#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ip9 s ALA 2 N 0.00 -2.07 0.00 4.61 0.00 -1.26 -5.01 121.76 118.03 1ip9 s ALA 2 Ca 0.00 1.14 0.00 0.00 0.00 0.00 0.00 51.96 53.10 1ip9 s ALA 2 Cb 0.00 -2.30 0.00 0.00 0.00 0.00 0.00 23.12 20.82 1ip9 s ALA 2 CO 0.00 -1.63 0.00 -1.33 0.00 0.00 0.00 175.76 172.80 1ip9 n MET 3 N 5.41 0.00 -3.22 0.00 2.81 -1.26 -4.96 117.12 115.90 1ip9 n MET 3 Ca 0.02 0.00 -0.29 0.00 -1.81 0.00 0.00 57.70 55.62 1ip9 n MET 3 Cb 0.52 -0.32 -0.06 0.00 -0.71 0.00 0.00 33.22 32.65 1ip9 n MET 3 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1ip9 n GLY 4 N 0.41 5.13 3.56 3.03 0.00 -1.26 -5.01 105.19 111.05 1ip9 n GLY 4 Ca 0.00 -2.76 -0.29 0.00 0.00 0.00 0.00 46.02 42.97 1ip9 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ip9 s SER 5 N -2.65 5.08 1.14 1.61 0.01 -1.26 -4.95 113.70 112.69 1ip9 s SER 5 Ca 0.42 -0.34 -0.18 0.00 1.31 0.00 0.00 55.95 57.15 1ip9 s SER 5 Cb 0.18 -2.55 0.14 0.00 0.21 0.00 0.00 66.02 64.00 1ip9 s SER 5 CO -0.04 -2.72 0.17 -1.20 0.41 0.00 0.00 173.24 169.86 1ip9 n SER 6 N 14.00 -2.34 -3.63 2.44 7.64 -1.26 -5.04 113.62 125.42 1ip9 n SER 6 Ca 0.36 -0.17 -0.16 0.00 1.01 0.00 0.00 58.87 59.91 1ip9 n SER 6 Cb 0.48 -0.99 -0.07 0.00 -1.01 0.00 0.00 64.21 62.62 1ip9 n SER 6 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 1ip9 s THR 7 N -2.25 0.02 0.15 0.44 -1.32 -1.26 -5.18 115.64 106.24 1ip9 s THR 7 Ca 0.58 -0.18 -0.19 0.00 -1.21 0.00 0.00 61.69 60.69 1ip9 s THR 7 Cb -0.14 -0.82 0.07 0.00 -1.51 0.00 0.00 72.50 70.10 1ip9 s THR 7 CO 0.65 -0.10 0.92 -1.54 -2.21 0.00 0.00 174.62 172.35 1ip9 n SER 8 N 1.31 -1.49 -2.70 8.08 3.41 -1.26 -5.08 113.62 115.89 1ip9 n SER 8 Ca -0.19 -1.75 -0.07 0.00 -0.26 0.00 0.00 58.87 56.60 1ip9 n SER 8 Cb 0.56 2.41 0.05 0.00 -0.26 0.00 0.00 64.21 66.98 1ip9 n SER 8 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ip9 n GLY 9 N -0.65 1.56 3.87 5.00 0.00 -1.26 -5.11 105.19 108.60 1ip9 n GLY 9 Ca -0.01 -1.01 -0.33 0.00 0.00 0.00 0.00 46.02 44.67 1ip9 n GLY 9 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ip9 s LEU 10 N -3.31 4.21 -0.30 0.99 1.43 -1.26 -5.07 118.68 115.37 1ip9 s LEU 10 Ca 0.25 0.97 -0.11 0.00 -1.03 0.00 0.00 54.13 54.21 1ip9 s LEU 10 Cb 0.42 -3.58 0.17 0.00 0.03 0.00 0.00 46.19 43.24 1ip9 s LEU 10 CO -0.00 -0.03 0.91 -0.54 0.23 0.00 0.00 176.35 176.92 1ip9 s LYS 11 N -2.59 0.33 0.02 1.70 -0.14 -1.26 -5.16 119.74 112.64 1ip9 s LYS 11 Ca 0.45 0.72 0.04 0.00 -1.36 0.00 0.00 55.97 55.82 1ip9 s LYS 11 Cb -0.12 0.42 -0.02 0.00 -1.68 0.00 0.00 37.83 36.43 1ip9 s LYS 11 CO 0.20 -0.24 -0.13 0.95 -0.76 0.00 0.00 175.35 175.38 1ip9 s THR 12 N 2.72 1.01 -0.29 2.17 -4.23 -1.26 -4.29 115.64 111.47 1ip9 s THR 12 Ca 0.02 -0.78 -0.13 0.00 -1.18 0.00 0.00 61.69 59.62 1ip9 s THR 12 Cb -0.10 -0.89 -0.04 0.00 1.34 0.00 0.00 