#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ip9 n ALA 2 N 0.00 2.14 -3.00 4.61 0.00 -1.26 -5.04 120.51 117.96 1ip9 n ALA 2 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1ip9 n ALA 2 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1ip9 n ALA 2 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.50 177.38 1ip9 n MET 3 N -1.21 3.69 -0.59 0.00 0.00 -1.26 -4.86 117.12 112.89 1ip9 n MET 3 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.70 1ip9 n MET 3 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.22 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 4.61 1.02 1.14 -5.12 0.00 -1.26 -4.99 105.19 100.60 1ip9 n GLY 4 Ca 0.00 -0.17 0.12 0.00 0.00 0.00 0.00 46.02 45.97 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 0.36 3.39 0.00 1.61 7.64 -1.26 -4.98 113.62 120.38 1ip9 n SER 5 Ca 0.00 -1.97 0.00 0.00 1.01 0.00 0.00 58.87 57.91 1ip9 n SER 5 Cb 0.12 -0.30 0.00 0.00 -1.01 0.00 0.00 64.21 63.02 1ip9 n SER 5 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1ip9 n SER 6 N 1.41 0.86 -4.14 6.43 3.41 -1.26 -5.15 113.62 115.18 1ip9 n SER 6 Ca 0.20 0.00 -0.30 0.00 -0.26 0.00 0.00 58.87 58.51 1ip9 n SER 6 Cb 0.58 0.00 -0.17 0.00 -0.26 0.00 0.00 64.21 64.36 1ip9 n SER 6 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1ip9 s THR 7 N -0.73 1.74 0.00 6.66 2.01 -1.26 -5.05 115.64 119.01 1ip9 s THR 7 Ca 0.00 -0.82 0.00 0.00 0.31 0.00 0.00 61.69 61.18 1ip9 s THR 7 Cb 0.00 -1.54 0.00 0.00 0.01 0.00 0.00 72.50 70.97 1ip9 s THR 7 CO 0.00 0.49 0.00 -0.24 -0.69 0.00 0.00 174.62 174.18 1ip9 n SER 8 N 3.80 -2.98 -4.76 3.53 2.88 -1.26 -4.76 113.62 110.08 1ip9 n SER 8 Ca -0.20 0.00 -0.36 0.00 -1.33 0.00 0.00 58.87 56.98 1ip9 n SER 8 Cb 0.52 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 63.90 1ip9 n SER 8 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1ip9 s GLY 9 N -3.44 2.00 -0.22 0.46 0.00 -1.26 -4.96 107.32 99.89 1ip9 s GLY 9 Ca 0.00 -0.72 0.03 0.00 0.00 0.00 0.00 44.72 44.03 1ip9 s GLY 9 CO 0.00 -0.35 0.97 -0.10 0.00 0.00 0.00 173.10 173.63 1ip9 n LEU 10 N 2.38 -0.88 -3.45 0.66 0.00 -1.26 -5.12 117.00 109.33 1ip9 n LEU 10 Ca -0.19 -1.91 0.01 0.00 0.00 0.00 0.00 56.01 53.92 1ip9 n LEU 10 Cb 0.54 0.70 -0.03 0.00 0.00 0.00 0.00 43.42 44.63 1ip9 n LEU 10 CO 0.31 1.26 0.42 -0.54 0.00 0.00 0.00 177.39 178.83 1ip9 s LYS 11 N 0.05 0.43 0.12 1.96 1.02 -1.26 -5.14 119.74 116.92 1ip9 s LYS 11 Ca 0.05 1.02 -0.29 0.00 0.02 0.00 0.00 55.97 56.77 1ip9 s LYS 11 Cb 0.13 0.61 -0.06 0.00 -0.52 0.00 0.00 37.83 37.99 1ip9 s LYS 11 CO -0.03 -0.21 0.92 0.99 -0.92 0.00 0.00 175.35 176.10 1ip9 s THR 12 N 2.71 4.46 -0.18 2.17 2.01 -1.26 -4.83 115.64 120.73 1ip9 s THR 12 Ca -0.01 1.99 -0.29 0.00 0.31 0.00 0.00 61.69 63.69 1ip9 s THR 12 Cb -0.10 -4.29 -0.00 0.00 0.01 0.00 0.00 72.50 68.13 1ip9 s THR 12 CO -0.18 0.36 1.08 -0.89 -0.69 0.00 0.00 174.62 174.31 1ip9 s THR 13 N -0.26 4.60 -0.39 -0.82 2.01 -0.46 -4.74 115.64 115.59 1ip9 s THR 13 Ca 0.44 1.92 -0.26 0.00 0.31 0.00 0.00 61.69 64.10 1ip9 s THR 13 Cb -0.23 -4.24 0.02 0.00 0.01 0.00 0.00 72.50 68.06 1ip9 s THR 13 CO 0.29 -0.12 0.95 -0.75 -0.69 0.00 0.00 174.62 174.30 1ip9 s LYS 14 N 2.92 3.78 0.07 4.92 2.36 -1.26 -2.52 119.74 130.02 1ip9 s LYS 14 Ca 0.48 0.52 0.07 0.00 -2.55 0.00 0.00 55.97 54.49 1ip9 s LYS 14 Cb -0.18 -3.83 -0.03 0.00 -1.05 0.00 0.00 37.83 32.74 1ip9 s LYS 14 CO 0.11 -1.03 -0.20 0.42 1.55 0.00 0.00 175.35 176.19 1ip9 s ILE 15 N 3.62 1.64 -0.15 5.43 1.01 -0.92 -4.86 121.20 126.97 1ip9 s ILE 15 Ca 0.39 -1.33 0.02 0.00 0.00 0.00 0.00 60.65 59.73 1ip9 s ILE 15 Cb -0.11 -1.46 0.02 0.00 0.01 0.00 0.00 42.46 40.92 1ip9 s ILE 15 CO 0.21 0.07 -0.19 -0.54 0.00 0.00 0.00 174.94 174.49 1ip9 s LYS 16 N -1.49 2.79 0.65 2.79 1.02 -1.26 -1.02 119.74 123.23 1ip9 s LYS 16 Ca 0.06 -0.76 -0.10 0.00 0.02 0.00 0.00 55.97 55.19 1ip9 s LYS 16 Cb -0.09 -2.36 -0.01 0.00 -0.52 0.00 0.00 37.83 34.85 1ip9 s LYS 16 CO 0.03 -0.12 1.04 -0.06 -0.92 0.00 0.00 175.35 175.31 1ip9 s PHE 17 N 1.10 3.43 -0.51 3.18 0.40 0.16 -0.69 117.98 125.04 1ip9 s PHE 17 Ca -0.01 1.07 0.07 0.00 -0.60 0.00 0.00 56.93 57.46 1ip9 s PHE 17 Cb -0.14 -2.88 0.24 0.00 0.51 0.00 0.00 43.02 40.75 1ip9 s PHE 17 CO -0.07 -0.93 0.61 0.66 0.70 0.00 0.00 175.22 176.19 1ip9 n TYR 18 N -2.84 1.46 -2.28 0.36 4.02 0.45 -2.84 117.16 115.51 1ip9 n TYR 18 Ca 0.06 -3.83 -0.43 0.00 -0.01 0.00 0.00 57.90 53.69 1ip9 n TYR 18 Cb 0.56 -0.43 -0.02 0.00 -0.02 0.00 0.00 39.34 39.43 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 -1.71 2.34 0.00 -0.72 5.04 -0.87 -1.71 117.35 119.73 1ip9 s TYR 19 Ca 0.37 0.69 0.00 0.00 -2.44 0.00 0.00 57.07 55.69 1ip9 s TYR 19 Cb 0.15 -4.13 0.00 0.00 0.35 0.00 0.00 41.96 38.34 1ip9 s TYR 19 CO -0.07 -2.21 0.00 1.63 -1.34 0.00 0.00 175.55 173.56 1ip9 n LYS 20 N 7.85 0.00 0.00 4.97 5.02 -1.03 -1.12 118.16 133.86 1ip9 n LYS 20 Ca 0.17 0.00 0.13 0.00 -2.02 0.00 0.00 58.31 56.59 1ip9 n LYS 20 Cb 0.47 0.00 0.37 0.00 -0.02 0.00 0.00 35.03 35.85 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 0.53 0.34 -4.88 4.39 8.00 -1.26 -4.85 116.55 118.82 1ip9 n ASP 21 Ca 0.00 0.03 -0.29 0.00 0.71 0.00 0.00 54.79 55.23 1ip9 n ASP 21 Cb 0.00 -0.02 -0.00 0.00 -0.02 0.00 0.00 41.12 41.08 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 -3.07 6.30 -0.05 -2.24 1.11 -0.27 -5.09 116.67 113.37 1ip9 s ASP 22 Ca 0.12 1.19 -0.13 0.00 0.18 0.00 0.00 52.55 53.91 1ip9 s ASP 22 Cb 0.18 -2.36 0.02 0.00 1.07 0.00 0.00 42.92 41.83 1ip9 s ASP 22 CO 0.64 -0.68 0.30 -0.63 1.18 0.00 0.00 175.17 175.98 