#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 0.58 0.12 4.61 0.00 -1.26 -5.05 121.76 120.76 1ip9 s ALA 2 Ca 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 51.96 51.73 1ip9 s ALA 2 Cb 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 23.12 22.92 1ip9 s ALA 2 CO 0.00 0.11 0.00 -1.33 0.00 0.00 0.00 175.76 174.54 1ip9 n MET 3 N 3.17 0.00 0.00 0.00 0.00 -1.26 -4.60 117.12 114.43 1ip9 n MET 3 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.54 1ip9 n MET 3 Cb 0.56 -0.38 0.00 0.00 0.00 0.00 0.00 33.22 33.40 1ip9 n MET 3 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1ip9 n GLY 4 N 2.95 -0.65 0.00 3.03 0.00 -1.26 -4.43 105.19 104.82 1ip9 n GLY 4 Ca 0.00 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.64 1ip9 n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1ip9 n SER 5 N 0.00 0.00 -3.61 1.61 7.64 -1.26 -5.13 113.62 112.87 1ip9 n SER 5 Ca 0.00 0.00 -0.10 0.00 1.01 0.00 0.00 58.87 59.78 1ip9 n SER 5 Cb 0.00 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.14 1ip9 n SER 5 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1ip9 s SER 6 N -4.00 -0.43 -0.78 6.43 0.01 -1.26 -5.04 113.70 108.63 1ip9 s SER 6 Ca 0.00 0.72 -0.02 0.00 1.31 0.00 0.00 55.95 57.96 1ip9 s SER 6 Cb 0.00 0.68 0.39 0.00 0.21 0.00 0.00 66.02 67.30 1ip9 s SER 6 CO 0.00 -0.23 2.02 0.35 0.41 0.00 0.00 173.24 175.78 1ip9 n THR 7 N 1.68 3.59 -3.14 1.44 -2.24 -1.26 -4.89 114.28 109.46 1ip9 n THR 7 Ca -0.12 -3.85 -0.45 0.00 -2.27 0.00 0.00 64.05 57.36 1ip9 n THR 7 Cb 0.57 -1.21 -0.03 0.00 -2.10 0.00 0.00 70.33 67.56 1ip9 n THR 7 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1ip9 s SER 8 N -1.38 6.61 0.00 3.42 0.15 -1.26 -4.92 113.70 116.32 1ip9 s SER 8 Ca 0.56 -2.23 0.00 0.00 0.70 0.00 0.00 55.95 54.98 1ip9 s SER 8 Cb 0.46 -2.30 0.00 0.00 -1.71 0.00 0.00 66.02 62.47 1ip9 s SER 8 CO -0.28 -0.86 0.00 0.61 1.20 0.00 0.00 173.24 173.92 1ip9 n GLY 9 N 4.79 0.87 3.55 9.45 0.00 -1.26 -4.84 105.19 117.75 1ip9 n GLY 9 Ca 0.14 -2.14 -0.36 0.00 0.00 0.00 0.00 46.02 43.66 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 0.00 3.25 0.33 0.99 1.02 -1.26 -4.90 118.68 118.11 1ip9 s LEU 10 Ca 0.00 -0.04 -0.01 0.00 0.02 0.00 0.00 54.13 54.10 1ip9 s LEU 10 Cb 0.00 -2.54 -0.01 0.00 0.02 0.00 0.00 46.19 43.66 1ip9 s LEU 10 CO 0.00 -2.39 0.42 -0.75 0.02 0.00 0.00 176.35 173.65 1ip9 s LYS 11 N 6.85 1.83 0.18 1.70 2.20 -1.26 -5.11 119.74 126.13 1ip9 s LYS 11 Ca 0.64 -1.78 -0.30 0.00 -0.36 0.00 0.00 55.97 54.17 1ip9 s LYS 11 Cb -0.10 0.41 -0.17 0.00 -1.51 0.00 0.00 37.83 36.46 1ip9 s LYS 11 CO 0.14 -0.74 0.72 2.41 -0.36 0.00 0.00 175.35 177.52 1ip9 n THR 12 N -0.55 1.61 -2.95 3.43 -1.04 -1.26 -4.87 114.28 108.64 1ip9 n THR 12 Ca 0.02 -0.40 -0.40 0.00 -2.04 0.00 