#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 -1.36 -2.34 -1.77 1.16 -1.26 -4.90 117.46 106.99 1iqo n PHE 2 Ca 0.00 -0.11 -0.42 0.00 -1.87 0.00 0.00 57.45 55.05 1iqo n PHE 2 Cb 0.00 -1.66 -0.03 0.00 -1.61 0.00 0.00 39.48 36.18 1iqo n PHE 2 CO 0.00 0.00 0.00 0.42 -1.87 0.00 0.00 176.76 175.31 1iqo s ILE 3 N -2.36 3.98 -0.39 1.97 1.01 -1.26 -5.00 121.20 119.16 1iqo s ILE 3 Ca 0.66 1.33 -0.10 0.00 0.00 0.00 0.00 60.65 62.54 1iqo s ILE 3 Cb -0.23 -3.85 0.05 0.00 0.01 0.00 0.00 42.46 38.44 1iqo s ILE 3 CO 0.66 -0.01 0.22 0.00 0.00 0.00 0.00 174.94 175.80 1iqo s ALA 4 N 2.40 3.26 0.48 9.38 0.00 -1.26 -5.08 121.76 130.94 1iqo s ALA 4 Ca 0.60 -1.86 0.03 0.00 0.00 0.00 0.00 51.96 50.72 1iqo s ALA 4 Cb -0.28 -2.59 0.01 0.00 0.00 0.00 0.00 23.12 20.26 1iqo s ALA 4 CO 0.24 -1.48 0.68 0.95 0.00 0.00 0.00 175.76 176.15 1iqo s THR 5 N 1.50 3.26 -0.36 0.00 -4.23 -1.26 -4.59 115.64 109.97 1iqo s THR 5 Ca 0.02 -0.70 0.01 0.00 -1.18 0.00 0.00 61.69 59.84 1iqo s THR 5 Cb -0.21 -3.19 0.15 0.00 1.34 0.00 0.00 72.50 70.59 1iqo s THR 5 CO 0.05 -0.12 0.28 -0.22 -0.54 0.00 0.00 174.62 174.07 1iqo s LEU 6 N -4.58 0.48 0.17 4.79 2.96 0.85 -4.97 118.68 118.39 1iqo s LEU 6 Ca 0.53 -1.86 0.08 0.00 -0.22 0.00 0.00 54.13 52.66 1iqo s LEU 6 Cb -0.10 0.04 -0.04 0.00 0.50 0.00 0.00 46.19 46.59 1iqo s LEU 6 CO 0.37 -0.29 -0.04 -0.54 -1.32 0.00 0.00 176.35 174.52 1iqo s LYS 7 N 1.29 2.27 0.06 1.98 1.02 -1.26 0.93 119.74 126.04 1iqo s LYS 7 Ca 0.17 -1.15 -0.27 0.00 0.02 0.00 0.00 55.97 54.74 1iqo s LYS 7 Cb -0.19 -2.29 0.09 0.00 -0.52 0.00 0.00 37.83 34.91 1iqo s LYS 7 CO -0.03 0.45 0.94 0.20 -0.92 0.00 0.00 175.35 175.99 1iqo s GLY 8 N -2.83 -0.36 -0.28 -3.33 0.00 -0.84 -5.01 107.32 94.67 1iqo s GLY 8 Ca 0.26 0.61 -0.01 0.00 0.00 0.00 0.00 44.72 45.58 1iqo s GLY 8 CO 0.17 0.18 -0.03 -0.42 0.00 0.00 0.00 173.10 173.00 1iqo s ILE 9 N -3.16 2.84 -0.32 0.90 1.09 -1.26 -2.85 121.20 118.44 1iqo s ILE 9 Ca 0.09 -1.31 -0.06 0.00 -1.10 0.00 0.00 60.65 58.27 1iqo s ILE 9 Cb -0.01 -2.58 0.03 0.00 -1.06 0.00 0.00 42.46 38.84 1iqo s ILE 9 CO -0.04 -0.00 0.09 -0.36 -0.10 0.00 0.00 174.94 174.53 1iqo s PHE 10 N 1.25 3.22 0.12 3.97 0.40 -1.11 -4.99 117.98 120.85 1iqo s PHE 10 Ca -0.04 -1.33 -0.30 0.00 -0.60 0.00 0.00 56.93 54.66 1iqo s PHE 10 Cb -0.19 -2.26 -0.06 0.00 0.51 0.00 0.00 43.02 41.02 1iqo s PHE 10 CO -0.03 -0.69 1.08 0.95 0.70 0.00 0.00 175.22 177.23 1iqo s THR 11 N 1.42 4.13 0.52 0.64 -4.23 -1.26 -0.18 115.64 116.68 1iqo s THR 11 Ca -0.01 1.71 0.38 0.00 -1.18 0.00 0.00 61.69 62.59 1iqo s THR 11 Cb -0.19 -4.09 0.58 0.00 1.34 0.00 0.00 72.50 70.14 1iqo s THR 11 CO 0.02 0.24 1.71 -0.07 -0.54 0.00 0.00 174.62 175.98 1iqo h LEU 12 N 5.75 0.08 0.00 4.79 -0.00 -1.79 1.14 115.31 125.27 1iqo h LEU 12 Ca -0.43 0.03 0.00 0.00 -0.00 0.00 0.00 57.88 57.48 1iqo h LEU 12 Cb 1.21 0.02 0.00 0.00 -0.00 0.00 0.00 40.66 41.89 1iqo