#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 3.52 -0.15 4.61 0.00 -1.26 -4.88 121.76 123.61 1ip9 s ALA 2 Ca 0.00 -0.30 0.17 0.00 0.00 0.00 0.00 51.96 51.83 1ip9 s ALA 2 Cb 0.00 -3.43 -0.24 0.00 0.00 0.00 0.00 23.12 19.45 1ip9 s ALA 2 CO 0.00 -1.29 0.14 -0.12 0.00 0.00 0.00 175.76 174.49 1ip9 n MET 3 N 6.41 0.94 -0.06 0.00 0.00 -1.26 -5.10 117.12 118.05 1ip9 n MET 3 Ca 0.06 -0.04 0.00 0.00 -0.00 0.00 0.00 57.70 57.72 1ip9 n MET 3 Cb 0.48 -1.47 0.00 0.00 0.00 0.00 0.00 33.22 32.23 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 1.78 0.01 0.93 -5.12 0.00 -1.26 -4.95 105.19 96.58 1ip9 n GLY 4 Ca -0.24 -1.18 0.00 0.00 0.00 0.00 0.00 46.02 44.60 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 -0.09 2.38 -4.39 1.61 7.64 -1.26 -4.95 113.62 114.57 1ip9 n SER 5 Ca 0.00 -3.71 -0.42 0.00 1.01 0.00 0.00 58.87 55.75 1ip9 n SER 5 Cb 0.00 -0.59 -0.10 0.00 -1.01 0.00 0.00 64.21 62.51 1ip9 n SER 5 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1ip9 s SER 6 N -2.69 5.88 -0.41 6.43 1.04 -1.26 -4.98 113.70 117.71 1ip9 s SER 6 Ca 0.42 -1.08 0.08 0.00 0.48 0.00 0.00 55.95 55.85 1ip9 s SER 6 Cb 0.38 -2.08 0.18 0.00 0.10 0.00 0.00 66.02 64.61 1ip9 s SER 6 CO -0.01 -0.46 0.62 0.28 0.98 0.00 0.00 173.24 174.66 1ip9 s THR 7 N 1.58 -0.98 -0.33 2.02 -1.32 -1.26 -5.10 115.64 110.25 1ip9 s THR 7 Ca 0.03 -0.06 0.02 0.00 -1.21 0.00 0.00 61.69 60.47 1ip9 s THR 7 Cb -0.20 -0.02 0.15 0.00 -1.51 0.00 0.00 72.50 70.92 1ip9 s THR 7 CO 0.07 -0.02 0.38 -0.55 -2.21 0.00 0.00 174.62 172.29 1ip9 s SER 8 N 1.80 0.96 -0.01 8.08 0.15 -1.26 -5.13 113.70 118.29 1ip9 s SER 8 Ca 0.16 -1.04 -0.20 0.00 0.70 0.00 0.00 55.95 55.57 1ip9 s SER 8 Cb -0.04 0.75 0.04 0.00 -1.71 0.00 0.00 66.02 65.06 1ip9 s SER 8 CO -0.07 -0.31 0.43 -0.83 1.20 0.00 0.00 173.24 173.67 1ip9 s GLY 9 N 1.96 -0.30 0.00 9.45 0.00 -1.26 -5.17 107.32 112.00 1ip9 s GLY 9 Ca 0.13 0.61 0.00 0.00 0.00 0.00 0.00 44.72 45.46 1ip9 s GLY 9 CO -0.18 0.35 0.00 -0.10 0.00 0.00 0.00 173.10 173.17 1ip9 n LEU 10 N 1.04 0.00 0.00 0.66 7.94 -1.26 -5.15 117.00 120.24 1ip9 n LEU 10 Ca -0.20 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.70 1ip9 n LEU 10 Cb 0.57 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.52 1ip9 n LEU 10 CO 0.22 0.00 0.00 1.17 -1.11 0.00 0.00 177.39 177.67 1ip9 n LYS 11 N 0.00 0.00 -1.31 1.96 4.81 -1.26 -5.13 118.16 117.23 1ip9 n LYS 11 Ca 0.00 0.00 -0.43 0.00 -0.87 0.00 0.00 58.31 57.01 1ip9 n LYS 11 Cb 0.00 0.00 -0.01 0.00 0.02 0.00 0.00 35.03 35.04 1ip9 n LYS 11 CO 0.00 0.00 0.00 0.25 1.17 0.00 0.00 177.40 178.82 1ip9 n THR 12 N 0.00 0.87 -3.58 3.15 -2.24 -1.26 -4.89 114.28 106.33 1ip9 n THR 12 Ca 0.00 -0.50 -0.37 0.00 -2.27 0.00 0.00 64.05 