#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 4.49 -0.06 4.61 0.00 -1.26 -5.15 121.76 124.39 1ip9 s ALA 2 Ca 0.00 -1.06 -0.20 0.00 0.00 0.00 0.00 51.96 50.69 1ip9 s ALA 2 Cb 0.00 -0.67 0.04 0.00 0.00 0.00 0.00 23.12 22.50 1ip9 s ALA 2 CO 0.00 -0.44 0.47 0.00 0.00 0.00 0.00 175.76 175.78 1ip9 s MET 3 N -4.28 0.77 -0.02 0.00 0.00 -1.26 -5.05 119.30 109.46 1ip9 s MET 3 Ca 0.30 0.14 0.10 0.00 0.00 0.00 0.00 55.69 56.22 1ip9 s MET 3 Cb -0.02 0.36 -0.23 0.00 0.00 0.00 0.00 34.83 34.93 1ip9 s MET 3 CO 0.19 -0.21 0.73 0.78 0.00 0.00 0.00 175.02 176.52 1ip9 h GLY 4 N 3.91 0.04 -0.97 3.16 0.00 -2.10 -3.47 103.07 103.63 1ip9 h GLY 4 Ca -0.28 -0.10 -0.32 0.00 0.00 0.00 0.00 47.33 46.63 1ip9 h GLY 4 CO 0.35 0.09 -0.17 1.44 0.00 0.00 0.00 176.54 178.25 1ip9 n SER 5 N -3.14 -3.81 -3.63 0.19 7.64 -1.26 -5.05 113.62 104.57 1ip9 n SER 5 Ca -0.16 -0.72 -0.06 0.00 1.01 0.00 0.00 58.87 58.95 1ip9 n SER 5 Cb 1.04 -0.94 -0.06 0.00 -1.01 0.00 0.00 64.21 63.24 1ip9 n SER 5 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1ip9 s SER 6 N -2.74 -0.20 -0.02 6.43 0.15 -1.26 -5.12 113.70 110.93 1ip9 s SER 6 Ca 0.57 0.30 -0.30 0.00 0.70 0.00 0.00 55.95 57.22 1ip9 s SER 6 Cb -0.11 0.27 -0.06 0.00 -1.71 0.00 0.00 66.02 64.42 1ip9 s SER 6 CO 0.49 -0.13 1.55 0.42 1.20 0.00 0.00 173.24 176.77 1ip9 s THR 7 N -0.55 3.56 -0.36 6.45 -4.23 -1.26 -4.97 115.64 114.28 1ip9 s THR 7 Ca 0.05 0.84 -0.15 0.00 -1.18 0.00 0.00 61.69 61.25 1ip9 s THR 7 Cb -0.03 -3.54 -0.01 0.00 1.34 0.00 0.00 72.50 70.27 1ip9 s THR 7 CO -0.07 -0.04 0.32 -0.55 -0.54 0.00 0.00 174.62 173.74 1ip9 s SER 8 N 2.64 6.13 0.32 3.99 0.15 -1.26 -5.06 113.70 120.62 1ip9 s SER 8 Ca 0.69 -0.44 0.05 0.00 0.70 0.00 0.00 55.95 56.95 1ip9 s SER 8 Cb -0.33 -2.18 -0.06 0.00 -1.71 0.00 0.00 66.02 61.74 1ip9 s SER 8 CO 0.28 -0.35 0.02 -0.83 1.20 0.00 0.00 173.24 173.56 1ip9 s GLY 9 N 1.73 2.04 0.06 9.45 0.00 -1.26 -5.16 107.32 114.17 1ip9 s GLY 9 Ca 0.09 -2.04 0.00 0.00 0.00 0.00 0.00 44.72 42.78 1ip9 s GLY 9 CO 0.11 -1.85 0.01 1.04 0.00 0.00 0.00 173.10 172.41 1ip9 n LEU 10 N -0.68 0.00 -4.42 0.66 4.32 -1.26 -5.13 117.00 110.49 1ip9 n LEU 10 Ca -0.04 -0.40 -0.36 0.00 -0.02 0.00 0.00 56.01 55.20 1ip9 n LEU 10 Cb 0.66 0.09 -0.13 0.00 -1.62 0.00 0.00 43.42 42.42 1ip9 n LEU 10 CO 0.42 -0.06 -0.32 -0.54 -1.22 0.00 0.00 177.39 175.68 1ip9 s LYS 11 N -2.21 3.58 -0.08 3.23 1.02 -1.26 -5.00 119.74 119.02 1ip9 s LYS 11 Ca 0.01 -0.52 -0.37 0.00 0.02 0.00 0.00 55.97 55.11 1ip9 s LYS 11 Cb 0.00 -3.18 -0.15 0.00 -0.52 0.00 0.00 37.83 33.98 1ip9 s LYS 11 CO 0.01 -0.13 1.62 0.25 -0.92 0.00 0.00 175.35 176.18 1ip9 n THR 12 N 4.69 0.22 -3.17 2.17 -2.24 -1.25 -4.76 114.28 109.94 1ip9 n THR 12 