h LEU 12 CO 0.74 -0.02 -0.02 0.11 -0.00 0.00 0.00 178.44 179.26 1iqo h LYS 13 N 0.05 0.00 -1.87 1.13 1.79 -1.87 -3.38 116.57 112.42 1iqo h LYS 13 Ca 0.71 0.00 -0.61 0.00 -2.18 0.00 0.00 60.65 58.57 1iqo h LYS 13 Cb 2.66 0.00 -0.22 0.00 -1.58 0.00 0.00 32.23 33.09 1iqo h LYS 13 CO -0.10 0.00 0.72 -3.47 -1.08 0.00 0.00 179.45 175.52 1iqo n ASP 14 N -2.99 7.03 -0.20 0.86 -0.08 -0.88 -4.73 116.55 115.56 1iqo n ASP 14 Ca -0.00 -3.51 0.01 0.00 -1.51 0.00 0.00 54.79 49.78 1iqo n ASP 14 Cb 0.01 -1.13 0.10 0.00 2.34 0.00 0.00 41.12 42.44 1iqo n ASP 14 CO 0.00 0.00 0.00 -0.07 0.12 0.00 0.00 177.20 177.25 1iqo h LEU 15 N 3.26 -0.15 -4.24 -2.67 3.38 0.11 -2.04 115.31 112.96 1iqo h LEU 15 Ca 0.48 0.13 -0.43 0.00 0.09 0.00 0.00 57.88 58.16 1iqo h LEU 15 Cb 0.46 0.22 -0.16 0.00 0.09 0.00 0.00 40.66 41.27 1iqo h LEU 15 CO 1.17 -0.06 0.31 -0.81 0.09 0.00 0.00 178.44 179.14 1iqo n PRO 16 N -5.21 2.22 0.00 1.13 -0.05 -1.26 -4.59 135.00 127.24 1iqo n PRO 16 Ca 0.09 -2.02 0.00 0.00 -0.05 0.00 0.00 63.50 61.52 1iqo n PRO 16 Cb 0.34 -2.01 0.00 0.00 -0.05 0.00 0.00 33.50 31.78 1iqo n PRO 16 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 175.50 173.54 1iqo n GLU 17 N 0.93 0.00 0.00 0.54 2.13 -0.77 0.48 120.64 123.96 1iqo n GLU 17 Ca 0.44 0.00 -0.00 0.00 0.66 0.00 0.00 57.16 58.25 1iqo n GLU 17 Cb 0.59 0.00 -0.00 0.00 0.27 0.00 0.00 31.44 32.30 1iqo n GLU 17 CO 0.00 0.00 0.00 0.93 -0.41 0.00 0.00 177.13 177.65 1iqo h GLU 18 N 0.00 -0.03 0.00 5.31 4.39 -1.89 -3.50 114.58 118.86 1iqo h GLU 18 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1iqo h GLU 18 Cb 0.00 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 28.66 1iqo h GLU 18 CO 0.00 -0.02 0.00 1.19 -1.16 0.00 0.00 179.01 179.02 1iqo n PHE 19 N -2.54 -3.07 -1.49 4.33 3.72 0.18 -5.10 117.46 113.49 1iqo n PHE 19 Ca -0.00 0.66 -0.42 0.00 -0.05 0.00 0.00 57.45 57.64 1iqo n PHE 19 Cb 0.01 1.88 -0.14 0.00 -0.94 0.00 0.00 39.48 40.29 1iqo n PHE 19 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 1iqo n ARG 20 N -2.89 0.04 -2.82 -1.08 5.12 -1.26 -4.70 116.66 109.06 1iqo n ARG 20 Ca 0.00 0.00 -0.43 0.00 -1.93 0.00 0.00 57.85 55.49 1iqo n ARG 20 Cb 0.00 -1.57 -0.04 0.00 -1.16 0.00 0.00 32.46 29.69 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 8.80 3.15 0.00 5.56 0.04 -1.26 -4.49 135.00 146.80 1iqo s PRO 21 Ca 1.34 -0.82 0.00 0.00 0.04 0.00 0.00 61.00 61.56 1iqo s PRO 21 Cb -1.23 -4.28 0.00 0.00 0.04 0.00 0.00 34.50 29.03 1iqo s PRO 21 CO 0.49 -1.86 0.00 1.19 0.04 0.00 0.00 177.00 176.86 1iqo n PHE 22 N 7.86 0.00 0.37 0.56 3.01 -1.26 -4.55 117.46 123.45 1iqo n PHE 22 Ca -0.01 0.00 0.04 0.00 1.01 0.00 0.00 57.45 58.49 1iqo n PHE 22 Cb 0.46 0.00 0.21 0.00 -0.01 0.00 0.00 39.48 40.14 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 -2.29 1.00 -0.25 -4.37 0.24 -1.26 -3.05 118.33 108.35 1iqo n VAL 23 Ca 0.00 0.25 0.33 0.00 -2.04 0.00 