0.00 64.05 61.23 1ip9 n THR 12 Cb 0.62 -0.20 -0.04 0.00 -1.82 0.00 0.00 70.33 68.88 1ip9 n THR 12 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 1ip9 s THR 13 N -0.79 4.88 -0.47 12.58 2.01 -0.66 -4.77 115.64 128.43 1ip9 s THR 13 Ca 0.68 1.64 -0.20 0.00 0.31 0.00 0.00 61.69 64.12 1ip9 s THR 13 Cb -0.94 -4.13 0.04 0.00 0.01 0.00 0.00 72.50 67.48 1ip9 s THR 13 CO 0.56 0.28 0.62 -0.75 -0.69 0.00 0.00 174.62 174.65 1ip9 s LYS 14 N 0.50 3.20 -0.26 4.92 2.20 -1.26 -2.40 119.74 126.63 1ip9 s LYS 14 Ca 0.41 -0.60 -0.03 0.00 -0.36 0.00 0.00 55.97 55.38 1ip9 s LYS 14 Cb -0.19 -4.01 0.02 0.00 -1.51 0.00 0.00 37.83 32.14 1ip9 s LYS 14 CO 0.22 -1.09 -0.02 0.42 -0.36 0.00 0.00 175.35 174.52 1ip9 s ILE 15 N 2.72 3.20 -0.40 5.43 1.01 -0.92 -4.83 121.20 127.42 1ip9 s ILE 15 Ca 0.19 -0.95 -0.24 0.00 0.00 0.00 0.00 60.65 59.66 1ip9 s ILE 15 Cb -0.16 -2.64 0.02 0.00 0.01 0.00 0.00 42.46 39.68 1ip9 s ILE 15 CO 0.16 0.15 0.82 -0.54 0.00 0.00 0.00 174.94 175.53 1ip9 s LYS 16 N 1.37 3.66 0.70 2.79 -0.14 -1.26 -1.42 119.74 125.43 1ip9 s LYS 16 Ca 0.01 0.23 -0.09 0.00 -1.36 0.00 0.00 55.97 54.76 1ip9 s LYS 16 Cb -0.17 -3.85 0.04 0.00 -1.68 0.00 0.00 37.83 32.17 1ip9 s LYS 16 CO -0.02 -0.97 1.04 -0.06 -0.76 0.00 0.00 175.35 174.57 1ip9 s PHE 17 N 3.28 3.12 -0.49 3.18 0.40 0.09 -0.58 117.98 126.98 1ip9 s PHE 17 Ca 0.33 0.71 0.06 0.00 -0.60 0.00 0.00 56.93 57.43 1ip9 s PHE 17 Cb -0.12 -3.10 0.21 0.00 0.51 0.00 0.00 43.02 40.51 1ip9 s PHE 17 CO 0.20 -1.27 0.49 0.66 0.70 0.00 0.00 175.22 176.00 1ip9 n TYR 18 N -2.93 0.66 -2.35 0.36 4.02 0.54 -2.70 117.16 114.76 1ip9 n TYR 18 Ca 0.07 -3.69 -0.43 0.00 -0.01 0.00 0.00 57.90 53.84 1ip9 n TYR 18 Cb 0.59 -0.21 -0.02 0.00 -0.02 0.00 0.00 39.34 39.68 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 -0.99 2.63 0.00 -0.72 5.04 -0.55 -1.38 117.35 121.38 1ip9 s TYR 19 Ca 0.33 0.83 0.00 0.00 -2.44 0.00 0.00 57.07 55.80 1ip9 s TYR 19 Cb 0.08 -3.72 0.00 0.00 0.35 0.00 0.00 41.96 38.67 1ip9 s TYR 19 CO -0.14 -2.05 0.00 1.63 -1.34 0.00 0.00 175.55 173.65 1ip9 n LYS 20 N 7.00 0.00 0.00 4.97 5.02 -1.03 -0.33 118.16 133.79 1ip9 n LYS 20 Ca 0.15 0.00 0.13 0.00 -2.02 0.00 0.00 58.31 56.57 1ip9 n LYS 20 Cb 0.45 0.00 0.42 0.00 -0.02 0.00 0.00 35.03 35.88 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 1.07 0.78 -4.91 4.39 8.00 -1.26 -4.87 116.55 119.75 1ip9 n ASP 21 Ca 0.00 -0.67 -0.27 0.00 0.71 0.00 0.00 54.79 54.56 1ip9 n ASP 21 Cb 0.00 0.08 -0.00 0.00 -0.02 0.00 0.00 41.12 41.18 1ip9 n ASP 21 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 1ip9 s ASP 22 N -2.59 6.24 -0.03 -2.24 1.11 0.55 -5.09 116.67 114.61 1ip9 s ASP 22 Ca 0.23 0.89 -0.09 0.00 0.18 0.00 0.00 52.55 53.76 1ip9 s ASP 22 Cb 0.19 -2.21 0.01 0.00 1.07 0.00 0.00 42.92 