Ca -0.17 -0.04 -0.39 0.00 -2.27 0.00 0.00 64.05 61.18 1ip9 n THR 12 Cb 0.51 -1.24 -0.05 0.00 -2.10 0.00 0.00 70.33 67.45 1ip9 n THR 12 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1ip9 s THR 13 N 2.36 4.94 -0.38 4.28 2.01 -0.53 -4.72 115.64 123.61 1ip9 s THR 13 Ca 0.91 1.29 -0.23 0.00 0.31 0.00 0.00 61.69 63.96 1ip9 s THR 13 Cb -0.93 -3.96 0.01 0.00 0.01 0.00 0.00 72.50 67.64 1ip9 s THR 13 CO 0.54 0.38 0.80 -0.75 -0.69 0.00 0.00 174.62 174.90 1ip9 s LYS 14 N 0.07 3.71 -0.17 4.92 2.20 -1.26 -2.42 119.74 126.80 1ip9 s LYS 14 Ca 0.32 0.28 0.01 0.00 -0.36 0.00 0.00 55.97 56.22 1ip9 s LYS 14 Cb -0.18 -3.83 0.02 0.00 -1.51 0.00 0.00 37.83 32.34 1ip9 s LYS 14 CO 0.17 -0.90 -0.17 0.42 -0.36 0.00 0.00 175.35 174.52 1ip9 s ILE 15 N 3.17 1.83 -0.34 5.43 1.01 -0.63 -4.76 121.20 126.90 1ip9 s ILE 15 Ca 0.32 -0.82 -0.17 0.00 0.00 0.00 0.00 60.65 59.99 1ip9 s ILE 15 Cb -0.13 -1.69 -0.01 0.00 0.01 0.00 0.00 42.46 40.64 1ip9 s ILE 15 CO 0.18 0.48 0.44 -0.54 0.00 0.00 0.00 174.94 175.50 1ip9 s LYS 16 N 1.38 3.62 0.73 2.79 -0.14 -1.26 -0.34 119.74 126.53 1ip9 s LYS 16 Ca 0.05 -0.25 -0.11 0.00 -1.36 0.00 0.00 55.97 54.29 1ip9 s LYS 16 Cb -0.13 -3.80 0.04 0.00 -1.68 0.00 0.00 37.83 32.26 1ip9 s LYS 16 CO -0.12 -0.56 1.11 -0.06 -0.76 0.00 0.00 175.35 174.96 1ip9 s PHE 17 N 2.20 3.19 -0.46 3.18 0.40 0.34 -0.66 117.98 126.16 1ip9 s PHE 17 Ca 0.15 0.91 0.07 0.00 -0.60 0.00 0.00 56.93 57.46 1ip9 s PHE 17 Cb -0.16 -3.19 0.24 0.00 0.51 0.00 0.00 43.02 40.42 1ip9 s PHE 17 CO 0.12 -1.36 0.56 0.66 0.70 0.00 0.00 175.22 175.91 1ip9 n TYR 18 N -3.08 0.66 -2.23 0.36 4.02 0.62 -2.59 117.16 114.93 1ip9 n TYR 18 Ca 0.07 -3.71 -0.43 0.00 -0.01 0.00 0.00 57.90 53.83 1ip9 n TYR 18 Cb 0.59 -0.37 -0.02 0.00 -0.02 0.00 0.00 39.34 39.52 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 -1.42 2.33 0.00 -0.72 5.04 -0.79 -1.72 117.35 120.07 1ip9 s TYR 19 Ca 0.36 0.66 0.00 0.00 -2.44 0.00 0.00 57.07 55.65 1ip9 s TYR 19 Cb 0.15 -3.91 0.00 0.00 0.35 0.00 0.00 41.96 38.55 1ip9 s TYR 19 CO -0.09 -2.53 0.00 1.63 -1.34 0.00 0.00 175.55 173.22 1ip9 n LYS 20 N 7.43 0.00 0.00 4.97 5.02 -1.02 -0.84 118.16 133.71 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 0.45 0.00 0.46 0.00 -0.02 0.00 0.00 35.03 35.92 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 0.85 0.40 -4.94 4.39 9.92 -1.26 -4.86 116.55 121.06 1ip9 n ASP 21 Ca 0.00 -0.19 -0.25 0.00 -0.53 0.00 0.00 54.79 53.82 1ip9 n ASP 21 Cb 0.00 -0.05 0.02 0.00 -0.64 0.00 0.00 41.12 40.45 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 -2.81 5.80 0.00 -2.24 1.11 -0.02 -5.11 116.67 113.41 1ip9 s ASP 22 Ca 0.18 0.50 -0.13 0.00 0.18 0.00 0.00 52.55 53.28 1ip9 s ASP 22 Cb 0.19 -1.68 