0.00 0.00 54.91 54.33 1iqo h ALA 27 Cb 0.45 -0.01 -0.10 0.00 0.00 0.00 0.00 17.79 18.13 1iqo h ALA 27 CO 0.00 0.69 -0.51 0.41 0.00 0.00 0.00 179.25 179.84 1iqo n GLY 28 N 1.26 2.78 0.33 0.00 0.00 -0.13 -3.11 105.19 106.33 1iqo n GLY 28 Ca -0.00 -0.79 0.20 0.00 0.00 0.00 0.00 46.02 45.42 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 0.47 0.00 -5.12 0.99 -0.00 0.70 -3.02 115.31 109.33 1iqo h LEU 29 Ca -0.06 0.00 -0.24 0.00 -0.00 0.00 0.00 57.88 57.58 1iqo h LEU 29 Cb 1.33 0.00 -0.28 0.00 -0.00 0.00 0.00 40.66 41.72 1iqo h LEU 29 CO 0.02 0.00 -0.73 1.21 -0.00 0.00 0.00 178.44 178.94 1iqo n GLU 30 N -3.22 1.39 -4.13 0.17 2.13 -1.26 -4.97 120.64 110.74 1iqo n GLU 30 Ca -0.02 -2.45 -0.35 0.00 0.66 0.00 0.00 57.16 55.00 1iqo n GLU 30 Cb 0.16 -0.62 -0.01 0.00 0.27 0.00 0.00 31.44 31.24 1iqo n GLU 30 CO 0.00 0.00 0.00 0.36 -0.41 0.00 0.00 177.13 177.08 1iqo n LYS 31 N -0.75 -3.77 0.03 5.31 2.85 -1.14 -4.89 118.16 115.81 1iqo n LYS 31 Ca -0.02 0.43 -0.01 0.00 -1.05 0.00 0.00 58.31 57.66 1iqo n LYS 31 Cb 0.84 -5.21 -0.01 0.00 -0.65 0.00 0.00 35.03 30.00 1iqo n LYS 31 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 177.40 177.13 1iqo h LYS 32 N -1.63 -0.08 0.00 -1.58 3.64 -1.83 -3.49 116.57 111.60 1iqo h LYS 32 Ca -0.58 0.01 0.02 0.00 -1.27 0.00 0.00 60.65 58.82 1iqo h LYS 32 Cb 1.38 0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 33.22 1iqo h LYS 32 CO 0.75 -0.05 0.09 1.17 -2.27 0.00 0.00 179.45 179.14 1iqo n LYS 33 N -2.24 0.17 -1.07 1.90 4.81 -1.18 -5.09 118.16 115.45 1iqo n LYS 33 Ca -0.01 -0.35 0.00 0.00 -0.87 0.00 0.00 58.31 57.08 1iqo n LYS 33 Cb 0.03 0.45 0.00 0.00 0.02 0.00 0.00 35.03 35.53 1iqo n LYS 33 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 1iqo n LEU 34 N 0.00 0.00 0.00 3.14 7.99 -1.26 -4.49 117.00 122.38 1iqo n LEU 34 Ca -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 55.99 1iqo n LEU 34 Cb 0.11 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.42 1iqo n LEU 34 CO 0.05 0.00 0.00 -0.24 -1.51 0.00 0.00 177.39 175.69 1iqo n SER 35 N -0.83 0.00 0.00 -1.43 2.88 -1.26 -3.99 113.62 108.99 1iqo n SER 35 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1iqo n SER 35 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1iqo n SER 35 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 1iqo n ASP 36 N 0.00 0.00 -0.17 -3.46 2.03 -1.26 -0.81 116.55 112.88 1iqo n ASP 36 Ca 0.00 0.00 0.01 0.00 0.52 0.00 0.00 54.79 55.32 1iqo n ASP 36 Cb 0.00 0.00 0.01 0.00 -0.72 0.00 0.00 41.12 40.41 1iqo n ASP 36 CO 0.00 0.00 0.00 -0.90 -1.92 0.00 0.00 177.20 174.38 1iqo n ASP 37 N 1.04 0.47 -4.76 1.67 5.68 -1.26 -4.97 116.55 114.41 1iqo n ASP 37 Ca 0.00 -1.63 -0.37 0.00 -0.50 0.00 0.00 54.79 52.28 1iqo n ASP 37 Cb 0.00 -0.10 0.02 0.00 -1.14 0.00 0.00 41.12 39.90 1iqo n ASP 37 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 1iqo s ASP 38 N -0.70 5.65 -0.18 -1.12 2.15 0.01 -4.90 116.67 117.57 1iqo s ASP 38 Ca 0.03 2.49 -0.28 0.00 0.43 0.00 0.00 52.55 55.22 1iqo s ASP 38 Cb 0.02 -2.61 0.10 0.00 -0.30 0.00 0.00 42.92 40.13 1iqo s ASP 38 CO 0.00 -1.29 0.87 -1.61 -0.17 0.00 0.00 175.17 172.97 1iqo s GLU 39 N -2.90 0.74 -0.06 4.34 2.02 -1.26 -1.48 118.70 120.09 1iqo s GLU 39 Ca 0.69 0.45 -0.08 0.00 0.02 0.00 0.00 54.97 56.05 1iqo s GLU 39 Cb -0.33 0.35 0.02 0.00 0.10 0.00 0.00 34.13 34.27 1iqo s GLU 39 CO 0.39 -0.18 0.21 -1.50 0.02 0.00 0.00 175.26 174.21 1iqo s ILE 40 N -0.52 0.02 -0.23 -1.63 1.10 -1.15 -2.81 121.20 115.98 1iqo s ILE 40 Ca -0.03 -0.15 -0.02 0.00 -0.51 0.00 0.00 60.65 59.95 1iqo s ILE 40 Cb -0.02 -0.36 0.01 0.00 0.15 0.00 0.00 42.46 42.24 1iqo s ILE 40 CO 0.02 -0.08 -0.08 0.00 -2.11 0.00 0.00 174.94 172.69 1iqo s ALA 41 N -0.23 2.68 -0.08 1.50 0.00 0.22 -1.24 121.76 124.61 1iqo s ALA 41 Ca -0.03 -1.32 0.03 0.00 0.00 0.00 0.00 51.96 50.64 1iqo s ALA 41 Cb -0.03 -1.61 -0.02 0.00 0.00 0.00 0.00 23.12 21.46 1iqo s ALA 41 CO 0.01 -0.60 -0.18 0.96 0.00 0.00 0.00 175.76 175.94 1iqo s ILE 42 N 1.37 2.68 -0.03 0.00 -4.36 -1.06 0.59 121.20 120.40 1iqo s ILE 42 Ca 0.03 -0.83 0.01 0.00 -0.26 0.00 0.00 60.65 59.60 1iqo s ILE 42 Cb -0.15 -2.05 0.02 0.00 1.25 0.00 0.00 42.46 41.52 1iqo s ILE 42 CO -0.05 0.56 -0.05 -0.63 0.24 0.00 0.00 174.94 175.01 1iqo s ILE 43 N -0.17 0.51 0.20 8.37 1.01 -1.06 -0.50 121.20 129.56 1iqo s ILE 43 Ca -0.02 -0.15 0.07 0.00 0.00 0.00 0.00 60.65 60.55 1iqo s ILE 43 Cb -0.14 -0.51 -0.04 0.00 0.01 0.00 0.00 42.46 41.78 1iqo s ILE 43 CO 0.03 0.20 0.08 -0.94 0.00 0.00 0.00 174.94 174.31 1iqo s SER 44 N 0.65 5.11 -0.40 3.58 1.04 -0.99 -2.80 113.70 119.89 1iqo s SER 44 Ca -0.08 -0.32 0.03 0.00 0.48 0.00 0.00 55.95 56.06 1iqo s SER 44 Cb -0.12 -1.20 0.28 