41.98 1ip9 s ASP 22 CO 0.54 -0.58 0.20 -0.63 1.18 0.00 0.00 175.17 175.88 1ip9 s ILE 23 N -2.73 0.05 0.02 0.77 1.01 -1.26 -1.48 121.20 117.58 1ip9 s ILE 23 Ca 0.47 -0.43 0.00 0.00 0.00 0.00 0.00 60.65 60.70 1ip9 s ILE 23 Cb -0.10 -0.43 -0.00 0.00 0.01 0.00 0.00 42.46 41.93 1ip9 s ILE 23 CO 0.44 -0.24 0.02 2.22 0.00 0.00 0.00 174.94 177.38 1ip9 n PHE 24 N 1.89 -0.04 -3.83 3.97 -1.74 -1.10 -4.95 117.46 111.66 1ip9 n PHE 24 Ca -0.19 -0.17 -0.12 0.00 -0.56 0.00 0.00 57.45 56.41 1ip9 n PHE 24 Cb 0.57 0.01 -0.11 0.00 1.52 0.00 0.00 39.48 41.47 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 -2.08 -0.43 -0.04 1.98 0.00 -1.26 -0.73 121.76 119.20 1ip9 s ALA 25 Ca 0.02 0.19 0.06 0.00 0.00 0.00 0.00 51.96 52.23 1ip9 s ALA 25 Cb 0.00 -0.07 -0.01 0.00 0.00 0.00 0.00 23.12 23.04 1ip9 s ALA 25 CO 0.02 -0.17 -0.21 -1.17 0.00 0.00 0.00 175.76 174.23 1ip9 s LEU 26 N -0.77 2.01 -0.43 0.00 2.96 -0.51 -4.68 118.68 117.25 1ip9 s LEU 26 Ca -0.09 -0.42 -0.14 0.00 -0.22 0.00 0.00 54.13 53.27 1ip9 s LEU 26 Cb -0.05 -1.16 0.05 0.00 0.50 0.00 0.00 46.19 45.54 1ip9 s LEU 26 CO 0.01 0.22 0.32 -0.04 -1.32 0.00 0.00 176.35 175.54 1ip9 s MET 27 N -0.22 2.89 0.05 1.98 -1.94 -1.25 -2.15 119.30 118.66 1ip9 s MET 27 Ca 0.00 -1.24 -0.17 0.00 -1.71 0.00 0.00 55.69 52.58 1ip9 s MET 27 Cb -0.11 -3.97 -0.06 0.00 2.01 0.00 0.00 34.83 32.69 1ip9 s MET 27 CO 0.02 -0.89 0.50 -0.51 -0.01 0.00 0.00 175.02 174.12 1ip9 s LEU 28 N 1.60 4.48 0.00 -0.03 2.01 -1.01 -4.77 118.68 120.97 1ip9 s LEU 28 Ca 0.04 1.11 0.20 0.00 0.01 0.00 0.00 54.13 55.49 1ip9 s LEU 28 Cb -0.22 -2.82 0.80 0.00 0.01 0.00 0.00 46.19 43.96 1ip9 s LEU 28 CO 0.07 0.27 1.57 0.29 1.01 0.00 0.00 176.35 179.56 1ip9 n LYS 29 N 1.63 1.63 0.00 1.70 4.76 -1.26 -1.65 118.16 124.97 1ip9 n LYS 29 Ca -0.11 -0.95 0.00 0.00 -2.87 0.00 0.00 58.31 54.38 1ip9 n LYS 29 Cb 0.52 -1.38 0.00 0.00 -1.84 0.00 0.00 35.03 32.33 1ip9 n LYS 29 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1ip9 n GLY 30 N 1.08 0.40 0.00 0.72 0.00 -1.26 -4.88 105.19 101.25 1ip9 n GLY 30 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 1ip9 n GLY 30 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1ip9 n ASP 31 N 0.00 0.48 -4.54 1.61 5.68 -1.26 -5.01 116.55 113.52 1ip9 n ASP 31 Ca 0.00 -0.45 -0.53 0.00 -0.50 0.00 0.00 54.79 53.31 1ip9 n ASP 31 Cb 0.00 0.99 -0.06 0.00 -1.14 0.00 0.00 41.12 40.92 1ip9 n ASP 31 CO 0.00 0.00 0.00 0.41 -1.33 0.00 0.00 177.20 176.28 1ip9 n THR 32 N -1.04 0.46 -3.06 2.12 -1.04 -1.26 -4.95 114.28 105.51 1ip9 n THR 32 Ca 0.00 -0.12 -0.11 0.00 -2.04 0.00 0.00 64.05 61.79 1ip9 n THR 32 Cb 0.00 -0.47 0.04 0.00 -1.82 0.00 0.00 70.33 68.08 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 1.62 0.00 0.09 12.58 -2.24 -1.26 -4.40 