#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 1.05 -3.64 4.61 0.00 -1.26 -5.04 120.51 116.24 1ip9 n ALA 2 Ca 0.00 -0.51 -0.35 0.00 0.00 0.00 0.00 53.44 52.58 1ip9 n ALA 2 Cb 0.00 -0.02 -0.14 0.00 0.00 0.00 0.00 19.45 19.29 1ip9 n ALA 2 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ip9 s MET 3 N 0.00 2.77 0.72 0.00 0.00 -1.26 -5.10 119.30 116.43 1ip9 s MET 3 Ca 0.00 -1.03 -0.02 0.00 0.00 0.00 0.00 55.69 54.64 1ip9 s MET 3 Cb 0.00 -3.08 0.12 0.00 0.00 0.00 0.00 34.83 31.87 1ip9 s MET 3 CO 0.00 -0.46 1.00 0.20 0.00 0.00 0.00 175.02 175.76 1ip9 s GLY 4 N 1.33 1.76 -0.49 3.16 0.00 -1.26 -5.08 107.32 106.74 1ip9 s GLY 4 Ca -0.01 -1.61 0.07 0.00 0.00 0.00 0.00 44.72 43.17 1ip9 s GLY 4 CO -0.03 -1.06 0.69 -1.35 0.00 0.00 0.00 173.10 171.34 1ip9 s SER 5 N -4.71 -1.30 -0.04 1.64 1.04 -1.26 -5.13 113.70 103.94 1ip9 s SER 5 Ca 0.66 -1.59 -0.01 0.00 0.48 0.00 0.00 55.95 55.49 1ip9 s SER 5 Cb -0.06 1.80 0.03 0.00 0.10 0.00 0.00 66.02 67.89 1ip9 s SER 5 CO 0.44 -0.08 0.04 -0.94 0.98 0.00 0.00 173.24 173.68 1ip9 s SER 6 N 1.05 0.84 -0.44 7.02 1.04 -1.26 -5.09 113.70 116.86 1ip9 s SER 6 Ca 0.27 0.04 0.03 0.00 0.48 0.00 0.00 55.95 56.76 1ip9 s SER 6 Cb -0.01 -0.17 0.15 0.00 0.10 0.00 0.00 66.02 66.10 1ip9 s SER 6 CO -0.06 -0.20 0.30 -0.89 0.98 0.00 0.00 173.24 173.38 1ip9 s THR 7 N 1.73 0.93 0.00 2.02 2.01 -1.26 -5.08 115.64 116.00 1ip9 s THR 7 Ca -0.00 -2.62 0.00 0.00 0.31 0.00 0.00 61.69 59.38 1ip9 s THR 7 Cb -0.12 -1.65 0.00 0.00 0.01 0.00 0.00 72.50 70.74 1ip9 s THR 7 CO -0.03 -1.05 0.00 -1.54 -0.69 0.00 0.00 174.62 171.31 1ip9 n SER 8 N 3.21 0.00 0.00 3.53 3.41 -1.26 -5.05 113.62 117.46 1ip9 n SER 8 Ca 0.18 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.79 1ip9 n SER 8 Cb 0.40 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.35 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 -0.21 4.19 3.85 5.00 0.00 -1.26 -5.11 105.19 111.64 1ip9 n GLY 9 Ca 0.00 -0.71 -0.32 0.00 0.00 0.00 0.00 46.02 44.99 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 3.98 0.00 0.99 1.02 -1.26 -5.07 118.68 118.34 1ip9 s LEU 10 Ca 0.00 1.34 0.00 0.00 0.02 0.00 0.00 54.13 55.49 1ip9 s LEU 10 Cb 0.00 -4.17 0.00 0.00 0.02 0.00 0.00 46.19 42.04 1ip9 s LEU 10 CO 0.00 -0.28 0.00 1.17 0.02 0.00 0.00 176.35 177.26 1ip9 n LYS 11 N -0.62 0.57 -1.57 1.70 3.00 -1.26 -5.08 118.16 114.91 1ip9 n LYS 11 Ca 0.04 0.00 -0.52 0.00 -0.00 0.00 0.00 58.31 57.83 1ip9 n LYS 11 Cb 0.53 0.00 -0.05 0.00 0.00 0.00 0.00 35.03 35.51 1ip9 n LYS 11 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.40 177.65 1ip9 n THR 12 N 0.00 0.38 -3.18 3.15 -2.24 -1.26 -4.89 114.28 106.24 1ip9 n THR 12 Ca 0.00 -0.10 -0.39 0.00 -2.27 0.00 0.00 64.05 61.29 1ip9 n THR 12 Cb 