0.00 0.10 0.00 0.00 66.02 65.09 1iqo s SER 44 CO 0.00 0.05 1.14 2.30 0.98 0.00 0.00 173.24 177.71 1iqo n ILE 45 N -0.48 0.00 -2.55 -1.02 -6.64 -1.24 -2.97 119.36 104.45 1iqo n ILE 45 Ca -0.08 -1.09 -0.07 0.00 -1.77 0.00 0.00 62.75 59.74 1iqo n ILE 45 Cb 0.56 1.29 -0.00 0.00 -1.44 0.00 0.00 39.64 40.05 1iqo n ILE 45 CO 0.00 0.00 0.00 1.17 -1.77 0.00 0.00 176.55 175.95 1iqo n LYS 46 N 1.11 -2.64 -0.94 6.28 3.00 -1.21 -4.75 118.16 119.01 1iqo n LYS 46 Ca 0.03 0.28 -0.34 0.00 -0.00 0.00 0.00 58.31 58.29 1iqo n LYS 46 Cb 0.69 -4.84 -0.04 0.00 0.00 0.00 0.00 35.03 30.84 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 -0.67 2.73 5.00 3.14 0.00 -1.26 -4.60 105.19 109.53 1iqo n GLY 47 Ca -0.06 -1.06 0.00 0.00 0.00 0.00 0.00 46.02 44.89 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 5.28 0.00 -2.65 2.61 -1.04 -1.26 -3.16 114.28 114.06 1iqo n THR 48 Ca 0.46 0.00 -0.03 0.00 -2.04 0.00 0.00 64.05 62.44 1iqo n THR 48 Cb 0.28 0.00 0.01 0.00 -1.82 0.00 0.00 70.33 68.81 1iqo n THR 48 CO 0.00 0.00 0.00 1.67 -0.64 0.00 0.00 175.07 176.10 1iqo n GLN 49 N 0.00 0.03 -3.11 -2.82 7.27 -1.26 -5.16 117.38 112.31 1iqo n GLN 49 Ca 0.00 -0.53 0.00 0.00 0.07 0.00 0.00 57.00 56.54 1iqo n GLN 49 Cb 0.00 -0.01 0.00 0.00 2.41 0.00 0.00 30.24 32.64 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 -0.19 0.00 -3.92 1.69 2.88 -1.19 -5.17 113.62 107.72 1iqo n SER 50 Ca -0.24 0.00 -0.10 0.00 -1.33 0.00 0.00 58.87 57.20 1iqo n SER 50 Cb 0.66 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 64.06 1iqo n SER 50 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1iqo s ASN 51 N -4.00 -0.03 -0.07 -3.46 2.20 -1.26 -4.02 114.94 104.30 1iqo s ASN 51 Ca 0.00 -0.79 -0.06 0.00 -0.94 0.00 0.00 52.86 51.07 1iqo s ASN 51 Cb 0.00 0.47 -0.04 0.00 -2.00 0.00 0.00 41.25 39.68 1iqo s ASN 51 CO 0.00 -0.94 0.17 -1.38 -2.94 0.00 0.00 177.10 172.01 1iqo s HIS 52 N -3.95 3.58 -0.26 1.54 -3.43 -1.12 -4.97 115.29 106.69 1iqo s HIS 52 Ca 0.16 0.48 -0.08 0.00 -0.80 0.00 0.00 55.06 54.81 1iqo s HIS 52 Cb 0.02 -1.91 -0.03 0.00 -1.43 0.00 0.00 32.58 29.23 1iqo s HIS 52 CO -0.00 0.69 0.10 0.54 -2.00 0.00 0.00 174.74 174.08 1iqo s VAL 53 N -1.16 4.60 -0.14 -5.38 0.11 -1.26 -2.55 120.40 114.62 1iqo s VAL 53 Ca 0.21 -0.07 -0.04 0.00 -2.93 0.00 0.00 61.98 59.15 1iqo s VAL 53 Cb -0.12 -3.16 -0.03 0.00 -1.53 