114.28 120.67 1ip9 n THR 33 Ca 0.18 -1.07 -0.18 0.00 -2.27 0.00 0.00 64.05 60.70 1ip9 n THR 33 Cb 0.18 -0.71 -0.14 0.00 -2.10 0.00 0.00 70.33 67.55 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 0.08 0.57 0.00 4.78 3.20 -1.82 -2.30 116.97 121.48 1ip9 h TYR 34 Ca -0.15 -0.41 -0.01 0.00 3.14 0.00 0.00 58.73 61.29 1ip9 h TYR 34 Cb 0.69 -0.02 -0.00 0.00 1.54 0.00 0.00 36.73 38.93 1ip9 h TYR 34 CO 0.00 1.39 -0.06 0.87 -1.64 0.00 0.00 178.16 178.72 1ip9 h LYS 35 N 0.09 0.00 -0.03 1.82 1.57 -1.94 -1.76 116.57 116.31 1ip9 h LYS 35 Ca -0.21 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.53 1ip9 h LYS 35 Cb 2.03 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.34 1ip9 h LYS 35 CO 0.20 0.06 -0.13 0.93 -0.57 0.00 0.00 179.45 179.93 1ip9 h GLU 36 N 0.00 0.14 -0.45 3.15 3.07 -1.93 -2.94 114.58 115.62 1ip9 h GLU 36 Ca -0.00 -0.11 0.00 0.00 -0.50 0.00 0.00 59.36 58.75 1ip9 h GLU 36 Cb 0.93 0.02 -0.02 0.00 -0.84 0.00 0.00 28.75 28.84 1ip9 h GLU 36 CO 0.01 0.77 0.29 1.25 -1.40 0.00 0.00 179.01 179.92 1ip9 h LEU 37 N -0.45 0.51 -0.83 1.33 5.85 -1.32 -1.17 115.31 119.23 1ip9 h LEU 37 Ca -0.01 -0.02 0.09 0.00 0.84 0.00 0.00 57.88 58.78 1ip9 h LEU 37 Cb 0.79 -0.13 -0.07 0.00 0.37 0.00 0.00 40.66 41.62 1ip9 h LEU 37 CO 0.03 0.38 0.48 -0.09 -0.34 0.00 0.00 178.44 178.90 1ip9 h ARG 38 N 0.61 0.80 0.00 1.25 2.43 -1.15 0.34 114.38 118.65 1ip9 h ARG 38 Ca 0.16 -0.05 -0.15 0.00 -0.81 0.00 0.00 59.98 59.14 1ip9 h ARG 38 Cb -0.06 -0.18 -0.02 0.00 -0.42 0.00 0.00 29.97 29.29 1ip9 h ARG 38 CO -0.03 0.53 -0.71 0.66 -1.51 0.00 0.00 179.97 178.90 1ip9 h SER 39 N 0.82 0.00 1.17 -3.80 4.64 -1.15 -0.89 113.55 114.34 1ip9 h SER 39 Ca 0.39 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.71 1ip9 h SER 39 Cb 0.32 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.41 1ip9 h SER 39 CO -0.23 0.69 -0.05 0.29 -0.87 0.00 0.00 176.83 176.66 1ip9 n LYS 40 N -3.26 0.12 -0.06 4.77 5.02 -0.37 -3.79 118.16 120.59 1ip9 n LYS 40 Ca 0.01 0.09 -0.07 0.00 -2.02 0.00 0.00 58.31 56.32 1ip9 n LYS 40 Cb 0.82 -1.63 -0.08 0.00 -0.02 0.00 0.00 35.03 34.11 1ip9 n LYS 40 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 1ip9 n ILE 41 N -1.84 0.79 -0.30 -0.18 5.41 0.10 -4.48 119.36 118.86 1ip9 n ILE 41 Ca 0.06 -0.41 0.04 0.00 1.00 0.00 0.00 62.75 63.44 1ip9 n ILE 41 Cb 0.38 -0.82 0.12 0.00 -0.71 0.00 0.00 39.64 38.61 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 0.33 0.60 0.00 -1.39 0.00 -1.25 0.46 119.26 118.00 1ip9 h ALA 42 Ca -0.31 0.33 -0.11 0.00 0.00 0.00 0.00 54.91 54.82 1ip9 h ALA 42 Cb 1.61 0.64 -0.02 0.00 0.00 0.00 0.00 17.79 20.03 1ip9 h ALA 42 CO -0.01 -0.40 -0.51 -1.00 0.00 0.00 0.00 179.25 177.32 1ip9 h PRO 43 N 0.00 0.00 -0.00 0.00 0.13 -1.77 -0.94 132.00 129.41 