0.02 0.00 1.07 0.00 0.00 42.92 42.52 1ip9 s ASP 22 CO 0.58 -0.80 0.27 -0.63 1.18 0.00 0.00 175.17 175.77 1ip9 s ILE 23 N -2.72 0.07 0.09 0.77 1.01 -1.26 -1.89 121.20 117.27 1ip9 s ILE 23 Ca 0.50 -0.58 0.02 0.00 0.00 0.00 0.00 60.65 60.59 1ip9 s ILE 23 Cb -0.10 -0.67 -0.01 0.00 0.01 0.00 0.00 42.46 41.69 1ip9 s ILE 23 CO 0.41 -0.32 0.07 2.22 0.00 0.00 0.00 174.94 177.32 1ip9 n PHE 24 N 1.13 -0.19 -4.20 3.97 -1.74 -1.07 -4.95 117.46 110.41 1ip9 n PHE 24 Ca -0.21 -0.72 -0.12 0.00 -0.56 0.00 0.00 57.45 55.84 1ip9 n PHE 24 Cb 0.57 0.07 -0.10 0.00 1.52 0.00 0.00 39.48 41.54 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 -2.34 1.14 -0.09 1.98 0.00 -1.26 -0.51 121.76 120.68 1ip9 s ALA 25 Ca 0.10 -1.58 -0.07 0.00 0.00 0.00 0.00 51.96 50.41 1ip9 s ALA 25 Cb 0.00 0.88 0.03 0.00 0.00 0.00 0.00 23.12 24.04 1ip9 s ALA 25 CO 0.07 -0.46 0.23 -1.17 0.00 0.00 0.00 175.76 174.43 1ip9 s LEU 26 N -3.13 0.90 -0.41 0.00 2.96 0.54 -4.89 118.68 114.66 1ip9 s LEU 26 Ca 0.28 0.47 -0.09 0.00 -0.22 0.00 0.00 54.13 54.57 1ip9 s LEU 26 Cb 0.07 0.75 0.07 0.00 0.50 0.00 0.00 46.19 47.58 1ip9 s LEU 26 CO 0.05 -0.11 0.24 -0.04 -1.32 0.00 0.00 176.35 175.17 1ip9 s MET 27 N 0.50 2.61 -0.25 1.98 -1.94 -1.25 -1.61 119.30 119.34 1ip9 s MET 27 Ca -0.03 -1.40 -0.16 0.00 -1.71 0.00 0.00 55.69 52.38 1ip9 s MET 27 Cb -0.05 -3.74 -0.03 0.00 2.01 0.00 0.00 34.83 33.02 1ip9 s MET 27 CO -0.03 -0.90 0.44 -0.51 -0.01 0.00 0.00 175.02 174.02 1ip9 s LEU 28 N 1.43 4.07 0.00 -0.03 2.01 -1.01 -4.73 118.68 120.41 1ip9 s LEU 28 Ca 0.03 0.44 0.14 0.00 0.01 0.00 0.00 54.13 54.74 1ip9 s LEU 28 Cb -0.22 -2.55 0.57 0.00 0.01 0.00 0.00 46.19 44.00 1ip9 s LEU 28 CO 0.02 -0.21 1.40 1.17 1.01 0.00 0.00 176.35 179.75 1ip9 n LYS 29 N 5.26 1.44 0.00 1.70 4.81 -1.26 -1.46 118.16 128.66 1ip9 n LYS 29 Ca -0.06 -0.68 0.00 0.00 -0.87 0.00 0.00 58.31 56.70 1ip9 n LYS 29 Cb 0.50 -1.26 0.00 0.00 0.02 0.00 0.00 35.03 34.29 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 0.91 3.31 0.05 3.14 0.00 -1.26 -4.35 105.19 106.99 1ip9 n GLY 30 Ca 0.11 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.25 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 0.61 -3.38 1.61 5.68 -1.26 -4.91 116.55 114.91 1ip9 n ASP 31 Ca 0.00 0.06 -0.21 0.00 -0.50 0.00 0.00 54.79 54.13 1ip9 n ASP 31 Cb 0.00 0.13 0.21 0.00 -1.14 0.00 0.00 41.12 40.32 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 -1.93 0.00 -3.41 2.12 -1.04 -1.26 -5.05 114.28 103.71 1ip9 n THR 32 Ca 0.04 0.00 -0.04 0.00 -2.04 0.00 0.00 64.05 62.01 1ip9 n THR 32 Cb 0.41 -0.69 0.01 0.00 -1.82 0.00 0.00 70.33 68.23 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 -4.99 0.00 0.07 12.58 -2.24 -1.26 -4.95 114.28 