0.00 0.00 36.38 31.53 1iqo s VAL 53 CO 0.11 0.32 -0.02 -0.22 -3.33 0.00 0.00 175.10 171.96 1iqo s LEU 54 N 1.64 3.40 0.33 2.54 1.98 0.20 -4.98 118.68 123.78 1iqo s LEU 54 Ca 0.06 -0.03 -0.19 0.00 -2.89 0.00 0.00 54.13 51.08 1iqo s LEU 54 Cb -0.15 -1.81 -0.09 0.00 0.66 0.00 0.00 46.19 44.79 1iqo s LEU 54 CO 0.06 0.22 0.82 0.12 -1.89 0.00 0.00 176.35 175.68 1iqo s PHE 55 N 0.04 3.46 -0.59 5.38 5.36 -1.26 0.70 117.98 131.06 1iqo s PHE 55 Ca 0.01 1.43 -0.04 0.00 -0.96 0.00 0.00 56.93 57.37 1iqo s PHE 55 Cb -0.13 -2.69 0.15 0.00 -0.34 0.00 0.00 43.02 40.02 1iqo s PHE 55 CO 0.02 0.11 0.42 -0.51 -1.46 0.00 0.00 175.22 173.80 1iqo s LEU 56 N -2.69 5.42 0.01 6.12 2.01 -1.12 -4.80 118.68 123.61 1iqo s LEU 56 Ca 0.53 -2.61 -0.03 0.00 0.01 0.00 0.00 54.13 52.03 1iqo s LEU 56 Cb -0.12 -1.90 -0.02 0.00 0.01 0.00 0.00 46.19 44.17 1iqo s LEU 56 CO 0.18 -0.45 1.05 0.28 1.01 0.00 0.00 176.35 178.42 1iqo h SER 57 N 7.40 -0.13 0.00 2.29 0.02 -1.96 -3.42 113.55 117.74 1iqo h SER 57 Ca -0.04 0.01 -0.09 0.00 -0.84 0.00 0.00 61.79 60.83 1iqo h SER 57 Cb 0.99 0.05 -0.11 0.00 0.14 0.00 0.00 62.40 63.46 1iqo h SER 57 CO 0.73 -0.06 0.08 -1.54 -1.14 0.00 0.00 176.83 174.89 1iqo n SER 58 N -2.59 -1.18 -4.21 3.07 3.41 -1.26 -5.03 113.62 105.83 1iqo n SER 58 Ca -0.01 -1.76 -0.31 0.00 -0.26 0.00 0.00 58.87 56.53 1iqo n SER 58 Cb 0.04 1.05 -0.17 0.00 -0.26 0.00 0.00 64.21 64.87 1iqo n SER 58 CO 0.00 0.00 0.00 -0.31 -0.16 0.00 0.00 175.04 174.57 1iqo s TYR 59 N 0.04 2.35 -0.01 7.33 1.51 -1.26 -5.00 117.35 122.31 1iqo s TYR 59 Ca 0.21 -0.84 0.19 0.00 -1.01 0.00 0.00 57.07 55.62 1iqo s TYR 59 Cb 0.28 -1.57 0.32 0.00 -0.11 0.00 0.00 41.96 40.89 1iqo s TYR 59 CO -0.19 -0.31 1.13 0.09 -1.11 0.00 0.00 175.55 175.16 1iqo n ASN 60 N 3.31 0.83 -0.02 2.29 3.02 -1.26 -5.10 115.26 118.32 1iqo n ASN 60 Ca -0.19 -2.13 0.00 0.00 -0.03 0.00 0.00 54.58 52.23 1iqo n ASN 60 Cb 0.53 -0.29 0.00 0.00 -0.61 0.00 0.00 39.78 39.40 1iqo n ASN 60 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1iqo n SER 61 N 0.24 0.00 -1.53 6.41 7.64 -1.26 -5.16 113.62 119.96 1iqo n SER 61 Ca 0.06 -0.02 0.00 0.00 1.01 0.00 0.00 58.87 59.91 1iqo n SER 61 Cb 1.