60.91 1ip9 n THR 12 Cb 0.00 0.00 -0.08 0.00 -2.10 0.00 0.00 70.33 68.15 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 -1.56 5.32 -0.47 4.28 2.01 -0.48 -4.78 115.64 119.95 1ip9 s THR 13 Ca 0.60 0.38 -0.29 0.00 0.31 0.00 0.00 61.69 62.69 1ip9 s THR 13 Cb -0.69 -3.58 0.03 0.00 0.01 0.00 0.00 72.50 68.28 1ip9 s THR 13 CO 0.61 0.34 1.14 -0.75 -0.69 0.00 0.00 174.62 175.28 1ip9 s LYS 14 N 0.93 3.73 -0.24 4.92 2.20 -1.26 -2.38 119.74 127.64 1ip9 s LYS 14 Ca 0.12 0.58 0.02 0.00 -0.36 0.00 0.00 55.97 56.34 1ip9 s LYS 14 Cb -0.13 -3.90 0.05 0.00 -1.51 0.00 0.00 37.83 32.33 1ip9 s LYS 14 CO 0.04 -1.37 -0.13 0.42 -0.36 0.00 0.00 175.35 173.96 1ip9 s ILE 15 N 4.44 2.10 -0.33 5.43 1.01 -0.84 -4.73 121.20 128.29 1ip9 s ILE 15 Ca 0.48 -1.45 -0.23 0.00 0.00 0.00 0.00 60.65 59.45 1ip9 s ILE 15 Cb -0.07 -2.15 0.00 0.00 0.01 0.00 0.00 42.46 40.25 1ip9 s ILE 15 CO 0.31 0.10 0.75 -0.54 0.00 0.00 0.00 174.94 175.56 1ip9 s LYS 16 N 1.16 3.84 0.66 2.79 -0.14 -1.26 -1.19 119.74 125.60 1ip9 s LYS 16 Ca -0.06 0.38 -0.10 0.00 -1.36 0.00 0.00 55.97 54.83 1ip9 s LYS 16 Cb -0.18 -3.77 0.01 0.00 -1.68 0.00 0.00 37.83 32.21 1ip9 s LYS 16 CO -0.07 -0.74 1.03 -0.06 -0.76 0.00 0.00 175.35 174.75 1ip9 s PHE 17 N 2.94 3.31 -0.49 3.18 0.40 0.04 -0.62 117.98 126.72 1ip9 s PHE 17 Ca 0.30 0.92 0.07 0.00 -0.60 0.00 0.00 56.93 57.62 1ip9 s PHE 17 Cb -0.14 -2.95 0.25 0.00 0.51 0.00 0.00 43.02 40.69 1ip9 s PHE 17 CO 0.14 -1.05 0.61 0.66 0.70 0.00 0.00 175.22 176.28 1ip9 n TYR 18 N -2.86 1.27 -2.50 0.36 4.02 0.47 -2.89 117.16 115.02 1ip9 n TYR 18 Ca 0.06 -3.80 -0.43 0.00 -0.01 0.00 0.00 57.90 53.72 1ip9 n TYR 18 Cb 0.57 -0.42 -0.02 0.00 -0.02 0.00 0.00 39.34 39.45 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 -1.67 3.00 0.00 -0.72 5.04 -0.90 -1.68 117.35 120.41 1ip9 s TYR 19 Ca 0.37 1.15 0.00 0.00 -2.44 0.00 0.00 57.07 56.14 1ip9 s TYR 19 Cb 0.16 -3.45 0.00 0.00 0.35 0.00 0.00 41.96 39.02 1ip9 s TYR 19 CO -0.07 -1.31 0.00 1.63 -1.34 0.00 0.00 175.55 174.45 1ip9 n LYS 20 N 6.55 0.00 -0.06 4.97 5.02 -1.03 -1.24 118.16 132.38 1ip9 n LYS 20 Ca 0.13 0.00 0.12 0.00 -2.02 0.00 0.00 58.31 56.54 1ip9 n LYS 20 Cb 0.45 0.00 0.40 0.00 -0.02 0.00 0.00 35.03 35.86 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 1.21 1.84 -4.85 4.39 8.00 -1.26 -4.89 116.55 120.99 1ip9 n ASP 21 Ca 0.00 -1.68 -0.21 0.00 0.71 0.00 0.00 54.79 53.61 1ip9 n ASP 21 Cb 0.00 -0.07 -0.04 0.00 -0.02 0.00 0.00 41.12 40.99 1ip9 n ASP 21 CO 0.00 0.00 0.00 1.51 -0.39 0.00 0.00 177.20 178.32 1ip9 s ASP 22 N -1.74 5.33 -0.03 -2.24 1.47 -0.37 -5.13 116.67 113.95 1ip9 s ASP 22 Ca 0.35 -0.45 -0.07 0.00 1.18 0.00 0.00 52.55 53.56 1ip9 s ASP 22 Cb 0.19 -1.05 0.01 0.00 -0.34 0.00 0.00 