72.50 72.82 1ip9 s THR 12 CO -0.16 0.10 0.26 -0.89 -0.54 0.00 0.00 174.62 173.39 1ip9 s THR 13 N -0.62 5.26 -0.42 3.99 2.01 -0.48 -4.79 115.64 120.59 1ip9 s THR 13 Ca 0.02 0.19 -0.29 0.00 0.31 0.00 0.00 61.69 61.92 1ip9 s THR 13 Cb -0.06 -3.63 0.02 0.00 0.01 0.00 0.00 72.50 68.83 1ip9 s THR 13 CO 0.00 0.15 1.29 -0.75 -0.69 0.00 0.00 174.62 174.62 1ip9 s LYS 14 N 1.86 3.69 -0.19 4.92 2.36 -1.26 -2.60 119.74 128.51 1ip9 s LYS 14 Ca 0.09 0.85 -0.01 0.00 -2.55 0.00 0.00 55.97 54.35 1ip9 s LYS 14 Cb -0.16 -3.95 0.01 0.00 -1.05 0.00 0.00 37.83 32.67 1ip9 s LYS 14 CO 0.11 -1.42 -0.14 0.42 1.55 0.00 0.00 175.35 175.87 1ip9 s ILE 15 N 4.89 2.57 -0.31 5.43 1.01 -0.75 -4.79 121.20 129.26 1ip9 s ILE 15 Ca 0.55 -0.77 -0.17 0.00 0.00 0.00 0.00 60.65 60.27 1ip9 s ILE 15 Cb -0.12 -2.12 -0.02 0.00 0.01 0.00 0.00 42.46 40.21 1ip9 s ILE 15 CO 0.30 0.50 0.45 -0.54 0.00 0.00 0.00 174.94 175.65 1ip9 s LYS 16 N 1.35 3.83 0.70 2.79 -0.14 -1.26 -1.14 119.74 125.87 1ip9 s LYS 16 Ca 0.05 -0.03 -0.08 0.00 -1.36 0.00 0.00 55.97 54.55 1ip9 s LYS 16 Cb -0.14 -3.73 0.05 0.00 -1.68 0.00 0.00 37.83 32.34 1ip9 s LYS 16 CO -0.09 -0.45 1.03 -0.06 -0.76 0.00 0.00 175.35 175.02 1ip9 s PHE 17 N 2.23 3.03 -0.47 3.18 0.40 -0.04 -0.51 117.98 125.80 1ip9 s PHE 17 Ca 0.17 0.61 0.08 0.00 -0.60 0.00 0.00 56.93 57.18 1ip9 s PHE 17 Cb -0.16 -3.15 0.27 0.00 0.51 0.00 0.00 43.02 40.48 1ip9 s PHE 17 CO 0.11 -1.35 0.63 0.66 0.70 0.00 0.00 175.22 175.98 1ip9 n TYR 18 N -2.94 1.14 -2.14 0.36 4.02 0.57 -3.00 117.16 115.16 1ip9 n TYR 18 Ca 0.07 -3.79 -0.43 0.00 -0.01 0.00 0.00 57.90 53.74 1ip9 n TYR 18 Cb 0.60 -0.43 -0.02 0.00 -0.02 0.00 0.00 39.34 39.46 1ip9 n TYR 18 CO 0.00 0.00 0.00 -0.47 -1.01 0.00 0.00 176.86 175.38 1ip9 s TYR 19 N -1.83 2.16 0.00 -0.72 5.04 -1.02 -1.81 117.35 119.19 1ip9 s TYR 19 Ca 0.38 0.57 0.00 0.00 -2.44 0.00 0.00 57.07 55.57 1ip9 s TYR 19 Cb 0.19 -3.96 0.00 0.00 0.35 0.00 0.00 41.96 38.54 1ip9 s TYR 19 CO -0.08 -2.85 0.00 1.63 -1.34 0.00 0.00 175.55 172.91 1ip9 n LYS 20 N 7.58 0.00 0.00 4.97 5.02 -1.01 -1.12 118.16 133.61 1ip9 n LYS 20 Ca 0.18 0.00 0.12 0.00 -2.02 0.00 0.00 58.31 56.60 1ip9 n LYS 20 Cb 0.45 0.00 0.32 0.00 -0.02 0.00 0.00 35.03 35.78 1ip9 n LYS 20 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1ip9 n ASP 21 N 0.51 0.51 -4.91 4.39 9.92 -1.26 -4.87 116.55 120.83 1ip9 n ASP 21 Ca 0.00 -0.26 -0.28 0.00 -0.53 0.00 0.00 54.79 53.72 1ip9 n ASP 21 Cb 0.00 0.15 0.07 0.00 -0.64 0.00 0.00 41.12 40.70 1ip9 n ASP 21 CO 0.00 0.00 0.00 -1.81 0.13 0.00 0.00 177.20 175.52 1ip9 s ASP 22 N -2.92 4.89 -0.03 -2.24 1.11 -0.27 -5.10 116.67 112.11 1ip9 s ASP 22 Ca 0.14 0.70 -0.19 0.00 0.18 0.00 0.00 52.55 53.38 1ip9 s ASP 22 Cb 0.18 -1.35 0.04 0.00 1.07 0.00 0.00 42.92 42.85 1ip9 s ASP 22 CO 0.65 -1.60 0.40 -0.63 1.18 0.00 0.00 175.17 