#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 -4.21 -2.58 1.47 7.35 -1.26 -4.93 117.46 113.30 1iqo n PHE 2 Ca 0.00 2.36 -0.35 0.00 -0.76 0.00 0.00 57.45 58.70 1iqo n PHE 2 Cb 0.00 -3.42 -0.04 0.00 0.35 0.00 0.00 39.48 36.37 1iqo n PHE 2 CO 0.00 0.00 0.00 -1.50 -0.76 0.00 0.00 176.76 174.50 1iqo s ILE 3 N -1.17 3.84 0.01 -2.13 1.10 -1.26 -5.05 121.20 116.53 1iqo s ILE 3 Ca 0.00 1.25 0.00 0.00 -0.51 0.00 0.00 60.65 61.39 1iqo s ILE 3 Cb 0.00 -3.57 -0.04 0.00 0.15 0.00 0.00 42.46 39.00 1iqo s ILE 3 CO 0.00 -0.14 0.09 0.00 -2.11 0.00 0.00 174.94 172.78 1iqo s ALA 4 N -1.87 3.62 -0.28 1.50 0.00 -1.26 -5.11 121.76 118.36 1iqo s ALA 4 Ca 0.63 -0.89 -0.22 0.00 0.00 0.00 0.00 51.96 51.48 1iqo s ALA 4 Cb -0.18 -1.58 0.11 0.00 0.00 0.00 0.00 23.12 21.47 1iqo s ALA 4 CO 0.22 0.71 0.88 0.95 0.00 0.00 0.00 175.76 178.52 1iqo s THR 5 N -1.24 0.00 -0.18 0.00 -4.23 -1.26 -4.74 115.64 103.99 1iqo s THR 5 Ca 0.24 0.00 0.00 0.00 -1.18 0.00 0.00 61.69 60.76 1iqo s THR 5 Cb -0.12 -1.00 0.02 0.00 1.34 0.00 0.00 72.50 72.73 1iqo s THR 5 CO 0.16 0.00 -0.18 -0.22 -0.54 0.00 0.00 174.62 173.84 1iqo s LEU 6 N 0.70 2.23 -0.17 4.79 2.96 -1.10 -5.01 118.68 123.08 1iqo s LEU 6 Ca -0.02 -0.61 -0.01 0.00 -0.22 0.00 0.00 54.13 53.27 1iqo s LEU 6 Cb -0.05 -1.51 0.04 0.00 0.50 0.00 0.00 46.19 45.18 1iqo s LEU 6 CO -0.08 0.00 -0.04 -0.75 -1.32 0.00 0.00 176.35 174.16 1iqo s LYS 7 N 1.28 1.36 0.09 1.98 2.36 -1.26 -2.22 119.74 123.33 1iqo s LYS 7 Ca 0.04 -0.52 -0.03 0.00 -2.55 0.00 0.00 55.97 52.91 1iqo s LYS 7 Cb -0.13 -2.02 -0.03 0.00 -1.05 0.00 0.00 37.83 34.60 1iqo s LYS 7 CO -0.11 -0.46 0.07 0.20 1.55 0.00 0.00 175.35 176.61 1iqo s GLY 8 N 1.65 0.55 -0.17 5.54 0.00 -1.14 -5.08 107.32 108.67 1iqo s GLY 8 Ca 0.00 -1.14 0.00 0.00 0.00 0.00 0.00 44.72 43.59 1iqo s GLY 8 CO -0.08 -1.18 -0.16 -1.50 0.00 0.00 0.00 173.10 170.19 1iqo s ILE 9 N -3.95 2.53 -0.28 0.90 2.07 -1.26 -2.82 121.20 118.39 1iqo s ILE 9 Ca 0.13 -0.81 -0.02 0.00 -1.41 0.00 0.00 60.65 58.54 1iqo s ILE 9 Cb 0.07 -2.07 0.04 0.00 0.13 0.00 0.00 42.46 40.63 1iqo s ILE 9 CO -0.06 0.51 -0.01 -0.36 -1.91 0.00 0.00 174.94 173.11 1iqo s PHE 10 N 0.99 3.20 -0.12 3.50 0.40 -1.03 -4.97 117.98 119.95 1iqo s PHE 10 Ca -0.02 -1.72 -0.29 0.00 -0.60 0.00 0.00 56.93 54.29 1iqo s PHE 10 Cb -0.15 -2.10 -0.04 0.00 0.51 0.00 0.00 43.02 41.24 1iqo s PHE 10 CO -0.03 -0.77 1.54 0.95 0.70 0.00 0.00 175.22 177.60 1iqo s THR 11 N 1.29 3.80 0.09 0.64 -4.23 -1.25 -2.55 115.64 113.44 1iqo s THR 11 Ca -0.03 0.96 -0.01 0.00 -1.18 0.00 0.00 61.69 61.43 1iqo s THR 11 Cb -0.19 -3.66 0.14 0.00 1.34 0.00 0.00 72.50 70.13 1iqo s THR 11 CO -0.02 -0.13 0.48 -0.11 -0.54 0.00 0.00 174.62 174.30 1iqo n LEU 12 N 7.26 -0.07 -0.13 4.79 7.94 -1.10 0.23 117.00 135.92 1iqo n LEU 12 Ca 0.17 0.53 -0.26 0.00 -1.11 0.00 0.00 56.01 55.34 1iqo n LEU 12 Cb 0.44 -0.18 -0.10 0.00 0.53 0.00 0.00 43.42 