#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iqo n PHE 2 N 0.00 -3.04 -2.09 1.96 7.35 -1.26 -4.90 117.46 115.48 1iqo n PHE 2 Ca 0.00 1.17 -0.42 0.00 -0.76 0.00 0.00 57.45 57.44 1iqo n PHE 2 Cb 0.00 -4.11 -0.03 0.00 0.35 0.00 0.00 39.48 35.69 1iqo n PHE 2 CO 0.00 0.00 0.00 0.42 -0.76 0.00 0.00 176.76 176.42 1iqo s ILE 3 N -2.96 3.43 -0.81 -2.13 -1.09 -1.26 -4.95 121.20 111.43 1iqo s ILE 3 Ca 0.03 0.83 -0.21 0.00 -2.23 0.00 0.00 60.65 59.07 1iqo s ILE 3 Cb -0.01 -3.53 0.09 0.00 -1.58 0.00 0.00 42.46 37.43 1iqo s ILE 3 CO 0.75 -0.00 1.08 0.00 -1.23 0.00 0.00 174.94 175.54 1iqo s ALA 4 N 2.54 3.18 -0.66 9.38 0.00 -1.26 -4.97 121.76 129.96 1iqo s ALA 4 Ca 0.68 -2.26 -0.15 0.00 0.00 0.00 0.00 51.96 50.23 1iqo s ALA 4 Cb -0.35 -4.01 0.17 0.00 0.00 0.00 0.00 23.12 18.93 1iqo s ALA 4 CO 0.29 -2.95 0.61 0.95 0.00 0.00 0.00 175.76 174.66 1iqo s THR 5 N 3.60 5.32 -0.44 0.00 -4.23 -1.26 -4.57 115.64 114.05 1iqo s THR 5 Ca 0.29 -1.94 -0.05 0.00 -1.18 0.00 0.00 61.69 58.80 1iqo s THR 5 Cb -0.10 -4.36 0.12 0.00 1.34 0.00 0.00 72.50 69.50 1iqo s THR 5 CO 0.00 -0.93 0.27 -1.48 -0.54 0.00 0.00 174.62 171.94 1iqo s LEU 6 N 0.96 5.44 -0.33 4.79 2.34 -1.16 -5.04 118.68 125.68 1iqo s LEU 6 Ca 0.10 -2.02 -0.07 0.00 0.06 0.00 0.00 54.13 52.20 1iqo s LEU 6 Cb -0.21 -1.91 0.03 0.00 -0.56 0.00 0.00 46.19 43.55 1iqo s LEU 6 CO -0.02 -0.60 0.11 -0.54 -1.06 0.00 0.00 176.35 174.23 1iqo s LYS 7 N 1.19 2.69 -0.13 1.48 3.01 -1.26 -2.29 119.74 124.43 1iqo s LYS 7 Ca 0.08 -1.13 -0.02 0.00 -1.01 0.00 0.00 55.97 53.89 1iqo s LYS 7 Cb -0.24 -3.46 -0.03 0.00 -1.01 0.00 0.00 37.83 33.09 1iqo s LYS 7 CO -0.03 -0.64 -0.06 0.20 0.51 0.00 0.00 175.35 175.33 1iqo s GLY 8 N 1.42 1.68 -0.33 -3.33 0.00 -1.11 -5.01 107.32 100.65 1iqo s GLY 8 Ca -0.01 -0.85 -0.19 0.00 0.00 0.00 0.00 44.72 43.67 1iqo s GLY 8 CO 0.03 -0.24 0.57 -0.42 0.00 0.00 0.00 173.10 173.03 1iqo s ILE 9 N 0.07 4.98 -0.61 0.90 -1.09 -1.26 -2.66 121.20 121.52 1iqo s ILE 9 Ca -0.02 0.60 -0.28 0.00 -2.23 0.00 0.00 60.65 58.72 1iqo s ILE 9 Cb -0.14 -3.97 0.02 0.00 -1.58 0.00 0.00 42.46 36.79 1iqo s ILE 9 CO 0.03 -0.17 1.29 -0.36 -1.23 0.00 0.00 174.94 174.51 1iqo s PHE 10 N 2.50 2.42 -0.54 3.97 0.40 -0.97 -4.96 117.98 120.80 1iqo s PHE 10 Ca 0.22 0.34 -0.23 0.00 -0.60 0.00 0.00 56.93 56.66 1iqo s PHE 10 Cb -0.15 -4.49 0.04 0.00 0.51 0.00 0.00 43.02 38.93 1iqo s PHE 10 CO 0.13 -1.83 0.86 0.95 0.70 0.00 0.00 175.22 176.03 1iqo s THR 11 N 5.55 4.51 0.44 0.64 -4.23 -1.26 -2.96 115.64 118.33 1iqo s THR 11 Ca 0.45 0.12 0.00 0.00 -1.18 0.00 0.00 61.69 61.08 1iqo s THR 11 Cb -0.09 -4.47 0.00 0.00 1.34 0.00 0.00 72.50 69.28 1iqo s THR 11 CO 0.23 -1.02 0.00 0.18 -0.54 0.00 0.00 174.62 173.47 1iqo n LEU 12 N 7.14 -2.28 -0.01 4.79 4.77 -0.98 -3.00 117.00 127.43 1iqo n LEU 12 Ca 0.00 2.69 0.23 0.00 -0.03 0.00 0.00 56.01 58.89 1iqo n LEU 12 Cb 0.47 -2.99 0.60 0.00 -2.33 0.00 0.00 