175.17 1ip9 s ILE 23 N -3.35 0.04 0.00 0.77 1.09 -1.26 -2.42 121.20 116.07 1ip9 s ILE 23 Ca 0.60 -0.33 0.00 0.00 -1.10 0.00 0.00 60.65 59.82 1ip9 s ILE 23 Cb -0.11 -0.70 0.00 0.00 -1.06 0.00 0.00 42.46 40.59 1ip9 s ILE 23 CO 0.47 -0.18 0.00 2.22 -0.10 0.00 0.00 174.94 177.35 1ip9 n PHE 24 N 1.31 0.00 -3.77 3.97 -1.74 -1.16 -4.94 117.46 111.13 1ip9 n PHE 24 Ca -0.20 0.00 -0.10 0.00 -0.56 0.00 0.00 57.45 56.59 1ip9 n PHE 24 Cb 0.56 0.00 -0.07 0.00 1.52 0.00 0.00 39.48 41.50 1ip9 n PHE 24 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 1ip9 s ALA 25 N -2.00 -0.55 -0.04 1.98 0.00 -1.26 -0.86 121.76 119.03 1ip9 s ALA 25 Ca 0.00 -0.26 -0.03 0.00 0.00 0.00 0.00 51.96 51.66 1ip9 s ALA 25 Cb 0.00 0.47 0.02 0.00 0.00 0.00 0.00 23.12 23.61 1ip9 s ALA 25 CO 0.00 -0.50 0.11 -1.17 0.00 0.00 0.00 175.76 174.20 1ip9 s LEU 26 N -2.55 1.36 -0.51 0.00 2.96 -0.29 -4.93 118.68 114.72 1ip9 s LEU 26 Ca 0.01 0.22 -0.16 0.00 -0.22 0.00 0.00 54.13 53.98 1ip9 s LEU 26 Cb 0.02 0.34 0.09 0.00 0.50 0.00 0.00 46.19 47.14 1ip9 s LEU 26 CO -0.08 -0.07 0.47 -0.04 -1.32 0.00 0.00 176.35 175.31 1ip9 s MET 27 N 0.38 3.00 -0.11 1.98 -1.94 -1.26 -1.81 119.30 119.55 1ip9 s MET 27 Ca -0.03 -1.43 -0.20 0.00 -1.71 0.00 0.00 55.69 52.32 1ip9 s MET 27 Cb -0.04 -4.20 -0.04 0.00 2.01 0.00 0.00 34.83 32.56 1ip9 s MET 27 CO -0.02 -1.19 0.56 -0.51 -0.01 0.00 0.00 175.02 173.86 1ip9 s LEU 28 N 1.79 4.28 -0.02 -0.03 1.02 -1.07 -4.75 118.68 119.90 1ip9 s LEU 28 Ca 0.05 0.94 0.12 0.00 0.02 0.00 0.00 54.13 55.25 1ip9 s LEU 28 Cb -0.26 -2.84 0.37 0.00 0.02 0.00 0.00 46.19 43.48 1ip9 s LEU 28 CO 0.06 -0.06 1.28 0.29 0.02 0.00 0.00 176.35 177.93 1ip9 n LYS 29 N 3.83 2.10 0.00 1.70 5.02 -1.26 -1.39 118.16 128.17 1ip9 n LYS 29 Ca -0.05 -1.47 0.00 0.00 -2.02 0.00 0.00 58.31 54.77 1ip9 n LYS 29 Cb 0.51 -1.40 0.00 0.00 -0.02 0.00 0.00 35.03 34.12 1ip9 n LYS 29 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1ip9 n GLY 30 N 1.02 3.01 0.30 0.72 0.00 -1.26 -4.78 105.19 104.19 1ip9 n GLY 30 Ca 0.14 -0.81 0.18 0.00 0.00 0.00 0.00 46.02 45.52 1ip9 n GLY 30 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 1ip9 h ASP 31 N 0.06 0.00 -1.55 1.61 2.03 -1.98 -3.44 116.42 113.16 1ip9 h ASP 31 Ca 0.00 0.00 -0.71 0.00 -0.73 0.00 0.00 57.03 55.59 1ip9 h ASP 31 Cb 0.00 0.00 0.05 0.00 -0.83 0.00 0.00 39.33 38.55 1ip9 h ASP 31 CO 0.00 0.03 0.44 0.41 -1.03 0.00 0.00 179.24 179.09 1ip9 n THR 32 N -3.41 0.03 -3.60 1.15 -1.04 -1.26 -4.96 114.28 101.20 1ip9 n THR 32 Ca -0.02 -0.01 -0.12 0.00 -2.04 0.00 0.00 64.05 61.86 1ip9 n THR 32 Cb 0.14 -0.73 0.00 0.00 -1.82 0.00 0.00 70.33 67.92 1ip9 n THR 32 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 1ip9 n THR 33 N 2.61 0.00 0.12 12.58 -2.24 -1.26 -4.63 114.28 121.46 1ip9 n THR 33 Ca 0.20 -1.01 -0.20 0.00 -2.27 0.00 0.00 64.05 