42.92 41.73 1ip9 s ASP 22 CO 0.29 -0.30 0.16 -0.63 0.68 0.00 0.00 175.17 175.37 1ip9 s ILE 23 N -2.28 0.04 0.01 2.11 1.01 -1.26 -2.13 121.20 118.70 1ip9 s ILE 23 Ca 0.39 -0.34 0.00 0.00 0.00 0.00 0.00 60.65 60.71 1ip9 s ILE 23 Cb -0.06 -0.34 -0.00 0.00 0.01 0.00 0.00 42.46 42.07 1ip9 s ILE 23 CO 0.26 -0.19 0.00 2.22 0.00 0.00 0.00 174.94 177.24 1ip9 n PHE 24 N 2.23 0.00 -3.87 3.97 -1.74 -1.14 -4.95 117.46 111.96 1ip9 n PHE 24 Ca -0.18 -0.05 -0.10 0.00 -0.56 0.00 0.00 57.45 56.56 1ip9 n PHE 24 Cb 0.57 0.00 -0.09 0.00 1.52 0.00 0.00 39.48 41.48 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 -2.02 -0.30 -0.03 1.98 0.00 -1.26 -0.78 121.76 119.36 1ip9 s ALA 25 Ca 0.00 -0.31 0.02 0.00 0.00 0.00 0.00 51.96 51.67 1ip9 s ALA 25 Cb 0.00 0.24 0.01 0.00 0.00 0.00 0.00 23.12 23.37 1ip9 s ALA 25 CO 0.00 -0.32 -0.05 -1.17 0.00 0.00 0.00 175.76 174.22 1ip9 s LEU 26 N -1.97 1.63 -0.43 0.00 2.96 -0.34 -4.94 118.68 115.59 1ip9 s LEU 26 Ca -0.07 -0.12 -0.15 0.00 -0.22 0.00 0.00 54.13 53.57 1ip9 s LEU 26 Cb -0.02 -0.39 0.04 0.00 0.50 0.00 0.00 46.19 46.31 1ip9 s LEU 26 CO -0.03 0.01 0.34 -0.04 -1.32 0.00 0.00 176.35 175.31 1ip9 s MET 27 N 0.43 2.98 -0.12 1.98 -1.94 -1.26 -1.98 119.30 119.39 1ip9 s MET 27 Ca -0.05 -1.13 -0.20 0.00 -1.71 0.00 0.00 55.69 52.60 1ip9 s MET 27 Cb -0.09 -4.03 -0.04 0.00 2.01 0.00 0.00 34.83 32.68 1ip9 s MET 27 CO -0.00 -0.85 0.57 -0.51 -0.01 0.00 0.00 175.02 174.21 1ip9 s LEU 28 N 1.69 4.26 -0.01 -0.03 1.02 -1.00 -4.73 118.68 119.87 1ip9 s LEU 28 Ca 0.05 0.91 0.05 0.00 0.02 0.00 0.00 54.13 55.16 1ip9 s LEU 28 Cb -0.21 -2.84 0.15 0.00 0.02 0.00 0.00 46.19 43.31 1ip9 s LEU 28 CO 0.09 -0.09 1.06 1.17 0.02 0.00 0.00 176.35 178.60 1ip9 n LYS 29 N 4.01 1.46 0.00 1.70 4.81 -1.26 -1.38 118.16 127.51 1ip9 n LYS 29 Ca -0.04 -0.60 0.00 0.00 -0.87 0.00 0.00 58.31 56.80 1ip9 n LYS 29 Cb 0.51 -1.22 0.00 0.00 0.02 0.00 0.00 35.03 34.34 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 0.65 2.76 0.12 3.14 0.00 -1.26 -4.76 105.19 105.84 1ip9 n GLY 30 Ca 0.06 -0.36 0.13 0.00 0.00 0.00 0.00 46.02 45.84 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 0.00 0.00 -2.08 1.61 2.03 -2.00 -3.47 116.42 112.51 1ip9 h ASP 31 Ca 0.00 -0.03 -0.62 0.00 -0.73 0.00 0.00 57.03 55.66 1ip9 h ASP 31 Cb 0.00 0.00 0.13 0.00 -0.83 0.00 0.00 39.33 38.63 1ip9 h ASP 31 CO 0.00 0.01 -0.35 0.41 -1.03 0.00 0.00 179.24 178.28 1ip9 n THR 32 N -2.41 1.78 -4.45 1.15 -1.04 -1.26 -4.97 114.28 103.08 1ip9 n THR 32 Ca 0.05 -0.50 -0.22 0.00 -2.04 0.00 0.00 64.05 61.34 1ip9 n THR 32 Cb 0.45 -0.50 -0.04 0.00 -1.82 0.00 0.00 70.33 68.42 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 -0.49 0.00 0.10 12.58 -2.24 -1.26 -4.60 114.28 