0.00 64.34 62.88 1iqo n VAL 23 Cb 0.00 -1.11 0.73 0.00 -1.47 0.00 0.00 33.84 31.99 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 0.00 0.14 -1.34 2.03 -1.93 1.06 116.42 116.38 1iqo h ASP 24 Ca 0.00 0.00 -0.03 0.00 -0.73 0.00 0.00 57.03 56.27 1iqo h ASP 24 Cb 0.10 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 38.60 1iqo h ASP 24 CO 0.00 0.00 -0.15 0.10 -1.03 0.00 0.00 179.24 178.16 1iqo h TYR 25 N 0.00 0.02 -0.04 4.15 -0.00 -1.86 -1.64 116.97 117.60 1iqo h TYR 25 Ca 0.51 -0.00 -0.11 0.00 0.00 0.00 0.00 58.73 59.13 1iqo h TYR 25 Cb 2.17 -0.01 -0.01 0.00 0.00 0.00 0.00 36.73 38.88 1iqo h TYR 25 CO 0.00 0.17 -0.46 -0.22 -0.00 0.00 0.00 178.16 177.65 1iqo h LYS 26 N 0.02 0.10 0.00 0.10 1.63 0.90 1.27 116.57 120.59 1iqo h LYS 26 Ca 0.00 -0.05 0.00 0.00 -0.85 0.00 0.00 60.65 59.75 1iqo h LYS 26 Cb 0.28 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.91 1iqo h LYS 26 CO 0.02 0.55 0.00 0.00 -3.45 0.00 0.00 179.45 176.57 1iqo n ALA 27 N -2.46 2.08 -2.31 5.00 0.00 -0.63 -3.73 120.51 118.46 1iqo n ALA 27 Ca -0.02 -0.01 0.02 0.00 0.00 0.00 0.00 53.44 53.43 1iqo n ALA 27 Cb 0.50 -1.43 0.01 0.00 0.00 0.00 0.00 19.45 18.53 1iqo n ALA 27 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1iqo n GLY 28 N 0.90 0.82 0.13 0.00 0.00 -0.88 -1.16 105.19 104.99 1iqo n GLY 28 Ca 0.05 -0.52 0.11 0.00 0.00 0.00 0.00 46.02 45.65 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 0.31 0.57 -2.69 0.99 -0.00 0.43 -4.08 117.00 112.53 1iqo n LEU 29 Ca 0.02 0.68 -0.05 0.00 -0.00 0.00 0.00 56.01 56.65 1iqo n LEU 29 Cb 0.97 -0.65 0.08 0.00 -0.00 0.00 0.00 43.42 43.83 1iqo n LEU 29 CO -0.03 -0.66 0.52 1.21 -0.00 0.00 0.00 177.39 178.43 1iqo n GLU 30 N -2.17 0.37 -3.61 1.47 2.13 -1.26 -4.96 120.64 112.61 1iqo n GLU 30 Ca 0.01 -1.06 -0.27 0.00 0.66 0.00 0.00 57.16 56.50 1iqo n GLU 30 Cb 0.16 -0.57 0.01 0.00 0.27 0.00 0.00 31.44 31.31 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 1.18 -4.23 -1.16 5.31 2.85 -1.26 -4.84 118.16 116.01 1iqo n LYS 31 Ca 0.02 0.55 -0.20 0.00 -1.05 0.00 0.00 58.31 57.63 1iqo n LYS 31 Cb 0.70 -5.34 0.20 0.00 -0.65 0.00 0.00 35.03 29.94 1iqo n LYS 31 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 177.40 178.52 1iqo n LYS 32 N -4.16 2.53 -2.48 -1.58 4.81 -1.25 -4.88 118.16 111.16 1iqo n LYS 32 Ca 0.01 -2.95 -0.39 0.00 -0.87 0.00 0.00 58.31 54.11 1iqo n LYS 32 Cb 0.54 -2.16 -0.03 0.00 0.02 0.00 0.00 35.03 33.40 1iqo n LYS 32 CO 0.00 0.00 0.00 0.21 1.17 0.00 0.00 177.40 178.78 1iqo s LYS 33 N -3.15 3.47 0.28 1.64 2.20 -0.31 -4.45 119.74 119.41 1iqo s LYS 33 Ca 0.55 -1.13 0.00 0.00 -0.36 0.00 0.00 55.97 55.04 1iqo s LYS 33 Cb 0.46 -5.34 0.05 0.00 -1.51 0.00 0.00 37.83 31.49 1iqo s LYS 33 CO 0.11 -2.43 0.38 1.28 -0.36 0.00 0.00 175.35 174.33 1iqo n LEU 34 N 9.69 0.00 0.00 5.43 7.99 -1.26 -5.10 117.00 133.75 1iqo n LEU 34 Ca 0.37 -0.83 -0.06 0.00 -0.01 0.00 