60.77 1ip9 n THR 33 Cb 0.16 -0.34 -0.14 0.00 -2.10 0.00 0.00 70.33 67.91 1ip9 n THR 33 CO 0.00 0.00 0.00 0.22 -0.57 0.00 0.00 175.07 174.72 1ip9 h TYR 34 N 0.51 0.73 -0.23 4.78 3.20 -1.86 -1.95 116.97 122.15 1ip9 h TYR 34 Ca -0.16 -0.52 -0.17 0.00 3.14 0.00 0.00 58.73 61.03 1ip9 h TYR 34 Cb 0.59 -0.03 0.00 0.00 1.54 0.00 0.00 36.73 38.83 1ip9 h TYR 34 CO 0.00 1.40 -0.51 0.87 -1.64 0.00 0.00 178.16 178.28 1ip9 h LYS 35 N 0.12 0.75 -0.38 1.82 1.57 -1.96 0.51 116.57 119.01 1ip9 h LYS 35 Ca -0.18 -0.50 0.04 0.00 -1.87 0.00 0.00 60.65 58.14 1ip9 h LYS 35 Cb 2.03 0.07 -0.04 0.00 0.08 0.00 0.00 32.23 34.37 1ip9 h LYS 35 CO 0.23 1.12 0.15 1.49 -0.57 0.00 0.00 179.45 181.87 1ip9 h GLU 36 N 0.48 0.30 -0.43 3.15 4.57 -1.94 0.22 114.58 120.93 1ip9 h GLU 36 Ca 0.00 -0.02 0.01 0.00 -1.18 0.00 0.00 59.36 58.17 1ip9 h GLU 36 Cb 1.12 -0.07 -0.02 0.00 -0.16 0.00 0.00 28.75 29.62 1ip9 h GLU 36 CO 0.11 0.20 0.28 1.25 -1.18 0.00 0.00 179.01 179.67 1ip9 h LEU 37 N 0.31 0.48 -0.84 1.64 5.85 -1.15 -0.27 115.31 121.33 1ip9 h LEU 37 Ca 0.17 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.88 1ip9 h LEU 37 Cb 0.13 -0.12 -0.04 0.00 0.37 0.00 0.00 40.66 41.00 1ip9 h LEU 37 CO -0.16 0.35 0.54 0.03 -0.34 0.00 0.00 178.44 178.86 1ip9 h ARG 38 N 0.57 1.12 0.00 1.25 3.08 0.17 0.10 114.38 120.67 1ip9 h ARG 38 Ca 0.16 -0.08 0.00 0.00 0.07 0.00 0.00 59.98 60.13 1ip9 h ARG 38 Cb -0.05 -0.25 0.00 0.00 0.08 0.00 0.00 29.97 29.75 1ip9 h ARG 38 CO -0.03 0.75 -0.17 0.45 -1.07 0.00 0.00 179.97 179.90 1ip9 n SER 39 N -4.48 0.46 0.09 7.04 2.88 -0.54 -1.42 113.62 117.65 1ip9 n SER 39 Ca 0.09 0.36 0.12 0.00 -1.33 0.00 0.00 58.87 58.11 1ip9 n SER 39 Cb 0.03 -0.39 0.04 0.00 -0.75 0.00 0.00 64.21 63.13 1ip9 n SER 39 CO 0.00 0.00 0.00 0.11 -1.23 0.00 0.00 175.04 173.92 1ip9 h LYS 40 N 0.00 0.00 0.00 -1.46 1.57 0.44 -3.38 116.57 113.74 1ip9 h LYS 40 Ca 0.00 0.00 -0.25 0.00 -1.87 0.00 0.00 60.65 58.53 1ip9 h LYS 40 Cb 0.62 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.88 1ip9 h LYS 40 CO 0.00 0.00 -1.95 -0.89 -0.57 0.00 0.00 179.45 176.04 1ip9 n ILE 41 N -2.50 0.96 -0.23 1.86 5.41 0.20 -4.43 119.36 120.63 1ip9 n ILE 41 Ca 0.01 -0.51 0.04 0.00 1.00 0.00 0.00 62.75 63.29 1ip9 n ILE 41 Cb 0.52 -0.81 0.15 0.00 -0.71 0.00 0.00 39.64 38.79 1ip9 n ILE 41 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1ip9 h ALA 42 N 0.43 0.86 0.00 -1.39 0.00 -1.42 0.45 119.26 118.19 1ip9 h ALA 42 Ca -0.38 0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.67 1ip9 h ALA 42 Cb 1.75 0.22 -0.00 0.00 0.00 0.00 0.00 17.79 19.76 1ip9 h ALA 42 CO -0.01 -0.33 -0.08 -1.00 0.00 0.00 0.00 179.25 177.83 1ip9 h PRO 43 N 0.26 0.00 0.00 0.00 0.13 -1.81 -2.09 132.00 128.50 1ip9 h PRO 43 Ca 0.38 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.51 1ip9 h PRO 43 Cb 0.62 