43.42 39.17 1iqo n LEU 12 CO 0.61 0.28 1.20 0.07 -1.33 0.00 0.00 177.39 178.22 1iqo h LYS 13 N 1.79 0.00 -0.86 3.23 2.10 -1.77 0.21 116.57 121.28 1iqo h LYS 13 Ca 0.00 0.00 0.12 0.00 -2.00 0.00 0.00 60.65 58.77 1iqo h LYS 13 Cb 0.00 0.00 -0.08 0.00 -0.90 0.00 0.00 32.23 31.25 1iqo h LYS 13 CO 0.00 0.00 0.48 0.22 -2.00 0.00 0.00 179.45 178.15 1iqo h ASP 14 N 0.00 0.66 -3.52 7.07 1.82 -1.94 -3.20 116.42 117.31 1iqo h ASP 14 Ca 0.30 0.06 -0.79 0.00 -0.39 0.00 0.00 57.03 56.21 1iqo h ASP 14 Cb 1.86 -0.06 -0.29 0.00 0.68 0.00 0.00 39.33 41.53 1iqo h ASP 14 CO -0.00 0.34 0.43 0.18 -1.61 0.00 0.00 179.24 178.57 1iqo n LEU 15 N -4.77 5.45 -2.68 2.28 4.32 0.74 -4.94 117.00 117.39 1iqo n LEU 15 Ca 0.16 -5.05 -0.14 0.00 -0.02 0.00 0.00 56.01 50.95 1iqo n LEU 15 Cb 0.35 -1.44 -0.06 0.00 -1.62 0.00 0.00 43.42 40.65 1iqo n LEU 15 CO 0.25 1.38 1.74 -0.81 -1.22 0.00 0.00 177.39 178.73 1iqo n PRO 16 N 2.60 1.61 0.00 3.23 -0.04 -1.21 -4.20 135.00 136.99 1iqo n PRO 16 Ca 0.24 -1.01 0.00 0.00 -0.04 0.00 0.00 63.50 62.69 1iqo n PRO 16 Cb 0.39 -2.11 0.00 0.00 -0.04 0.00 0.00 33.50 31.73 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 3.44 0.00 0.00 0.54 0.00 -1.26 -1.63 120.64 121.72 1iqo n GLU 17 Ca 0.34 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.50 1iqo n GLU 17 Cb 0.33 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.77 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 0.71 0.00 5.31 0.00 -1.26 -5.08 120.64 120.32 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 -0.78 0.00 0.00 0.00 0.00 0.00 31.44 30.66 1iqo n GLU 18 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.13 177.47 1iqo n PHE 19 N -1.82 -1.20 -3.99 4.31 7.35 -0.65 -5.11 117.46 116.35 1iqo n PHE 19 Ca 0.00 0.00 -0.31 0.00 -0.76 0.00 0.00 57.45 56.38 1iqo n PHE 19 Cb 0.28 0.24 -0.16 0.00 0.35 0.00 0.00 39.48 40.19 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 -0.95 1.93 0.71 -4.13 6.06 -1.26 -4.60 118.95 116.72 1iqo s ARG 20 Ca 0.00 -0.98 0.01 0.00 -2.50 0.00 0.00 55.73 52.26 1iqo s ARG 20 Cb 0.00 -2.56 0.13 0.00 0.06 0.00 0.00 34.95 32.58 1iqo s ARG 20 CO 0.00 -0.51 0.98 -1.25 -2.50 0.00 0.00 175.30 172.02 1iqo s PRO 21 N 1.35 1.69 -0.04 5.12 0.04 -1.26 -5.04 135.00 136.86 1iqo s PRO 21 Ca -0.04 -1.22 0.15 0.00 0.04 0.00 0.00 61.00 59.93 1iqo s PRO 21 Cb -0.18 -2.36 -0.21 0.00 0.04 0.00 0.00 34.50 31.79 1iqo s PRO 21 CO -0.07 -1.43 0.60 1.19 0.04 0.00 0.00 177.00 177.33 1iqo n PHE 22 N -2.79 0.81 0.51 0.56 3.01 -1.26 -3.96 117.46 114.34 1iqo n PHE 22 Ca 0.16 0.29 0.12 0.00 1.01 0.00 0.00 57.45 59.02 1iqo n PHE 22 Cb 0.61 -1.12 0.46 0.00 -0.01 0.00 0.00 39.48 39.42 1iqo n PHE 22 CO 0.00 0.00 0.00 1.33 1.01 0.00 0.00 176.76 179.10 1iqo n VAL 23 N -2.94 0.74 -0.33 -4.37 0.24 -1.26 -3.42 118.33 106.99 1iqo n VAL 23 Ca -0.17 0.08 0.21 0.00 -2.04 0.00 0.00 64.34 62.41 1iqo n VAL 23 Cb 1.01 -0.95 0.46 0.00 -1.47 