0.00 56.01 55.47 1iqo n LEU 34 Cb 0.50 -0.24 0.02 0.00 -0.11 0.00 0.00 43.42 43.59 1iqo n LEU 34 CO 0.67 -0.68 0.11 -1.20 -1.51 0.00 0.00 177.39 174.78 1iqo n SER 35 N -2.94 0.70 -4.56 -1.43 7.64 -1.26 -4.88 113.62 106.89 1iqo n SER 35 Ca 0.06 -1.49 -0.15 0.00 1.01 0.00 0.00 58.87 58.30 1iqo n SER 35 Cb 0.23 -0.13 -0.07 0.00 -1.01 0.00 0.00 64.21 63.23 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 -2.76 1.79 0.00 6.43 -0.08 -1.26 -3.72 116.55 116.95 1iqo n ASP 36 Ca 0.05 -1.42 0.00 0.00 -1.51 0.00 0.00 54.79 51.91 1iqo n ASP 36 Cb 0.19 -1.64 0.00 0.00 2.34 0.00 0.00 41.12 42.01 1iqo n ASP 36 CO 0.00 0.00 0.00 -0.67 0.12 0.00 0.00 177.20 176.65 1iqo n ASP 37 N 18.40 0.00 -4.87 1.67 -0.08 -1.26 -5.14 116.55 125.27 1iqo n ASP 37 Ca 0.47 0.00 -0.30 0.00 -1.51 0.00 0.00 54.79 53.44 1iqo n ASP 37 Cb 0.43 0.15 -0.01 0.00 2.34 0.00 0.00 41.12 44.03 1iqo n ASP 37 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 1iqo s ASP 38 N -1.34 6.40 0.23 1.67 2.15 -1.24 -5.04 116.67 119.50 1iqo s ASP 38 Ca 0.00 1.31 -0.11 0.00 0.43 0.00 0.00 52.55 54.18 1iqo s ASP 38 Cb 0.00 -2.41 -0.01 0.00 -0.30 0.00 0.00 42.92 40.20 1iqo s ASP 38 CO 0.00 -0.64 0.41 -1.61 -0.17 0.00 0.00 175.17 173.16 1iqo s GLU 39 N -4.52 1.46 0.09 4.34 2.02 -1.26 -2.70 118.70 118.13 1iqo s GLU 39 Ca 0.54 -1.31 0.02 0.00 0.02 0.00 0.00 54.97 54.23 1iqo s GLU 39 Cb -0.10 0.43 -0.04 0.00 0.10 0.00 0.00 34.13 34.51 1iqo s GLU 39 CO 0.41 -0.58 -0.06 0.42 0.02 0.00 0.00 175.26 175.47 1iqo s ILE 40 N -4.04 0.66 -0.19 -1.63 1.01 0.75 -2.95 121.20 114.81 1iqo s ILE 40 Ca 0.25 -1.92 -0.00 0.00 0.00 0.00 0.00 60.65 58.98 1iqo s ILE 40 Cb 0.01 -1.66 0.05 0.00 0.01 0.00 0.00 42.46 40.86 1iqo s ILE 40 CO 0.09 -0.88 -0.05 0.00 0.00 0.00 0.00 174.94 174.10 1iqo s ALA 41 N -3.63 1.60 -0.12 9.38 0.00 0.56 -2.74 121.76 126.81 1iqo s ALA 41 Ca 0.11 -0.99 -0.03 0.00 0.00 0.00 0.00 51.96 51.05 1iqo s ALA 41 Cb 0.05 -1.23 -0.03 0.00 0.00 0.00 0.00 23.12 21.91 1iqo s ALA 41 CO -0.05 -0.94 0.01 0.96 0.00 0.00 0.00 175.76 175.73 1iqo s ILE 42 N 1.57 4.32 -0.04 0.00 -0.00 -1.13 -1.78 121.20 124.14 1iqo s ILE 42 Ca -0.01 -0.23 -0.01 0.00 -0.00 0.00 0.00 60.65 60.40 1iqo s ILE 42 Cb -0.17 -2.86 0.03 0.00 -0.00 0.00 0.00 42.46 39.46 1iqo s ILE 42 CO -0.07 0.55 0.03 -0.63 -0.00 0.00 0.00 174.94 174.81 1iqo s ILE 43 N -0.33 0.04 -0.20 8.37 1.01 -1.12 -2.00 121.20 126.97 1iqo s ILE 43 Ca 0.07 0.24 0.01 0.00 0.00 0.00 0.00 60.65 60.97 1iqo s ILE 43 Cb -0.12 -0.21 0.02 0.00 0.01 0.00 0.00 42.46 42.16 1iqo s ILE 43 CO 0.02 0.16 -0.16 -0.55 0.00 0.00 0.00 174.94 174.41 1iqo s SER 44 N 1.55 3.51 0.03 3.58 0.15 0.26 -2.05 113.70 120.73 1iqo s SER 44 Ca -0.03 -0.74 -0.10 0.00 0.70 0.00 0.00 55.95 55.78 1iqo s SER 44 Cb -0.13 -1.53 -0.32 0.00 -1.71 0.00 0.00 66.02 62.33 1iqo s SER 44 CO -0.03 -0.04 0.99 0.40 1.20 0.00 0.00 173.24 175.77 1iqo h ILE 45 N 6.04 