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.75 1ip9 h PRO 43 CO -0.48 0.08 -0.74 0.54 -0.23 0.00 0.00 178.00 177.18 1ip9 n ARG 44 N -3.19 0.05 -0.05 0.86 5.12 0.46 -4.14 116.66 115.78 1ip9 n ARG 44 Ca 0.01 0.00 -0.14 0.00 -1.93 0.00 0.00 57.85 55.79 1ip9 n ARG 44 Cb 0.39 -1.52 -0.14 0.00 -1.16 0.00 0.00 32.46 30.04 1ip9 n ARG 44 CO 0.00 0.00 0.00 -0.89 -1.93 0.00 0.00 177.63 174.81 1ip9 n ILE 45 N -1.57 1.60 -0.40 0.55 5.41 0.13 -4.97 119.36 120.11 1ip9 n ILE 45 Ca 0.04 -0.73 0.00 0.00 1.00 0.00 0.00 62.75 63.07 1ip9 n ILE 45 Cb 0.35 -1.21 0.00 0.00 -0.71 0.00 0.00 39.64 38.07 1ip9 n ILE 45 CO 0.00 0.00 0.00 0.47 0.00 0.00 0.00 176.55 177.02 1ip9 n ASP 46 N -3.16 -1.20 -3.54 4.38 8.00 -0.82 -5.04 116.55 115.16 1ip9 n ASP 46 Ca -0.29 0.00 -0.16 0.00 0.71 0.00 0.00 54.79 55.05 1ip9 n ASP 46 Cb 1.06 -0.20 -0.07 0.00 -0.02 0.00 0.00 41.12 41.89 1ip9 n ASP 46 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 1ip9 s THR 47 N -2.00 0.00 -0.69 -3.53 -1.32 -1.20 -5.05 115.64 101.84 1ip9 s THR 47 Ca 0.00 -1.83 0.06 0.00 -1.21 0.00 0.00 61.69 58.71 1ip9 s THR 47 Cb 0.00 -2.52 0.09 0.00 -1.51 0.00 0.00 72.50 68.56 1ip9 s THR 47 CO 0.00 0.00 0.86 -0.90 -2.21 0.00 0.00 174.62 172.37 1ip9 n ASP 48 N -1.16 1.88 -3.78 8.08 5.68 -1.26 -4.57 116.55 121.43 1ip9 n ASP 48 Ca 0.04 -1.53 -0.28 0.00 -0.50 0.00 0.00 54.79 52.52 1ip9 n ASP 48 Cb 0.63 -0.05 -0.16 0.00 -1.14 0.00 0.00 41.12 40.40 1ip9 n ASP 48 CO 0.00 0.00 0.00 0.20 -1.33 0.00 0.00 177.20 176.07 1ip9 s ASN 49 N -0.69 2.91 -0.05 -1.12 0.02 -1.26 -5.04 114.94 109.70 1ip9 s ASN 49 Ca 0.09 -0.79 -0.11 0.00 -1.02 0.00 0.00 52.86 51.03 1ip9 s ASN 49 Cb 0.06 -0.68 0.02 0.00 0.02 0.00 0.00 41.25 40.67 1ip9 s ASN 49 CO 0.08 -0.28 0.26 0.72 0.02 0.00 0.00 177.10 177.90 1ip9 s PHE 50 N 1.79 -0.19 -0.22 2.20 -0.71 -1.26 -1.56 117.98 118.03 1ip9 s PHE 50 Ca -0.01 0.41 -0.17 0.00 -1.04 0.00 0.00 56.93 56.12 1ip9 s PHE 50 Cb -0.17 0.07 -0.04 0.00 -1.21 0.00 0.00 43.02 41.68 1ip9 s PHE 50 CO -0.07 -0.25 0.44 0.15 -1.34 0.00 0.00 175.22 174.15 1ip9 s LYS 51 N -0.63 4.14 -0.16 1.99 1.02 -0.40 -4.81 119.74 120.88 1ip9 s LYS 51 Ca -0.07 0.25 -0.05 0.00 0.02 0.00 0.00 55.97 56.11 1ip9 s LYS 51 Cb -0.04 -3.58 -0.03 0.00 -0.52 0.00 0.00 37.83 33.66 1ip9 s LYS 51 CO 0.02 -0.15 0.02 -0.51 -0.92 0.00 0.00 175.35 173.81 1ip9 s LEU 52 N 1.66 3.59 0.31 3.17 1.43 -1.25 -1.34 118.68 126.24 1ip9 s LEU 52 Ca 0.20 0.02 0.04 0.00 -1.03 0.00 0.00 54.13 53.36 1ip9 s LEU 52 Cb -0.15 -1.88 -0.04 0.00 0.03 0.00 0.00 46.19 44.15 1ip9 s LEU 52 CO 0.09 0.20 0.17 -1.10 0.23 0.00 0.00 176.35 175.94 1ip9 s GLN 53 N 0.17 1.63 -1.20 1.70 1.11 -0.71 -0.44 119.66 121.92 1ip9 s GLN 53 Ca 0.02 -1.94 -0.17 0.00 0.01 0.00 0.00 55.36 53.29 1ip9 s GLN 53 Cb -0.13 -0.07 0.12 0.00 -1.01 0.00 0.00 33.01 31.92 1ip9 