#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 -2.02 -2.64 1.47 7.35 -1.26 -3.12 117.46 117.24 1iqo n PHE 2 Ca 0.00 0.57 -0.01 0.00 -0.76 0.00 0.00 57.45 57.25 1iqo n PHE 2 Cb 0.00 -4.11 0.01 0.00 0.35 0.00 0.00 39.48 35.73 1iqo n PHE 2 CO 0.00 0.00 0.00 -0.89 -0.76 0.00 0.00 176.76 175.11 1iqo n ILE 3 N -4.41 -7.55 -2.84 -2.13 2.08 -1.26 -4.93 119.36 98.32 1iqo n ILE 3 Ca -0.07 -0.26 -0.43 0.00 0.56 0.00 0.00 62.75 62.55 1iqo n ILE 3 Cb 0.59 -5.93 -0.02 0.00 -0.75 0.00 0.00 39.64 33.53 1iqo n ILE 3 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1iqo s ALA 4 N -3.03 3.32 0.38 -1.39 0.00 -1.18 -5.00 121.76 114.86 1iqo s ALA 4 Ca 0.04 -2.76 0.05 0.00 0.00 0.00 0.00 51.96 49.29 1iqo s ALA 4 Cb -0.00 -4.19 -0.00 0.00 0.00 0.00 0.00 23.12 18.93 1iqo s ALA 4 CO 0.54 -3.10 0.54 0.95 0.00 0.00 0.00 175.76 174.70 1iqo s THR 5 N 3.06 3.89 0.28 0.00 -4.23 -1.26 -4.87 115.64 112.50 1iqo s THR 5 Ca 0.38 -0.86 -0.16 0.00 -1.18 0.00 0.00 61.69 59.88 1iqo s THR 5 Cb -0.03 -3.37 0.01 0.00 1.34 0.00 0.00 72.50 70.45 1iqo s THR 5 CO -0.07 -0.18 0.60 -1.48 -0.54 0.00 0.00 174.62 172.95 1iqo s LEU 6 N -4.31 0.11 0.00 4.79 -0.00 -1.08 -5.06 118.68 113.11 1iqo s LEU 6 Ca 0.47 -0.86 0.01 0.00 -0.00 0.00 0.00 54.13 53.75 1iqo s LEU 6 Cb -0.10 2.22 -0.00 0.00 -0.00 0.00 0.00 46.19 48.31 1iqo s LEU 6 CO 0.33 -1.28 -0.02 -1.59 -0.00 0.00 0.00 176.35 173.79 1iqo s LYS 7 N -3.76 0.17 -0.31 1.48 0.00 -1.26 -2.04 119.74 114.02 1iqo s LYS 7 Ca 0.18 -0.11 -0.09 0.00 0.00 0.00 0.00 55.97 55.95 1iqo s LYS 7 Cb -0.03 -0.14 -0.01 0.00 0.00 0.00 0.00 37.83 37.66 1iqo s LYS 7 CO 0.09 0.04 0.14 0.20 0.00 0.00 0.00 175.35 175.82 1iqo s GLY 8 N -0.15 1.86 -0.43 0.59 0.00 -0.02 -5.01 107.32 104.16 1iqo s GLY 8 Ca -0.00 -1.38 -0.19 0.00 0.00 0.00 0.00 44.72 43.14 1iqo s GLY 8 CO -0.00 0.69 0.54 -0.42 0.00 0.00 0.00 173.10 173.90 1iqo s ILE 9 N 1.61 4.96 0.11 0.90 1.01 -1.26 -2.51 121.20 126.01 1iqo s ILE 9 Ca 0.04 -0.15 -0.05 0.00 0.00 0.00 0.00 60.65 60.50 1iqo s ILE 9 Cb -0.17 -4.12 -0.02 0.00 0.01 0.00 0.00 42.46 38.15 1iqo s ILE 9 CO 0.06 -0.52 0.12 0.72 0.00 0.00 0.00 174.94 175.33 1iqo s PHE 10 N 2.46 0.48 0.13 3.97 -0.12 -1.15 -4.84 117.98 118.91 1iqo s PHE 10 Ca 0.17 -0.91 -0.14 0.00 -0.05 0.00 0.00 56.93 56.00 1iqo s PHE 10 Cb -0.16 -0.25 0.02 0.00 -0.63 0.00 0.00 43.02 42.01 1iqo s PHE 10 CO 0.16 -0.54 0.35 0.95 -0.05 0.00 0.00 175.22 176.10 1iqo s THR 11 N -3.95 0.08 0.55 -4.49 -4.23 -0.92 -2.25 115.64 100.43 1iqo s THR 11 Ca 0.13 -0.80 0.36 0.00 -1.18 0.00 0.00 61.69 60.21 1iqo s THR 11 Cb 0.06 -1.30 0.55 0.00 1.34 0.00 0.00 72.50 73.14 1iqo s THR 11 CO -0.05 -0.37 1.81 0.25 -0.54 0.00 0.00 174.62 175.72 1iqo h LEU 12 N 2.45 0.00 0.00 4.79 6.46 -1.83 1.47 115.31 128.65 1iqo h LEU 12 Ca -0.33 0.00 -0.37 0.00 -0.12 0.00 0.00 57.88 57.05 1iqo h LEU 12 Cb 1.24 0.00 -0.07 0.00 -0.73 0.00 0.00 40.66 41.10 1iqo