113.49 1ip9 n THR 33 Ca 0.10 -0.46 -0.17 0.00 -2.27 0.00 0.00 64.05 61.24 1ip9 n THR 33 Cb 0.42 0.40 -0.14 0.00 -2.10 0.00 0.00 70.33 68.91 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 1.39 0.48 0.00 4.78 3.20 -1.84 -2.55 116.97 122.44 1ip9 h TYR 34 Ca -0.13 -0.35 -0.05 0.00 3.14 0.00 0.00 58.73 61.34 1ip9 h TYR 34 Cb 0.48 -0.02 -0.01 0.00 1.54 0.00 0.00 36.73 38.73 1ip9 h TYR 34 CO 0.00 1.39 -0.24 0.87 -1.64 0.00 0.00 178.16 178.53 1ip9 h LYS 35 N 0.07 0.00 0.10 1.82 1.57 -1.96 -1.50 116.57 116.67 1ip9 h LYS 35 Ca -0.23 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.54 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 0.17 0.24 -0.05 1.49 -0.57 0.00 0.00 179.45 180.74 1ip9 h GLU 36 N 0.00 -0.12 -0.63 3.15 4.57 -1.93 -2.67 114.58 116.95 1ip9 h GLU 36 Ca -0.00 0.01 0.09 0.00 -1.18 0.00 0.00 59.36 58.27 1ip9 h GLU 36 Cb 1.05 0.03 -0.04 0.00 -0.16 0.00 0.00 28.75 29.63 1ip9 h GLU 36 CO 0.03 0.31 0.42 1.25 -1.18 0.00 0.00 179.01 179.84 1ip9 h LEU 37 N -0.61 0.45 -0.72 1.64 5.85 -1.37 -1.10 115.31 119.45 1ip9 h LEU 37 Ca -0.01 0.01 0.13 0.00 0.84 0.00 0.00 57.88 58.84 1ip9 h LEU 37 Cb 0.49 -0.09 -0.09 0.00 0.37 0.00 0.00 40.66 41.35 1ip9 h LEU 37 CO 0.02 0.27 0.29 -0.09 -0.34 0.00 0.00 178.44 178.59 1ip9 h ARG 38 N 0.50 0.44 0.00 1.25 2.43 -0.92 0.27 114.38 118.34 1ip9 h ARG 38 Ca 0.29 -0.03 -0.08 0.00 -0.81 0.00 0.00 59.98 59.35 1ip9 h ARG 38 Cb 0.46 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 29.90 1ip9 h ARG 38 CO -0.09 0.29 -0.52 1.03 -1.51 0.00 0.00 179.97 179.17 1ip9 h SER 39 N 0.45 0.00 1.14 -3.80 0.87 -1.13 -1.64 113.55 109.43 1ip9 h SER 39 Ca 0.39 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.95 1ip9 h SER 39 Cb 0.55 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.51 1ip9 h SER 39 CO -0.37 0.35 -0.04 0.29 -0.53 0.00 0.00 176.83 176.53 1ip9 n LYS 40 N -3.11 0.10 -0.08 2.24 5.02 -0.08 -3.95 118.16 118.31 1ip9 n LYS 40 Ca 0.01 0.08 -0.12 0.00 -2.02 0.00 0.00 58.31 56.26 1ip9 n LYS 40 Cb 0.68 -1.61 -0.07 0.00 -0.02 0.00 0.00 35.03 34.01 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 -1.79 0.88 -0.32 -0.18 5.41 0.74 -4.40 119.36 119.70 1ip9 n ILE 41 Ca 0.06 -0.31 0.03 0.00 1.00 0.00 0.00 62.75 63.53 1ip9 n ILE 41 Cb 0.37 -1.17 0.10 0.00 -0.71 0.00 0.00 39.64 38.24 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 -0.11 0.50 0.00 -1.39 0.00 -1.42 0.48 119.26 117.32 1ip9 h ALA 42 Ca -0.35 0.33 -0.11 0.00 0.00 0.00 0.00 54.91 54.78 1ip9 h ALA 42 Cb 1.50 0.72 -0.02 0.00 0.00 0.00 0.00 17.79 19.99 1ip9 h ALA 42 CO -0.09 -0.44 -0.51 -1.00 0.00 0.00 0.00 179.25 177.21 1ip9 h PRO 43 N -0.01 0.00 -0.01 0.00 0.13 -1.76 -1.56 132.00 128.80 1ip9 h PRO 43 