s GLN 53 CO 0.01 -0.48 1.53 0.95 0.01 0.00 0.00 175.29 177.31 1ip9 s THR 54 N -3.57 4.57 -0.62 -0.19 -4.23 -0.05 -1.06 115.64 110.49 1ip9 s THR 54 Ca 0.35 -2.13 -0.25 0.00 -1.18 0.00 0.00 61.69 58.49 1ip9 s THR 54 Cb 0.04 -5.02 -0.15 0.00 1.34 0.00 0.00 72.50 68.71 1ip9 s THR 54 CO 0.18 -1.79 1.84 1.17 -0.54 0.00 0.00 174.62 175.48 1ip9 n LYS 55 N 7.03 0.00 0.00 3.99 0.00 0.95 -2.97 118.16 127.16 1ip9 n LYS 55 Ca 0.40 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.71 1ip9 n LYS 55 Cb 0.45 -1.08 0.00 0.00 0.00 0.00 0.00 35.03 34.40 1ip9 n LYS 55 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 1ip9 n LEU 56 N 6.98 2.12 0.00 3.14 4.77 -1.26 -4.27 117.00 128.47 1ip9 n LEU 56 Ca 0.45 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.43 1ip9 n LEU 56 Cb 0.01 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.10 1ip9 n LEU 56 CO 0.67 0.00 0.00 2.22 -1.33 0.00 0.00 177.39 178.95 1ip9 n PHE 57 N -0.60 -0.25 0.03 -1.77 -1.74 -1.26 -4.95 117.46 106.91 1ip9 n PHE 57 Ca 0.00 0.00 -0.19 0.00 -0.56 0.00 0.00 57.45 56.70 1ip9 n PHE 57 Cb 0.00 0.05 -0.11 0.00 1.52 0.00 0.00 39.48 40.94 1ip9 n PHE 57 CO 0.00 0.00 0.00 0.38 -0.56 0.00 0.00 176.76 176.58 1ip9 h ASP 58 N 0.00 0.70 0.00 5.98 2.03 -1.99 -3.47 116.42 119.67 1ip9 h ASP 58 Ca 0.00 -0.76 0.00 0.00 -0.73 0.00 0.00 57.03 55.54 1ip9 h ASP 58 Cb 0.00 -0.22 0.00 0.00 -0.83 0.00 0.00 39.33 38.28 1ip9 h ASP 58 CO 0.00 1.38 0.00 0.61 -1.03 0.00 0.00 179.24 180.20 1ip9 n GLY 59 N 1.12 -0.27 3.68 7.15 0.00 -1.26 -5.16 105.19 110.44 1ip9 n GLY 59 Ca -0.11 0.02 -0.02 0.00 0.00 0.00 0.00 46.02 45.91 1ip9 n GLY 59 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ip9 s SER 60 N -1.78 -0.14 0.00 1.61 1.04 -1.26 -4.61 113.70 108.56 1ip9 s SER 60 Ca 0.00 -0.25 0.00 0.00 0.48 0.00 0.00 55.95 56.18 1ip9 s SER 60 Cb 0.00 0.34 0.00 0.00 0.10 0.00 0.00 66.02 66.46 1ip9 s SER 60 CO 0.00 -0.62 0.00 0.61 0.98 0.00 0.00 173.24 174.21 1ip9 n GLY 61 N -0.44 2.69 3.68 7.32 0.00 -1.16 -4.50 105.19 112.78 1ip9 n GLY 61 Ca -0.07 -0.24 -0.42 0.00 0.00 0.00 0.00 46.02 45.29 1ip9 n GLY 61 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ip9 s GLU 62 N 2.63 4.32 -0.78 1.61 2.02 -1.26 -4.61 118.70 122.64 1ip9 s GLU 62 Ca 0.00 1.71 -0.26 0.00 0.02 0.00 0.00 54.97 56.44 1ip9 s GLU 62 Cb 0.00 -3.60 -0.00 0.00 0.10 0.00 0.00 34.13 30.63 1ip9 s GLU 62 CO 0.00 -0.51 1.67 -2.00 0.02 0.00 0.00 175.26 174.44 1ip9 s GLU 63 N 2.47 2.90 -0.32 1.61 2.12 -1.26 -0.87 118.70 125.35 1ip9 s GLU 63 Ca 0.57 -0.09 -0.43 0.00 0.36 0.00 0.00 54.97 55.37 1ip9 s GLU 63 Cb -0.25 -4.65 -0.19 0.00 0.26 0.00 0.00 34.13 29.30 1ip9 s GLU 63 CO 0.21 -2.66 1.54 -0.89 -0.54 0.00 0.00 175.26 172.92 1ip9 n ILE 64 N 7.11 0.08 -2.01 -3.70 -0.00 0.42 -4.77 119.36 116.48 1ip9 n ILE 64 Ca 0.23 -0.01 -0.00 0.00 -0.00 