h LEU 12 CO 0.48 0.00 -2.41 2.29 -0.62 0.00 0.00 178.44 178.18 1iqo n LYS 13 N -4.16 0.69 -1.35 1.25 0.00 -1.26 -4.31 118.16 109.02 1iqo n LYS 13 Ca 0.25 0.05 -0.35 0.00 -0.00 0.00 0.00 58.31 58.26 1iqo n LYS 13 Cb 1.22 -1.52 0.08 0.00 -0.00 0.00 0.00 35.03 34.81 1iqo n LYS 13 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 1iqo n ASP 14 N -2.95 7.69 -1.51 -5.58 2.03 0.46 -5.03 116.55 111.67 1iqo n ASP 14 Ca -0.38 -3.79 -0.16 0.00 0.52 0.00 0.00 54.79 50.99 1iqo n ASP 14 Cb 1.09 -0.98 -0.01 0.00 -0.72 0.00 0.00 41.12 40.51 1iqo n ASP 14 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 1iqo n LEU 15 N -0.91 -0.71 -4.51 -2.67 4.32 0.48 -2.17 117.00 110.82 1iqo n LEU 15 Ca 0.63 0.34 -0.29 0.00 -0.02 0.00 0.00 56.01 56.67 1iqo n LEU 15 Cb 0.65 -0.32 -0.16 0.00 -1.62 0.00 0.00 43.42 41.98 1iqo n LEU 15 CO 0.79 -1.24 2.02 -2.65 -1.22 0.00 0.00 177.39 175.09 1iqo n PRO 16 N 0.40 0.18 0.00 3.23 -0.02 -1.26 -4.69 135.00 132.84 1iqo n PRO 16 Ca 0.05 -0.11 0.07 0.00 -2.02 0.00 0.00 63.50 61.49 1iqo n PRO 16 Cb 0.11 -1.78 0.36 0.00 -0.02 0.00 0.00 33.50 32.18 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 7.31 0.21 -0.01 -0.52 2.13 -1.26 -2.92 120.64 125.57 1iqo n GLU 17 Ca 0.61 0.15 -0.04 0.00 0.66 0.00 0.00 57.16 58.54 1iqo n GLU 17 Cb 0.18 -1.50 0.19 0.00 0.27 0.00 0.00 31.44 30.59 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 0.56 0.00 5.31 5.08 -1.96 -3.47 114.58 120.10 1iqo h GLU 18 Ca 0.00 -0.19 0.00 0.00 -1.00 0.00 0.00 59.36 58.17 1iqo h GLU 18 Cb 0.13 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.34 1iqo h GLU 18 CO 0.00 0.72 0.00 0.34 -1.00 0.00 0.00 179.01 179.07 1iqo n PHE 19 N -4.15 -0.15 -4.20 4.33 -0.00 -1.15 -5.15 117.46 107.00 1iqo n PHE 19 Ca 0.00 0.00 -0.17 0.00 -0.00 0.00 0.00 57.45 57.28 1iqo n PHE 19 Cb 0.38 0.03 -0.15 0.00 -0.00 0.00 0.00 39.48 39.74 1iqo n PHE 19 CO 0.00 0.00 0.00 0.50 -0.00 0.00 0.00 176.76 177.26 1iqo s ARG 20 N -0.12 0.56 -0.47 -4.13 3.52 -1.25 -5.03 118.95 112.03 1iqo s ARG 20 Ca 0.00 -0.19 -0.30 0.00 -0.13 0.00 0.00 55.73 55.11 1iqo s ARG 20 Cb 0.00 -0.56 -0.10 0.00 -1.56 0.00 0.00 34.95 32.73 1iqo s ARG 20 CO 0.00 0.08 2.36 -2.30 -0.81 0.00 0.00 175.30 174.63 1iqo n PRO 21 N 3.20 1.08 -0.08 5.12 -0.02 -1.26 -4.78 135.00 138.25 1iqo n PRO 21 Ca -0.16 0.18 -0.07 0.00 -2.02 0.00 0.00 63.50 61.43 1iqo n PRO 21 Cb 0.56 -2.85 -0.16 0.00 -0.02 0.00 0.00 33.50 31.03 1iqo n PRO 21 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 1iqo n PHE 22 N 12.61 0.00 0.61 6.00 7.35 -1.26 -4.43 117.46 138.34 1iqo n PHE 22 Ca 0.41 0.00 0.10 0.00 -0.76 0.00 0.00 57.45 57.20 1iqo n PHE 22 Cb 0.36 -0.91 -0.14 0.00 0.35 0.00 0.00 39.48 39.15 1iqo n PHE 22 CO 0.00 0.00 0.00 1.55 -0.76 0.00 0.00 176.76 177.55 1iqo n VAL 23 N -2.66 0.00 -0.16 -2.13 3.14 -1.26 -4.37 118.33 110.89 1iqo n VAL 23 Ca -0.28 -0.19 0.29 0.00 -2.96 0.00 0.00 64.34 