1ip9 h PRO 43 Ca 0.42 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.55 1ip9 h PRO 43 Cb 0.65 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.78 1ip9 h PRO 43 CO -0.87 0.51 -0.01 0.54 -0.23 0.00 0.00 178.00 177.94 1ip9 n ARG 44 N -3.82 1.12 -0.07 0.86 5.12 0.13 -3.58 116.66 116.44 1ip9 n ARG 44 Ca -0.01 -0.28 -0.08 0.00 -1.93 0.00 0.00 57.85 55.55 1ip9 n ARG 44 Cb 0.54 -1.49 -0.09 0.00 -1.16 0.00 0.00 32.46 30.26 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 -0.69 0.86 -0.45 0.55 5.41 0.28 -4.99 119.36 120.34 1ip9 n ILE 45 Ca 0.21 -0.45 0.00 0.00 1.00 0.00 0.00 62.75 63.51 1ip9 n ILE 45 Cb 0.20 -0.82 0.00 0.00 -0.71 0.00 0.00 39.64 38.31 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 -2.65 -1.36 -3.52 4.38 8.00 -0.42 -5.03 116.55 115.96 1ip9 n ASP 46 Ca -0.23 0.00 -0.14 0.00 0.71 0.00 0.00 54.79 55.13 1ip9 n ASP 46 Cb 0.86 -0.23 -0.06 0.00 -0.02 0.00 0.00 41.12 41.68 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 -1.10 -5.05 115.64 101.95 1ip9 s THR 47 Ca 0.00 -1.67 0.09 0.00 -1.21 0.00 0.00 61.69 58.89 1ip9 s THR 47 Cb 0.00 -2.53 -0.02 0.00 -1.51 0.00 0.00 72.50 68.43 1ip9 s THR 47 CO 0.00 0.00 0.52 -0.90 -2.21 0.00 0.00 174.62 172.03 1ip9 n ASP 48 N -1.10 0.94 -4.08 8.08 5.68 -1.26 -4.43 116.55 120.38 1ip9 n ASP 48 Ca 0.01 -0.97 -0.32 0.00 -0.50 0.00 0.00 54.79 53.02 1ip9 n ASP 48 Cb 0.62 0.60 -0.15 0.00 -1.14 0.00 0.00 41.12 41.05 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 -1.37 3.83 -0.02 -1.12 -0.87 -1.26 -4.98 114.94 109.14 1ip9 s ASN 49 Ca 0.06 -1.06 -0.12 0.00 -1.57 0.00 0.00 52.86 50.17 1ip9 s ASN 49 Cb 0.07 -1.48 0.02 0.00 -0.02 0.00 0.00 41.25 39.84 1ip9 s ASN 49 CO 0.25 -0.12 0.25 0.72 -2.57 0.00 0.00 177.10 175.63 1ip9 s PHE 50 N 1.21 -0.12 -0.33 2.20 -0.71 -1.26 -1.75 117.98 117.22 1ip9 s PHE 50 Ca -0.03 0.18 -0.14 0.00 -1.04 0.00 0.00 56.93 55.90 1ip9 s PHE 50 Cb -0.17 0.05 -0.02 0.00 -1.21 0.00 0.00 43.02 41.67 1ip9 s PHE 50 CO -0.08 -0.33 0.28 0.21 -1.34 0.00 0.00 175.22 173.96 1ip9 s LYS 51 N -1.20 3.58 -0.16 1.99 2.20 -0.32 -4.79 119.74 121.05 1ip9 s LYS 51 Ca -0.13 -0.52 -0.10 0.00 -0.36 0.00 0.00 55.97 54.87 1ip9 s LYS 51 Cb -0.06 -3.79 -0.05 0.00 -1.51 0.00 0.00 37.83 32.43 1ip9 s LYS 51 CO 0.03 -0.44 0.16 -0.51 -0.36 0.00 0.00 175.35 174.23 1ip9 s LEU 52 N 1.84 4.29 0.29 5.43 1.43 -1.25 -0.86 118.68 129.85 1ip9 s LEU 52 Ca 0.08 0.38 0.03 0.00 -1.03 0.00 0.00 54.13 53.59 1ip9 s LEU 52 Cb -0.17 -2.14 -0.04 0.00 0.03 0.00 0.00 46.19 43.87 1ip9 s LEU 52 CO 0.11 0.26 0.15 -1.10 0.23 0.00 0.00 176.35 176.00 1ip9 s GLN 53 N -0.21 1.56 -1.10 1.70 1.11 -0.46 -1.36 119.66 120.89 1ip9 s GLN 53 Ca 0.12 -1.88 -0.16 0.00 0.01 0.00 0.00 55.36 53.45 1ip9 s GLN 53 Cb -0.12 -0.13 0.14 0.00 -1.01 