44.11 1iqo n LEU 12 CO 0.61 -0.52 -1.40 0.29 -1.11 0.00 0.00 177.39 175.25 1iqo n LYS 13 N -4.36 0.59 -1.08 1.96 4.76 -1.26 -4.46 118.16 114.32 1iqo n LYS 13 Ca 0.06 0.22 -0.24 0.00 -2.87 0.00 0.00 58.31 55.48 1iqo n LYS 13 Cb 0.20 -1.48 0.07 0.00 -1.84 0.00 0.00 35.03 31.98 1iqo n LYS 13 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 1iqo n ASP 14 N -3.92 6.57 0.16 4.39 8.00 -0.16 -4.41 116.55 127.17 1iqo n ASP 14 Ca -0.51 -3.38 0.12 0.00 0.71 0.00 0.00 54.79 51.73 1iqo n ASP 14 Cb 0.91 -0.98 0.08 0.00 -0.02 0.00 0.00 41.12 41.11 1iqo n ASP 14 CO 0.00 0.00 0.00 0.17 -0.39 0.00 0.00 177.20 176.98 1iqo h LEU 15 N 2.09 0.00 -4.52 0.64 8.10 0.27 -3.33 115.31 118.56 1iqo h LEU 15 Ca 0.45 0.00 -0.42 0.00 0.11 0.00 0.00 57.88 58.01 1iqo h LEU 15 Cb 1.08 0.00 -0.06 0.00 -0.44 0.00 0.00 40.66 41.24 1iqo h LEU 15 CO 1.12 0.01 1.29 -0.81 -4.11 0.00 0.00 178.44 175.93 1iqo n PRO 16 N -2.88 2.81 -0.27 0.17 -0.04 -1.26 -4.60 135.00 128.93 1iqo n PRO 16 Ca 0.02 -1.75 0.23 0.00 -0.04 0.00 0.00 63.50 61.96 1iqo n PRO 16 Cb 0.54 -2.32 0.39 0.00 -0.04 0.00 0.00 33.50 32.08 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 2.58 -0.02 -0.07 0.54 0.00 -1.26 -0.30 120.64 122.10 1iqo n GLU 17 Ca 0.57 0.75 -0.06 0.00 0.00 0.00 0.00 57.16 58.41 1iqo n GLU 17 Cb 0.60 -1.46 -0.03 0.00 0.00 0.00 0.00 31.44 30.56 1iqo n GLU 17 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.13 178.62 1iqo h GLU 18 N 0.00 0.00 0.00 3.44 4.22 -1.97 -3.50 114.58 116.77 1iqo h GLU 18 Ca 0.52 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.96 1iqo h GLU 18 Cb 1.64 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.89 1iqo h GLU 18 CO -0.29 0.13 0.00 0.34 -2.18 0.00 0.00 179.01 177.01 1iqo n PHE 19 N -4.62 -3.45 -3.21 0.92 7.35 0.58 -5.10 117.46 109.94 1iqo n PHE 19 Ca -0.09 0.73 -0.00 0.00 -0.76 0.00 0.00 57.45 57.32 1iqo n PHE 19 Cb 0.28 2.07 -0.02 0.00 0.35 0.00 0.00 39.48 42.17 1iqo n PHE 19 CO 0.00 0.00 0.00 -0.98 -0.76 0.00 0.00 176.76 175.02 1iqo s ARG 20 N -1.97 0.63 0.00 -4.13 1.70 -1.26 -4.73 118.95 109.20 1iqo s ARG 20 Ca 0.00 0.11 0.00 0.00 -0.47 0.00 0.00 55.73 55.37 1iqo s ARG 20 Cb 0.00 0.04 0.00 0.00 -0.57 0.00 0.00 34.95 34.42 1iqo s ARG 20 CO 0.00 -1.11 0.00 -0.35 -1.08 0.00 0.00 175.30 172.76 1iqo n PRO 21 N 4.98 1.28 0.00 3.89 -0.04 -1.26 -4.94 135.00 138.91 1iqo n PRO 21 Ca 0.07 0.00 0.13 0.00 -0.04 0.00 0.00 63.50 63.66 1iqo n PRO 21 Cb 0.54 0.00 0.37 0.00 -0.04 0.00 0.00 33.50 34.37 1iqo n PRO 21 CO 0.00 0.00 0.00 1.97 -0.04 0.00 0.00 175.50 177.43 1iqo n PHE 22 N -0.13 0.00 0.97 0.54 -1.74 -1.26 -3.78 117.46 112.06 1iqo n PHE 22 Ca 0.00 0.00 0.10 0.00 -0.56 0.00 0.00 57.45 56.99 1iqo n PHE 22 Cb 0.00 -0.21 -0.07 0.00 1.52 0.00 0.00 39.48 40.72 1iqo n PHE 22 CO 0.00 0.00 0.00 1.33 -0.56 0.00 0.00 176.76 177.53 1iqo n VAL 23 N -1.10 0.00 0.21 1.97 0.24 -1.26 -4.36 118.33 114.03 