61.20 1iqo n VAL 23 Cb 1.06 0.62 0.70 0.00 -1.06 0.00 0.00 33.84 35.17 1iqo n VAL 23 CO 0.00 0.00 0.00 -0.78 -6.46 0.00 0.00 176.83 169.59 1iqo h ASP 24 N 0.00 0.00 -0.80 6.55 3.58 -1.94 0.42 116.42 124.24 1iqo h ASP 24 Ca 0.00 0.00 -0.04 0.00 0.42 0.00 0.00 57.03 57.41 1iqo h ASP 24 Cb 0.69 0.00 -0.04 0.00 1.72 0.00 0.00 39.33 41.70 1iqo h ASP 24 CO 0.00 0.00 0.35 0.10 -2.88 0.00 0.00 179.24 176.81 1iqo h TYR 25 N 0.00 1.18 0.00 0.28 -0.00 -1.87 -1.56 116.97 115.00 1iqo h TYR 25 Ca 0.42 -0.07 -0.02 0.00 -0.00 0.00 0.00 58.73 59.07 1iqo h TYR 25 Cb 1.93 -0.36 -0.00 0.00 -0.00 0.00 0.00 36.73 38.30 1iqo h TYR 25 CO 0.00 0.87 -0.08 0.87 -0.00 0.00 0.00 178.16 179.83 1iqo h LYS 26 N 1.14 0.00 -0.20 0.10 1.79 -0.46 -1.63 116.57 117.31 1iqo h LYS 26 Ca 0.27 0.00 -0.20 0.00 -2.18 0.00 0.00 60.65 58.54 1iqo h LYS 26 Cb 0.16 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.82 1iqo h LYS 26 CO -0.03 0.08 -0.66 0.00 -1.08 0.00 0.00 179.45 177.76 1iqo h ALA 27 N 1.92 0.45 0.00 3.86 0.00 -1.25 -3.13 119.26 121.11 1iqo h ALA 27 Ca -0.00 -0.56 0.00 0.00 0.00 0.00 0.00 54.91 54.35 1iqo h ALA 27 Cb 0.23 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1iqo h ALA 27 CO 0.01 0.69 0.00 0.78 0.00 0.00 0.00 179.25 180.73 1iqo h GLY 28 N 0.75 0.00 0.00 0.00 0.00 -1.19 -3.41 103.07 99.22 1iqo h GLY 28 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.31 1iqo h GLY 28 CO 0.14 0.00 0.00 -0.10 0.00 0.00 0.00 176.54 176.58 1iqo n LEU 29 N -3.00 0.00 -0.09 3.11 0.00 -0.68 0.80 117.00 117.13 1iqo n LEU 29 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 56.01 56.05 1iqo n LEU 29 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.93 1iqo n LEU 29 CO 0.33 0.00 0.00 1.21 0.00 0.00 0.00 177.39 178.93 1iqo n GLU 30 N 0.00 0.00 -4.18 1.96 4.07 -1.26 -4.55 120.64 116.67 1iqo n GLU 30 Ca 0.00 0.00 -0.34 0.00 -0.06 0.00 0.00 57.16 56.76 1iqo n GLU 30 Cb 0.00 -0.11 -0.03 0.00 -0.06 0.00 0.00 31.44 31.24 1iqo n GLU 30 CO 0.00 0.00 0.00 0.36 -0.06 0.00 0.00 177.13 177.43 1iqo n LYS 31 N -0.09 -3.08 0.00 5.31 2.85 0.13 -4.79 118.16 118.49 1iqo n LYS 31 Ca 0.00 0.36 0.07 0.00 -1.05 0.00 0.00 58.31 57.69 1iqo n LYS 31 Cb 0.03 -4.93 0.34 0.00 -0.65 0.00 0.00 35.03 29.83 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 -4.39 0.16 -0.23 -1.58 4.81 0.24 -4.99 118.16 112.18 1iqo n LYS 32 Ca -0.01 0.17 0.03 0.00 -0.87 0.00 0.00 58.31 57.63 1iqo n LYS 32 Cb 0.53 -1.50 -0.01 0.00 0.02 0.00 0.00 35.03 34.08 1iqo n LYS 32 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 1iqo n LYS 33 N -1.33 -0.46 -3.59 1.64 5.02 -1.26 -4.54 118.16 113.64 1iqo n LYS 33 Ca 0.06 0.30 -0.38 0.00 -2.02 0.00 0.00 58.31 56.27 1iqo n LYS 33 Cb 0.12 -0.56 -0.06 0.00 -0.02 0.00 0.00 35.03 34.52 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 5.69 -0.11 -0.35 1.02 -1.26 -4.54 118.68 119.13 1iqo s LEU 34 Ca 0.00 -3.37 -0.07 0.00 0.02 