0.00 0.00 33.01 31.89 1ip9 s GLN 53 CO 0.02 -0.42 1.35 0.95 0.01 0.00 0.00 175.29 177.20 1ip9 s THR 54 N -3.64 4.78 -0.58 -0.19 -4.23 -1.01 -1.23 115.64 109.54 1ip9 s THR 54 Ca 0.36 -2.08 -0.21 0.00 -1.18 0.00 0.00 61.69 58.58 1ip9 s THR 54 Cb 0.06 -4.90 -0.14 0.00 1.34 0.00 0.00 72.50 68.86 1ip9 s THR 54 CO 0.17 -1.63 1.64 1.17 -0.54 0.00 0.00 174.62 175.42 1ip9 n LYS 55 N 6.40 0.00 0.00 3.99 0.00 0.82 -2.04 118.16 127.33 1ip9 n LYS 55 Ca 0.33 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.64 1ip9 n LYS 55 Cb 0.46 -0.95 0.00 0.00 0.00 0.00 0.00 35.03 34.54 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 6.29 1.60 0.00 3.14 4.77 -1.26 -4.34 117.00 127.20 1ip9 n LEU 56 Ca 0.40 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.38 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 0.59 0.00 0.00 0.33 -1.33 0.00 0.00 177.39 176.98 1ip9 n PHE 57 N -0.27 0.00 -0.65 -1.77 7.35 -1.26 -4.95 117.46 115.90 1ip9 n PHE 57 Ca 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.69 1ip9 n PHE 57 Cb 0.00 0.00 0.00 0.00 0.35 0.00 0.00 39.48 39.83 1ip9 n PHE 57 CO 0.00 0.00 0.00 -0.40 -0.76 0.00 0.00 176.76 175.60 1ip9 n ASP 58 N -0.48 0.13 0.00 -2.13 5.75 -1.26 -5.07 116.55 113.49 1ip9 n ASP 58 Ca 0.00 -0.80 0.00 0.00 -0.01 0.00 0.00 54.79 53.98 1ip9 n ASP 58 Cb 0.00 0.04 0.00 0.00 -1.03 0.00 0.00 41.12 40.13 1ip9 n ASP 58 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1ip9 n GLY 59 N 0.04 0.41 3.31 6.12 0.00 -1.26 -5.18 105.19 108.63 1ip9 n GLY 59 Ca 0.00 0.31 -0.10 0.00 0.00 0.00 0.00 46.02 46.23 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 1.82 -0.21 0.00 1.61 1.04 -1.26 -4.37 113.70 112.33 1ip9 s SER 60 Ca 0.00 -0.32 0.00 0.00 0.48 0.00 0.00 55.95 56.11 1ip9 s SER 60 Cb 0.00 0.46 0.00 0.00 0.10 0.00 0.00 66.02 66.58 1ip9 s SER 60 CO 0.00 -0.83 0.00 0.61 0.98 0.00 0.00 173.24 174.00 1ip9 n GLY 61 N -0.15 4.80 3.32 7.32 0.00 -0.87 -4.64 105.19 114.98 1ip9 n GLY 61 Ca -0.16 -1.73 -0.56 0.00 0.00 0.00 0.00 46.02 43.57 1ip9 n GLY 61 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1ip9 n GLU 62 N 0.00 0.34 -1.69 1.61 4.71 -1.26 -3.86 120.64 120.49 1ip9 n GLU 62 Ca 0.00 0.09 -0.17 0.00 -0.01 0.00 0.00 57.16 57.07 1ip9 n GLU 62 Cb 0.00 -1.81 -0.07 0.00 -1.01 0.00 0.00 31.44 28.55 1ip9 n GLU 62 CO 0.00 0.00 0.00 -2.00 0.09 0.00 0.00 177.13 175.22 1ip9 s GLU 63 N 6.25 1.82 -0.28 3.49 2.12 -1.26 -2.40 118.70 128.44 1ip9 s GLU 63 Ca 1.17 0.28 -0.43 0.00 0.36 0.00 0.00 54.97 56.35 1ip9 s GLU 63 Cb -1.28 -4.86 -0.19 0.00 0.26 0.00 0.00 34.13 28.06 1ip9 s GLU 63 CO 0.60 -4.21 1.42 -0.89 -0.54 0.00 0.00 175.26 171.63 1ip9 n ILE 64 N 8.58 0.03 -1.74 -3.70 -0.00 -0.46 -4.78 119.36 117.28 1ip9 n ILE 64 Ca 0.45 -0.01 0.00 0.00 -0.00 0.00 