1ip9 s ILE 23 N -2.87 0.04 0.34 0.77 1.09 -1.26 -2.04 121.20 117.27 1ip9 s ILE 23 Ca 0.52 -0.33 0.05 0.00 -1.10 0.00 0.00 60.65 59.78 1ip9 s ILE 23 Cb -0.11 -0.54 -0.02 0.00 -1.06 0.00 0.00 42.46 40.74 1ip9 s ILE 23 CO 0.46 -0.18 0.16 2.22 -0.10 0.00 0.00 174.94 177.50 1ip9 n PHE 24 N 1.84 -0.12 -3.81 3.97 -1.74 -1.13 -4.95 117.46 111.52 1ip9 n PHE 24 Ca -0.19 -2.37 -0.12 0.00 -0.56 0.00 0.00 57.45 54.21 1ip9 n PHE 24 Cb 0.57 0.07 -0.12 0.00 1.52 0.00 0.00 39.48 41.52 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 -3.05 -0.50 0.17 1.98 0.00 -1.26 -0.67 121.76 118.43 1ip9 s ALA 25 Ca 0.23 0.51 0.11 0.00 0.00 0.00 0.00 51.96 52.81 1ip9 s ALA 25 Cb 0.01 -0.29 -0.04 0.00 0.00 0.00 0.00 23.12 22.80 1ip9 s ALA 25 CO 0.16 -0.11 -0.23 -1.17 0.00 0.00 0.00 175.76 174.41 1ip9 s LEU 26 N -0.07 2.40 -0.29 0.00 2.96 -0.19 -4.95 118.68 118.55 1ip9 s LEU 26 Ca -0.02 -0.83 -0.03 0.00 -0.22 0.00 0.00 54.13 53.03 1ip9 s LEU 26 Cb -0.02 -1.09 0.04 0.00 0.50 0.00 0.00 46.19 45.61 1ip9 s LEU 26 CO 0.01 0.10 0.02 -0.04 -1.32 0.00 0.00 176.35 175.11 1ip9 s MET 27 N -2.53 2.67 -0.00 1.98 -1.94 -1.26 -2.17 119.30 116.05 1ip9 s MET 27 Ca 0.18 -1.11 -0.16 0.00 -1.71 0.00 0.00 55.69 52.88 1ip9 s MET 27 Cb -0.08 -3.22 -0.06 0.00 2.01 0.00 0.00 34.83 33.48 1ip9 s MET 27 CO 0.08 -0.55 0.45 -0.51 -0.01 0.00 0.00 175.02 174.48 1ip9 s LEU 28 N 1.34 4.46 0.00 -0.03 2.01 -1.05 -4.80 118.68 120.61 1ip9 s LEU 28 Ca -0.02 1.00 0.19 0.00 0.01 0.00 0.00 54.13 55.31 1ip9 s LEU 28 Cb -0.19 -2.65 0.31 0.00 0.01 0.00 0.00 46.19 43.67 1ip9 s LEU 28 CO -0.01 0.27 1.25 1.17 1.01 0.00 0.00 176.35 180.04 1ip9 n LYS 29 N 2.05 2.13 0.00 1.70 4.81 -1.26 -1.35 118.16 126.24 1ip9 n LYS 29 Ca -0.12 -1.98 0.00 0.00 -0.87 0.00 0.00 58.31 55.34 1ip9 n LYS 29 Cb 0.52 -1.41 0.00 0.00 0.02 0.00 0.00 35.03 34.16 1ip9 n LYS 29 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1ip9 n GLY 30 N 1.16 1.65 0.01 3.14 0.00 -1.26 -4.88 105.19 105.00 1ip9 n GLY 30 Ca 0.15 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.28 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 0.54 -4.68 1.61 5.75 -1.26 -4.96 116.55 113.56 1ip9 n ASP 31 Ca 0.00 -0.44 -0.44 0.00 -0.01 0.00 0.00 54.79 53.90 1ip9 n ASP 31 Cb 0.00 1.31 -0.02 0.00 -1.03 0.00 0.00 41.12 41.39 1ip9 n ASP 31 CO 0.00 0.00 0.00 0.41 -0.11 0.00 0.00 177.20 177.50 1ip9 n THR 32 N -1.89 1.52 -3.77 2.12 -1.04 -1.26 -5.00 114.28 104.96 1ip9 n THR 32 Ca 0.01 -0.38 -0.11 0.00 -2.04 0.00 0.00 64.05 61.52 1ip9 n THR 32 Cb 0.44 -1.49 -0.00 0.00 -1.82 0.00 0.00 70.33 67.46 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 1.05 0.00 0.05 12.58 -2.24 -1.26 -4.65 114.28 119.81 1ip9 n THR 33 Ca 0.08 -0.90 -0.17 0.00 -2.27 0.00 0.00 64.05 60.80 1ip9 n THR 33 Cb 0.34 -0.22 -0.14 0.00 -2.10 0.00 0.00 70.33 68.20 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 0.66 0.43 0.00 4.78 3.20 -1.83 -2.40 116.97 121.81 1ip9 h TYR 34 Ca -0.15 -0.31 -0.02 0.00 3.14 0.00 0.00 58.73 61.39 1ip9 h TYR 34 Cb 0.52 -0.02 -0.00 0.00 1.54 0.00 0.00 36.73 38.77 1ip9 h TYR 34 CO 0.00 1.39 -0.08 0.87 -1.64 0.00 0.00 178.16 178.71 1ip9 h LYS 35 N 0.06 0.00 0.10 1.82 1.57 -1.96 -0.90 116.57 117.26 1ip9 h LYS 35 Ca -0.26 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.52 1ip9 h LYS 35 Cb 2.02 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.33 1ip9 h LYS 35 CO 0.15 0.08 -0.05 1.49 -0.57 0.00 0.00 179.45 180.55 1ip9 h GLU 36 N 0.00 -0.13 -0.87 3.15 4.57 -1.95 -2.76 114.58 116.60 1ip9 h GLU 36 Ca -0.00 0.01 0.12 0.00 -1.18 0.00 0.00 59.36 58.31 1ip9 h GLU 36 Cb 0.81 0.03 -0.07 0.00 -0.16 0.00 0.00 28.75 29.36 1ip9 h GLU 36 CO 0.01 0.39 0.56 1.25 -1.18 0.00 0.00 179.01 180.04 1ip9 h LEU 37 N -0.86 0.70 -0.23 1.64 5.85 -1.34 -0.09 115.31 120.98 1ip9 h LEU 37 Ca -0.01 0.03 0.02 0.00 0.84 0.00 0.00 57.88 58.76 1ip9 h LEU 37 Cb 0.57 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.47 1ip9 h LEU 37 CO 0.02 0.38 0.10 0.03 -0.34 0.00 0.00 178.44 178.63 1ip9 h ARG 38 N 0.76 0.21 0.00 1.25 3.08 -1.11 0.11 114.38 118.68 1ip9 h ARG 38 Ca 0.42 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.46 1ip9 h ARG 38 Cb 0.58 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.58 1ip9 h ARG 38 CO -0.19 0.14 0.00 1.03 -1.07 0.00 0.00 179.97 179.88 1ip9 h SER 39 N 0.22 0.00 1.28 7.04 0.87 -0.96 -1.52 113.55 120.48 1ip9 h SER 39 Ca 0.10 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.66 1ip9 h SER 39 Cb 0.04 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.00 1ip9 h SER 39 CO -0.08 0.00 -0.57 0.11 -0.53 0.00 0.00 176.83 175.76 1ip9 h LYS 40 N 0.00 0.00 0.00 2.24 1.57 0.20 -3.37 116.57 117.21 1ip9 h LYS 40 Ca 0.00 0.00 -0.39 0.00 -1.87 0.00 0.00 60.65 58.39 1ip9 h LYS 40 Cb 0.64 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 32.88 1ip9 h LYS 40 CO 0.00 0.00 -2.47 -0.89 -0.57 0.00 0.00 179.45 175.52 1ip9 n ILE 41 N -2.63 1.49 -0.32 1.86 5.41 0.27 -4.22 119.36 121.22 1ip9 n ILE 41 Ca 0.02 -0.58 0.03 0.00 1.00 0.00 0.00 62.75 63.22 1ip9 n ILE 41 Cb 0.51 -1.39 0.10 0.00 -0.71 0.00 0.00 39.64 38.15 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 0.04 0.47 0.00 -1.39 0.00 -1.43 0.59 119.26 117.53 1ip9 h ALA 42 Ca -0.58 0.32 -0.12 0.00 0.00 0.00 0.00 54.91 54.54 1ip9 h ALA 42 Cb 1.91 0.75 -0.02 0.00 0.00 0.00 0.00 17.79 20.44 1ip9 h ALA 42 CO -0.08 -0.46 -0.56 -1.00 0.00 0.00 0.00 179.25 177.15 1ip9 h PRO 43 N -0.01 0.00 -0.00 0.00 0.13 -1.78 -1.50 132.00 128.84 1ip9 h PRO 43 Ca 0.40 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.53 