0.00 0.00 33.84 32.89 1iqo n VAL 23 CO 0.00 0.00 0.00 -2.24 -2.14 0.00 0.00 176.83 172.45 1iqo h ASP 24 N 0.00 0.54 -0.01 -1.34 2.03 -1.98 0.93 116.42 116.58 1iqo h ASP 24 Ca 0.00 0.10 0.00 0.00 -0.73 0.00 0.00 57.03 56.40 1iqo h ASP 24 Cb 0.46 0.01 -0.00 0.00 -0.83 0.00 0.00 39.33 38.97 1iqo h ASP 24 CO 0.00 0.10 0.01 0.10 -1.03 0.00 0.00 179.24 178.42 1iqo h TYR 25 N 0.47 0.00 -0.43 4.15 -0.00 -1.85 -0.91 116.97 118.41 1iqo h TYR 25 Ca 0.61 0.00 -0.09 0.00 -0.00 0.00 0.00 58.73 59.24 1iqo h TYR 25 Cb 1.38 0.00 -0.02 0.00 -0.00 0.00 0.00 36.73 38.09 1iqo h TYR 25 CO -0.00 0.00 -0.12 -0.22 -0.00 0.00 0.00 178.16 177.82 1iqo h LYS 26 N 0.00 0.77 0.00 0.10 3.64 0.65 0.98 116.57 122.72 1iqo h LYS 26 Ca 0.00 -0.26 -0.05 0.00 -1.27 0.00 0.00 60.65 59.08 1iqo h LYS 26 Cb 0.02 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 31.77 1iqo h LYS 26 CO -0.00 0.86 -0.22 0.00 -2.27 0.00 0.00 179.45 177.82 1iqo h ALA 27 N 1.17 1.43 0.00 5.00 0.00 -1.16 -3.04 119.26 122.66 1iqo h ALA 27 Ca 0.12 -0.20 -0.04 0.00 0.00 0.00 0.00 54.91 54.78 1iqo h ALA 27 Cb 0.60 -0.04 -0.10 0.00 0.00 0.00 0.00 17.79 18.26 1iqo h ALA 27 CO 0.04 0.27 -0.58 0.41 0.00 0.00 0.00 179.25 179.40 1iqo n GLY 28 N -0.69 3.87 0.06 0.00 0.00 -0.93 -2.99 105.19 104.51 1iqo n GLY 28 Ca -0.02 -1.11 0.13 0.00 0.00 0.00 0.00 46.02 45.01 1iqo n GLY 28 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1iqo n LEU 29 N -0.70 0.42 -2.27 0.99 -0.00 0.34 -4.39 117.00 111.39 1iqo n LEU 29 Ca 0.15 0.55 -0.02 0.00 -0.00 0.00 0.00 56.01 56.69 1iqo n LEU 29 Cb 0.80 -0.44 -0.01 0.00 -0.00 0.00 0.00 43.42 43.77 1iqo n LEU 29 CO -0.03 -0.18 0.51 -1.84 -0.00 0.00 0.00 177.39 175.85 1iqo n GLU 30 N -1.91 0.13 -3.40 1.96 0.28 -1.26 -4.98 120.64 111.46 1iqo n GLU 30 Ca 0.05 -0.44 -0.18 0.00 -0.16 0.00 0.00 57.16 56.43 1iqo n GLU 30 Cb 0.34 0.01 0.08 0.00 1.43 0.00 0.00 31.44 33.30 1iqo n GLU 30 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 177.13 178.14 1iqo n LYS 31 N -0.38 -6.63 0.10 3.44 4.81 -1.26 -4.87 118.16 113.37 1iqo n LYS 31 Ca -0.19 0.78 0.10 0.00 -0.87 0.00 0.00 58.31 58.12 1iqo n LYS 31 Cb 0.60 -5.62 0.43 0.00 0.02 0.00 0.00 35.03 30.46 1iqo n LYS 31 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74 1iqo n LYS 32 N -4.20 0.13 -0.58 1.64 3.00 -1.16 -4.98 118.16 112.00 1iqo n LYS 32 Ca -0.16 0.45 0.07 0.00 -0.00 0.00 0.00 58.31 58.67 1iqo n LYS 32 Cb 0.62 -1.79 -0.04 0.00 0.00 0.00 0.00 35.03 33.82 1iqo n LYS 32 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.40 178.57 1iqo n LYS 33 N -2.04 -1.35 -2.48 1.64 4.81 -1.23 -4.63 118.16 112.88 1iqo n LYS 33 Ca 0.01 1.10 -0.39 0.00 -0.87 0.00 0.00 58.31 58.16 1iqo n LYS 33 Cb 0.15 -1.58 -0.03 0.00 0.02 0.00 0.00 35.03 33.59 1iqo n LYS 33 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 1iqo s LEU 34 N -5.34 3.36 -1.06 3.14 2.01 -1.26 -4.92 118.68 114.61 1iqo s LEU 34 Ca 0.00 -1.00 -0.18 0.00 0.01 0.00 0.00 54.13 52.96 1iqo s LEU 34 Cb 0.00 -2.56 0.13 0.00 0.01 0.00 0.00 46.19 43.76 1iqo s LEU 34 CO 0.00 -1.77 1.31 -0.94 1.01 0.00 0.00 176.35 175.96 1iqo s SER 35 N 5.09 6.76 0.67 2.29 1.04 -1.26 -4.82 113.70 123.47 1iqo s SER 35 Ca 0.46 -2.29 0.43 0.00 0.48 0.00 0.00 55.95 55.04 1iqo s SER 35 Cb -0.04 -2.44 2.35 0.00 0.10 0.00 0.00 66.02 66.00 1iqo s SER 35 CO -0.00 -1.04 2.33 -2.24 0.98 0.00 0.00 173.24 173.27 1iqo h ASP 36 N 8.35 0.00 -0.40 7.02 2.03 -1.98 0.12 116.42 131.56 1iqo h ASP 36 Ca 0.24 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.54 1iqo h ASP 36 Cb 0.96 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.46 1iqo h ASP 36 CO 1.22 0.00 0.00 -0.67 -1.03 0.00 0.00 179.24 178.76 1iqo n ASP 37 N -3.10 3.29 -4.89 4.15 2.03 -1.26 -4.45 116.55 112.31 1iqo n ASP 37 Ca -0.03 -1.97 -0.29 0.00 0.52 0.00 0.00 54.79 53.03 1iqo n ASP 37 Cb 0.10 -0.26 -0.02 0.00 -0.72 0.00 0.00 41.12 40.23 1iqo n ASP 37 CO 0.00 0.00 0.00 -1.81 -1.92 0.00 0.00 177.20 173.47 1iqo s ASP 38 N -1.45 6.39 0.08 1.67 1.11 0.42 -4.95 116.67 119.94 1iqo s ASP 38 Ca 0.39 0.98 -0.08 0.00 0.18 0.00 0.00 52.55 54.02 1iqo s ASP 38 Cb 0.22 -2.26 -0.00 0.00 1.07 0.00 0.00 42.92 41.95 1iqo s ASP 38 CO 0.31 -0.45 0.17 -1.61 1.18 0.00 0.00 175.17 174.77 1iqo s GLU 39 N -4.22 0.79 -0.15 8.23 2.02 -1.26 -2.32 118.70 121.79 1iqo s GLU 39 Ca 0.48 -0.93 -0.05 0.00 0.02 0.00 0.00 54.97 54.50 1iqo s GLU 39 Cb -0.10 0.32 0.08 0.00 0.10 0.00 0.00 34.13 34.52 1iqo s GLU 39 CO 0.37 -0.24 0.27 0.42 0.02 0.00 0.00 175.26 176.10 1iqo s ILE 40 N -3.63 -0.42 -0.11 -1.63 1.01 -1.16 -2.96 121.20 112.31 1iqo s ILE 40 Ca 0.03 0.18 -0.25 0.00 0.00 0.00 0.00 60.65 60.62 1iqo s ILE 40 Cb 0.04 -0.52 -0.03 0.00 0.01 0.00 0.00 42.46 41.97 1iqo s ILE 40 CO -0.10 0.04 0.79 0.00 0.00 0.00 0.00 174.94 175.67 1iqo s ALA 41 N 2.42 3.40 -0.26 9.38 0.00 -0.83 -2.29 121.76 133.59 1iqo s ALA 41 Ca 0.03 0.13 -0.03 0.00 0.00 0.00 0.00 51.96 52.09 1iqo s ALA 41 Cb -0.13 -3.12 0.02 0.00 0.00 0.00 0.00 23.12 19.89 1iqo s ALA 41 CO -0.10 -0.37 -0.03 0.42 0.00 0.00 0.00 175.76 175.68 1iqo s ILE 42 N 1.44 3.12 -0.44 0.00 -1.09 -1.09 -1.63 121.20 121.50 1iqo s ILE 42 Ca 0.39 -0.94 -0.15 0.00 -2.23 0.00 0.00 60.65 57.72 1iqo s ILE 42 Cb -0.18 -2.59 0.05 0.00 -1.58 0.00 0.00 42.46 38.17 1iqo s ILE 42 CO 0.17 0.18 0.35 -0.63 -1.23 0.00 0.00 174.94 173.77 1iqo s ILE 43 N 1.36 5.23 -0.43 2.92 -1.09 0.55 -2.75 121.20 127.00 1iqo s ILE 43 Ca 0.01 -0.88 -0.18 0.00 -2.23 0.00 0.00 60.65 57.37 1iqo s ILE 43 Cb -0.17 -4.03 0.03 0.00 -1.58 0.00 0.00 42.46 36.71 1iqo s ILE 43 CO -0.03 -0.45 0.50 -0.55 -1.23 0.00 0.00 174.94 173.18 1iqo s SER 44 N 2.17 6.23 0.00 3.58 0.15 -0.97 -0.64 113.70 124.21 1iqo s SER 44 Ca 0.04 -0.62 0.00 0.00 0.70 0.00 0.00 55.95 56.07 1iqo s SER 44 Cb -0.22 -2.25 0.00 0.00 -1.71 0.00 0.00 66.02 61.84 1iqo s SER 44 CO 0.08 -0.65 0.00 2.30 1.20 0.00 0.00 173.24 176.17 1iqo n ILE 45 N 5.55 0.00 0.00 6.45 -5.35 -1.26 -3.00 119.36 121.74 1iqo n ILE 45 Ca -0.06 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.42 1iqo n ILE 45 Cb 0.47 0.00 0.00 0.00 -1.74 0.00 0.00 39.64 38.37 1iqo n ILE 45 CO 0.00 0.00 0.00 1.17 -1.76 0.00 0.00 176.55 175.96 1iqo n LYS 46 N 0.00 0.00 -4.16 6.28 4.81 -1.26 -4.23 118.16 119.60 1iqo n LYS 46 Ca 0.00 0.47 -0.35 0.00 -0.87 0.00 0.00 58.31 57.56 1iqo n LYS 46 Cb 0.00 -1.13 -0.05 0.00 0.02 0.00 0.00 35.03 33.87 1iqo n LYS 46 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1iqo n GLY 47 N -0.88 -0.43 3.77 3.14 0.00 -1.26 -0.58 105.19 108.94 1iqo n GLY 47 Ca 0.00 0.09 -0.25 0.00 0.00 0.00 0.00 46.02 45.86 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 -4.05 -4.52 -2.71 2.61 -2.24 -1.26 -3.19 114.28 98.92 1iqo n THR 48 Ca 0.08 -0.65 -0.04 0.00 -2.27 0.00 0.00 64.05 61.18 1iqo n THR 48 Cb 0.48 -3.64 0.02 0.00 -2.10 0.00 0.00 70.33 65.08 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 -4.25 -1.21 -3.60 -0.78 7.27 0.26 -5.05 117.38 110.01 1iqo n GLN 49 Ca -0.24 1.05 0.01 0.00 0.07 0.00 0.00 57.00 57.89 1iqo n GLN 49 Cb 0.66 -4.70 -0.01 0.00 2.41 0.00 0.00 30.24 28.60 1iqo n GLN 49 CO 0.00 0.00 0.00 0.45 0.07 0.00 0.00 177.06 177.58 1iqo s SER 50 N -2.93 -0.04 -0.04 1.69 0.15 -0.98 -5.14 113.70 106.41 1iqo s SER 50 Ca 0.11 -0.06 0.07 0.00 0.70 0.00 0.00 55.95 56.77 1iqo s SER 50 Cb -0.01 0.09 -0.02 0.00 -1.71 0.00 0.00 66.02 64.37 1iqo s SER 50 CO 0.56 -0.17 -0.25 0.54 1.20 0.00 0.00 173.24 175.13 1iqo s ASN 51 N -2.79 3.13 -0.15 5.45 2.20 -1.26 -4.05 114.94 117.47 1iqo s ASN 51 Ca 0.14 -0.47 -0.21 0.00 -0.94 0.00 0.00 52.86 51.38 1iqo s ASN 51 Cb 0.05 -0.66 -0.03 0.00 -2.00 0.00 0.00 41.25 38.61 1iqo s ASN 51 CO -0.05 0.28 0.60 -1.00 -2.94 0.00 0.00 177.10 173.99 1iqo s HIS 52 N -0.36 3.45 -0.02 1.54 3.76 0.18 -4.93 115.29 118.91 1iqo s HIS 52 Ca 0.02 0.98 0.01 0.00 -0.15 0.00 0.00 55.06 55.93 1iqo s HIS 52 Cb -0.12 -2.73 -0.03 0.00 1.11 0.00 0.00 32.58 30.81 1iqo s HIS 52 CO 0.02 -0.03 -0.03 0.54 -0.85 0.00 0.00 174.74 174.39 1iqo s VAL 53 N 1.33 3.93 -0.06 -0.90 0.11 -1.26 -0.33 120.40 123.22 1iqo s VAL 53 Ca 0.30 -0.59 -0.03 0.00 -2.93 0.00 0.00 61.98 58.73 1iqo s VAL 53 Cb -0.16 -2.70 0.04 0.00 -1.53 0.00 0.00 36.38 32.03 1iqo s VAL 53 CO 0.12 0.45 0.10 -0.76 -3.33 0.00 0.00 175.10 171.69 1iqo s LEU 54 N -1.28 0.09 0.15 2.54 1.43 -0.65 -5.01 118.68 115.95 1iqo s LEU 54 Ca 0.17 0.19 -0.30 0.00 -1.03 0.00 0.00 54.13 53.16 1iqo s LEU 54 Cb -0.11 0.05 -0.07 0.00 0.03 0.00 0.00 46.19 46.09 1iqo s LEU 54 CO 0.07 -0.24 1.09 0.12 0.23 0.00 0.00 176.35 177.62 1iqo s PHE 55 N 2.16 3.60 -0.42 0.29 5.36 -1.26 -1.96 117.98 125.76 1iqo s PHE 55 Ca 0.03 1.59 -0.16 0.00 -0.96 0.00 0.00 56.93 57.43 1iqo s PHE 55 Cb -0.12 -3.26 0.02 0.00 -0.34 0.00 0.00 43.02 39.32 1iqo s PHE 55 CO -0.04 -0.57 0.36 -0.51 -1.46 0.00 0.00 175.22 173.00 1iqo s LEU 56 N -0.10 5.05 -0.20 6.12 1.02 -1.15 -4.91 118.68 124.51 1iqo s LEU 56 Ca 0.50 -0.85 -0.01 0.00 0.02 0.00 0.00 54.13 53.80 1iqo s LEU 56 Cb -0.28 -2.25 -0.21 0.00 0.02 0.00 0.00 46.19 43.47 1iqo s LEU 56 CO 0.33 -0.52 0.02 -0.24 0.02 0.00 0.00 176.35 175.96 1iqo n SER 57 N 5.35 1.95 -2.05 2.29 2.88 -1.26 -4.40 113.62 118.38 1iqo n SER 57 Ca -0.10 0.01 0.02 0.00 -1.33 0.00 0.00 58.87 57.47 1iqo n SER 57 Cb 0.47 -0.53 0.03 0.00 -0.75 0.00 0.00 64.21 63.43 1iqo n SER 57 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1iqo n SER 58 N -3.32 1.24 -2.84 -3.46 7.64 -1.26 -5.10 113.62 106.51 1iqo n SER 58 Ca -0.40 -2.01 -0.07 0.00 1.01 0.00 0.00 58.87 57.40 1iqo n SER 58 Cb 1.02 -0.37 0.06 0.00 -1.01 0.00 0.00 64.21 63.91 1iqo n SER 58 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1iqo n TYR 59 N 0.05 -3.00 -2.22 1.43 9.36 -1.26 -4.80 117.16 116.71 1iqo n TYR 59 Ca 0.06 -0.23 -0.00 0.00 3.32 0.00 0.00 57.90 61.05 1iqo n TYR 59 Cb 1.01 -0.28 -0.00 0.00 -0.63 0.00 0.00 39.34 39.43 1iqo n TYR 59 CO 0.00 0.00 0.00 0.27 0.22 0.00 0.00 176.86 177.35 1iqo n ASN 60 N -3.52 -4.46 0.01 2.98 6.94 -1.26 -4.98 115.26 110.97 1iqo n ASN 60 Ca 0.04 1.39 0.00 0.00 -0.02 0.00 0.00 54.58 55.99 1iqo n ASN 60 Cb 0.14 -3.25 0.00 0.00 -2.36 0.00 0.00 39.78 34.32 1iqo n ASN 60 CO 0.00 0.00 0.00 -0.24 -1.03 0.00 0.00 177.26 175.99 1iqo n SER 61 N 1.95 -0.14 -2.02 0.53 2.88 -1.26 -5.14 113.62 110.43 1iqo n SER 61 Ca -0.02 0.12 -0.08 0.00 -1.33 0.00 0.00 58.87 57.56 1iqo n SER 61 Cb 0.02 0.28 -0.02 0.00 -0.75 0.00 0.00 64.21 63.74 1iqo n SER 61 CO 0.00 0.00 0.00 1.33 -1.23 0.00 0.00 175.04 175.14 1iqo n VAL 62 N -2.28 0.00 1.84 2.46 0.24 -1.26 -5.02 118.33 114.30 1iqo n VAL 62 Ca 0.00 -0.97 0.13 0.00 -2.04 0.00 0.00 64.34 61.47 1iqo n VAL 62 Cb 0.00 0.56 0.72 0.00 -1.47 0.00 0.00 33.84 33.65 1iqo n VAL 62 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 1iqo n ASP 63 N -2.00 0.43 0.03 -1.34 9.92 -1.26 -3.45 116.55 118.87 1iqo n ASP 63 Ca 0.01 -1.26 -0.09 0.00 -0.53 0.00 0.00 54.79 52.92 1iqo n ASP 63 Cb 0.29 -0.01 -0.13 0.00 -0.64 0.00 0.00 41.12 40.63 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 0.63 0.05 0.00 -1.24 4.81 -1.99 -2.98 114.58 113.85 1iqo h GLU 64 Ca 0.00 -0.08 -0.12 0.00 -0.13 0.00 0.00 59.36 59.03 1iqo h GLU 64 Cb 0.14 0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.53 1iqo h GLU 64 CO 0.00 0.82 -0.65 -0.84 -0.73 0.00 0.00 179.01 177.61 1iqo h ILE 65 N 0.01 0.89 0.07 2.32 -2.65 -1.98 -3.12 117.51 113.05 1iqo h ILE 65 Ca -0.16 -2.29 -0.26 0.00 1.03 0.00 0.00 64.86 63.18 1iqo h ILE 65 Cb 1.91 2.41 0.01 0.00 -2.05 0.00 0.00 36.82 39.10 1iqo h ILE 65 CO 0.12 0.51 -1.11 0.08 0.03 0.00 0.00 178.15 177.77 1iqo h ARG 66 N 0.00 0.37 -0.20 0.16 -0.00 -1.68 -3.13 114.38 109.91 1iqo h ARG 66 Ca -0.02 -0.50 -0.06 0.00 -0.00 0.00 