1.30 -1.43 6.45 1.08 -1.86 0.24 117.51 129.32 1iqo h ILE 45 Ca -0.41 -2.81 0.13 0.00 -0.39 0.00 0.00 64.86 61.38 1iqo h ILE 45 Cb 1.13 2.95 -0.22 0.00 -3.07 0.00 0.00 36.82 37.61 1iqo h ILE 45 CO 0.61 0.84 0.05 -0.54 -0.69 0.00 0.00 178.15 178.43 1iqo s LYS 46 N -2.62 0.42 0.54 2.37 1.02 -1.24 -4.58 119.74 115.65 1iqo s LYS 46 Ca -0.08 1.05 0.22 0.00 0.02 0.00 0.00 55.97 57.18 1iqo s LYS 46 Cb 0.05 0.63 1.40 0.00 -0.52 0.00 0.00 37.83 39.40 1iqo s LYS 46 CO 0.91 -0.16 2.10 0.78 -0.92 0.00 0.00 175.35 178.06 1iqo h GLY 47 N 7.74 0.00 1.68 -3.33 0.00 -1.90 0.15 103.07 107.40 1iqo h GLY 47 Ca -0.17 0.00 -0.20 0.00 0.00 0.00 0.00 47.33 46.96 1iqo h GLY 47 CO 0.09 0.00 -1.08 -0.84 0.00 0.00 0.00 176.54 174.71 1iqo h THR 48 N 0.00 1.21 0.00 4.70 2.02 -2.02 -3.39 112.91 115.42 1iqo h THR 48 Ca 0.09 -2.85 0.00 0.00 0.77 0.00 0.00 66.41 64.42 1iqo h THR 48 Cb 0.38 2.57 0.00 0.00 -1.74 0.00 0.00 68.15 69.37 1iqo h THR 48 CO -0.00 0.69 -0.03 -0.61 0.37 0.00 0.00 175.52 175.93 1iqo h GLN 49 N 0.00 0.00 -1.08 6.66 5.75 -1.57 -3.51 115.11 121.36 1iqo h GLN 49 Ca -0.08 0.00 0.36 0.00 -0.15 0.00 0.00 58.65 58.78 1iqo h GLN 49 Cb 1.71 0.00 -0.17 0.00 1.07 0.00 0.00 27.48 30.09 1iqo h GLN 49 CO 0.10 0.00 0.97 0.45 -2.65 0.00 0.00 178.83 177.69 1iqo s SER 50 N -3.76 -0.02 0.39 -0.69 0.15 0.38 -5.04 113.70 105.11 1iqo s SER 50 Ca -0.01 -0.01 0.08 0.00 0.70 0.00 0.00 55.95 56.70 1iqo s SER 50 Cb 0.00 0.03 -0.05 0.00 -1.71 0.00 0.00 66.02 64.29 1iqo s SER 50 CO 0.01 -0.05 0.13 0.54 1.20 0.00 0.00 173.24 175.08 1iqo s ASN 51 N -2.55 4.36 0.01 5.45 4.22 -1.26 -3.63 114.94 121.53 1iqo s ASN 51 Ca 0.13 -1.06 0.01 0.00 -2.14 0.00 0.00 52.86 49.81 1iqo s ASN 51 Cb 0.03 -0.51 -0.01 0.00 1.28 0.00 0.00 41.25 42.05 1iqo s ASN 51 CO -0.05 -0.45 -0.04 -1.00 -2.04 0.00 0.00 177.10 173.52 1iqo s HIS 52 N -2.58 0.35 -0.07 1.54 3.76 -0.87 -5.00 115.29 112.42 1iqo s HIS 52 Ca 0.39 -0.17 -0.01 0.00 -0.15 0.00 0.00 55.06 55.13 1iqo s HIS 52 Cb 0.03 -0.22 0.03 0.00 1.11 0.00 0.00 32.58 33.52 1iqo s HIS 52 CO 0.22 -0.03 -0.02 0.54 -0.85 0.00 0.00 174.74 174.59 1iqo s VAL 53 N -0.40 0.51 0.02 -0.90 0.11 -1.26 -2.81 120.40 115.66 1iqo s VAL 53 Ca -0.02 0.01 0.03 0.00 -2.93 0.00 0.00 61.98 59.07 1iqo s VAL 53 Cb -0.03 -0.62 -0.01 0.00 -1.53 0.00 0.00 36.38 34.18 1iqo s VAL 53 CO -0.00 0.27 -0.11 -0.76 -3.33 0.00 0.00 175.10 171.17 1iqo s LEU 54 N 1.72 2.10 0.01 2.54 1.43 -0.73 -5.05 118.68 120.69 1iqo s LEU 54 Ca 0.02 -0.31 0.02 0.00 -1.03 0.00 0.00 54.13 52.82 1iqo s LEU 54 Cb -0.13 -0.47 -0.04 0.00 0.03 0.00 0.00 46.19 45.59 1iqo s LEU 54 CO -0.05 0.04 0.01 0.72 0.23 0.00 0.00 176.35 177.31 1iqo s PHE 55 N -0.58 3.10 -0.25 0.29 -0.12 -1.26 -0.33 117.98 118.82 1iqo s PHE 55 Ca 0.01 0.09 -0.07 0.00 -0.05 0.00 0.00 56.93 56.90 1iqo s PHE 55 Cb -0.06 -1.66 -0.03 0.00 -0.63 0.00 0.00 43.02 40.64 1iqo s PHE 55 CO 0.00 0.48 