1ip9 h PRO 43 Cb 0.64 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.77 1ip9 h PRO 43 CO -0.92 0.56 -0.06 0.54 -0.23 0.00 0.00 178.00 177.88 1ip9 n ARG 44 N -3.79 0.56 -0.10 0.86 1.74 0.16 -3.57 116.66 112.52 1ip9 n ARG 44 Ca -0.01 -0.11 -0.12 0.00 -0.77 0.00 0.00 57.85 56.84 1ip9 n ARG 44 Cb 0.58 -1.50 -0.13 0.00 -1.02 0.00 0.00 32.46 30.39 1ip9 n ARG 44 CO 0.00 0.00 0.00 -0.89 -1.52 0.00 0.00 177.63 175.22 1ip9 n ILE 45 N -1.12 1.29 -0.38 0.55 5.41 0.13 -4.98 119.36 120.25 1ip9 n ILE 45 Ca 0.14 -0.66 0.00 0.00 1.00 0.00 0.00 62.75 63.23 1ip9 n ILE 45 Cb 0.26 -0.86 0.00 0.00 -0.71 0.00 0.00 39.64 38.33 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 -2.89 -1.03 -3.96 4.38 8.00 -0.62 -5.04 116.55 115.39 1ip9 n ASP 46 Ca -0.35 0.00 -0.13 0.00 0.71 0.00 0.00 54.79 55.02 1ip9 n ASP 46 Cb 1.03 -0.17 -0.09 0.00 -0.02 0.00 0.00 41.12 41.87 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 -2.08 0.00 -0.55 -3.53 -1.32 -1.13 -5.05 115.64 101.98 1ip9 s THR 47 Ca 0.00 -1.88 0.14 0.00 -1.21 0.00 0.00 61.69 58.74 1ip9 s THR 47 Cb 0.00 -2.47 -0.16 0.00 -1.51 0.00 0.00 72.50 68.36 1ip9 s THR 47 CO 0.00 0.00 0.54 -0.90 -2.21 0.00 0.00 174.62 172.05 1ip9 n ASP 48 N -0.59 0.83 -4.15 8.08 5.75 -1.26 -4.45 116.55 120.76 1ip9 n ASP 48 Ca 0.02 -0.69 -0.33 0.00 -0.01 0.00 0.00 54.79 53.78 1ip9 n ASP 48 Cb 0.64 1.10 -0.15 0.00 -1.03 0.00 0.00 41.12 41.69 1ip9 n ASP 48 CO 0.00 0.00 0.00 0.20 -0.11 0.00 0.00 177.20 177.29 1ip9 s ASN 49 N -2.51 3.99 -0.02 -1.12 -0.87 -1.26 -4.98 114.94 108.16 1ip9 s ASN 49 Ca 0.04 -0.91 -0.20 0.00 -1.57 0.00 0.00 52.86 50.21 1ip9 s ASN 49 Cb 0.10 -1.58 0.04 0.00 -0.02 0.00 0.00 41.25 39.79 1ip9 s ASN 49 CO 0.57 -0.10 0.44 0.72 -2.57 0.00 0.00 177.10 176.16 1ip9 s PHE 50 N 1.27 -0.35 -0.15 2.20 -0.71 -1.26 -1.69 117.98 117.30 1ip9 s PHE 50 Ca -0.00 0.54 -0.06 0.00 -1.04 0.00 0.00 56.93 56.36 1ip9 s PHE 50 Cb -0.16 0.21 -0.04 0.00 -1.21 0.00 0.00 43.02 41.82 1ip9 s PHE 50 CO -0.07 -0.48 0.08 0.15 -1.34 0.00 0.00 175.22 173.55 1ip9 s LYS 51 N -1.43 3.63 -0.13 1.99 1.02 -0.53 -4.86 119.74 119.43 1ip9 s LYS 51 Ca -0.12 -0.29 -0.01 0.00 0.02 0.00 0.00 55.97 55.58 1ip9 s LYS 51 Cb -0.03 -3.13 -0.02 0.00 -0.52 0.00 0.00 37.83 34.13 1ip9 s LYS 51 CO 0.05 0.51 -0.11 -0.51 -0.92 0.00 0.00 175.35 174.37 1ip9 s LEU 52 N -0.30 2.83 0.31 3.17 1.43 -1.26 -1.38 118.68 123.48 1ip9 s LEU 52 Ca 0.09 -0.28 0.03 0.00 -1.03 0.00 0.00 54.13 52.95 1ip9 s LEU 52 Cb -0.12 -1.64 -0.04 0.00 0.03 0.00 0.00 46.19 44.42 1ip9 s LEU 52 CO 0.01 0.18 0.15 -1.10 0.23 0.00 0.00 176.35 175.82 1ip9 s GLN 53 N 0.26 1.60 -1.14 1.70 1.11 -0.68 -0.97 119.66 121.54 1ip9 s GLN 53 Ca -0.08 -1.92 -0.19 0.00 0.01 0.00 0.00 55.36 53.19 1ip9 s GLN 53 Cb -0.15 -0.18 0.10 0.00 -1.01 0.00 0.00 33.01 31.76 1ip9 s GLN 53 CO 0.05 -0.43 1.49 0.95 0.01 0.00 0.00 175.29 177.36 1ip9 s THR 54 N -3.58 4.37 -0.40 -0.19 -4.23 -1.05 -1.13 115.64 109.44 1ip9 s THR 54 Ca 0.35 -1.71 -0.17 0.00 -1.18 0.00 0.00 61.69 58.98 1ip9 s THR 54 Cb 0.05 -5.03 -0.10 0.00 1.34 0.00 0.00 72.50 68.76 1ip9 s THR 54 CO 0.17 -1.83 1.22 1.17 -0.54 0.00 0.00 174.62 174.81 1ip9 n LYS 55 N 7.61 0.00 0.00 3.99 0.00 0.86 -2.67 118.16 127.94 1ip9 n LYS 55 Ca 0.38 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.69 1ip9 n LYS 55 Cb 0.47 -0.73 0.00 0.00 0.00 0.00 0.00 35.03 34.77 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 4.58 0.00 0.00 3.14 4.77 -1.26 -4.41 117.00 123.82 1ip9 n LEU 56 Ca 0.30 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.28 1ip9 n LEU 56 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1ip9 n LEU 56 CO 0.45 0.00 0.00 2.22 -1.33 0.00 0.00 177.39 178.73 1ip9 n PHE 57 N 0.00 0.00 0.08 -1.77 1.16 -1.26 -4.92 117.46 110.75 1ip9 n PHE 57 Ca 0.00 0.00 -0.02 0.00 -1.87 0.00 0.00 57.45 55.56 1ip9 n PHE 57 Cb 0.00 0.00 -0.05 0.00 -1.61 0.00 0.00 39.48 37.82 1ip9 n PHE 57 CO 0.00 0.00 0.00 0.38 -1.87 0.00 0.00 176.76 175.27 1ip9 h ASP 58 N 0.00 0.00 0.00 5.98 2.03 -2.00 -3.48 116.42 118.95 1ip9 h ASP 58 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 1ip9 h ASP 58 Cb 0.00 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.50 1ip9 h ASP 58 CO 0.00 0.70 0.00 0.61 -1.03 0.00 0.00 179.24 179.52 1ip9 n GLY 59 N 1.32 -2.30 3.28 7.15 0.00 -1.26 -5.16 105.19 108.22 1ip9 n GLY 59 Ca -0.02 0.76 -0.10 0.00 0.00 0.00 0.00 46.02 46.67 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 2.00 0.11 0.00 1.61 1.04 -1.26 -4.43 113.70 112.77 1ip9 s SER 60 Ca 0.00 -0.95 0.00 0.00 0.48 0.00 0.00 55.95 55.48 1ip9 s SER 60 Cb 0.00 0.40 0.00 0.00 0.10 0.00 0.00 66.02 66.52 1ip9 s SER 60 CO 0.00 -0.85 0.00 0.61 0.98 0.00 0.00 173.24 173.98 1ip9 n GLY 61 N -0.18 5.87 3.44 7.32 0.00 -1.09 -4.68 105.19 115.88 1ip9 n GLY 61 Ca -0.07 -1.88 -0.46 0.00 0.00 0.00 0.00 46.02 43.60 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 -1.55 1.61 -0.58 -1.26 -3.93 120.64 115.26 1ip9 n GLU 62 Ca 0.00 0.05 -0.31 0.00 -0.42 0.00 0.00 57.16 56.48 1ip9 n GLU 62 Cb 0.00 -1.95 -0.05 0.00 -0.57 0.00 0.00 31.44 28.88 1ip9 n GLU 62 CO 0.00 0.00 0.00 -1.91 -0.48 0.00 0.00 177.13 174.74 1ip9 n GLU 63 N 8.30 0.88 -1.65 3.49 2.13 -1.26 -2.54 120.64 129.98 1ip9 n GLU 63 Ca 0.55 -0.21 -0.53 0.00 0.66 0.00 0.00 57.16 57.63 1ip9 n GLU 63 Cb 0.12 -3.42 -0.06 0.00 0.27 0.00 0.00 31.44 28.35 1ip9 n GLU 63 CO 0.00 0.00 0.00 -0.89 -0.41 0.00 0.00 177.13 175.83 1ip9 n ILE 64 N 8.15 0.17 -1.89 6.31 -0.00 -0.14 -4.78 119.36 127.18 1ip9 n ILE 64 Ca 0.41 -0.03 0.00 0.00 -0.00 0.00 0.00 