118.36 1ip9 n THR 33 Ca 0.12 -1.62 -0.19 0.00 -2.27 0.00 0.00 64.05 60.09 1ip9 n THR 33 Cb 0.35 0.28 -0.15 0.00 -2.10 0.00 0.00 70.33 68.72 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 1.13 0.63 0.00 4.78 3.20 -1.85 -2.11 116.97 122.75 1ip9 h TYR 34 Ca -0.28 -0.46 0.00 0.00 3.14 0.00 0.00 58.73 61.13 1ip9 h TYR 34 Cb 0.87 -0.03 0.00 0.00 1.54 0.00 0.00 36.73 39.11 1ip9 h TYR 34 CO 0.00 1.45 0.00 0.87 -1.64 0.00 0.00 178.16 178.84 1ip9 h LYS 35 N 0.09 0.00 0.07 1.82 1.57 -1.96 -1.68 116.57 116.49 1ip9 h LYS 35 Ca -0.24 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.54 1ip9 h LYS 35 Cb 2.06 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.37 1ip9 h LYS 35 CO 0.20 0.00 -0.04 1.49 -0.57 0.00 0.00 179.45 180.54 1ip9 h GLU 36 N 0.00 -0.10 -0.79 3.15 4.57 -1.94 -3.08 114.58 116.40 1ip9 h GLU 36 Ca 0.00 0.01 0.12 0.00 -1.18 0.00 0.00 59.36 58.30 1ip9 h GLU 36 Cb 0.87 0.02 -0.06 0.00 -0.16 0.00 0.00 28.75 29.43 1ip9 h GLU 36 CO 0.00 0.47 0.52 1.25 -1.18 0.00 0.00 179.01 180.07 1ip9 h LEU 37 N -0.81 0.57 -1.02 1.64 5.85 -1.34 0.44 115.31 120.65 1ip9 h LEU 37 Ca -0.01 0.02 0.15 0.00 0.84 0.00 0.00 57.88 58.88 1ip9 h LEU 37 Cb 0.61 -0.10 -0.09 0.00 0.37 0.00 0.00 40.66 41.45 1ip9 h LEU 37 CO 0.02 0.32 0.62 -0.09 -0.34 0.00 0.00 178.44 178.98 1ip9 h ARG 38 N 0.63 0.87 0.00 1.25 2.43 -1.22 0.37 114.38 118.71 1ip9 h ARG 38 Ca 0.37 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.49 1ip9 h ARG 38 Cb 0.59 -0.20 0.00 0.00 -0.42 0.00 0.00 29.97 29.95 1ip9 h ARG 38 CO -0.14 0.58 -0.36 1.03 -1.51 0.00 0.00 179.97 179.56 1ip9 h SER 39 N 0.90 0.00 0.63 -3.80 0.87 -0.90 -1.34 113.55 109.91 1ip9 h SER 39 Ca 0.53 -0.05 0.00 0.00 -1.23 0.00 0.00 61.79 61.04 1ip9 h SER 39 Cb 0.66 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.62 1ip9 h SER 39 CO -0.31 0.02 -0.41 0.29 -0.53 0.00 0.00 176.83 175.89 1ip9 n LYS 40 N -2.59 0.02 -0.04 2.24 5.02 0.90 -4.19 118.16 119.52 1ip9 n LYS 40 Ca 0.03 0.01 -0.05 0.00 -2.02 0.00 0.00 58.31 56.28 1ip9 n LYS 40 Cb 0.49 -1.52 -0.04 0.00 -0.02 0.00 0.00 35.03 33.94 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 -1.55 0.50 -0.36 -0.18 5.41 0.92 -4.38 119.36 119.71 1ip9 n ILE 41 Ca 0.06 -0.21 0.02 0.00 1.00 0.00 0.00 62.75 63.61 1ip9 n ILE 41 Cb 0.34 -0.81 0.08 0.00 -0.71 0.00 0.00 39.64 38.54 1ip9 n ILE 41 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1ip9 n ALA 42 N -2.65 0.01 0.07 -1.39 0.00 -0.51 0.11 120.51 116.17 1ip9 n ALA 42 Ca -0.15 1.00 -0.05 0.00 0.00 0.00 0.00 53.44 54.24 1ip9 n ALA 42 Cb 0.68 -0.51 0.13 0.00 0.00 0.00 0.00 19.45 19.75 1ip9 n ALA 42 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1ip9 h PRO 43 N 0.00 0.28 0.00 0.00 0.13 -1.76 -0.75 132.00 129.90 1ip9 h PRO 43 Ca 0.38 -0.18 0.00 0.00 -0.87 0.00 0.00 66.00 65.33 1ip9 h PRO 43 Cb 0.63 0.02 0.00 0.00 0.13 0.00 0.00 31.00 31.78 1ip9 h PRO 43 CO -0.97 0.77 0.00 0.54 -0.23 0.00 0.00 178.00 178.11 1ip9 n ARG 44 N -3.91 0.80 -0.06 0.86 5.12 0.31 -3.18 116.66 116.61 1ip9 n ARG 44 Ca -0.02 0.00 -0.06 0.00 -1.93 0.00 0.00 57.85 55.84 1ip9 n ARG 44 Cb 0.60 -1.50 -0.08 0.00 -1.16 0.00 0.00 32.46 30.32 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 -1.04 0.73 -0.44 0.55 5.41 0.22 -4.99 119.36 119.80 1ip9 n ILE 45 Ca 0.20 -0.41 0.00 0.00 1.00 0.00 0.00 62.75 63.54 1ip9 n ILE 45 Cb 0.11 -0.78 0.00 0.00 -0.71 0.00 0.00 39.64 38.26 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 -2.51 -0.95 -3.53 4.38 8.00 -0.36 -5.03 116.55 116.55 1ip9 n ASP 46 Ca -0.19 0.00 -0.15 0.00 0.71 0.00 0.00 54.79 55.16 1ip9 n ASP 46 Cb 0.82 -0.16 -0.07 0.00 -0.02 0.00 0.00 41.12 41.69 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 -2.25 0.00 -0.63 -3.53 -1.32 -1.04 -5.03 115.64 101.84 1ip9 s THR 47 Ca 0.00 -1.79 0.08 0.00 -1.21 0.00 0.00 61.69 58.77 1ip9 s THR 47 Cb 0.00 -2.53 -0.02 0.00 -1.51 0.00 0.00 72.50 68.44 1ip9 s THR 47 CO 0.00 0.00 0.50 -0.90 -2.21 0.00 0.00 174.62 172.01 1ip9 n ASP 48 N -1.14 0.91 -4.04 8.08 5.75 -1.26 -4.32 116.55 120.52 1ip9 n ASP 48 Ca 0.03 -0.95 -0.32 0.00 -0.01 0.00 0.00 54.79 53.54 1ip9 n ASP 48 Cb 0.63 0.58 -0.15 0.00 -1.03 0.00 0.00 41.12 41.14 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 -1.27 4.12 0.03 -1.12 0.02 -1.26 -4.96 114.94 110.49 1ip9 s ASN 49 Ca 0.06 -1.24 -0.12 0.00 -1.02 0.00 0.00 52.86 50.54 1ip9 s ASN 49 Cb 0.06 -1.44 0.01 0.00 0.02 0.00 0.00 41.25 39.91 1ip9 s ASN 49 CO 0.22 -0.18 0.25 0.72 0.02 0.00 0.00 177.10 178.12 1ip9 s PHE 50 N 1.21 -0.04 -0.17 2.20 -0.71 -1.26 -1.63 117.98 117.58 1ip9 s PHE 50 Ca -0.06 -0.09 -0.06 0.00 -1.04 0.00 0.00 56.93 55.68 1ip9 s PHE 50 Cb -0.19 0.03 -0.04 0.00 -1.21 0.00 0.00 43.02 41.62 1ip9 s PHE 50 CO -0.06 -0.44 0.02 -1.59 -1.34 0.00 0.00 175.22 171.81 1ip9 s LYS 51 N -2.26 3.81 -0.11 1.99 -2.85 -0.57 -4.86 119.74 114.88 1ip9 s LYS 51 Ca -0.07 -0.41 -0.01 0.00 -1.00 0.00 0.00 55.97 54.47 1ip9 s LYS 51 Cb -0.02 -3.08 -0.03 0.00 -2.06 0.00 0.00 37.83 32.64 1ip9 s LYS 51 CO -0.02 0.29 -0.06 -0.51 0.10 0.00 0.00 175.35 175.14 1ip9 s LEU 52 N 0.29 3.14 0.32 2.77 1.43 -1.26 -1.80 118.68 123.57 1ip9 s LEU 52 Ca 0.01 -0.11 0.03 0.00 -1.03 0.00 0.00 54.13 53.03 1ip9 s LEU 52 Cb -0.13 -1.72 -0.04 0.00 0.03 0.00 0.00 46.19 44.33 1ip9 s LEU 52 CO 0.01 0.26 0.13 -1.10 0.23 0.00 0.00 176.35 175.88 1ip9 s GLN 53 N -0.17 1.63 -1.19 1.70 1.11 -0.73 -0.60 119.66 121.42 1ip9 s GLN 53 Ca 0.02 -1.93 -0.17 0.00 0.01 0.00 