0.07 -0.51 -0.05 0.00 0.00 175.22 175.21 1iqo s LEU 56 N -1.67 3.44 0.05 -1.99 1.43 -1.15 -4.87 118.68 113.91 1iqo s LEU 56 Ca 0.21 -0.21 -0.17 0.00 -1.03 0.00 0.00 54.13 52.93 1iqo s LEU 56 Cb -0.12 -1.92 -0.19 0.00 0.03 0.00 0.00 46.19 44.00 1iqo s LEU 56 CO 0.12 -0.04 1.22 -1.28 0.23 0.00 0.00 176.35 176.60 1iqo h SER 57 N 8.24 0.71 0.00 2.29 0.87 -1.99 -3.38 113.55 120.29 1iqo h SER 57 Ca -0.38 -0.67 0.00 0.00 -1.23 0.00 0.00 61.79 59.51 1iqo h SER 57 Cb 1.17 -0.21 0.00 0.00 -0.44 0.00 0.00 62.40 62.92 1iqo h SER 57 CO 0.58 1.27 0.00 -1.20 -0.53 0.00 0.00 176.83 176.94 1iqo n SER 58 N -4.13 0.00 -2.92 6.23 7.64 -1.26 -4.97 113.62 114.22 1iqo n SER 58 Ca -0.09 0.00 -0.01 0.00 1.01 0.00 0.00 58.87 59.78 1iqo n SER 58 Cb 0.67 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.86 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 -0.78 -2.06 -3.37 1.43 9.36 -1.26 -5.01 117.16 115.46 1iqo n TYR 59 Ca 0.00 1.04 -0.15 0.00 3.32 0.00 0.00 57.90 62.11 1iqo n TYR 59 Cb 0.00 -2.46 -0.08 0.00 -0.63 0.00 0.00 39.34 36.16 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 -0.91 1.31 -0.40 2.98 2.20 -1.26 -5.00 114.94 113.85 1iqo s ASN 60 Ca -0.06 -0.77 -0.15 0.00 -0.94 0.00 0.00 52.86 50.93 1iqo s ASN 60 Cb 0.00 0.66 0.02 0.00 -2.00 0.00 0.00 41.25 39.93 1iqo s ASN 60 CO 0.39 -0.36 0.49 -0.24 -2.94 0.00 0.00 177.10 174.43 1iqo n SER 61 N 5.19 -7.69 -3.56 3.54 2.88 -1.26 -5.05 113.62 107.67 1iqo n SER 61 Ca 0.00 0.62 -0.00 0.00 -1.33 0.00 0.00 58.87 58.16 1iqo n SER 61 Cb 0.47 -4.91 -0.04 0.00 -0.75 0.00 0.00 64.21 58.98 1iqo n SER 61 CO 0.00 0.00 0.00 0.68 -1.23 0.00 0.00 175.04 174.49 1iqo s VAL 62 N -2.28 -0.86 0.30 2.46 -7.23 -1.26 -5.02 120.40 106.50 1iqo s VAL 62 Ca 0.22 0.00 0.19 0.00 -1.81 0.00 0.00 61.98 60.57 1iqo s VAL 62 Cb -0.05 -1.00 0.16 0.00 0.56 0.00 0.00 36.38 36.05 1iqo s VAL 62 CO 0.77 0.00 1.85 -2.24 -0.31 0.00 0.00 175.10 175.16 1iqo h ASP 63 N 7.87 0.00 0.58 4.85 2.03 -1.98 -2.68 116.42 127.09 1iqo h ASP 63 Ca -0.17 0.00 -0.02 0.00 -0.73 0.00 0.00 57.03 56.10 1iqo h ASP 63 Cb 1.11 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 39.60 1iqo h ASP 63 CO 0.10 0.31 -0.41 -0.08 -1.03 0.00 0.00 179.24 178.13 1iqo h GLU 64 N 0.00 -0.92 -0.38 4.15 4.81 -1.98 0.77 114.58 121.02 1iqo h GLU 64 Ca -0.00 0.06 -0.08 0.00 -0.13 0.00 0.00 59.36 59.21 1iqo h GLU 64 Cb 0.68 0.21 -0.02 0.00 0.63 0.00 0.00 28.75 30.25 1iqo h GLU 64 CO 0.04 -0.62 -0.09 0.82 -0.73 0.00 0.00 179.01 178.44 1iqo h ILE 65 N -0.96 1.24 -0.71 2.32 2.04 -1.98 0.11 117.51 119.57 1iqo h ILE 65 Ca -0.07 -1.05 -0.02 0.00 1.00 0.00 0.00 64.86 64.72 1iqo h ILE 65 Cb 0.80 1.04 -0.03 0.00 -0.74 0.00 0.00 36.82 37.89 1iqo h ILE 65 CO 0.03 0.36 0.38 -0.09 0.00 0.00 0.00 178.15 178.83 1iqo h ARG 66 N 0.60 0.99 0.02 2.37 2.43 -1.22 0.78 114.38 120.36 1iqo h ARG 66 Ca 0.11 -0.11 -0.25 0.00 -0.81 0.00 0.00 59.98 