62.75 63.13 1ip9 n ILE 64 Cb 0.50 -1.14 0.00 0.00 -0.00 0.00 0.00 39.64 38.99 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 4.03 0.00 -3.62 0.38 4.76 -1.26 -4.55 118.16 117.90 1ip9 n LYS 65 Ca 0.21 -0.40 -0.16 0.00 -2.87 0.00 0.00 58.31 55.10 1ip9 n LYS 65 Cb 0.19 -0.23 -0.07 0.00 -1.84 0.00 0.00 35.03 33.08 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 0.03 0.65 -0.18 -4.23 -1.26 -4.99 115.64 105.65 1ip9 s THR 66 Ca 0.00 -0.21 0.25 0.00 -1.18 0.00 0.00 61.69 60.55 1ip9 s THR 66 Cb 0.00 -0.85 0.27 0.00 1.34 0.00 0.00 72.50 73.26 1ip9 s THR 66 CO 0.00 -0.11 1.73 0.44 -0.54 0.00 0.00 174.62 176.14 1ip9 h ASP 67 N 3.31 0.00 0.23 3.99 5.19 -1.93 0.27 116.42 127.48 1ip9 h ASP 67 Ca -0.28 0.00 -0.31 0.00 -0.62 0.00 0.00 57.03 55.81 1ip9 h ASP 67 Cb 1.16 0.00 0.03 0.00 0.18 0.00 0.00 39.33 40.70 1ip9 h ASP 67 CO 0.40 0.00 -1.40 -1.28 -3.12 0.00 0.00 179.24 173.83 1ip9 h SER 68 N 0.00 0.75 -0.28 6.45 0.87 -1.96 -1.78 113.55 117.61 1ip9 h SER 68 Ca 0.06 -0.93 -0.04 0.00 -1.23 0.00 0.00 61.79 59.65 1ip9 h SER 68 Cb 1.09 -0.24 -0.02 0.00 -0.44 0.00 0.00 62.40 62.79 1ip9 h SER 68 CO -0.00 1.67 0.05 1.56 -0.53 0.00 0.00 176.83 179.58 1ip9 h GLN 69 N 0.04 0.56 0.01 2.24 1.08 -0.86 0.24 115.11 118.41 1ip9 h GLN 69 Ca -0.25 -0.11 -0.00 0.00 -1.45 0.00 0.00 58.65 56.84 1ip9 h GLN 69 Cb 2.07 -0.09 0.00 0.00 -0.05 0.00 0.00 27.48 29.41 1ip9 h GLN 69 CO 0.24 0.55 -0.00 0.28 -0.95 0.00 0.00 178.83 178.94 1ip9 h VAL 70 N 0.54 1.53 0.00 -0.54 2.07 -1.47 -0.71 116.25 117.67 1ip9 h VAL 70 Ca 0.12 -1.67 0.00 0.00 0.82 0.00 0.00 66.70 65.97 1ip9 h VAL 70 Cb 0.28 2.65 0.00 0.00 -1.52 0.00 0.00 31.29 32.69 1ip9 h VAL 70 CO 0.00 0.43 0.00 0.28 0.02 0.00 0.00 177.57 178.30 1ip9 h SER 71 N -0.74 0.00 0.10 0.57 0.02 -1.12 0.28 113.55 112.65 1ip9 h SER 71 Ca -0.00 0.00 -0.18 0.00 -0.84 0.00 0.00 61.79 60.77 1ip9 h SER 71 Cb 0.71 0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.26 1ip9 h SER 71 CO 0.00 0.00 -0.88 -1.13 -1.14 0.00 0.00 176.83 173.68 1ip9 h ASN 72 N 0.00 0.32 0.43 3.07 -1.24 -0.35 -0.82 115.58 116.99 1ip9 h ASN 72 Ca 0.00 -0.90 0.00 0.00 0.71 0.00 0.00 56.30 56.11 1ip9 h ASN 72 Cb 0.15 -0.10 0.00 0.00 0.73 0.00 0.00 38.32 39.10 1ip9 h ASN 72 CO 0.00 1.40 0.00 0.40 -1.29 0.00 0.00 177.43 177.94 1ip9 h ILE 73 N -0.52 0.00 0.15 2.57 5.03 0.16 0.95 117.51 125.85 1ip9 h ILE 73 Ca -0.18 -0.18 -0.22 0.00 -0.12 0.00 0.00 64.86 64.16 1ip9 h ILE 73 Cb 1.53 0.99 0.02 0.00 -3.03 0.00 0.00 36.82 36.33 1ip9 h ILE 73 CO 0.07 0.00 -1.00 0.40 -0.68 0.00 0.00 178.15 176.94 1ip9 h ILE 74 N 0.00 1.40 0.00 -0.67 2.04 -0.36 0.50 117.51 120.41 1ip9 h ILE 74 Ca 0.00 -2.53 0.00 0.00 1.00 0.00 0.00 64.86 63.33 1ip9 h ILE 74 Cb 0.21 3.09 0.00 0.00 -0.74 0.00 0.00 36.82 39.39 1ip9 h