0.00 59.98 59.39 1iqo h ARG 66 Cb 1.44 0.17 -0.01 0.00 -0.00 0.00 0.00 29.97 31.56 1iqo h ARG 66 CO 0.07 1.19 -0.15 -0.22 -0.00 0.00 0.00 179.97 180.85 1iqo h LYS 67 N 0.17 0.32 0.34 0.08 3.11 -1.57 -0.82 116.57 118.19 1iqo h LYS 67 Ca -0.12 -0.09 -0.02 0.00 -2.81 0.00 0.00 60.65 57.62 1iqo h LYS 67 Cb 1.79 -0.04 0.00 0.00 -1.00 0.00 0.00 32.23 32.99 1iqo h LYS 67 CO 0.19 0.48 -0.16 0.93 -2.81 0.00 0.00 179.45 178.08 1iqo h GLU 68 N 0.30 -0.43 -0.18 1.90 4.39 -1.53 0.45 114.58 119.47 1iqo h GLU 68 Ca 0.06 0.03 -0.00 0.00 0.34 0.00 0.00 59.36 59.79 1iqo h GLU 68 Cb 0.46 0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 29.20 1iqo h GLU 68 CO 0.03 -0.18 0.10 1.25 -1.16 0.00 0.00 179.01 179.05 1iqo h LEU 69 N -0.63 0.22 -1.70 1.33 5.85 -1.47 -1.96 115.31 116.95 1iqo h LEU 69 Ca -0.05 -0.06 0.07 0.00 0.84 0.00 0.00 57.88 58.68 1iqo h LEU 69 Cb 0.45 -0.05 -0.03 0.00 0.37 0.00 0.00 40.66 41.40 1iqo h LEU 69 CO 0.08 0.21 0.32 -0.08 -0.34 0.00 0.00 178.44 178.63 1iqo h GLU 70 N 0.20 0.36 -0.56 1.25 4.81 -1.13 -0.58 114.58 118.94 1iqo h GLU 70 Ca 0.06 -0.02 -0.10 0.00 -0.13 0.00 0.00 59.36 59.17 1iqo h GLU 70 Cb 0.04 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.32 1iqo h GLU 70 CO -0.01 0.24 -0.06 1.49 -0.73 0.00 0.00 179.01 179.94 1iqo h GLU 71 N 0.37 1.01 0.00 1.92 4.81 -0.18 -2.24 114.58 120.27 1iqo h GLU 71 Ca 0.21 -0.34 0.00 0.00 -0.13 0.00 0.00 59.36 59.10 1iqo h GLU 71 Cb 0.35 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.65 1iqo h GLU 71 CO -0.05 1.02 0.00 0.00 -0.73 0.00 0.00 179.01 179.25 1iqo n ALA 72 N -2.49 2.47 -0.03 2.92 0.00 -0.31 -1.59 120.51 121.47 1iqo n ALA 72 Ca 0.02 -0.14 -0.01 0.00 0.00 0.00 0.00 53.44 53.31 1iqo n ALA 72 Cb 0.37 -1.48 -0.00 0.00 0.00 0.00 0.00 19.45 18.34 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 4.85 0.00 0.00 0.00 0.00 -0.68 -3.44 103.07 103.79 1iqo h GLY 73 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1iqo h GLY 73 CO 0.00 0.00 -0.92 0.00 0.00 0.00 0.00 176.54 175.62 1iqo n ALA 74 N -2.62 2.53 -2.01 3.60 0.00 -1.17 -4.99 120.51 115.86 1iqo n ALA 74 Ca -0.01 -0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.24 1iqo n ALA 74 Cb 0.05 -0.25 0.00 0.00 0.00 0.00 0.00 19.45 19.26 1iqo n ALA 74 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1iqo n LYS 75 N -1.51 3.23 -1.62 0.00 5.02 -0.62 -5.00 118.16 117.67 1iqo n LYS 75 Ca -0.00 0.00 -0.58 0.00 -2.02 0.00 0.00 58.31 55.70 1iqo n LYS 75 Cb 0.15 0.00 -0.08 0.00 -0.02 0.00 0.00 35.03 35.09 1iqo n LYS 75 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 1iqo n ILE 76 N 0.00 0.06 -2.99 -0.18 5.41 -0.96 -4.55 119.36 116.15 1iqo n ILE 76 Ca 0.00 -0.01 -0.12 0.00 1.00 0.00 0.00 62.75 63.62 1iqo n ILE 76 Cb 0.00 -0.59 0.04 0.00 -0.71 0.00 0.00 39.64 38.38 1iqo n ILE 76 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 176.55 176.09 1iqo n ASN 77 N 3.10 1.24 