1iqo n VAL 23 Ca 0.09 -0.13 0.18 0.00 -2.04 0.00 0.00 64.34 62.45 1iqo n VAL 23 Cb 0.33 1.11 0.80 0.00 -1.47 0.00 0.00 33.84 34.62 1iqo n VAL 23 CO 0.00 0.00 0.00 -0.78 -2.14 0.00 0.00 176.83 173.91 1iqo h ASP 24 N 1.06 0.00 0.29 -1.34 3.58 -1.92 0.29 116.42 118.38 1iqo h ASP 24 Ca 0.00 0.00 -0.10 0.00 0.42 0.00 0.00 57.03 57.35 1iqo h ASP 24 Cb 0.60 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.63 1iqo h ASP 24 CO 0.00 0.00 -0.42 0.10 -2.88 0.00 0.00 179.24 176.04 1iqo h TYR 25 N 0.00 0.20 -0.14 0.28 -0.00 -1.86 -2.77 116.97 112.68 1iqo h TYR 25 Ca 0.10 -0.05 -0.10 0.00 0.00 0.00 0.00 58.73 58.68 1iqo h TYR 25 Cb 0.80 -0.04 -0.01 0.00 0.00 0.00 0.00 36.73 37.47 1iqo h TYR 25 CO 0.00 0.56 -0.34 -0.22 -0.00 0.00 0.00 178.16 178.16 1iqo h LYS 26 N 0.14 0.28 0.00 0.10 1.63 -0.72 1.23 116.57 119.23 1iqo h LYS 26 Ca 0.01 -0.12 0.00 0.00 -0.85 0.00 0.00 60.65 59.69 1iqo h LYS 26 Cb 0.80 -0.01 0.00 0.00 -0.60 0.00 0.00 32.23 32.42 1iqo h LYS 26 CO 0.06 0.60 0.00 0.00 -3.45 0.00 0.00 179.45 176.66 1iqo h ALA 27 N 1.40 1.00 0.00 5.00 0.00 -1.50 -3.27 119.26 121.89 1iqo h ALA 27 Ca 0.03 0.00 -0.14 0.00 0.00 0.00 0.00 54.91 54.80 1iqo h ALA 27 Cb 0.73 0.00 -0.30 0.00 0.00 0.00 0.00 17.79 18.22 1iqo h ALA 27 CO 0.06 0.00 -0.91 0.41 0.00 0.00 0.00 179.25 178.81 1iqo n GLY 28 N 0.40 1.40 0.05 0.00 0.00 -0.86 -3.51 105.19 102.67 1iqo n GLY 28 Ca 0.02 -0.80 0.09 0.00 0.00 0.00 0.00 46.02 45.33 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 0.25 0.26 -2.54 0.99 -0.00 0.42 -3.94 117.00 112.44 1iqo n LEU 29 Ca 0.07 0.57 -0.04 0.00 -0.00 0.00 0.00 56.01 56.60 1iqo n LEU 29 Cb 1.04 -0.54 0.05 0.00 -0.00 0.00 0.00 43.42 43.97 1iqo n LEU 29 CO -0.03 -0.40 0.55 1.21 -0.00 0.00 0.00 177.39 178.71 1iqo n GLU 30 N -1.79 0.64 -3.41 1.47 2.13 -1.26 -4.99 120.64 113.43 1iqo n GLU 30 Ca 0.03 -1.05 -0.18 0.00 0.66 0.00 0.00 57.16 56.61 1iqo n GLU 30 Cb 0.18 0.04 0.08 0.00 0.27 0.00 0.00 31.44 32.01 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 -0.61 -6.68 0.12 5.31 4.81 -1.25 -4.88 118.16 114.97 1iqo n LYS 31 Ca -0.15 0.79 0.11 0.00 -0.87 0.00 0.00 58.31 58.19 1iqo n LYS 31 Cb 0.73 -5.66 0.47 0.00 0.02 0.00 0.00 35.03 30.59 1iqo n LYS 31 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 1iqo n LYS 32 N -4.23 0.16 -0.36 1.64 5.02 -1.23 -4.98 118.16 114.19 1iqo n LYS 32 Ca -0.17 0.43 0.05 0.00 -2.02 0.00 0.00 58.31 56.61 1iqo n LYS 32 Cb 0.62 -1.83 -0.01 0.00 -0.02 0.00 0.00 35.03 33.78 1iqo n LYS 32 CO 0.00 0.00 0.00 0.36 -0.52 0.00 0.00 177.40 177.24 1iqo n LYS 33 N -2.14 -0.72 -4.05 1.97 2.85 -1.24 -4.72 118.16 110.11 1iqo n LYS 33 Ca 0.02 0.47 -0.34 0.00 -1.05 0.00 0.00 58.31 57.42 1iqo n LYS 33 Cb 0.19 -0.88 -0.15 0.00 -0.65 0.00 0.00 35.03 33.54 1iqo n LYS 33 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 1iqo s LEU 34 N 0.00 2.49 0.00 -5.58 2.01 -1.26 -4.89 118.68 111.44 