0.00 62.75 63.20 1ip9 n ILE 64 Cb 0.44 -0.42 0.00 0.00 -0.00 0.00 0.00 39.64 39.66 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 3.22 0.00 -3.76 0.38 4.76 -1.26 -4.57 118.16 116.93 1ip9 n LYS 65 Ca 0.26 -0.40 -0.13 0.00 -2.87 0.00 0.00 58.31 55.17 1ip9 n LYS 65 Cb 0.02 -0.27 -0.09 0.00 -1.84 0.00 0.00 35.03 32.85 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 0.04 0.64 -0.18 -4.23 -1.26 -5.00 115.64 105.64 1ip9 s THR 66 Ca 0.00 -0.30 0.23 0.00 -1.18 0.00 0.00 61.69 60.44 1ip9 s THR 66 Cb 0.00 -0.57 0.27 0.00 1.34 0.00 0.00 72.50 73.54 1ip9 s THR 66 CO 0.00 -0.17 1.62 0.44 -0.54 0.00 0.00 174.62 175.98 1ip9 h ASP 67 N 4.49 0.00 0.19 3.99 3.32 -1.93 0.35 116.42 126.83 1ip9 h ASP 67 Ca -0.28 0.00 -0.25 0.00 0.02 0.00 0.00 57.03 56.52 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 0.36 0.00 -1.08 -1.28 -1.72 0.00 0.00 179.24 175.52 1ip9 h SER 68 N 0.00 0.61 -0.35 6.45 0.87 -1.94 -1.61 113.55 117.58 1ip9 h SER 68 Ca 0.13 -0.94 -0.01 0.00 -1.23 0.00 0.00 61.79 59.74 1ip9 h SER 68 Cb 1.43 -0.20 -0.02 0.00 -0.44 0.00 0.00 62.40 63.17 1ip9 h SER 68 CO -0.00 1.52 0.19 1.56 -0.53 0.00 0.00 176.83 179.57 1ip9 h GLN 69 N -0.17 0.53 -0.00 2.24 1.08 -0.71 0.17 115.11 118.25 1ip9 h GLN 69 Ca -0.19 -0.06 -0.01 0.00 -1.45 0.00 0.00 58.65 56.95 1ip9 h GLN 69 Cb 1.85 -0.11 0.00 0.00 -0.05 0.00 0.00 27.48 29.17 1ip9 h GLN 69 CO 0.20 0.41 -0.03 0.28 -0.95 0.00 0.00 178.83 178.74 1ip9 h VAL 70 N 0.54 1.59 0.00 -0.54 2.07 -1.44 -0.91 116.25 117.55 1ip9 h VAL 70 Ca 0.14 -1.77 0.00 0.00 0.82 0.00 0.00 66.70 65.89 1ip9 h VAL 70 Cb 0.06 2.77 0.00 0.00 -1.52 0.00 0.00 31.29 32.60 1ip9 h VAL 70 CO -0.02 0.46 0.00 0.28 0.02 0.00 0.00 177.57 178.31 1ip9 h SER 71 N -0.71 0.00 0.10 0.57 0.02 -0.95 0.38 113.55 112.96 1ip9 h SER 71 Ca -0.00 0.00 -0.24 0.00 -0.84 0.00 0.00 61.79 60.71 1ip9 h SER 71 Cb 0.77 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.31 1ip9 h SER 71 CO 0.01 0.00 -1.20 -1.13 -1.14 0.00 0.00 176.83 173.36 1ip9 h ASN 72 N 0.00 0.32 0.42 3.07 -0.73 -0.49 -1.23 115.58 116.95 1ip9 h ASN 72 Ca 0.00 -0.84 0.00 0.00 1.87 0.00 0.00 56.30 57.33 1ip9 h ASN 72 Cb 0.11 -0.10 0.00 0.00 0.27 0.00 0.00 38.32 38.59 1ip9 h ASN 72 CO 0.00 1.53 0.00 0.40 -0.37 0.00 0.00 177.43 178.99 1ip9 h ILE 73 N -0.44 0.00 0.08 2.57 5.03 0.29 0.45 117.51 125.49 1ip9 h ILE 73 Ca -0.26 -0.15 -0.19 0.00 -0.12 0.00 0.00 64.86 64.14 1ip9 h ILE 73 Cb 1.64 0.81 -0.00 0.00 -3.03 0.00 0.00 36.82 36.23 1ip9 h ILE 73 CO 0.04 0.00 -0.95 0.40 -0.68 0.00 0.00 178.15 176.96 1ip9 h ILE 74 N 0.00 1.29 0.00 -0.67 2.04 -0.22 0.63 117.51 120.58 1ip9 h ILE 74 Ca 0.00 -2.39 0.00 0.00 1.00 0.00 0.00 64.86 63.47 1ip9 h ILE 74 Cb 0.21 2.90 0.00 0.00 -0.74 0.00 0.00 36.82 39.19 1ip9 h ILE 74 CO 