0.00 55.36 53.29 1ip9 s GLN 53 Cb -0.13 -0.33 0.12 0.00 -1.01 0.00 0.00 33.01 31.66 1ip9 s GLN 53 CO 0.03 -0.39 1.51 0.95 0.01 0.00 0.00 175.29 177.40 1ip9 s THR 54 N -3.52 4.55 -0.28 -0.19 -4.23 -0.27 -1.38 115.64 110.31 1ip9 s THR 54 Ca 0.34 -2.05 -0.25 0.00 -1.18 0.00 0.00 61.69 58.55 1ip9 s THR 54 Cb 0.06 -5.02 -0.11 0.00 1.34 0.00 0.00 72.50 68.77 1ip9 s THR 54 CO 0.16 -1.79 1.20 1.17 -0.54 0.00 0.00 174.62 174.81 1ip9 n LYS 55 N 7.10 0.00 -0.78 3.99 0.00 0.88 -1.67 118.16 127.69 1ip9 n LYS 55 Ca 0.39 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.70 1ip9 n LYS 55 Cb 0.46 -0.84 0.00 0.00 0.00 0.00 0.00 35.03 34.65 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 4.18 0.00 0.00 3.14 4.77 -1.26 -4.28 117.00 123.55 1ip9 n LEU 56 Ca 0.31 0.00 0.15 0.00 -0.03 0.00 0.00 56.01 56.43 1ip9 n LEU 56 Cb -0.02 0.00 0.77 0.00 -2.33 0.00 0.00 43.42 41.84 1ip9 n LEU 56 CO 0.49 -0.24 1.02 0.33 -1.33 0.00 0.00 177.39 177.66 1ip9 n PHE 57 N -0.49 0.00 -0.13 -1.77 7.35 -1.26 -3.69 117.46 117.47 1ip9 n PHE 57 Ca 0.00 0.00 -0.24 0.00 -0.76 0.00 0.00 57.45 56.45 1ip9 n PHE 57 Cb 0.00 -0.24 -0.11 0.00 0.35 0.00 0.00 39.48 39.48 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 -1.24 1.97 0.00 -2.13 5.75 -1.26 -5.02 116.55 114.62 1ip9 n ASP 58 Ca 0.16 0.11 0.00 0.00 -0.01 0.00 0.00 54.79 55.05 1ip9 n ASP 58 Cb 0.21 -0.62 0.00 0.00 -1.03 0.00 0.00 41.12 39.68 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 1.74 0.90 3.46 6.12 0.00 -1.24 -5.14 105.19 111.02 1ip9 n GLY 59 Ca -0.50 -0.07 -0.13 0.00 0.00 0.00 0.00 46.02 45.31 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 -0.56 0.00 1.61 1.04 -1.26 -4.29 113.70 110.24 1ip9 s SER 60 Ca 0.00 0.19 0.00 0.00 0.48 0.00 0.00 55.95 56.62 1ip9 s SER 60 Cb 0.00 0.55 0.00 0.00 0.10 0.00 0.00 66.02 66.67 1ip9 s SER 60 CO 0.00 -0.81 0.00 0.61 0.98 0.00 0.00 173.24 174.02 1ip9 n GLY 61 N -0.00 5.42 3.58 7.32 0.00 -0.67 -4.34 105.19 116.49 1ip9 n GLY 61 Ca -0.16 -1.28 -0.61 0.00 0.00 0.00 0.00 46.02 43.96 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 0.42 -1.99 1.61 1.02 -1.26 -3.74 120.64 116.70 1ip9 n GLU 62 Ca 0.00 0.14 -0.25 0.00 -0.02 0.00 0.00 57.16 57.03 1ip9 n GLU 62 Cb 0.00 -1.76 -0.05 0.00 -0.02 0.00 0.00 31.44 29.60 1ip9 n GLU 62 CO 0.00 0.00 0.00 -2.00 1.18 0.00 0.00 177.13 176.31 1ip9 s GLU 63 N 4.27 2.43 -0.44 3.49 2.12 -1.26 -1.12 118.70 128.19 1ip9 s GLU 63 Ca 1.08 -0.20 -0.44 0.00 0.36 0.00 0.00 54.97 55.76 1ip9 s GLU 63 Cb -1.32 -5.03 -0.18 0.00 0.26 0.00 0.00 34.13 27.86 1ip9 s GLU 63 CO 0.70 -3.52 1.77 -0.89 -0.54 0.00 0.00 175.26 172.78 1ip9 n ILE 64 N 7.99 0.08 -2.07 -3.70 -0.00 0.24 -4.75 119.36 117.14 1ip9 n ILE 64 Ca 0.41 -0.03 