1iqo s LEU 34 Ca 0.00 -0.64 0.00 0.00 0.01 0.00 0.00 54.13 53.50 1iqo s LEU 34 Cb 0.00 -1.57 0.00 0.00 0.01 0.00 0.00 46.19 44.63 1iqo s LEU 34 CO 0.00 -0.03 0.00 -0.24 1.01 0.00 0.00 176.35 177.09 1iqo n SER 35 N 4.66 0.00 0.00 2.29 2.88 -1.26 -5.09 113.62 117.10 1iqo n SER 35 Ca -0.20 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.34 1iqo n SER 35 Cb 0.50 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.96 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 -1.22 -3.46 2.03 -1.26 -4.95 116.55 107.68 1iqo n ASP 36 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 1iqo n ASP 36 Cb 0.00 0.00 0.16 0.00 -0.72 0.00 0.00 41.12 40.56 1iqo n ASP 36 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 1iqo n ASP 37 N -0.00 3.20 -4.54 1.67 8.00 -1.26 -4.90 116.55 118.72 1iqo n ASP 37 Ca 0.00 -2.49 -0.23 0.00 0.71 0.00 0.00 54.79 52.78 1iqo n ASP 37 Cb 0.00 -0.60 -0.11 0.00 -0.02 0.00 0.00 41.12 40.40 1iqo n ASP 37 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 1iqo n ASP 38 N 0.18 1.03 -3.88 -2.24 5.68 -1.26 -4.72 116.55 111.34 1iqo n ASP 38 Ca 0.16 -0.87 -0.30 0.00 -0.50 0.00 0.00 54.79 53.27 1iqo n ASP 38 Cb 0.75 -1.32 -0.15 0.00 -1.14 0.00 0.00 41.12 39.27 1iqo n ASP 38 CO 0.00 0.00 0.00 -1.61 -1.33 0.00 0.00 177.20 174.26 1iqo s GLU 39 N 8.37 1.13 -0.25 0.11 0.41 -1.26 -2.71 118.70 124.50 1iqo s GLU 39 Ca 1.08 -1.45 -0.03 0.00 -0.41 0.00 0.00 54.97 54.15 1iqo s GLU 39 Cb -0.43 -2.61 0.10 0.00 -1.78 0.00 0.00 34.13 29.42 1iqo s GLU 39 CO 0.28 -0.94 0.20 -1.50 -0.49 0.00 0.00 175.26 172.80 1iqo s ILE 40 N 1.26 -0.24 0.40 -1.63 2.07 -1.06 -0.04 121.20 121.96 1iqo s ILE 40 Ca 0.09 -0.44 -0.02 0.00 -1.41 0.00 0.00 60.65 58.88 1iqo s ILE 40 Cb -0.18 -0.86 -0.03 0.00 0.13 0.00 0.00 42.46 41.52 1iqo s ILE 40 CO -0.16 -0.46 0.65 0.00 -1.91 0.00 0.00 174.94 173.06 1iqo s ALA 41 N 2.24 3.58 0.00 1.50 0.00 -0.63 -2.46 121.76 126.01 1iqo s ALA 41 Ca 0.08 -0.76 0.01 0.00 0.00 0.00 0.00 51.96 51.28 1iqo s ALA 41 Cb -0.15 -2.30 -0.00 0.00 0.00 0.00 0.00 23.12 20.67 1iqo s ALA 41 CO -0.26 -0.17 -0.02 0.42 0.00 0.00 0.00 175.76 175.73 1iqo s ILE 42 N -2.49 0.15 0.05 0.00 1.01 -1.13 -0.72 121.20 118.07 1iqo s ILE 42 Ca 0.43 -0.20 -0.04 0.00 0.00 0.00 0.00 60.65 60.84 1iqo s ILE 42 Cb -0.10 -0.16 -0.02 0.00 0.01 0.00 0.00 42.46 42.20 1iqo s ILE 42 CO 0.40 -0.03 0.06 0.27 0.00 0.00 0.00 174.94 175.64 1iqo s ILE 43 N -0.23 0.16 0.02 2.92 -0.00 -1.17 -2.88 121.20 120.01 1iqo s ILE 43 Ca -0.01 -1.29 0.03 0.00 -0.00 0.00 0.00 60.65 59.38 1iqo s ILE 43 Cb -0.02 -1.07 -0.01 0.00 -0.00 0.00 0.00 42.46 41.35 1iqo s ILE 43 CO -0.00 -0.71 -0.08 -0.94 -0.00 0.00 0.00 174.94 173.21 1iqo s SER 44 N -2.38 0.97 -0.08 4.36 1.04 -0.94 -2.92 113.70 113.74 1iqo s SER 44 Ca -0.01 -0.33 0.12 0.00 0.48 0.00 0.00 55.95 56.21 1iqo s SER 44 Cb 0.01 -0.05 0.20 0.00 0.10 0.00 0.00 66.02 66.28 1iqo s