0.00 0.00 54.13 50.71 1iqo s LEU 34 Cb 0.00 -1.96 -0.04 0.00 0.02 0.00 0.00 46.19 44.21 1iqo s LEU 34 CO 0.00 -0.29 0.14 -0.44 0.02 0.00 0.00 176.35 175.78 1iqo s SER 35 N 0.49 6.35 0.43 2.29 0.01 -1.26 -4.97 113.70 117.03 1iqo s SER 35 Ca 0.24 0.45 0.27 0.00 1.31 0.00 0.00 55.95 58.22 1iqo s SER 35 Cb -0.11 -2.05 1.46 0.00 0.21 0.00 0.00 66.02 65.53 1iqo s SER 35 CO -0.09 0.40 1.81 0.44 0.41 0.00 0.00 173.24 176.21 1iqo h ASP 36 N 4.94 0.00 0.00 2.44 3.32 -1.98 -1.11 116.42 124.03 1iqo h ASP 36 Ca -0.55 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.50 1iqo h ASP 36 Cb 1.23 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.78 1iqo h ASP 36 CO 0.58 0.00 0.00 -0.67 -1.72 0.00 0.00 179.24 177.43 1iqo n ASP 37 N -2.47 0.00 -4.40 6.45 -0.08 -1.26 -4.65 116.55 110.14 1iqo n ASP 37 Ca -0.02 -1.23 -0.44 0.00 -1.51 0.00 0.00 54.79 51.58 1iqo n ASP 37 Cb 0.09 0.00 -0.06 0.00 2.34 0.00 0.00 41.12 43.50 1iqo n ASP 37 CO 0.00 0.00 0.00 -1.81 0.12 0.00 0.00 177.20 175.51 1iqo s ASP 38 N -1.68 6.19 -0.03 1.67 1.01 -0.42 -5.00 116.67 118.42 1iqo s ASP 38 Ca 0.28 -1.24 0.05 0.00 0.71 0.00 0.00 52.55 52.35 1iqo s ASP 38 Cb 0.13 -2.27 -0.01 0.00 1.01 0.00 0.00 42.92 41.78 1iqo s ASP 38 CO 0.22 -0.92 -0.18 -0.70 0.21 0.00 0.00 175.17 173.79 1iqo s GLU 39 N 2.39 1.74 0.04 8.23 -6.30 -1.26 -2.58 118.70 120.96 1iqo s GLU 39 Ca 0.11 -0.64 0.02 0.00 -2.50 0.00 0.00 54.97 51.95 1iqo s GLU 39 Cb -0.23 -1.56 -0.02 0.00 0.00 0.00 0.00 34.13 32.32 1iqo s GLU 39 CO 0.08 0.30 -0.07 0.42 0.02 0.00 0.00 175.26 176.01 1iqo s ILE 40 N -0.13 0.48 -0.31 -3.70 1.09 -0.95 -1.89 121.20 115.78 1iqo s ILE 40 Ca -0.00 -1.05 -0.01 0.00 -1.10 0.00 0.00 60.65 58.48 1iqo s ILE 40 Cb -0.10 -0.56 0.13 0.00 -1.06 0.00 0.00 42.46 40.87 1iqo s ILE 40 CO 0.01 -0.40 0.24 0.00 -0.10 0.00 0.00 174.94 174.70 1iqo s ALA 41 N -1.39 0.15 0.12 9.38 0.00 -0.75 -2.91 121.76 126.36 1iqo s ALA 41 Ca -0.11 -0.97 -0.27 0.00 0.00 0.00 0.00 51.96 50.61 1iqo s ALA 41 Cb -0.10 -1.67 -0.07 0.00 0.00 0.00 0.00 23.12 21.28 1iqo s ALA 41 CO 0.00 -1.84 0.84 0.42 0.00 0.00 0.00 175.76 175.18 1iqo s ILE 42 N 1.88 4.49 0.16 0.00 1.01 -1.04 -3.00 121.20 124.70 1iqo s ILE 42 Ca 0.12 1.82 0.11 0.00 0.00 0.00 0.00 60.65 62.70 1iqo s ILE 42 Cb -0.17 -4.20 -0.04 0.00 0.01 0.00 0.00 42.46 38.06 1iqo s ILE 42 CO -0.23 0.41 -0.22 -0.63 0.00 0.00 0.00 174.94 174.27 1iqo s ILE 43 N -0.48 2.51 -0.05 2.92 -1.09 -1.05 -0.84 121.20 123.13 1iqo s ILE 43 Ca 0.40 -1.83 -0.02 0.00 -2.23 0.00 0.00 60.65 56.97 1iqo s ILE 43 Cb -0.23 -2.18 0.03 0.00 -1.58 0.00 0.00 42.46 38.51 1iqo s ILE 43 CO 0.27 -0.03 0.08 -0.94 -1.23 0.00 0.00 174.94 173.09 1iqo s SER 44 N -2.44 0.85 -0.07 3.58 1.04 -0.86 -2.84 113.70 112.95 1iqo s SER 44 Ca 0.19 0.13 -0.00 0.00 0.48 0.00 0.00 55.95 56.74 1iqo s SER 44 Cb -0.09 -0.04 -0.04 0.00 0.10 0.00 0.00 66.02 65.95 1iqo s SER 44 CO 0.09 -0.23 -0.07 2.30 0.98 0.00 0.00 173.24 176.32 1iqo n ILE 45 N 5.08 0.38 -2.32 -1.02 -5.35 -1.26 -2.64 119.36 112.22 1iqo n ILE 45 Ca -0.08 -0.13 -0.00 0.00 -0.27 0.00 0.00 62.75 62.26 1iqo n ILE 45 Cb 0.50 -0.95 0.01 0.00 -1.74 0.00 0.00 39.64 37.46 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 -2.85 0.11 -2.25 6.28 0.00 -1.26 -4.73 118.16 113.46 1iqo n LYS 46 Ca -0.12 -0.12 -0.36 0.00 0.00 0.00 0.00 58.31 57.71 1iqo n LYS 46 Cb 0.62 0.14 0.02 0.00 0.00 0.00 0.00 35.03 35.80 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 -0.12 5.75 3.41 3.14 0.00 0.93 -4.91 105.19 113.39 1iqo n GLY 47 Ca -0.02 -2.59 -0.14 0.00 0.00 0.00 0.00 46.02 43.27 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 -0.42 -6.79 -2.57 2.61 -2.24 -1.26 -2.16 114.28 101.45 1iqo n THR 48 Ca 0.48 -0.06 -0.20 0.00 -2.27 0.00 0.00 64.05 61.99 1iqo n THR 48 Cb 0.35 -4.96 0.01 0.00 -2.10 0.00 0.00 70.33 63.63 1iqo n THR 48 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1iqo n GLN 49 N -2.01 -2.60 -3.21 -0.78 1.13 -1.26 -4.90 117.38 103.74 1iqo n GLN 49 Ca -0.15 0.93 0.02 0.00 -1.94 0.00 0.00 57.00 55.87 1iqo n GLN 49 Cb 0.60 -5.58 0.01 0.00 0.11 0.00 0.00 30.24 25.37 1iqo n GLN 49 CO 0.00 0.00 0.00 -1.13 -1.44 0.00 0.00 177.06 174.49 1iqo n SER 50 N -1.95 -0.68 0.00 1.08 3.41 -0.92 -5.05 113.62 109.52 1iqo n SER 50 Ca -0.19 -1.08 0.00 0.00 -0.26 0.00 0.00 58.87 57.33 1iqo n SER 50 Cb 0.66 1.05 0.00 0.00 -0.26 0.00 0.00 64.21 65.65 1iqo n SER 50 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1iqo n ASN 51 N -0.67 0.00 -4.03 4.04 5.15 -1.21 -0.05 115.26 118.49 1iqo n ASN 51 Ca 0.03 0.00 -0.20 0.00 -0.60 0.00 0.00 54.58 53.81 1iqo n ASN 51 Cb 0.36 0.00 -0.09 0.00 -0.53 0.00 0.00 39.78 39.52 1iqo n ASN 51 CO 0.00 0.00 0.00 -1.00 1.40 0.00 0.00 177.26 177.66 1iqo s HIS 52 N 0.00 1.67 -0.19 1.20 3.76 -1.13 -5.01 115.29 115.60 1iqo s HIS 52 Ca 0.00 -1.33 -0.04 0.00 -0.15 0.00 0.00 55.06 53.53 1iqo s HIS 52 Cb 0.00 -0.94 0.09 0.00 1.11 0.00 0.00 32.58 32.84 1iqo s HIS 52 CO 0.00 -0.45 0.30 0.08 -0.85 0.00 0.00 174.74 173.82 1iqo s VAL 53 N -3.50 -0.47 0.35 -0.90 1.01 -1.26 -2.53 120.40 113.09 1iqo s VAL 53 Ca 0.34 0.08 0.08 0.00 0.00 0.00 0.00 61.98 62.47 1iqo s VAL 53 Cb 0.05 -0.62 -0.03 0.00 0.00 0.00 0.00 36.38 35.77 1iqo s VAL 53 CO 0.17 -0.03 0.25 -0.76 0.00 0.00 0.00 175.10 174.73 1iqo s LEU 54 N 2.45 3.46 -0.26 3.92 1.43 -1.16 -5.01 118.68 123.51 1iqo s LEU 54 Ca 0.05 -0.62 0.02 0.00 -1.03 0.00 0.00 54.13 52.54 1iqo s LEU 54 Cb -0.14 -2.02 0.05 0.00 0.03 0.00 0.00 46.19 44.11 1iqo s LEU 54 CO -0.12 -0.36 -0.10 0.12 0.23 0.00 0.00 176.35 176.12 1iqo s PHE 55 N -2.37 3.19 0.31 0.29 2.19 -1.26 -1.80 117.98 118.53 1iqo s PHE 55 Ca 0.40 -2.11 -0.29 0.00 0.33 0.00 0.00 56.93 55.27 1iqo s PHE 55 Cb -0.04 -1.97 -0.10 0.00 -1.31 0.00 0.00 43.02 39.60 1iqo s PHE 55 CO 0.25 -0.85 1.36 -0.51 1.83 0.00 0.00 175.22 