0.00 0.00 -0.00 0.00 0.00 62.75 63.14 1ip9 n ILE 64 Cb 0.46 -0.73 -0.00 0.00 -0.00 0.00 0.00 39.64 39.38 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 5.19 0.00 -3.58 0.38 4.76 -1.26 -4.51 118.16 119.14 1ip9 n LYS 65 Ca 0.35 -0.92 -0.17 0.00 -2.87 0.00 0.00 58.31 54.71 1ip9 n LYS 65 Cb 0.00 -0.25 -0.07 0.00 -1.84 0.00 0.00 35.03 32.87 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 0.01 0.66 -0.18 -4.23 -1.26 -4.99 115.64 105.64 1ip9 s THR 66 Ca 0.05 -0.09 0.24 0.00 -1.18 0.00 0.00 61.69 60.71 1ip9 s THR 66 Cb 0.06 -0.91 0.25 0.00 1.34 0.00 0.00 72.50 73.24 1ip9 s THR 66 CO -0.02 -0.05 1.73 0.44 -0.54 0.00 0.00 174.62 176.17 1ip9 h ASP 67 N 3.40 0.00 0.23 3.99 3.32 -1.95 0.29 116.42 125.70 1ip9 h ASP 67 Ca -0.28 0.00 -0.32 0.00 0.02 0.00 0.00 57.03 56.46 1ip9 h ASP 67 Cb 1.15 0.00 0.03 0.00 0.22 0.00 0.00 39.33 40.73 1ip9 h ASP 67 CO 0.36 0.00 -1.43 -1.28 -1.72 0.00 0.00 179.24 175.17 1ip9 h SER 68 N 0.00 0.76 -0.29 6.45 0.87 -1.95 -1.57 113.55 117.82 1ip9 h SER 68 Ca 0.03 -0.93 -0.05 0.00 -1.23 0.00 0.00 61.79 59.61 1ip9 h SER 68 Cb 1.02 -0.25 -0.02 0.00 -0.44 0.00 0.00 62.40 62.72 1ip9 h SER 68 CO -0.00 1.68 0.01 1.56 -0.53 0.00 0.00 176.83 179.56 1ip9 h GLN 69 N 0.06 0.61 -0.01 2.24 1.08 -0.83 0.27 115.11 118.53 1ip9 h GLN 69 Ca -0.26 -0.14 -0.07 0.00 -1.45 0.00 0.00 58.65 56.74 1ip9 h GLN 69 Cb 2.08 -0.09 0.01 0.00 -0.05 0.00 0.00 27.48 29.43 1ip9 h GLN 69 CO 0.24 0.62 -0.26 0.28 -0.95 0.00 0.00 178.83 178.77 1ip9 h VAL 70 N 0.58 1.53 0.00 -0.54 2.07 -1.47 -0.58 116.25 117.84 1ip9 h VAL 70 Ca 0.12 -1.91 0.00 0.00 0.82 0.00 0.00 66.70 65.73 1ip9 h VAL 70 Cb 0.35 2.71 0.00 0.00 -1.52 0.00 0.00 31.29 32.83 1ip9 h VAL 70 CO 0.01 0.53 0.00 -1.20 0.02 0.00 0.00 177.57 176.93 1ip9 n SER 71 N -4.50 0.62 0.02 0.57 7.64 -0.59 -0.15 113.62 117.22 1ip9 n SER 71 Ca -0.10 0.69 -0.21 0.00 1.01 0.00 0.00 58.87 60.26 1ip9 n SER 71 Cb 0.50 -0.81 -0.14 0.00 -1.01 0.00 0.00 64.21 62.76 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 0.40 0.54 6.43 -1.24 -0.30 -1.57 115.58 119.83 1ip9 h ASN 72 Ca 0.00 -0.87 -0.00 0.00 0.71 0.00 0.00 56.30 56.14 1ip9 h ASN 72 Cb 0.26 -0.13 -0.00 0.00 0.73 0.00 0.00 38.32 39.18 1ip9 h ASN 72 CO 0.00 1.58 -0.00 0.40 -1.29 0.00 0.00 177.43 178.12 1ip9 h ILE 73 N -0.32 0.01 0.05 2.57 5.03 -0.26 0.26 117.51 124.86 1ip9 h ILE 73 Ca -0.28 -0.28 -0.00 0.00 -0.12 0.00 0.00 64.86 64.18 1ip9 h ILE 73 Cb 1.74 1.27 0.00 0.00 -3.03 0.00 0.00 36.82 36.80 1ip9 h ILE 73 CO 0.07 0.00 -0.03 0.40 -0.68 0.00 0.00 178.15 177.92 1ip9 h ILE 74 N 0.00 1.24 0.00 -0.67 2.04 -0.46 1.29 117.51 120.95 1ip9 h ILE 74 Ca -0.00 -1.57 0.00 0.00 1.00 0.00 0.00 64.86 64.29 1ip9 h ILE 74 Cb 0.27 2.18 0.00 