SER 44 CO -0.07 -0.02 1.11 -0.38 0.98 0.00 0.00 173.24 174.86 1iqo n ILE 45 N 2.24 1.56 -2.47 -1.02 5.41 -1.26 -2.72 119.36 121.10 1iqo n ILE 45 Ca -0.17 -1.75 -0.17 0.00 1.00 0.00 0.00 62.75 61.66 1iqo n ILE 45 Cb 0.56 0.05 -0.01 0.00 -0.71 0.00 0.00 39.64 39.54 1iqo n ILE 45 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 176.55 177.72 1iqo n LYS 46 N -0.99 -2.11 -1.06 0.38 3.00 -1.26 -4.85 118.16 111.27 1iqo n LYS 46 Ca 0.10 0.81 -0.23 0.00 -0.00 0.00 0.00 58.31 58.98 1iqo n LYS 46 Cb 0.50 -5.45 0.06 0.00 0.00 0.00 0.00 35.03 30.14 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 -0.95 4.76 2.39 3.14 0.00 -1.26 -4.80 105.19 108.47 1iqo n GLY 47 Ca -0.19 -1.54 -0.18 0.00 0.00 0.00 0.00 46.02 44.11 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 -0.16 -0.03 -1.98 2.61 -2.24 -1.26 -4.65 114.28 106.57 1iqo n THR 48 Ca 0.43 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.21 1iqo n THR 48 Cb 0.63 -1.76 0.00 0.00 -2.10 0.00 0.00 70.33 67.10 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 -2.23 0.00 -3.06 -0.78 7.27 -1.26 -5.00 117.38 112.32 1iqo n GLN 49 Ca -0.18 -0.19 -0.14 0.00 0.07 0.00 0.00 57.00 56.56 1iqo n GLN 49 Cb 0.60 -0.10 -0.02 0.00 2.41 0.00 0.00 30.24 33.13 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 0.00 -1.91 0.00 1.69 2.88 -1.26 -4.32 113.62 110.70 1iqo n SER 50 Ca 0.00 -0.04 0.00 0.00 -1.33 0.00 0.00 58.87 57.50 1iqo n SER 50 Cb 0.54 -1.70 0.00 0.00 -0.75 0.00 0.00 64.21 62.30 1iqo n SER 50 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 1iqo n ASN 51 N -1.86 0.00 -3.56 -3.46 5.15 -1.26 -3.94 115.26 106.33 1iqo n ASN 51 Ca 0.01 0.00 -0.01 0.00 -0.60 0.00 0.00 54.58 53.97 1iqo n ASN 51 Cb 0.51 0.00 0.01 0.00 -0.53 0.00 0.00 39.78 39.77 1iqo n ASN 51 CO 0.00 0.00 0.00 -1.38 1.40 0.00 0.00 177.26 177.28 1iqo s HIS 52 N 0.00 0.01 0.08 1.20 0.00 -1.15 -4.99 115.29 110.45 1iqo s HIS 52 Ca 0.00 -0.30 0.01 0.00 -3.00 0.00 0.00 55.06 51.77 1iqo s HIS 52 Cb 0.00 0.64 -0.04 0.00 -4.00 0.00 0.00 32.58 29.18 1iqo s HIS 52 CO 0.00 -0.69 0.20 0.54 -1.00 0.00 0.00 174.74 173.79 1iqo s VAL 53 N -2.39 5.21 -0.12 -5.38 0.11 -1.26 -3.03 120.40 113.54 1iqo s VAL 53 Ca 0.20 -0.53 0.03 0.00 -2.93 0.00 0.00 61.98 58.75 1iqo s VAL 53 Cb -0.01 -3.57 0.01 0.00 -1.53 0.00 0.00 36.38 31.28 1iqo s VAL 53 CO 0.02 0.09 -0.21 -0.22 -3.33 0.00 0.00 175.10 171.45 1iqo s LEU 54 N -2.64 2.01 -0.43 2.54 1.98 0.10 -5.00 118.68 117.24 1iqo s LEU 54 Ca 0.34 -0.54 -0.19 0.00 -2.89 0.00 0.00 54.13 50.84 1iqo s LEU 54 Cb -0.12 -1.34 0.02 0.00 0.66 0.00 0.00 46.19 45.41 1iqo s LEU 54 CO 0.27 0.09 0.57 0.12 -1.89 0.00 0.00 176.35 175.51 1iqo s PHE 55 N 0.69 3.11 0.13 5.38 5.36 -1.26 -1.60 117.98 129.79 1iqo s PHE 55 Ca -0.11 -0.15 -0.07 0.00 -0.96 0.00 0.00 56.93 55.65 1iqo s PHE 55 Cb -0.16 -3.18 -0.06 0.00 -0.34 0.00 0.00 43.02 39.29 1iqo s PHE 55 CO 0.02 -0.80 