0.44 4.38 0.23 -1.26 -3.25 115.26 120.13 1iqo n ASN 77 Ca 0.23 -1.91 -0.18 0.00 -0.53 0.00 0.00 54.58 52.19 1iqo n ASN 77 Cb 0.09 -0.26 -0.09 0.00 -2.08 0.00 0.00 39.78 37.44 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 0.03 -1.03 -4.58 -2.53 3.86 -1.93 -3.46 115.15 105.51 1iqo h HIS 78 Ca -0.16 -0.02 -0.19 0.00 -1.16 0.00 0.00 60.37 58.84 1iqo h HIS 78 Cb 0.75 0.34 -0.03 0.00 1.06 0.00 0.00 27.41 29.53 1iqo h HIS 78 CO 0.00 -0.63 -0.25 -2.37 0.86 0.00 0.00 177.93 175.54 1iqo n THR 79 N -5.53 -0.41 0.00 2.45 5.66 -1.26 -3.81 114.28 111.38 1iqo n THR 79 Ca -0.14 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.86 1iqo n THR 79 Cb 0.45 -1.09 0.00 0.00 -1.55 0.00 0.00 70.33 68.14 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 -3.16 0.00 -1.48 1.09 5.66 -1.26 -4.98 114.28 110.14 1iqo n THR 80 Ca -0.07 0.00 -0.06 0.00 -3.05 0.00 0.00 64.05 60.87 1iqo n THR 80 Cb 0.56 0.00 -0.02 0.00 -1.55 0.00 0.00 70.33 69.32 1iqo n THR 80 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 175.07 172.20 1iqo n LEU 81 N 0.00 -0.71 0.12 1.09 4.77 -1.25 -4.92 117.00 116.10 1iqo n LEU 81 Ca 0.00 0.10 -0.02 0.00 -0.03 0.00 0.00 56.01 56.05 1iqo n LEU 81 Cb 0.00 -1.18 0.08 0.00 -2.33 0.00 0.00 43.42 39.99 1iqo n LEU 81 CO 0.00 -0.23 0.39 0.50 -1.33 0.00 0.00 177.39 176.72 1iqo h LYS 82 N 0.00 0.00 0.83 3.23 3.11 -1.94 -3.00 116.57 118.80 1iqo h LYS 82 Ca -0.13 0.00 -0.04 0.00 -2.81 0.00 0.00 60.65 57.68 1iqo h LYS 82 Cb 0.62 0.00 -0.00 0.00 -1.00 0.00 0.00 32.23 31.85 1iqo h LYS 82 CO 0.17 0.72 -0.48 0.82 -2.81 0.00 0.00 179.45 177.87 1iqo h ILE 83 N 0.00 0.03 -0.74 2.00 2.04 -1.91 0.16 117.51 119.09 1iqo h ILE 83 Ca -0.01 0.00 0.10 0.00 1.00 0.00 0.00 64.86 65.95 1iqo h ILE 83 Cb 1.32 0.03 -0.05 0.00 -0.74 0.00 0.00 36.82 37.38 1iqo h ILE 83 CO 0.09 0.00 0.49 0.17 0.00 0.00 0.00 178.15 178.90 1iqo h LEU 84 N -1.22 0.56 -1.54 1.44 8.10 -1.89 0.40 115.31 121.16 1iqo h LEU 84 Ca -0.11 0.02 -0.05 0.00 0.11 0.00 0.00 57.88 57.85 1iqo h LEU 84 Cb 0.97 -0.10 -0.01 0.00 -0.44 0.00 0.00 40.66 41.08 1iqo h LEU 84 CO 0.13 0.33 -0.22 -0.08 -4.11 0.00 0.00 178.44 174.49 1iqo h GLU 85 N 0.62 0.00 -0.07 0.17 4.81 -1.28 0.45 114.58 119.28 1iqo h GLU 85 Ca 0.34 0.00 -0.15 0.00 -0.13 0.00 0.00 59.36 59.43 1iqo h GLU 85 Cb 0.51 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.88 1iqo h GLU 85 CO -0.12 0.22 -0.61 0.78 -0.73 0.00 0.00 179.01 178.55 1iqo h GLY 86 N 1.14 0.28 -5.00 1.92 0.00 0.28 -3.41 103.07 98.27 1iqo h GLY 86 Ca -0.00 -0.35 -0.13 0.00 0.00 0.00 0.00 47.33 46.85 1iqo h GLY 86 CO 0.03 0.31 -0.27 -2.39 0.00 0.00 0.00 176.54 174.22 1iqo n HIS 87 N -3.87 -1.97 -1.09 5.60 1.44 -0.96 -5.11 115.22 109.27 1iqo n HIS 87 Ca -0.02 -1.18 0.00 0.00 -2.01 0.00 0.00 57.72 54.51 1iqo n HIS 87 Cb 0.62 1.32 0.00 0.00 0.12 0.00 0.00 29.99 32.05 1iqo n HIS 87 CO 0.00 0.00 0.00 -0.11 -2.81 0.00 0.00 176.34 173.42