0.00 0.63 0.00 1.56 0.00 0.00 0.00 178.15 180.34 1ip9 h GLN 75 N -0.58 0.00 -0.00 2.37 4.20 -0.60 -3.13 115.11 117.37 1ip9 h GLN 75 Ca -0.21 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.50 1ip9 h GLN 75 Cb 1.50 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.28 1ip9 h GLN 75 CO 0.03 0.00 -0.13 0.00 -0.67 0.00 0.00 178.83 178.06 1ip9 n ALA 76 N -1.94 2.57 -3.36 3.87 0.00 0.09 -5.04 120.51 116.70 1ip9 n ALA 76 Ca 0.04 -0.32 -0.24 0.00 0.00 0.00 0.00 53.44 52.92 1ip9 n ALA 76 Cb 0.41 -0.18 0.02 0.00 0.00 0.00 0.00 19.45 19.70 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 -0.48 -1.88 -3.77 0.00 4.81 0.21 -4.93 118.16 112.12 1ip9 n LYS 77 Ca 0.02 1.45 -0.36 0.00 -0.87 0.00 0.00 58.31 58.55 1ip9 n LYS 77 Cb 0.10 -3.42 -0.07 0.00 0.02 0.00 0.00 35.03 31.67 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 -3.25 4.33 0.08 3.14 2.01 -0.41 -4.99 118.68 119.58 1ip9 s LEU 78 Ca 0.22 0.44 -0.31 0.00 0.01 0.00 0.00 54.13 54.49 1ip9 s LEU 78 Cb -0.03 -2.15 -0.08 0.00 0.01 0.00 0.00 46.19 43.94 1ip9 s LEU 78 CO 0.84 0.30 1.55 -0.54 1.01 0.00 0.00 176.35 179.51 1ip9 s LYS 79 N -0.46 4.23 0.20 1.70 3.01 -1.26 -4.49 119.74 122.68 1ip9 s LYS 79 Ca 0.14 2.23 0.00 0.00 -1.01 0.00 0.00 55.97 57.33 1ip9 s LYS 79 Cb -0.12 -3.46 -0.04 0.00 -1.01 0.00 0.00 37.83 33.20 1ip9 s LYS 79 CO 0.03 -0.64 0.37 0.42 0.51 0.00 0.00 175.35 176.04 1ip9 s ILE 80 N 2.09 5.23 -0.10 2.17 -1.09 0.25 0.29 121.20 130.04 1ip9 s ILE 80 Ca 0.70 -0.48 0.03 0.00 -2.23 0.00 0.00 60.65 58.67 1ip9 s ILE 80 Cb -0.39 -3.75 0.00 0.00 -1.58 0.00 0.00 42.46 36.75 1ip9 s ILE 80 CO 0.31 -0.18 -0.22 -0.44 -1.23 0.00 0.00 174.94 173.18 1ip9 s SER 81 N -3.27 2.89 -0.13 3.58 0.01 -0.37 0.20 113.70 116.62 1ip9 s SER 81 Ca 0.37 -0.53 -0.03 0.00 1.31 0.00 0.00 55.95 57.07 1ip9 s SER 81 Cb -0.11 -1.33 -0.03 0.00 0.21 0.00 0.00 66.02 64.76 1ip9 s SER 81 CO 0.29 0.12 -0.00 -0.69 0.41 0.00 0.00 173.24 173.37 1ip9 s VAL 82 N 0.52 4.24 0.33 3.43 1.01 -0.48 -1.36 120.40 128.09 1ip9 s VAL 82 Ca -0.15 -0.25 0.10 0.00 0.00 0.00 0.00 61.98 61.68 1ip9 s VAL 82 Cb -0.17 -2.83 -0.06 0.00 0.00 0.00 0.00 36.38 33.32 1ip9 s VAL 82 CO 0.05 0.54 -0.12 -1.00 0.00 0.00 0.00 175.10 174.58 1ip9 s HIS 83 N -0.21 2.38 -0.20 5.22 3.76 -0.04 -2.47 115.29 123.74 1ip9 s HIS 83 Ca 0.05 -0.46 -0.14 0.00 -0.15 0.00 0.00 55.06 54.36 1ip9 s HIS 83 Cb -0.12 -1.30 -0.04 0.00 1.11 0.00 0.00 32.58 32.22 1ip9 s HIS 83 CO 0.02 0.61 0.30 -0.51 -0.85 0.00 0.00 174.74 174.32 1ip9 s ASP 84 N -3.59 6.36 0.00 1.40 1.01 -1.26 -1.17 116.67 119.42 1ip9 s ASP 84 Ca 0.32 0.42 0.00 0.00 0.71 0.00 0.00 52.55 54.00 1ip9 s ASP 84 Cb 0.01 -2.18 0.00 0.00 1.01 0.00 0.00 42.92 41.75 1ip9 s ASP 84 CO 0.16 0.02 0.25 2.30 0.21 0.00 0.00 175.17 178.11