Ca 0.41 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.54 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 -0.91 0.51 -0.03 0.54 -0.23 0.00 0.00 178.00 177.88 1ip9 n ARG 44 N -3.86 1.20 -0.08 0.86 5.12 0.13 -3.71 116.66 116.33 1ip9 n ARG 44 Ca -0.01 -0.45 -0.09 0.00 -1.93 0.00 0.00 57.85 55.37 1ip9 n ARG 44 Cb 0.53 -1.49 -0.11 0.00 -1.16 0.00 0.00 32.46 30.24 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 -0.51 1.03 -0.30 0.55 5.41 0.75 -4.99 119.36 121.30 1ip9 n ILE 45 Ca 0.20 -0.56 0.00 0.00 1.00 0.00 0.00 62.75 63.39 1ip9 n ILE 45 Cb 0.25 -0.78 0.00 0.00 -0.71 0.00 0.00 39.64 38.39 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 -2.70 -0.52 -3.49 4.38 8.00 -0.65 -5.04 116.55 116.53 1ip9 n ASP 46 Ca -0.27 0.00 -0.20 0.00 0.71 0.00 0.00 54.79 55.03 1ip9 n ASP 46 Cb 0.94 -0.09 -0.08 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 -2.26 0.07 -0.67 -3.53 -1.32 -1.13 -5.05 115.64 101.74 1ip9 s THR 47 Ca 0.00 -2.00 0.09 0.00 -1.21 0.00 0.00 61.69 58.57 1ip9 s THR 47 Cb 0.00 -2.48 -0.03 0.00 -1.51 0.00 0.00 72.50 68.48 1ip9 s THR 47 CO 0.00 0.00 0.51 -0.90 -2.21 0.00 0.00 174.62 172.02 1ip9 n ASP 48 N -1.46 0.88 -3.93 8.08 5.75 -1.26 -4.34 116.55 120.28 1ip9 n ASP 48 Ca 0.06 -0.94 -0.25 0.00 -0.01 0.00 0.00 54.79 53.64 1ip9 n ASP 48 Cb 0.63 0.65 -0.17 0.00 -1.03 0.00 0.00 41.12 41.20 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 -1.45 1.91 0.27 -1.12 0.02 -1.26 -4.93 114.94 108.38 1ip9 s ASN 49 Ca 0.06 -0.27 -0.12 0.00 -1.02 0.00 0.00 52.86 51.51 1ip9 s ASN 49 Cb 0.07 -0.77 -0.00 0.00 0.02 0.00 0.00 41.25 40.57 1ip9 s ASN 49 CO 0.27 -0.08 0.50 0.72 0.02 0.00 0.00 177.10 178.52 1ip9 s PHE 50 N 1.38 0.43 -0.18 2.20 -0.71 -1.26 -1.70 117.98 118.14 1ip9 s PHE 50 Ca -0.02 -0.79 0.01 0.00 -1.04 0.00 0.00 56.93 55.09 1ip9 s PHE 50 Cb -0.14 0.20 0.03 0.00 -1.21 0.00 0.00 43.02 41.90 1ip9 s PHE 50 CO -0.04 -1.04 -0.15 0.15 -1.34 0.00 0.00 175.22 172.79 1ip9 s LYS 51 N -3.82 2.50 0.03 1.99 1.02 -0.54 -4.82 119.74 116.11 1ip9 s LYS 51 Ca 0.23 -0.75 -0.13 0.00 0.02 0.00 0.00 55.97 55.34 1ip9 s LYS 51 Cb -0.01 -2.37 -0.06 0.00 -0.52 0.00 0.00 37.83 34.87 1ip9 s LYS 51 CO 0.10 -0.28 0.40 -0.51 -0.92 0.00 0.00 175.35 174.14 1ip9 s LEU 52 N 1.38 4.42 0.25 3.17 2.01 -1.25 -1.56 118.68 127.09 1ip9 s LEU 52 Ca 0.03 0.89 0.02 0.00 0.01 0.00 0.00 54.13 55.07 1ip9 s LEU 52 Cb -0.14 -2.75 -0.04 0.00 0.01 0.00 0.00 46.19 43.28 1ip9 s LEU 52 CO -0.11 0.26 0.19 -1.10 1.01 0.00 0.00 176.35 176.61 1ip9 s GLN 53 N -1.43 1.42 -1.17 1.70 1.11 -0.40 -0.41 119.66 120.47 1ip9 s GLN 53 Ca 0.28 -1.76 -0.17 0.00 0.01 0.00 0.00 55.36 53.71 1ip9 s GLN 53 Cb -0.15 0.30 0.12 0.00 -1.01 0.00 0.00 33.01 