177.31 1iqo s LEU 56 N 1.17 4.40 0.00 6.12 1.02 -0.79 -4.96 118.68 125.64 1iqo s LEU 56 Ca -0.06 2.72 0.00 0.00 0.02 0.00 0.00 54.13 56.81 1iqo s LEU 56 Cb -0.19 -3.64 0.00 0.00 0.02 0.00 0.00 46.19 42.38 1iqo s LEU 56 CO -0.05 -0.62 0.00 -1.20 0.02 0.00 0.00 176.35 174.50 1iqo n SER 57 N 1.23 0.00 0.00 2.29 7.64 -1.26 -4.22 113.62 119.30 1iqo n SER 57 Ca 0.02 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.90 1iqo n SER 57 Cb 0.41 -0.19 0.00 0.00 -1.01 0.00 0.00 64.21 63.42 1iqo n SER 57 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1iqo n SER 58 N -1.88 0.00 -1.83 6.43 2.88 -1.26 -4.97 113.62 112.99 1iqo n SER 58 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1iqo n SER 58 Cb 0.00 -0.05 0.00 0.00 -0.75 0.00 0.00 64.21 63.41 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 -1.51 -4.24 -2.32 0.66 9.36 -1.26 -4.97 117.16 112.89 1iqo n TYR 59 Ca 0.00 2.55 -0.05 0.00 3.32 0.00 0.00 57.90 63.73 1iqo n TYR 59 Cb 0.00 -3.45 0.06 0.00 -0.63 0.00 0.00 39.34 35.32 1iqo n TYR 59 CO 0.00 0.00 0.00 0.09 0.22 0.00 0.00 176.86 177.17 1iqo n ASN 60 N 1.62 2.39 -2.44 2.98 4.13 -1.26 -4.95 115.26 117.73 1iqo n ASN 60 Ca 0.00 -2.83 -0.21 0.00 1.68 0.00 0.00 54.58 53.22 1iqo n ASN 60 Cb 0.00 -0.41 -0.00 0.00 -1.54 0.00 0.00 39.78 37.83 1iqo n ASN 60 CO 0.00 0.00 0.00 -0.24 0.28 0.00 0.00 177.26 177.30 1iqo n SER 61 N -0.48 -5.89 -4.88 6.41 2.88 -1.26 -4.98 113.62 105.42 1iqo n SER 61 Ca 0.19 -0.06 -0.35 0.00 -1.33 0.00 0.00 58.87 57.33 1iqo n SER 61 Cb 0.90 -4.87 -0.05 0.00 -0.75 0.00 0.00 64.21 59.44 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 -3.05 5.33 0.56 2.46 -7.23 -1.26 -4.94 120.40 112.27 1iqo s VAL 62 Ca 0.04 0.16 0.24 0.00 -1.81 0.00 0.00 61.98 60.61 1iqo s VAL 62 Cb -0.02 -3.55 0.33 0.00 0.56 0.00 0.00 36.38 33.70 1iqo s VAL 62 CO 0.05 0.40 2.15 -0.78 -0.31 0.00 0.00 175.10 176.61 1iqo h ASP 63 N 4.11 0.00 -0.00 4.85 3.58 -1.97 0.89 116.42 127.88 1iqo h ASP 63 Ca -0.51 0.00 -0.04 0.00 0.42 0.00 0.00 57.03 56.90 1iqo h ASP 63 Cb 1.20 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 42.24 1iqo h ASP 63 CO 0.65 0.00 -0.09 -0.08 -2.88 0.00 0.00 179.24 176.84 1iqo h GLU 64 N 0.00 0.23 0.00 0.28 4.81 -2.00 -2.54 114.58 115.35 1iqo h GLU 64 Ca 0.05 -0.04 -0.24 0.00 -0.13 0.00 0.00 59.36 58.99 1iqo h GLU 64 Cb 0.23 -0.04 -0.05 0.00 0.63 0.00 0.00 28.75 29.53 1iqo h GLU 64 CO -0.00 0.33 -1.98 -0.89 -0.73 0.00 0.00 179.01 175.74 1iqo n ILE 65 N -4.32 0.92 -0.24 2.32 5.41 -0.25 -4.10 119.36 119.10 1iqo n ILE 65 Ca -0.01 -0.60 -0.04 0.00 1.00 0.00 0.00 62.75 63.10 1iqo n ILE 65 Cb 0.23 -0.54 0.06 0.00 -0.71 0.00 0.00 39.64 38.69 1iqo n ILE 65 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 176.55 176.46 1iqo h ARG 66 N 0.00 0.83 0.00 0.38 1.12 0.76 -1.90 114.38 115.58 1iqo h ARG 66 Ca -0.36 -0.05 -0.14 0.00 -1.11 0.00 0.00 59.98 58.32 1iqo h ARG 66 Cb 1.80 -0.19 -0.02 0.00 -0.01 0.00 0.00 29.97 31.55 1iqo h ARG 66 CO 0.02 0.55 -0.67 -0.22 -3.11 0.00 0.00 179.97 176.54 1iqo h LYS 67 N 0.86 0.00 -0.53 0.20 3.64 -1.68 -2.95 116.57 116.10 1iqo h LYS 67 Ca 0.26 0.00 0.03 0.00 -1.27 0.00 0.00 60.65 59.67 1iqo h LYS 67 Cb -0.03 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 31.75 1iqo h LYS 67 CO -0.09 0.67 0.30 1.49 -2.27 0.00 0.00 179.45 179.56 1iqo h GLU 68 N 0.00 0.58 0.40 1.90 4.81 -1.51 1.00 114.58 121.76 1iqo h GLU 68 Ca -0.01 -0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.17 1iqo h GLU 68 Cb 1.20 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 30.46 1iqo h GLU 68 CO 0.09 0.38 -0.19 1.25 -0.73 0.00 0.00 179.01 179.81 1iqo h LEU 69 N 0.60 -0.45 -1.29 1.64 5.85 -1.44 -2.05 115.31 118.16 1iqo h LEU 69 Ca 0.22 -0.11 0.25 0.00 0.84 0.00 0.00 57.88 59.08 1iqo h LEU 69 Cb 0.06 0.12 -0.10 0.00 0.37 0.00 0.00 40.66 41.11 1iqo h LEU 69 CO -0.11 -0.04 0.65 -0.08 -0.34 0.00 0.00 178.44 178.52 1iqo h GLU 70 N -0.99 0.44 0.32 1.25 4.81 -1.46 0.23 114.58 119.19 1iqo h GLU 70 Ca -0.05 -0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.13 1iqo h GLU 70 Cb 0.54 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.83 1iqo h GLU 70 CO 0.09 0.29 -0.16 0.93 -0.73 0.00 0.00 179.01 179.44 1iqo h GLU 71 N 0.45 -0.42 0.00 1.92 5.08 -0.73 -2.35 114.58 118.53 1iqo h GLU 71 Ca 0.59 0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.98 1iqo h GLU 71 Cb 1.40 0.10 -0.00 0.00 0.50 0.00 0.00 28.75 30.74 1iqo h GLU 71 CO -0.32 -0.18 -0.02 0.00 -1.00 0.00 0.00 179.01 177.49 1iqo h ALA 72 N 0.02 1.26 -0.28 3.43 0.00 -0.17 0.11 119.26 123.62 1iqo h ALA 72 Ca -0.04 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 1iqo h ALA 72 Cb 0.44 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 1iqo h ALA 72 CO 0.07 0.02 0.12 0.78 0.00 0.00 0.00 179.25 180.24 1iqo h GLY 73 N 0.22 0.44 -5.11 0.00 0.00 -0.12 -3.40 103.07 95.10 1iqo h GLY 73 Ca -0.00 -0.24 -0.27 0.00 0.00 0.00 0.00 47.33 46.83 1iqo h GLY 73 CO 0.00 0.22 -0.53 0.00 0.00 0.00 0.00 176.54 176.24 1iqo n ALA 74 N -2.26 -0.56 -1.97 3.60 0.00 -0.94 -4.74 120.51 113.65 1iqo n ALA 74 Ca -0.02 -1.67 0.00 0.00 0.00 0.00 0.00 53.44 51.75 1iqo n ALA 74 Cb 0.12 -1.16 0.00 0.00 0.00 0.00 0.00 19.45 18.42 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 0.54 0.00 -1.12 0.00 4.76 0.33 -4.82 118.16 117.85 1iqo n LYS 75 Ca 0.08 0.00 -0.14 0.00 -2.87 0.00 0.00 58.31 55.39 1iqo n LYS 75 Cb 0.68 0.00 0.25 0.00 -1.84 0.00 0.00 35.03 34.13 1iqo n LYS 75 CO 0.00 0.00 0.00 -0.89 -1.37 0.00 0.00 177.40 175.14 1iqo n ILE 76 N 0.00 3.06 -2.53 -0.18 5.41 -1.26 -4.90 119.36 118.96 1iqo n ILE 76 Ca 0.00 -1.77 -0.05 0.00 1.00 0.00 0.00 62.75 61.93 1iqo n ILE 76 Cb 0.00 -0.41 -0.00 0.00 -0.71 0.00 0.00 39.64 38.52 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 -0.57 -2.08 -2.48 4.38 0.23 -1.26 -3.60 115.26 109.87 