58.91 1iqo h ARG 66 Cb 0.51 -0.20 -0.03 0.00 -0.42 0.00 0.00 29.97 29.83 1iqo h ARG 66 CO 0.03 0.74 -1.32 -0.22 -1.51 0.00 0.00 179.97 177.69 1iqo h LYS 67 N 1.00 0.05 0.25 0.20 3.64 -0.52 -2.99 116.57 118.19 1iqo h LYS 67 Ca 0.25 -0.08 -0.01 0.00 -1.27 0.00 0.00 60.65 59.54 1iqo h LYS 67 Cb 0.05 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 31.90 1iqo h LYS 67 CO -0.04 0.86 -0.12 1.49 -2.27 0.00 0.00 179.45 179.37 1iqo h GLU 68 N 0.01 -0.32 0.14 1.90 4.22 -0.41 -2.42 114.58 117.71 1iqo h GLU 68 Ca -0.14 0.02 -0.01 0.00 0.08 0.00 0.00 59.36 59.32 1iqo h GLU 68 Cb 1.89 0.07 0.00 0.00 0.50 0.00 0.00 28.75 31.22 1iqo h GLU 68 CO 0.12 0.03 -0.07 1.25 -2.18 0.00 0.00 179.01 178.16 1iqo h LEU 69 N -0.76 -0.16 -1.99 1.64 5.85 -1.01 -1.87 115.31 117.00 1iqo h LEU 69 Ca -0.03 -0.02 0.18 0.00 0.84 0.00 0.00 57.88 58.85 1iqo h LEU 69 Cb 0.50 0.04 -0.03 0.00 0.37 0.00 0.00 40.66 41.55 1iqo h LEU 69 CO 0.06 -0.09 0.50 -0.33 -0.34 0.00 0.00 178.44 178.23 1iqo h GLU 70 N -0.22 0.00 -0.24 1.25 5.08 -1.61 0.57 114.58 119.41 1iqo h GLU 70 Ca -0.02 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.28 1iqo h GLU 70 Cb 0.17 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.41 1iqo h GLU 70 CO 0.03 0.00 -0.07 0.93 -1.00 0.00 0.00 179.01 178.90 1iqo h GLU 71 N 0.00 0.47 0.00 2.33 5.08 -0.81 -2.64 114.58 119.00 1iqo h GLU 71 Ca 0.30 -0.19 0.00 0.00 -1.00 0.00 0.00 59.36 58.47 1iqo h GLU 71 Cb 1.29 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.52 1iqo h GLU 71 CO -0.00 0.71 0.00 0.00 -1.00 0.00 0.00 179.01 178.71 1iqo h ALA 72 N 0.75 1.00 0.04 3.43 0.00 -0.63 0.73 119.26 124.57 1iqo h ALA 72 Ca 0.06 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 1iqo h ALA 72 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.33 1iqo h ALA 72 CO 0.03 0.00 -0.02 0.78 0.00 0.00 0.00 179.25 180.04 1iqo h GLY 73 N 1.44 -0.06 -0.18 0.00 0.00 -1.09 -3.43 103.07 99.76 1iqo h GLY 73 Ca 0.00 0.02 0.00 0.00 0.00 0.00 0.00 47.33 47.35 1iqo h GLY 73 CO 0.00 -0.02 -0.14 0.00 0.00 0.00 0.00 176.54 176.38 1iqo n ALA 74 N -2.21 2.58 -2.00 3.60 0.00 -1.17 -4.94 120.51 116.37 1iqo n ALA 74 Ca -0.01 -0.30 0.00 0.00 0.00 0.00 0.00 53.44 53.13 1iqo n ALA 74 Cb 0.02 -0.18 0.00 0.00 0.00 0.00 0.00 19.45 19.29 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 -0.55 3.55 -1.46 0.00 3.00 0.25 -5.00 118.16 117.95 1iqo n LYS 75 Ca 0.02 0.00 -0.54 0.00 -0.00 0.00 0.00 58.31 57.79 1iqo n LYS 75 Cb 0.10 0.00 -0.06 0.00 0.00 0.00 0.00 35.03 35.07 1iqo n LYS 75 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.40 176.51 1iqo n ILE 76 N 0.00 0.88 -0.39 3.15 5.41 -0.96 -4.70 119.36 122.75 1iqo n ILE 76 Ca 0.00 -0.22 -0.26 0.00 1.00 0.00 0.00 62.75 63.28 1iqo n ILE 76 Cb 0.00 -0.00 0.23 0.00 -0.71 0.00 0.00 39.64 39.16 1iqo n ILE 76 CO 0.00 0.00 0.00 0.59 0.00 0.00 0.00 176.55 177.14 1iqo n ASN 77 N 1.72 -3.41 0.14 