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 64.20 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 0.00 -3.94 -0.03 0.44 3.14 -1.26 -4.79 118.33 111.88 1iqo n VAL 62 Ca 0.00 1.82 -0.04 0.00 -2.96 0.00 0.00 64.34 63.16 1iqo n VAL 62 Cb 0.00 -2.55 -0.13 0.00 -1.06 0.00 0.00 33.84 30.10 1iqo n VAL 62 CO 0.00 0.00 0.00 0.47 -6.46 0.00 0.00 176.83 170.84 1iqo n ASP 63 N -1.11 0.42 0.01 6.55 9.92 -1.26 -4.13 116.55 126.95 1iqo n ASP 63 Ca 0.00 0.19 0.23 0.00 -0.53 0.00 0.00 54.79 54.68 1iqo n ASP 63 Cb 0.05 0.68 0.72 0.00 -0.64 0.00 0.00 41.12 41.93 1iqo n ASP 63 CO 0.00 0.00 0.00 -0.08 0.13 0.00 0.00 177.20 177.25 1iqo h GLU 64 N 0.00 0.00 0.14 -1.24 4.22 -1.98 0.74 114.58 116.45 1iqo h GLU 64 Ca -0.31 0.00 -0.31 0.00 0.08 0.00 0.00 59.36 58.82 1iqo h GLU 64 Cb 1.84 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 31.09 1iqo h GLU 64 CO 0.04 0.00 -1.58 0.97 -2.18 0.00 0.00 179.01 176.26 1iqo h ILE 65 N 0.00 0.95 -0.03 2.32 -0.00 -1.87 -3.25 117.51 115.63 1iqo h ILE 65 Ca 0.27 -2.42 -0.02 0.00 -0.00 0.00 0.00 64.86 62.69 1iqo h ILE 65 Cb 1.34 2.70 -0.00 0.00 -0.00 0.00 0.00 36.82 40.85 1iqo h ILE 65 CO -0.00 0.77 -0.05 -0.09 -0.00 0.00 0.00 178.15 178.78 1iqo h ARG 66 N -0.15 0.09 -0.40 2.19 2.43 -1.21 -2.73 114.38 114.61 1iqo h ARG 66 Ca -0.33 -0.06 0.10 0.00 -0.81 0.00 0.00 59.98 58.88 1iqo h ARG 66 Cb 1.89 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 31.42 1iqo h ARG 66 CO 0.09 0.60 0.28 -0.22 -1.51 0.00 0.00 179.97 179.21 1iqo h LYS 67 N -0.40 0.08 -0.00 0.20 3.64 0.21 0.72 116.57 121.02 1iqo h LYS 67 Ca 0.00 -0.00 -0.17 0.00 -1.27 0.00 0.00 60.65 59.21 1iqo h LYS 67 Cb 0.59 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.37 1iqo h LYS 67 CO 0.01 0.05 -0.79 1.49 -2.27 0.00 0.00 179.45 177.94 1iqo h GLU 68 N 0.08 0.00 0.00 1.90 4.81 -1.57 -2.80 114.58 117.01 1iqo h GLU 68 Ca 0.19 -0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.41 1iqo h GLU 68 Cb 0.64 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.02 1iqo h GLU 68 CO -0.02 0.79 -0.00 1.25 -0.73 0.00 0.00 179.01 180.31 1iqo h LEU 69 N 0.00 -0.00 -1.88 1.64 5.85 -0.62 -2.41 115.31 117.89 1iqo h LEU 69 Ca -0.01 -0.84 0.03 0.00 0.84 0.00 0.00 57.88 57.90 1iqo h LEU 69 Cb 1.40 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.42 1iqo h LEU 69 CO 0.10 0.85 0.15 1.05 -0.34 0.00 0.00 178.44 180.26 1iqo h GLU 70 N -0.87 0.16 0.00 1.25 4.11 -1.17 -0.94 114.58 117.11 1iqo h GLU 70 Ca -0.00 -0.01 -0.18 0.00 0.07 0.00 0.00 59.36 