1iqo n ASN 77 Ca 0.49 0.35 -0.02 0.00 -0.53 0.00 0.00 54.58 54.86 1iqo n ASN 77 Cb 1.51 -1.86 -0.02 0.00 -2.08 0.00 0.00 39.78 37.33 1iqo n ASN 77 CO 0.00 0.00 0.00 1.41 -0.93 0.00 0.00 177.26 177.74 1iqo n HIS 78 N -2.87 -4.10 -0.04 -2.53 8.25 -1.26 -5.00 115.22 107.67 1iqo n HIS 78 Ca -0.05 2.42 -0.05 0.00 -0.26 0.00 0.00 57.72 59.77 1iqo n HIS 78 Cb 0.54 -3.52 -0.05 0.00 1.12 0.00 0.00 29.99 28.08 1iqo n HIS 78 CO 0.00 0.00 0.00 -2.37 0.64 0.00 0.00 176.34 174.61 1iqo n THR 79 N 1.86 0.56 -4.31 1.59 5.66 -1.24 -5.06 114.28 113.34 1iqo n THR 79 Ca -0.17 -0.28 -0.16 0.00 -3.05 0.00 0.00 64.05 60.39 1iqo n THR 79 Cb 0.27 -0.82 -0.10 0.00 -1.55 0.00 0.00 70.33 68.12 1iqo n THR 79 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 1iqo s THR 80 N -2.20 0.90 -2.39 1.09 -4.23 -1.26 -5.05 115.64 102.50 1iqo s THR 80 Ca -0.09 -2.02 0.22 0.00 -1.18 0.00 0.00 61.69 58.63 1iqo s THR 80 Cb 0.03 -2.33 0.38 0.00 1.34 0.00 0.00 72.50 71.92 1iqo s THR 80 CO 0.28 -0.32 1.35 0.18 -0.54 0.00 0.00 174.62 175.57 1iqo n LEU 81 N -0.39 3.34 0.27 4.79 4.77 -1.26 -4.39 117.00 124.13 1iqo n LEU 81 Ca -0.05 -1.46 0.11 0.00 -0.03 0.00 0.00 56.01 54.58 1iqo n LEU 81 Cb 0.64 -0.22 0.74 0.00 -2.33 0.00 0.00 43.42 42.26 1iqo n LEU 81 CO 0.36 0.71 1.09 0.50 -1.33 0.00 0.00 177.39 178.72 1iqo h LYS 82 N 4.29 0.00 -0.46 3.23 1.63 -1.99 -2.14 116.57 121.13 1iqo h LYS 82 Ca 0.00 0.00 0.02 0.00 -0.85 0.00 0.00 60.65 59.82 1iqo h LYS 82 Cb 0.95 0.00 -0.03 0.00 -0.60 0.00 0.00 32.23 32.55 1iqo h LYS 82 CO 0.00 0.00 0.28 0.97 -3.45 0.00 0.00 179.45 177.25 1iqo h ILE 83 N 0.00 1.06 -0.47 2.00 2.10 -2.00 -0.26 117.51 119.94 1iqo h ILE 83 Ca 0.01 -0.19 0.00 0.00 1.08 0.00 0.00 64.86 65.76 1iqo h ILE 83 Cb 0.04 0.45 -0.02 0.00 -1.09 0.00 0.00 36.82 36.19 1iqo h ILE 83 CO -0.00 0.10 0.31 -0.07 -1.08 0.00 0.00 178.15 177.41 1iqo h LEU 84 N 0.56 0.55 -2.32 2.19 4.07 -1.71 -0.19 115.31 118.45 1iqo h LEU 84 Ca 0.18 -0.02 -0.01 0.00 0.08 0.00 0.00 57.88 58.11 1iqo h LEU 84 Cb 0.00 -0.14 -0.00 0.00 1.08 0.00 0.00 40.66 41.60 1iqo h LEU 84 CO -0.08 0.41 -0.04 -0.08 -1.08 0.00 0.00 178.44 177.57 1iqo h GLU 85 N 0.64 0.00 -0.03 1.13 4.81 -1.35 0.32 114.58 120.10 1iqo h GLU 85 Ca 0.17 0.00 -0.19 0.00 -0.13 0.00 0.00 59.36 59.21 1iqo h GLU 85 Cb -0.06 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.31 1iqo h GLU 85 CO -0.04 0.04 -0.80 0.78 -0.73 0.00 0.00 179.01 178.27 1iqo h GLY 86 N 0.49 0.31 -5.00 1.92 0.00 0.76 -3.42 103.07 98.13 1iqo h GLY 86 Ca -0.00 -0.49 -0.14 0.00 0.00 0.00 0.00 47.33 46.70 1iqo h GLY 86 CO 0.01 0.44 -0.25 -2.39 0.00 0.00 0.00 176.54 174.34 1iqo n HIS 87 N -3.75 -1.85 -1.83 5.60 1.44 -0.72 -5.10 115.22 109.00 1iqo n HIS 87 Ca -0.04 -1.19 0.00 0.00 -2.01 0.00 0.00 57.72 54.48 1iqo n HIS 87 Cb 0.75 1.31 0.00 0.00 0.12 0.00 0.00 29.99 32.17 1iqo n HIS 87 CO 0.00 0.00 0.00 -0.11 -2.81 0.00 0.00 176.34 173.42