0.00 0.00 62.75 62.96 1ip9 n ILE 64 Cb 0.50 -0.63 -0.00 0.00 -0.00 0.00 0.00 39.64 39.51 1ip9 n ILE 64 CO 0.00 0.00 0.00 0.29 -0.00 0.00 0.00 176.55 176.84 1ip9 n LYS 65 N 3.85 0.00 -3.72 0.38 4.76 -1.26 -4.62 118.16 117.55 1ip9 n LYS 65 Ca 0.27 -0.61 -0.14 0.00 -2.87 0.00 0.00 58.31 54.97 1ip9 n LYS 65 Cb 0.03 -0.27 -0.09 0.00 -1.84 0.00 0.00 35.03 32.86 1ip9 n LYS 65 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 1ip9 s THR 66 N 0.00 0.02 0.63 -0.18 -4.23 -1.26 -5.00 115.64 105.62 1ip9 s THR 66 Ca 0.01 -0.17 0.25 0.00 -1.18 0.00 0.00 61.69 60.59 1ip9 s THR 66 Cb 0.01 -0.64 0.30 0.00 1.34 0.00 0.00 72.50 73.51 1ip9 s THR 66 CO -0.00 -0.09 1.70 0.44 -0.54 0.00 0.00 174.62 176.12 1ip9 h ASP 67 N 4.66 0.00 0.21 3.99 3.32 -1.96 0.36 116.42 127.00 1ip9 h ASP 67 Ca -0.28 0.00 -0.30 0.00 0.02 0.00 0.00 57.03 56.47 1ip9 h ASP 67 Cb 1.18 0.00 0.03 0.00 0.22 0.00 0.00 39.33 40.76 1ip9 h ASP 67 CO 0.31 0.00 -1.30 -1.28 -1.72 0.00 0.00 179.24 175.26 1ip9 h SER 68 N 0.00 0.77 -0.04 6.45 0.87 -1.96 -1.78 113.55 117.86 1ip9 h SER 68 Ca 0.14 -0.91 -0.04 0.00 -1.23 0.00 0.00 61.79 59.74 1ip9 h SER 68 Cb 1.32 -0.25 -0.01 0.00 -0.44 0.00 0.00 62.40 63.02 1ip9 h SER 68 CO -0.00 1.63 -0.08 1.56 -0.53 0.00 0.00 176.83 179.41 1ip9 h GLN 69 N 0.05 0.27 0.00 2.24 1.08 -0.70 0.35 115.11 118.40 1ip9 h GLN 69 Ca -0.22 -0.06 -0.03 0.00 -1.45 0.00 0.00 58.65 56.90 1ip9 h GLN 69 Cb 2.02 -0.04 0.00 0.00 -0.05 0.00 0.00 27.48 29.41 1ip9 h GLN 69 CO 0.24 0.37 -0.10 0.28 -0.95 0.00 0.00 178.83 178.68 1ip9 h VAL 70 N 0.27 1.60 0.00 -0.54 2.07 -1.44 -0.22 116.25 117.99 1ip9 h VAL 70 Ca 0.06 -1.91 0.00 0.00 0.82 0.00 0.00 66.70 65.67 1ip9 h VAL 70 Cb 0.31 2.86 0.00 0.00 -1.52 0.00 0.00 31.29 32.95 1ip9 h VAL 70 CO 0.02 0.51 0.00 -1.20 0.02 0.00 0.00 177.57 176.91 1ip9 n SER 71 N -4.63 0.52 -0.02 0.57 7.64 -0.67 -0.28 113.62 116.76 1ip9 n SER 71 Ca -0.10 0.66 -0.21 0.00 1.01 0.00 0.00 58.87 60.24 1ip9 n SER 71 Cb 0.44 -0.76 -0.13 0.00 -1.01 0.00 0.00 64.21 62.74 1ip9 n SER 71 CO 0.00 0.00 0.00 -1.13 -3.01 0.00 0.00 175.04 170.90 1ip9 h ASN 72 N 0.00 0.28 0.34 6.43 -1.24 -0.16 -1.47 115.58 119.76 1ip9 h ASN 72 Ca 0.00 -0.82 0.00 0.00 0.71 0.00 0.00 56.30 56.19 1ip9 h ASN 72 Cb 0.23 -0.09 0.00 0.00 0.73 0.00 0.00 38.32 39.19 1ip9 h ASN 72 CO 0.00 1.52 0.00 0.40 -1.29 0.00 0.00 177.43 178.06 1ip9 h ILE 73 N -0.49 0.00 0.01 2.57 5.03 -0.20 0.16 117.51 124.59 1ip9 h ILE 73 Ca -0.27 -0.16 -0.00 0.00 -0.12 0.00 0.00 64.86 64.31 1ip9 h ILE 73 Cb 1.60 1.07 0.00 0.00 -3.03 0.00 0.00 36.82 36.46 1ip9 h ILE 73 CO 0.01 0.00 -0.01 0.40 -0.68 0.00 0.00 178.15 177.88 1ip9 h ILE 74 N 0.00 1.46 0.00 -0.67 2.04 -0.57 0.91 117.51 120.68 1ip9 h ILE 74 Ca 0.00 -1.97 0.00 0.00 1.00 0.00 0.00 64.86 63.89 1ip9 h ILE 74 Cb 0.17 2.69 0.00 0.00 -0.74 0.00 0.00 