32.26 1ip9 s GLN 53 CO 0.15 -0.49 1.49 0.95 0.01 0.00 0.00 175.29 177.39 1ip9 s THR 54 N -3.88 4.57 -0.44 -0.19 -4.23 -1.17 -0.99 115.64 109.30 1ip9 s THR 54 Ca 0.39 -2.03 -0.15 0.00 -1.18 0.00 0.00 61.69 58.73 1ip9 s THR 54 Cb 0.05 -5.00 -0.10 0.00 1.34 0.00 0.00 72.50 68.79 1ip9 s THR 54 CO 0.18 -1.77 1.22 1.17 -0.54 0.00 0.00 174.62 174.88 1ip9 n LYS 55 N 7.03 0.00 -0.08 3.99 0.00 0.93 -2.25 118.16 127.78 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 0.46 -0.69 0.00 0.00 0.00 0.00 0.00 35.03 34.80 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 4.72 0.00 0.02 3.14 4.77 -1.26 -4.48 117.00 123.92 1ip9 n LEU 56 Ca 0.30 0.00 -0.07 0.00 -0.03 0.00 0.00 56.01 56.21 1ip9 n LEU 56 Cb 0.01 0.00 -0.12 0.00 -2.33 0.00 0.00 43.42 40.98 1ip9 n LEU 56 CO 0.43 -0.05 -0.21 2.19 -1.33 0.00 0.00 177.39 178.42 1ip9 h PHE 57 N -0.02 0.00 -0.10 -1.77 -5.15 -1.92 -3.32 116.94 104.66 1ip9 h PHE 57 Ca 0.00 0.00 -0.19 0.00 -0.20 0.00 0.00 57.97 57.58 1ip9 h PHE 57 Cb 0.00 0.00 -0.00 0.00 0.22 0.00 0.00 35.95 36.17 1ip9 h PHE 57 CO 0.00 0.96 -0.71 0.38 -2.00 0.00 0.00 178.31 176.94 1ip9 h ASP 58 N 0.00 0.55 0.00 -0.68 2.03 -1.98 -3.47 116.42 112.87 1ip9 h ASP 58 Ca -0.16 -0.35 0.00 0.00 -0.73 0.00 0.00 57.03 55.79 1ip9 h ASP 58 Cb 1.87 -0.16 0.00 0.00 -0.83 0.00 0.00 39.33 40.21 1ip9 h ASP 58 CO 0.10 1.09 0.00 0.61 -1.03 0.00 0.00 179.24 180.01 1ip9 n GLY 59 N 0.54 1.55 3.44 7.15 0.00 -1.25 -5.13 105.19 111.49 1ip9 n GLY 59 Ca -0.05 -0.07 -0.15 0.00 0.00 0.00 0.00 46.02 45.76 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 0.00 -0.54 0.00 1.61 1.04 -1.26 -3.99 113.70 110.56 1ip9 s SER 60 Ca 0.00 0.29 0.00 0.00 0.48 0.00 0.00 55.95 56.72 1ip9 s SER 60 Cb 0.00 0.54 0.00 0.00 0.10 0.00 0.00 66.02 66.66 1ip9 s SER 60 CO 0.00 -0.75 0.00 0.61 0.98 0.00 0.00 173.24 174.08 1ip9 n GLY 61 N 0.34 1.64 3.60 7.32 0.00 -0.95 -4.51 105.19 112.63 1ip9 n GLY 61 Ca -0.18 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.41 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 3.76 3.38 -0.69 1.61 0.41 -1.26 -4.47 118.70 121.43 1ip9 s GLU 62 Ca 0.00 1.25 -0.25 0.00 -0.41 0.00 0.00 54.97 55.56 1ip9 s GLU 62 Cb 0.00 -4.15 -0.14 0.00 -1.78 0.00 0.00 34.13 28.06 1ip9 s GLU 62 CO 0.00 -1.80 2.45 -1.91 -0.49 0.00 0.00 175.26 173.51 1ip9 n GLU 63 N 8.36 0.65 -1.66 1.61 2.13 -1.26 -3.03 120.64 127.45 1ip9 n GLU 63 Ca 0.21 -0.20 -0.60 0.00 0.66 0.00 0.00 57.16 57.22 1ip9 n GLU 63 Cb 0.47 -2.96 -0.08 0.00 0.27 0.00 0.00 31.44 29.15 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 7.90 0.09 -1.80 6.31 -0.00 0.46 -4.78 119.36 127.54 1ip9 n ILE 64 Ca 0.47 -0.02 0.00 0.00 -0.00 0.00 0.00 62.75 63.21 1ip9 n ILE 64 Cb 0.39 -0.66 