ILE 74 CO 0.00 0.72 0.00 1.56 0.00 0.00 0.00 178.15 180.43 1ip9 h GLN 75 N -0.31 0.00 -0.04 2.37 4.20 -0.32 -3.21 115.11 117.81 1ip9 h GLN 75 Ca -0.19 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.52 1ip9 h GLN 75 Cb 1.72 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.50 1ip9 h GLN 75 CO 0.15 0.00 0.00 0.00 -0.67 0.00 0.00 178.83 178.31 1ip9 n ALA 76 N -1.99 2.38 -3.53 3.87 0.00 0.25 -4.55 120.51 116.93 1ip9 n ALA 76 Ca 0.04 -0.67 -0.32 0.00 0.00 0.00 0.00 53.44 52.49 1ip9 n ALA 76 Cb 0.48 -0.14 0.03 0.00 0.00 0.00 0.00 19.45 19.81 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 0.13 -1.84 -3.99 0.00 4.81 0.16 -4.92 118.16 112.51 1ip9 n LYS 77 Ca 0.03 1.29 -0.35 0.00 -0.87 0.00 0.00 58.31 58.40 1ip9 n LYS 77 Cb 0.16 -2.47 -0.08 0.00 0.02 0.00 0.00 35.03 32.65 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 -3.23 3.98 0.15 3.14 2.01 -0.46 -5.01 118.68 119.27 1ip9 s LEU 78 Ca 0.26 0.21 -0.31 0.00 0.01 0.00 0.00 54.13 54.30 1ip9 s LEU 78 Cb -0.03 -1.99 -0.09 0.00 0.01 0.00 0.00 46.19 44.09 1ip9 s LEU 78 CO 0.87 0.27 1.47 -0.54 1.01 0.00 0.00 176.35 179.43 1ip9 s LYS 79 N -0.18 4.27 0.17 1.70 1.02 -1.26 -4.54 119.74 120.91 1ip9 s LYS 79 Ca 0.08 2.22 -0.01 0.00 0.02 0.00 0.00 55.97 58.28 1ip9 s LYS 79 Cb -0.12 -3.19 -0.04 0.00 -0.52 0.00 0.00 37.83 33.95 1ip9 s LYS 79 CO 0.01 -0.51 0.36 0.42 -0.92 0.00 0.00 175.35 174.71 1ip9 s ILE 80 N 1.00 5.22 -0.04 2.17 -1.09 0.13 0.30 121.20 128.89 1ip9 s ILE 80 Ca 0.66 -0.29 0.07 0.00 -2.23 0.00 0.00 60.65 58.86 1ip9 s ILE 80 Cb -0.40 -3.69 -0.02 0.00 -1.58 0.00 0.00 42.46 36.76 1ip9 s ILE 80 CO 0.32 -0.08 -0.24 -0.94 -1.23 0.00 0.00 174.94 172.77 1ip9 s SER 81 N -2.92 3.19 -0.12 3.58 1.04 -0.28 0.17 113.70 118.37 1ip9 s SER 81 Ca 0.38 -0.45 0.03 0.00 0.48 0.00 0.00 55.95 56.39 1ip9 s SER 81 Cb -0.11 -0.62 -0.00 0.00 0.10 0.00 0.00 66.02 65.39 1ip9 s SER 81 CO 0.28 0.29 -0.21 -0.69 0.98 0.00 0.00 173.24 173.89 1ip9 s VAL 82 N -0.43 2.28 0.31 5.02 1.01 -0.69 -1.69 120.40 126.21 1ip9 s VAL 82 Ca 0.05 -0.93 0.10 0.00 0.00 0.00 0.00 61.98 61.19 1ip9 s VAL 82 Cb -0.12 -1.90 -0.05 0.00 0.00 0.00 0.00 36.38 34.31 1ip9 s VAL 82 CO 0.01 0.55 -0.03 -1.00 0.00 0.00 0.00 175.10 174.63 1ip9 s HIS 83 N 0.49 2.55 -0.12 5.22 3.76 -0.48 -2.45 115.29 124.26 1ip9 s HIS 83 Ca -0.14 -0.35 -0.13 0.00 -0.15 0.00 0.00 55.06 54.29 1ip9 s HIS 83 Cb -0.17 -1.32 -0.05 0.00 1.11 0.00 0.00 32.58 32.15 1ip9 s HIS 83 CO 0.05 0.56 0.29 -0.51 -0.85 0.00 0.00 174.74 174.28 1ip9 s ASP 84 N -3.67 6.51 0.00 1.40 1.01 -1.26 -1.45 116.67 119.21 1ip9 s ASP 84 Ca 0.33 0.60 0.00 0.00 0.71 0.00 0.00 52.55 54.19 1ip9 s ASP 84 Cb -0.03 -2.18 0.00 0.00 1.01 0.00 0.00 42.92 41.72 1ip9 s ASP 84 CO 0.19 0.21 0.00 2.30 0.21 0.00 0.00 175.17 178.07