36.82 38.94 1ip9 h ILE 74 CO 0.00 0.47 0.00 0.00 0.00 0.00 0.00 178.15 178.62 1ip9 n GLN 75 N -4.68 0.22 0.00 2.37 6.02 -0.56 -2.85 117.38 117.90 1ip9 n GLN 75 Ca -0.08 0.33 0.01 0.00 -0.01 0.00 0.00 57.00 57.25 1ip9 n GLN 75 Cb 0.38 -1.84 0.01 0.00 1.02 0.00 0.00 30.24 29.81 1ip9 n GLN 75 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1ip9 n ALA 76 N -1.77 2.47 -3.45 -1.58 0.00 0.50 -5.05 120.51 111.63 1ip9 n ALA 76 Ca 0.04 -0.46 -0.37 0.00 0.00 0.00 0.00 53.44 52.65 1ip9 n ALA 76 Cb 0.31 -0.09 0.04 0.00 0.00 0.00 0.00 19.45 19.71 1ip9 n ALA 76 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1ip9 n LYS 77 N -0.02 -1.97 -4.13 0.00 4.81 0.31 -4.93 118.16 112.24 1ip9 n LYS 77 Ca 0.01 1.49 -0.36 0.00 -0.87 0.00 0.00 58.31 58.59 1ip9 n LYS 77 Cb 0.06 -2.36 -0.08 0.00 0.02 0.00 0.00 35.03 32.67 1ip9 n LYS 77 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 1ip9 s LEU 78 N -2.46 3.93 -0.01 3.14 2.01 -0.58 -5.00 118.68 119.70 1ip9 s LEU 78 Ca 0.37 0.26 -0.30 0.00 0.01 0.00 0.00 54.13 54.47 1ip9 s LEU 78 Cb -0.04 -1.94 -0.06 0.00 0.01 0.00 0.00 46.19 44.16 1ip9 s LEU 78 CO 0.87 0.36 1.55 -0.54 1.01 0.00 0.00 176.35 179.60 1ip9 s LYS 79 N -0.73 4.22 0.30 1.70 1.02 -1.26 -4.46 119.74 120.52 1ip9 s LYS 79 Ca 0.12 2.13 -0.04 0.00 0.02 0.00 0.00 55.97 58.20 1ip9 s LYS 79 Cb -0.12 -3.73 -0.05 0.00 -0.52 0.00 0.00 37.83 33.41 1ip9 s LYS 79 CO 0.03 -0.72 0.56 0.42 -0.92 0.00 0.00 175.35 174.72 1ip9 s ILE 80 N 3.09 5.03 0.04 2.17 -1.09 0.34 0.32 121.20 131.09 1ip9 s ILE 80 Ca 0.70 0.01 0.09 0.00 -2.23 0.00 0.00 60.65 59.21 1ip9 s ILE 80 Cb -0.34 -3.75 -0.03 0.00 -1.58 0.00 0.00 42.46 36.76 1ip9 s ILE 80 CO 0.29 -0.37 -0.26 -0.55 -1.23 0.00 0.00 174.94 172.82 1ip9 s SER 81 N -3.29 3.17 -0.09 3.58 0.15 -0.22 0.21 113.70 117.21 1ip9 s SER 81 Ca 0.44 -0.57 0.02 0.00 0.70 0.00 0.00 55.95 56.53 1ip9 s SER 81 Cb -0.11 -0.30 0.01 0.00 -1.71 0.00 0.00 66.02 63.91 1ip9 s SER 81 CO 0.31 0.27 -0.16 -0.69 1.20 0.00 0.00 173.24 174.17 1ip9 s VAL 82 N -0.79 1.47 0.29 4.45 1.01 -0.75 -1.73 120.40 124.36 1ip9 s VAL 82 Ca 0.12 -0.65 0.10 0.00 0.00 0.00 0.00 61.98 61.55 1ip9 s VAL 82 Cb -0.10 -1.33 -0.05 0.00 0.00 0.00 0.00 36.38 34.90 1ip9 s VAL 82 CO 0.02 0.43 -0.09 -1.00 0.00 0.00 0.00 175.10 174.46 1ip9 s HIS 83 N 0.79 2.47 -0.09 5.22 3.76 -0.45 -2.39 115.29 124.60 1ip9 s HIS 83 Ca -0.11 -0.33 -0.13 0.00 -0.15 0.00 0.00 55.06 54.33 1ip9 s HIS 83 Cb -0.16 -1.18 -0.05 0.00 1.11 0.00 0.00 32.58 32.30 1ip9 s HIS 83 CO 0.02 0.63 0.32 -0.51 -0.85 0.00 0.00 174.74 174.35 1ip9 s ASP 84 N -3.61 6.59 0.00 1.40 1.01 -1.26 -1.28 116.67 119.52 1ip9 s ASP 84 Ca 0.32 0.69 0.00 0.00 0.71 0.00 0.00 52.55 54.27 1ip9 s ASP 84 Cb -0.04 -2.20 0.00 0.00 1.01 0.00 0.00 42.92 41.70 1ip9 s ASP 84 CO 0.17 0.23 0.04 2.30 0.21 0.00 0.00 175.17 178.13