0.00 0.00 -0.00 0.00 0.00 39.64 39.37 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 3.61 0.00 -3.71 0.38 4.76 -1.26 -4.46 118.16 117.48 1ip9 n LYS 65 Ca 0.25 -0.53 -0.14 0.00 -2.87 0.00 0.00 58.31 55.02 1ip9 n LYS 65 Cb 0.07 -0.32 -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 0.03 0.63 -0.18 -4.23 -1.26 -5.00 115.64 105.63 1ip9 s THR 66 Ca 0.00 -0.23 0.23 0.00 -1.18 0.00 0.00 61.69 60.51 1ip9 s THR 66 Cb 0.00 -0.68 0.28 0.00 1.34 0.00 0.00 72.50 73.45 1ip9 s THR 66 CO 0.00 -0.13 1.57 0.44 -0.54 0.00 0.00 174.62 175.97 1ip9 h ASP 67 N 4.29 0.00 0.14 3.99 3.32 -1.95 0.40 116.42 126.61 1ip9 h ASP 67 Ca -0.28 0.00 -0.19 0.00 0.02 0.00 0.00 57.03 56.58 1ip9 h ASP 67 Cb 1.17 0.00 0.02 0.00 0.22 0.00 0.00 39.33 40.74 1ip9 h ASP 67 CO 0.34 0.00 -0.83 0.77 -1.72 0.00 0.00 179.24 177.79 1ip9 h SER 68 N 0.00 0.49 -0.51 6.45 4.64 -1.97 -1.58 113.55 121.07 1ip9 h SER 68 Ca 0.18 -0.94 0.00 0.00 -0.47 0.00 0.00 61.79 60.57 1ip9 h SER 68 Cb 1.65 -0.16 -0.03 0.00 -0.31 0.00 0.00 62.40 63.55 1ip9 h SER 68 CO -0.00 1.40 0.34 1.56 -0.87 0.00 0.00 176.83 179.25 1ip9 h GLN 69 N -0.33 0.68 -0.02 4.77 1.08 -0.61 0.27 115.11 120.94 1ip9 h GLN 69 Ca -0.14 -0.04 -0.03 0.00 -1.45 0.00 0.00 58.65 56.98 1ip9 h GLN 69 Cb 1.65 -0.15 0.00 0.00 -0.05 0.00 0.00 27.48 28.93 1ip9 h GLN 69 CO 0.16 0.45 -0.12 0.28 -0.95 0.00 0.00 178.83 178.65 1ip9 h VAL 70 N 0.70 1.51 0.00 -0.54 2.07 -1.44 -0.72 116.25 117.82 1ip9 h VAL 70 Ca 0.19 -1.66 0.00 0.00 0.82 0.00 0.00 66.70 66.05 1ip9 h VAL 70 Cb -0.07 2.55 0.00 0.00 -1.52 0.00 0.00 31.29 32.24 1ip9 h VAL 70 CO -0.04 0.45 0.00 -1.20 0.02 0.00 0.00 177.57 176.80 1ip9 n SER 71 N -4.64 0.46 -0.04 0.57 7.64 -0.60 -0.07 113.62 116.94 1ip9 n SER 71 Ca -0.09 0.66 -0.20 0.00 1.01 0.00 0.00 58.87 60.26 1ip9 n SER 71 Cb 0.40 -0.74 -0.13 0.00 -1.01 0.00 0.00 64.21 62.73 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 0.18 0.40 6.43 -1.24 -0.20 -1.27 115.58 119.89 1ip9 h ASN 72 Ca 0.00 -0.79 0.00 0.00 0.71 0.00 0.00 56.30 56.22 1ip9 h ASN 72 Cb 0.15 -0.06 0.00 0.00 0.73 0.00 0.00 38.32 39.14 1ip9 h ASN 72 CO 0.00 1.43 0.00 0.40 -1.29 0.00 0.00 177.43 177.97 1ip9 h ILE 73 N -0.68 0.00 0.09 2.57 5.03 -0.20 0.54 117.51 124.87 1ip9 h ILE 73 Ca -0.24 -0.17 -0.15 0.00 -0.12 0.00 0.00 64.86 64.18 1ip9 h ILE 73 Cb 1.44 0.95 0.01 0.00 -3.03 0.00 0.00 36.82 36.19 1ip9 h ILE 73 CO -0.03 0.00 -0.73 0.40 -0.68 0.00 0.00 178.15 177.11 1ip9 h ILE 74 N 0.00 1.46 0.00 -0.67 2.04 -0.44 0.33 117.51 120.24 1ip9 h ILE 74 Ca 0.00 -2.44 0.00 0.00 1.00 0.00 0.00 64.86 63.42 1ip9 h ILE 74 Cb 0.20 3.10 0.00 0.00 -0.74 0.00 0.00 36.82 39.38 1ip9 h ILE 74 CO 0.00 0.66 0.00 1.56 0.00 0.00 0.00 178.15 180.37 