59.24 1iqo h GLU 70 Cb 0.85 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 30.04 1iqo h GLU 70 CO 0.00 0.10 -0.85 0.93 0.07 0.00 0.00 179.01 179.26 1iqo h GLU 71 N 0.16 0.00 -0.05 1.06 3.07 -1.56 -3.01 114.58 114.24 1iqo h GLU 71 Ca 0.10 0.00 -0.05 0.00 -0.50 0.00 0.00 59.36 58.90 1iqo h GLU 71 Cb 0.18 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.09 1iqo h GLU 71 CO -0.02 0.84 -0.22 0.00 -1.40 0.00 0.00 179.01 178.22 1iqo h ALA 72 N 1.16 1.55 0.13 3.43 0.00 -0.64 0.78 119.26 125.68 1iqo h ALA 72 Ca -0.01 -0.22 -0.32 0.00 0.00 0.00 0.00 54.91 54.35 1iqo h ALA 72 Cb 1.65 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 19.38 1iqo h ALA 72 CO 0.11 0.33 -1.62 0.78 0.00 0.00 0.00 179.25 178.85 1iqo h GLY 73 N 0.76 0.32 0.00 0.00 0.00 -1.53 -3.42 103.07 99.20 1iqo h GLY 73 Ca 0.01 -0.83 0.00 0.00 0.00 0.00 0.00 47.33 46.52 1iqo h GLY 73 CO 0.03 0.72 -0.42 0.00 0.00 0.00 0.00 176.54 176.87 1iqo n ALA 74 N -2.73 0.37 -1.00 3.60 0.00 -1.14 -4.89 120.51 114.72 1iqo n ALA 74 Ca -0.20 -0.44 0.00 0.00 0.00 0.00 0.00 53.44 52.80 1iqo n ALA 74 Cb 1.05 0.01 0.00 0.00 0.00 0.00 0.00 19.45 20.52 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 -3.52 0.08 -1.15 0.00 4.81 0.27 -4.89 118.16 113.76 1iqo n LYS 75 Ca -0.06 0.00 -0.36 0.00 -0.87 0.00 0.00 58.31 57.02 1iqo n LYS 75 Cb 0.22 0.00 0.07 0.00 0.02 0.00 0.00 35.03 35.34 1iqo n LYS 75 CO 0.00 0.00 0.00 -0.89 1.17 0.00 0.00 177.40 177.68 1iqo n ILE 76 N -1.71 1.23 -1.61 3.15 2.08 -1.25 -4.74 119.36 116.51 1iqo n ILE 76 Ca 0.00 -0.37 -0.01 0.00 0.56 0.00 0.00 62.75 62.94 1iqo n ILE 76 Cb 0.00 -0.63 0.00 0.00 -0.75 0.00 0.00 39.64 38.26 1iqo n ILE 76 CO 0.00 0.00 0.00 -0.46 0.56 0.00 0.00 176.55 176.65 1iqo n ASN 77 N -0.12 0.02 0.09 4.38 0.23 -1.26 -4.44 115.26 114.15 1iqo n ASN 77 Ca 0.08 -1.02 0.20 0.00 -0.53 0.00 0.00 54.58 53.32 1iqo n ASN 77 Cb 0.51 -0.02 0.74 0.00 -2.08 0.00 0.00 39.78 38.93 1iqo n ASN 77 CO 0.00 0.00 0.00 0.45 -0.93 0.00 0.00 177.26 176.78 1iqo h HIS 78 N -0.71 0.00 -4.85 -2.53 3.86 -1.95 -3.47 115.15 105.50 1iqo h HIS 78 Ca -0.01 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.20 1iqo h HIS 78 Cb 0.03 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.50 1iqo h HIS 78 CO 0.00 0.00 -0.86 2.41 0.86 0.00 0.00 177.93 180.34 1iqo n THR 79 N -3.65-10.75 -4.03 2.45 -1.04 -1.26 -1.99 114.28 94.01 1iqo n THR 79 Ca 0.07 1.61 -0.36 0.00 -2.04 0.00 0.00 64.05 63.34 1iqo n THR 79 Cb 0.65 -6.56 -0.01 0.00 -1.82 0.00 0.00 70.33 62.59 1iqo n THR 79 CO 0.00 0.00 0.00 1.07 -0.64 0.00 0.00 175.07 175.50 1iqo n THR 80 N 0.61 -3.04 -3.80 12.58 5.66 -1.26 -0.08 114.28 124.95 1iqo n THR 80 Ca 0.00 -0.63 -0.29 0.00 -3.05 0.00 0.00 64.05 60.08 1iqo n THR 80 Cb 0.00 -2.49 -0.03 0.00 -1.55 0.00 0.00 70.33 66.26 1iqo n THR 80 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1iqo n LEU 81 N -4.64 -1.07 -0.05 1.09 -0.00 -1.26 -4.84 117.00 106.24 1iqo n LEU 81 Ca -0.20 -0.66 -0.12 0.00 -0.00 0.00 0.00 56.01 55.03 1iqo n LEU 81 Cb 0.63 -1.74 -0.11 0.00 -0.00 0.00 0.00 43.42 42.20 1iqo n LEU 81 CO 0.76 0.14 0.36 0.50 -0.00 0.00 0.00 177.39 179.14 1iqo h LYS 82 N -0.88 -0.02 -0.94 1.47 1.63 -0.01 -2.94 116.57 114.88 1iqo h LYS 82 Ca -0.45 0.00 0.13 0.00 -0.85 0.00 0.00 60.65 59.48 1iqo h LYS 82 Cb 1.29 0.00 -0.08 0.00 -0.60 0.00 0.00 32.23 32.85 1iqo h LYS 82 CO 0.62 0.76 0.60 0.82 -3.45 0.00 0.00 179.45 178.80 1iqo h ILE 83 N -0.94 0.88 -0.58 2.00 2.04 -1.61 0.94 117.51 120.24 1iqo h ILE 83 Ca -0.00 -0.29 -0.08 0.00 1.00 0.00 0.00 64.86 65.49 1iqo h ILE 83 Cb 0.78 -0.04 -0.02 0.00 -0.74 0.00 0.00 36.82 36.80 1iqo h ILE 83 CO 0.00 0.15 0.06 -0.07 0.00 0.00 0.00 178.15 178.30 1iqo h LEU 84 N 0.84 0.95 -0.39 1.44 3.38 -1.85 -0.67 115.31 119.02 1iqo h LEU 84 Ca 0.47 -0.28 0.00 0.00 0.09 0.00 0.00 57.88 58.16 1iqo h LEU 84 Cb 0.61 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.10 1iqo h LEU 84 CO -0.24 0.99 0.00 1.21 0.09 0.00 0.00 178.44 180.50 1iqo n GLU 85 N -4.28 0.16 -0.04 1.13 4.07 -0.10 -1.37 120.64 120.21 1iqo n GLU 85 Ca 0.03 0.32 -0.10 0.00 -0.06 0.00 0.00 57.16 57.35 1iqo n GLU 85 Cb 0.30 -1.76 -0.14 0.00 -0.06 0.00 0.00 31.44 29.77 1iqo n GLU 85 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1iqo n GLY 86 N 0.35 -0.95 2.67 8.31 0.00 0.14 -4.84 105.19 110.87 1iqo n GLY 86 Ca 0.03 -0.12 -0.05 0.00 0.00 0.00 0.00 46.02 45.89 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 -3.03 -0.76 -0.97 1.61 1.44 -0.35 -5.09 115.22 108.07 1iqo n HIS 87 Ca -0.22 -0.83 0.00 0.00 -2.01 0.00 0.00 57.72 54.67 1iqo n HIS 87 Cb 1.07 1.17 0.00 0.00 0.12 0.00 0.00 29.99 32.35 1iqo n HIS 87 CO 0.00 0.00 0.00 -0.11 -2.81 0.00 0.00 176.34 173.42