4.38 4.13 -1.26 -3.75 115.26 117.20 1iqo n ASN 77 Ca 0.19 -0.58 0.03 0.00 1.68 0.00 0.00 54.58 55.90 1iqo n ASN 77 Cb 0.15 -0.94 0.03 0.00 -1.54 0.00 0.00 39.78 37.48 1iqo n ASN 77 CO 0.00 0.00 0.00 0.45 0.28 0.00 0.00 177.26 177.99 1iqo h HIS 78 N -3.12 0.00 -5.63 3.10 3.86 -1.90 -3.45 115.15 108.01 1iqo h HIS 78 Ca -0.37 0.00 -0.31 0.00 -1.16 0.00 0.00 60.37 58.53 1iqo h HIS 78 Cb 1.12 0.00 0.17 0.00 1.06 0.00 0.00 27.41 29.76 1iqo h HIS 78 CO -2.94 0.46 -0.82 0.25 0.86 0.00 0.00 177.93 175.74 1iqo n THR 79 N -3.17 -7.14 -4.45 2.45 -2.24 -1.26 -4.22 114.28 94.25 1iqo n THR 79 Ca 0.01 -0.86 0.00 0.00 -2.27 0.00 0.00 64.05 60.93 1iqo n THR 79 Cb 0.73 -5.48 0.00 0.00 -2.10 0.00 0.00 70.33 63.48 1iqo n THR 79 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1iqo n THR 80 N -3.79 0.00 1.04 4.28 -2.24 -1.26 -3.03 114.28 109.28 1iqo n THR 80 Ca -0.20 0.00 0.10 0.00 -2.27 0.00 0.00 64.05 61.69 1iqo n THR 80 Cb 0.65 0.00 0.54 0.00 -2.10 0.00 0.00 70.33 69.42 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 0.00 -0.31 3.22 4.77 -1.26 -3.61 117.00 119.81 1iqo n LEU 81 Ca 0.00 0.24 0.31 0.00 -0.03 0.00 0.00 56.01 56.53 1iqo n LEU 81 Cb 0.00 -0.24 0.69 0.00 -2.33 0.00 0.00 43.42 41.54 1iqo n LEU 81 CO 0.00 -0.08 1.29 0.50 -1.33 0.00 0.00 177.39 177.77 1iqo h LYS 82 N 0.00 0.10 -0.28 3.23 3.11 -1.82 0.66 116.57 121.57 1iqo h LYS 82 Ca 0.00 -0.01 -0.05 0.00 -2.81 0.00 0.00 60.65 57.79 1iqo h LYS 82 Cb 0.16 -0.02 -0.02 0.00 -1.00 0.00 0.00 32.23 31.36 1iqo h LYS 82 CO 0.00 0.06 -0.03 -0.84 -2.81 0.00 0.00 179.45 175.83 1iqo h ILE 83 N 0.10 1.19 -0.58 2.00 3.07 -1.72 -2.32 117.51 119.24 1iqo h ILE 83 Ca 0.56 -0.75 -0.09 0.00 1.55 0.00 0.00 64.86 66.13 1iqo h ILE 83 Cb 2.01 1.01 -0.02 0.00 -0.27 0.00 0.00 36.82 39.55 1iqo h ILE 83 CO -0.09 0.25 0.01 -0.07 -1.05 0.00 0.00 178.15 177.21 1iqo h LEU 84 N 0.42 1.00 -1.92 0.16 4.07 0.06 -2.09 115.31 117.00 1iqo h LEU 84 Ca 0.09 -0.30 -0.02 0.00 0.08 0.00 0.00 57.88 57.72 1iqo h LEU 84 Cb 0.32 -0.27 -0.00 0.00 1.08 0.00 0.00 40.66 41.79 1iqo h LEU 84 CO 0.01 1.06 -0.12 -0.08 -1.08 0.00 0.00 178.44 178.23 1iqo h GLU 85 N 0.92 0.00 -0.02 1.13 4.57 -1.29 0.83 114.58 120.71 1iqo h GLU 85 Ca 0.17 0.00 -0.22 0.00 -1.18 0.00 0.00 59.36 58.13 1iqo h GLU 85 Cb 0.54 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.13 1iqo h GLU 85 CO 0.03 0.12 -0.89 0.78 -1.18 0.00 0.00 179.01 177.87 1iqo h GLY 86 N 0.77 0.47 -5.00 1.92 0.00 -0.95 -3.44 103.07 96.84 1iqo h GLY 86 Ca -0.00 -0.77 -0.01 0.00 0.00 0.00 0.00 47.33 46.55 1iqo h GLY 86 CO 0.02 0.69 -0.08 -2.39 0.00 0.00 0.00 176.54 174.77 1iqo n HIS 87 N -3.77 -0.53 -0.97 5.60 1.44 -0.93 -5.12 115.22 110.94 1iqo n HIS 87 Ca -0.06 -0.64 0.00 0.00 -2.01 0.00 0.00 57.72 55.01 1iqo n HIS 87 Cb 0.80 1.07 0.00 0.00 0.12 0.00 0.00 29.99 31.99 1iqo n HIS 87 CO 0.00 0.00 0.00 -0.11 -2.81 0.00 0.00 176.34 173.42