1ip9 h GLN 75 N -0.58 0.00 -0.02 2.37 4.20 -0.56 -3.16 115.11 117.36 1ip9 h GLN 75 Ca -0.15 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.56 1ip9 h GLN 75 Cb 1.46 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.24 1ip9 h GLN 75 CO 0.07 0.00 0.00 0.00 -0.67 0.00 0.00 178.83 178.23 1ip9 n ALA 76 N -1.96 2.47 -3.41 3.87 0.00 0.12 -5.04 120.51 116.57 1ip9 n ALA 76 Ca 0.04 -0.57 -0.31 0.00 0.00 0.00 0.00 53.44 52.59 1ip9 n ALA 76 Cb 0.43 -0.18 0.03 0.00 0.00 0.00 0.00 19.45 19.72 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 0.28 -1.96 -4.13 0.00 4.81 0.10 -4.93 118.16 112.34 1ip9 n LYS 77 Ca 0.03 1.49 -0.35 0.00 -0.87 0.00 0.00 58.31 58.61 1ip9 n LYS 77 Cb 0.15 -2.82 -0.09 0.00 0.02 0.00 0.00 35.03 32.29 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 -2.77 3.87 0.05 3.14 2.01 -0.40 -5.01 118.68 119.57 1ip9 s LEU 78 Ca 0.31 0.21 -0.31 0.00 0.01 0.00 0.00 54.13 54.36 1ip9 s LEU 78 Cb -0.04 -1.93 -0.07 0.00 0.01 0.00 0.00 46.19 44.16 1ip9 s LEU 78 CO 0.86 0.32 1.48 -0.54 1.01 0.00 0.00 176.35 179.48 1ip9 s LYS 79 N -0.53 4.26 0.21 1.70 1.02 -1.26 -4.46 119.74 120.67 1ip9 s LYS 79 Ca 0.10 2.11 -0.01 0.00 0.02 0.00 0.00 55.97 58.19 1ip9 s LYS 79 Cb -0.12 -3.50 -0.04 0.00 -0.52 0.00 0.00 37.83 33.64 1ip9 s LYS 79 CO 0.02 -0.60 0.40 0.42 -0.92 0.00 0.00 175.35 174.67 1ip9 s ILE 80 N 2.19 5.19 0.03 2.17 -1.09 0.16 0.31 121.20 130.17 1ip9 s ILE 80 Ca 0.67 -0.30 0.08 0.00 -2.23 0.00 0.00 60.65 58.87 1ip9 s ILE 80 Cb -0.35 -3.73 -0.03 0.00 -1.58 0.00 0.00 42.46 36.77 1ip9 s ILE 80 CO 0.29 -0.17 -0.23 -0.55 -1.23 0.00 0.00 174.94 173.05 1ip9 s SER 81 N -3.12 3.44 -0.08 3.58 0.15 -0.16 0.23 113.70 117.73 1ip9 s SER 81 Ca 0.39 -0.50 0.03 0.00 0.70 0.00 0.00 55.95 56.57 1ip9 s SER 81 Cb -0.11 -0.44 0.01 0.00 -1.71 0.00 0.00 66.02 63.77 1ip9 s SER 81 CO 0.29 0.27 -0.18 -0.69 1.20 0.00 0.00 173.24 174.13 1ip9 s VAL 82 N -0.83 1.56 0.35 4.45 1.01 -0.70 -1.28 120.40 124.96 1ip9 s VAL 82 Ca 0.13 -0.74 0.09 0.00 0.00 0.00 0.00 61.98 61.46 1ip9 s VAL 82 Cb -0.10 -1.38 -0.06 0.00 0.00 0.00 0.00 36.38 34.84 1ip9 s VAL 82 CO 0.03 0.45 0.02 -1.00 0.00 0.00 0.00 175.10 174.60 1ip9 s HIS 83 N 0.47 2.54 -0.15 5.22 3.76 -0.60 -2.43 115.29 124.10 1ip9 s HIS 83 Ca -0.16 -0.46 -0.11 0.00 -0.15 0.00 0.00 55.06 54.18 1ip9 s HIS 83 Cb -0.16 -1.53 -0.05 0.00 1.11 0.00 0.00 32.58 31.95 1ip9 s HIS 83 CO 0.06 0.46 0.23 -0.51 -0.85 0.00 0.00 174.74 174.13 1ip9 s ASP 84 N -3.72 6.40 0.00 1.40 1.01 -1.26 -1.46 116.67 119.03 1ip9 s ASP 84 Ca 0.35 0.47 0.00 0.00 0.71 0.00 0.00 52.55 54.08 1ip9 s ASP 84 Cb 0.01 -2.14 0.00 0.00 1.01 0.00 0.00 42.92 41.80 1ip9 s ASP 84 CO 0.19 0.21 0.00 2.30 0.21 0.00 0.00 175.17 178.08