0.00 -0.74 0.00 0.00 36.82 38.54 1ip9 h ILE 74 CO 0.00 0.36 0.00 0.00 0.00 0.00 0.00 178.15 178.51 1ip9 n GLN 75 N -4.78 0.15 0.00 2.37 6.02 -0.60 -3.06 117.38 117.48 1ip9 n GLN 75 Ca -0.08 0.22 0.01 0.00 -0.01 0.00 0.00 57.00 57.15 1ip9 n GLN 75 Cb 0.32 -1.71 0.01 0.00 1.02 0.00 0.00 30.24 29.87 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 -1.68 2.46 -3.31 -1.58 0.00 0.88 -5.05 120.51 112.21 1ip9 n ALA 76 Ca 0.05 -0.40 -0.24 0.00 0.00 0.00 0.00 53.44 52.85 1ip9 n ALA 76 Cb 0.33 -0.10 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 -0.16 -1.64 -4.55 0.00 4.81 0.44 -4.94 118.16 112.12 1ip9 n LYS 77 Ca 0.01 1.41 -0.34 0.00 -0.87 0.00 0.00 58.31 58.52 1ip9 n LYS 77 Cb 0.07 -2.34 -0.11 0.00 0.02 0.00 0.00 35.03 32.66 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 -2.05 3.21 0.12 3.14 2.01 -0.83 -5.01 118.68 119.27 1ip9 s LEU 78 Ca 0.25 -0.05 -0.31 0.00 0.01 0.00 0.00 54.13 54.03 1ip9 s LEU 78 Cb -0.03 -1.72 -0.08 0.00 0.01 0.00 0.00 46.19 44.36 1ip9 s LEU 78 CO 0.64 0.30 1.46 -0.54 1.01 0.00 0.00 176.35 179.22 1ip9 s LYS 79 N -0.45 4.28 0.09 1.70 1.02 -1.26 -4.48 119.74 120.64 1ip9 s LYS 79 Ca 0.07 2.17 -0.02 0.00 0.02 0.00 0.00 55.97 58.21 1ip9 s LYS 79 Cb -0.12 -3.27 -0.05 0.00 -0.52 0.00 0.00 37.83 33.87 1ip9 s LYS 79 CO 0.02 -0.52 0.27 0.42 -0.92 0.00 0.00 175.35 174.63 1ip9 s ILE 80 N 1.34 5.31 -0.06 2.17 -1.09 0.20 0.30 121.20 129.37 1ip9 s ILE 80 Ca 0.67 -0.24 0.04 0.00 -2.23 0.00 0.00 60.65 58.88 1ip9 s ILE 80 Cb -0.39 -3.63 -0.02 0.00 -1.58 0.00 0.00 42.46 36.84 1ip9 s ILE 80 CO 0.30 0.09 -0.16 -0.44 -1.23 0.00 0.00 174.94 173.50 1ip9 s SER 81 N -2.50 3.83 -0.13 3.58 0.01 -0.48 0.18 113.70 118.18 1ip9 s SER 81 Ca 0.37 -0.28 0.02 0.00 1.31 0.00 0.00 55.95 57.38 1ip9 s SER 81 Cb -0.13 -0.93 0.01 0.00 0.21 0.00 0.00 66.02 65.18 1ip9 s SER 81 CO 0.27 0.30 -0.21 -0.69 0.41 0.00 0.00 173.24 173.32 1ip9 s VAL 82 N -0.47 1.94 0.35 3.43 1.01 -0.68 -1.77 120.40 124.22 1ip9 s VAL 82 Ca 0.06 -0.91 0.09 0.00 0.00 0.00 0.00 61.98 61.22 1ip9 s VAL 82 Cb -0.12 -1.72 -0.06 0.00 0.00 0.00 0.00 36.38 34.47 1ip9 s VAL 82 CO 0.02 0.53 -0.07 -1.00 0.00 0.00 0.00 175.10 174.57 1ip9 s HIS 83 N 0.84 2.44 0.05 5.22 3.76 -0.75 -2.46 115.29 124.39 1ip9 s HIS 83 Ca -0.07 -0.50 -0.19 0.00 -0.15 0.00 0.00 55.06 54.14 1ip9 s HIS 83 Cb -0.15 -1.43 -0.06 0.00 1.11 0.00 0.00 32.58 32.04 1ip9 s HIS 83 CO -0.02 0.56 0.57 -0.51 -0.85 0.00 0.00 174.74 174.49 1ip9 s ASP 84 N -3.64 7.03 0.00 1.40 1.01 -1.26 -1.51 116.67 119.70 1ip9 s ASP 84 Ca 0.33 1.23 0.00 0.00 0.71 0.00 0.00 52.55 54.82 1ip9 s ASP 84 Cb 0.02 -2.36 0.00 0.00 1.01 0.00 0.00 42.92 41.60 1ip9 s ASP 84 CO 0.17 0.23 0.00 2.30 0.21 0.00 0.00 175.17 178.08