0.39 -0.51 -1.46 0.00 0.00 175.22 172.87 1iqo s LEU 56 N 2.57 4.28 -0.22 6.12 1.43 0.94 -4.97 118.68 128.83 1iqo s LEU 56 Ca 0.19 0.67 0.13 0.00 -1.03 0.00 0.00 54.13 54.09 1iqo s LEU 56 Cb -0.15 -3.24 -0.23 0.00 0.03 0.00 0.00 46.19 42.60 1iqo s LEU 56 CO 0.17 0.08 -0.02 -0.24 0.23 0.00 0.00 176.35 176.57 1iqo n SER 57 N 0.31 0.59 -3.61 2.29 2.88 -1.26 -4.21 113.62 110.62 1iqo n SER 57 Ca -0.04 -0.04 -0.02 0.00 -1.33 0.00 0.00 58.87 57.44 1iqo n SER 57 Cb 0.52 0.58 -0.01 0.00 -0.75 0.00 0.00 64.21 64.54 1iqo n SER 57 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1iqo s SER 58 N -5.80 -0.10 -0.03 -3.46 0.15 -1.26 -4.81 113.70 98.39 1iqo s SER 58 Ca -0.17 -0.06 0.05 0.00 0.70 0.00 0.00 55.95 56.47 1iqo s SER 58 Cb 0.07 0.15 -0.01 0.00 -1.71 0.00 0.00 66.02 64.52 1iqo s SER 58 CO 0.76 -0.26 -0.19 -0.47 1.20 0.00 0.00 173.24 174.28 1iqo s TYR 59 N -2.42 1.81 -0.28 3.44 5.04 -1.26 -5.10 117.35 118.58 1iqo s TYR 59 Ca 0.11 -0.46 -0.25 0.00 -2.44 0.00 0.00 57.07 54.04 1iqo s TYR 59 Cb 0.01 -1.19 0.13 0.00 0.35 0.00 0.00 41.96 41.26 1iqo s TYR 59 CO -0.04 -0.12 1.05 -0.80 -1.34 0.00 0.00 175.55 174.30 1iqo s ASN 60 N -0.16 -0.43 0.71 4.32 0.01 -1.26 -5.15 114.94 112.98 1iqo s ASN 60 Ca 0.00 0.83 0.00 0.00 -0.71 0.00 0.00 52.86 52.98 1iqo s ASN 60 Cb -0.10 0.86 0.00 0.00 0.41 0.00 0.00 41.25 42.41 1iqo s ASN 60 CO 0.01 -0.14 0.00 -1.20 -1.51 0.00 0.00 177.10 174.26 1iqo n SER 61 N 2.26 -4.17 -3.07 -1.22 7.64 -1.26 -4.78 113.62 109.02 1iqo n SER 61 Ca -0.13 0.00 -0.12 0.00 1.01 0.00 0.00 58.87 59.63 1iqo n SER 61 Cb 0.56 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.72 1iqo n SER 61 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 1iqo s VAL 62 N 0.00 -0.51 0.00 0.44 -7.23 -1.26 -4.92 120.40 106.92 1iqo s VAL 62 Ca 0.00 -1.41 0.00 0.00 -1.81 0.00 0.00 61.98 58.76 1iqo s VAL 62 Cb 0.00 -0.46 0.00 0.00 0.56 0.00 0.00 36.38 36.48 1iqo s VAL 62 CO 0.00 -0.45 0.00 -0.90 -0.31 0.00 0.00 175.10 173.44 1iqo n ASP 63 N 3.21 0.00 -0.44 4.85 5.75 -1.26 -4.94 116.55 123.72 1iqo n ASP 63 Ca 0.20 0.00 0.07 0.00 -0.01 0.00 0.00 54.79 55.05 1iqo n ASP 63 Cb 0.52 0.00 0.27 0.00 -1.03 0.00 0.00 41.12 40.89 1iqo n ASP 63 CO 0.00 0.00 0.00 -1.84 -0.11 0.00 0.00 177.20 175.25 1iqo n GLU 64 N 0.00 1.57 -0.01 0.11 0.28 -1.26 -2.87 120.64 118.45 1iqo n GLU 64 Ca 0.00 -0.87 -0.02 0.00 -0.16 0.00 0.00 57.16 56.12 1iqo n GLU 64 Cb 0.00 -1.29 -0.01 0.00 1.43 0.00 0.00 31.44 31.57 1iqo n GLU 64 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 177.13 177.41 1iqo n ILE 65 N 0.14 0.15 0.06 3.84 -0.00 -1.26 -4.57 119.36 117.71 1iqo n ILE 65 Ca 0.12 -0.06 -0.17 0.00 -0.00 0.00 0.00 62.75 62.64 1iqo n ILE 65 Cb 0.24 -0.60 -0.08 0.00 -0.00 0.00 0.00 39.64 39.20 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 0.55 -0.39 6.28 2.43 -1.93 -2.40 114.38 118.92 1iqo h ARG 66 Ca -0.06 -0.61 0.03 0.00 -0.81 0.00 0.00 59.98 58.53 1iqo h ARG 66 Cb 1.09 0.18 -0.03 0.00 -0.42 0.00 0.00 29.97 30.79 1iqo h ARG 66 CO -0.01 1.23 0.20 0.87 -1.51 0.00 0.00 179.97 180.75 1iqo h LYS 67 N 0.30 0.40 -0.22 0.20 1.57 -1.82 0.66 116.57 117.65 1iqo h LYS 67 Ca -0.11 -0.02 -0.11 0.00 -1.87 0.00 0.00 60.65 58.54 1iqo h LYS 67 Cb 1.68 -0.09 -0.00 0.00 0.08 0.00 0.00 32.23 33.90 1iqo h LYS 67 CO 0.19 0.26 -0.27 1.49 -0.57 0.00 0.00 179.45 180.55 1iqo h GLU 68 N 0.41 0.58 0.17 3.15 4.22 -1.80 -2.83 114.58 118.47 1iqo h GLU 68 Ca 0.16 -0.33 -0.01 0.00 0.08 0.00 0.00 59.36 59.27 1iqo h GLU 68 Cb 0.06 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.33 1iqo h GLU 68 CO -0.11 0.92 -0.08 -0.07 -2.18 0.00 0.00 179.01 177.50 1iqo h LEU 69 N 0.27 -0.19 -1.72 1.64 3.38 -1.18 -2.65 115.31 114.86 1iqo h LEU 69 Ca 0.03 -0.16 0.23 0.00 0.09 0.00 0.00 57.88 58.07 1iqo h LEU 69 Cb 0.84 0.05 -0.06 0.00 0.09 0.00 0.00 40.66 41.58 1iqo h LEU 69 CO 0.07 0.06 0.62 -0.08 0.09 0.00 0.00 178.44 179.20 1iqo h GLU 70 N -0.44 0.21 -0.22 1.13 4.81 0.26 0.93 114.58 121.26 1iqo h GLU 70 Ca -0.02 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.18 1iqo h GLU 70 Cb 0.34 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.66 1iqo h GLU 70 CO 0.04 0.14 0.09 0.93 -0.73 0.00 0.00 179.01 179.47 1iqo h GLU 71 N 0.22 0.32 0.00 1.92 5.08 -1.21 -2.59 114.58 118.32 1iqo h GLU 71 Ca 0.46 -0.06 -0.04 0.00 -1.00 0.00 0.00 59.36 58.72 1iqo h GLU 71 Cb 1.44 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.63 1iqo h GLU 71 CO -0.11 0.38 -0.21 0.00 -1.00 0.00 0.00 179.01 178.07 1iqo h ALA 72 N 0.93 1.63 0.39 3.43 0.00 -0.66 -3.11 119.26 121.87 1iqo h ALA 72 Ca 0.07 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 1iqo h ALA 72 Cb 0.18 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 1iqo h ALA 72 CO -0.01 0.26 -0.25 0.78 0.00 0.00 0.00 179.25 180.04 1iqo h GLY 73 N 0.65 -0.82 0.00 0.00 0.00 -0.93 -3.46 103.07 98.51 1iqo h GLY 73 Ca -0.00 0.34 0.00 0.00 0.00 0.00 0.00 47.33 47.67 1iqo h GLY 73 CO 0.03 -0.28 0.00 0.00 0.00 0.00 0.00 176.54 176.28 1iqo n ALA 74 N -2.42 0.00 -0.63 3.60 0.00 -1.17 -4.91 120.51 114.98 1iqo n ALA 74 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.37 1iqo n ALA 74 Cb 0.25 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.70 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 0.00 0.00 0.00 0.00 4.81 -1.18 -4.97 118.16 116.82 1iqo n LYS 75 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1iqo n LYS 75 Cb 0.00 -0.19 0.00 0.00 0.02 0.00 0.00 35.03 34.86 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 -1.86 0.00 -1.34 3.15 5.41 -1.26 -5.00 119.36 118.45 1iqo n ILE 76 Ca 0.00 0.00 -0.00 0.00 1.00 0.00 0.00 62.75 63.75 1iqo n ILE 76 Cb 0.00 -0.13 -0.00 0.00 -0.71 0.00 0.00 39.64 38.79 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 -0.59 -0.06 -1.06 4.38 6.94 -1.26 -5.16 115.26 118.46 1iqo n ASN 77 Ca 0.00 -0.16 0.13 0.00 -0.02 0.00 0.00 54.58 54.53 1iqo n ASN 77 Cb 0.00 0.02 -0.04 0.00 -2.36 0.00 0.00 39.78 37.40 1iqo n ASN 77 CO 0.00 0.00 0.00 1.57 -1.03 0.00 0.00 177.26 177.80 1iqo n HIS 78 N 0.00 -2.48 -0.22 -2.53 -0.00 -1.26 -4.75 115.22 103.97 1iqo n HIS 78 Ca -0.02 1.27 0.00 0.00 0.46 0.00 0.00 57.72 59.43 1iqo n HIS 78 Cb 0.18 -2.25 0.00 0.00 -0.12 0.00 0.00 29.99 27.80 1iqo n HIS 78 CO 0.00 0.00 0.00 0.25 0.46 0.00 0.00 176.34 177.05 1iqo n THR 79 N -3.28 0.19 0.00 3.57 -2.24 -1.26 -5.04 114.28 106.22 1iqo n THR 79 Ca -0.01 -0.48 0.00 0.00 -2.27 0.00 0.00 64.05 61.29 1iqo n THR 79 Cb 0.62 1.07 0.00 0.00 -2.10 0.00 0.00 70.33 69.92 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 -0.10 0.00 -1.52 4.28 -2.24 -1.26 -2.91 114.28 110.54 1iqo n THR 80 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1iqo n THR 80 Cb 0.12 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.35 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 -0.02 3.22 4.77 -1.26 -4.92 117.00 118.79 1iqo n LEU 81 Ca 0.00 -0.37 -0.13 0.00 -0.03 0.00 0.00 56.01 55.48 1iqo n LEU 81 Cb 0.00 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 40.99 1iqo n LEU 81 CO 0.00 0.27 0.52 0.11 -1.33 0.00 0.00 177.39 176.96 1iqo h LYS 82 N 0.00 -0.04 -0.61 3.23 1.57 -1.96 -3.06 116.57 115.71 1iqo h LYS 82 Ca 0.00 0.00 0.18 0.00 -1.87 0.00 0.00 60.65 58.96 1iqo h LYS 82 Cb 1.05 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 33.35 1iqo h LYS 82 CO 0.00 0.59 0.51 -0.84 -0.57 0.00 0.00 179.45 179.14 1iqo h ILE 83 N -0.70 0.51 0.06 1.86 -2.65 -1.91 0.80 117.51 115.48 1iqo h ILE 83 Ca -0.00 0.00 -0.00 0.00 1.03 0.00 0.00 64.86 65.88 1iqo h ILE 83 Cb 0.64 0.62 0.00 0.00 -2.05 0.00 0.00 36.82 36.03 1iqo h ILE 83 CO 0.01 0.00 -0.03 0.25 0.03 0.00 0.00 178.15 178.40 1iqo h LEU 84 N 0.00 -0.07 -1.33 0.16 5.85 -1.86 -0.36 115.31 117.71 1iqo h LEU 84 Ca 0.29 -0.41 0.00 0.00 0.84 0.00 0.00 57.88 58.60 1iqo h LEU 84 Cb 1.31 0.02 0.00 0.00 0.37 0.00 0.00 40.66 42.36 1iqo h LEU 84 CO -0.00 0.39 0.00 1.05 -0.34 0.00 0.00 178.44 179.53 1iqo h GLU 85 N -0.56 0.00 0.11 1.25 4.11 -0.97 -1.82 114.58 116.71 1iqo h GLU 85 Ca -0.01 0.00 -0.31 0.00 0.07 0.00 0.00 59.36 59.11 1iqo h GLU 85 Cb 0.48 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.72 1iqo h GLU 85 CO 0.01 0.00 -1.55 0.78 0.07 0.00 0.00 179.01 178.32 1iqo h GLY 86 N 1.66 0.27 0.00 1.06 0.00 -0.68 -3.46 103.07 101.91 1iqo h GLY 86 Ca 0.00 -0.69 0.00 0.00 0.00 0.00 0.00 47.33 46.64 1iqo h GLY 86 CO 0.00 0.60 0.00 -2.39 0.00 0.00 0.00 176.54 174.75 1iqo n HIS 87 N -3.43 0.00 -0.98 5.60 1.44 -0.16 -5.08 115.22 112.61 1iqo n HIS 87 Ca -0.17 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.54 1iqo n HIS 87 Cb 1.04 0.00 0.00 0.00 0.12 0.00 0.00 29.99 31.15 1iqo n HIS 87 CO 0.00 0.00 0.00 -0.11 -2.81 0.00 0.00 176.34 173.42