0.00 -0.68 -0.06 0.00 -2.10 0.00 0.00 70.33 67.49 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 0.13 5.09 -0.41 4.28 2.01 -0.45 -4.75 115.64 121.54 1ip9 s THR 13 Ca 0.81 1.16 -0.24 0.00 0.31 0.00 0.00 61.69 63.72 1ip9 s THR 13 Cb -0.96 -3.92 0.02 0.00 0.01 0.00 0.00 72.50 67.65 1ip9 s THR 13 CO 0.50 0.23 0.84 -0.75 -0.69 0.00 0.00 174.62 174.75 1ip9 s LYS 14 N 1.12 3.63 -0.07 4.92 2.20 -1.26 -2.02 119.74 128.26 1ip9 s LYS 14 Ca 0.30 0.21 0.04 0.00 -0.36 0.00 0.00 55.97 56.16 1ip9 s LYS 14 Cb -0.16 -3.87 -0.01 0.00 -1.51 0.00 0.00 37.83 32.28 1ip9 s LYS 14 CO 0.12 -1.02 -0.20 0.42 -0.36 0.00 0.00 175.35 174.32 1ip9 s ILE 15 N 3.36 2.50 -0.27 5.43 1.01 -0.90 -4.89 121.20 127.44 1ip9 s ILE 15 Ca 0.33 -0.90 -0.08 0.00 0.00 0.00 0.00 60.65 60.01 1ip9 s ILE 15 Cb -0.12 -1.96 -0.02 0.00 0.01 0.00 0.00 42.46 40.37 1ip9 s ILE 15 CO 0.21 0.56 0.09 -0.54 0.00 0.00 0.00 174.94 175.26 1ip9 s LYS 16 N -0.14 3.53 0.82 2.79 -0.14 -1.26 -1.49 119.74 123.85 1ip9 s LYS 16 Ca -0.03 -0.57 -0.10 0.00 -1.36 0.00 0.00 55.97 53.91 1ip9 s LYS 16 Cb -0.14 -3.38 0.12 0.00 -1.68 0.00 0.00 37.83 32.75 1ip9 s LYS 16 CO 0.04 -0.26 1.16 -0.06 -0.76 0.00 0.00 175.35 175.46 1ip9 s PHE 17 N 1.60 2.28 -0.41 3.18 0.40 -0.31 -1.08 117.98 123.64 1ip9 s PHE 17 Ca 0.06 0.37 0.09 0.00 -0.60 0.00 0.00 56.93 56.84 1ip9 s PHE 17 Cb -0.16 -3.56 0.28 0.00 0.51 0.00 0.00 43.02 40.09 1ip9 s PHE 17 CO 0.04 -1.97 0.59 0.66 0.70 0.00 0.00 175.22 175.25 1ip9 n TYR 18 N -3.29 0.13 -2.16 0.36 4.02 0.73 -3.55 117.16 113.40 1ip9 n TYR 18 Ca 0.11 -3.67 -0.43 0.00 -0.01 0.00 0.00 57.90 53.90 1ip9 n TYR 18 Cb 0.60 -0.38 -0.02 0.00 -0.02 0.00 0.00 39.34 39.51 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 -1.61 2.09 0.00 -0.72 5.04 -0.68 -1.74 117.35 119.72 1ip9 s TYR 19 Ca 0.37 0.64 0.00 0.00 -2.44 0.00 0.00 57.07 55.64 1ip9 s TYR 19 Cb 0.21 -4.20 0.00 0.00 0.35 0.00 0.00 41.96 38.33 1ip9 s TYR 19 CO -0.10 -2.53 0.00 1.63 -1.34 0.00 0.00 175.55 173.21 1ip9 n LYS 20 N 8.21 0.00 0.01 4.97 5.02 -1.06 -1.06 118.16 134.27 1ip9 n LYS 20 Ca 0.20 0.00 0.13 0.00 -2.02 0.00 0.00 58.31 56.61 1ip9 n LYS 20 Cb 0.47 0.00 0.33 0.00 -0.02 0.00 0.00 35.03 35.82 1ip9 n LYS 20 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1ip9 n ASP 21 N 0.94 0.42 -4.89 4.39 2.03 -1.26 -4.85 116.55 113.33 1ip9 n ASP 21 Ca 0.00 0.04 -0.29 0.00 0.52 0.00 0.00 54.79 55.06 1ip9 n ASP 21 Cb 0.00 0.00 -0.01 0.00 -0.72 0.00 0.00 41.12 40.39 1ip9 n ASP 21 CO 0.00 0.00 0.00 -1.81 -1.92 0.00 0.00 177.20 173.47 1ip9 s ASP 22 N -3.28 6.35 -0.01 1.67 1.11 -0.22 -5.09 116.67 117.20 1ip9 s ASP 22 Ca 0.11 1.09 -0.10 0.00 0.18 0.00 0.00 52.55 53.83 1ip9 s ASP 22 Cb 0.17 -2.32 0.01 0.00 1.07 0.00 0.00 42.92 41.85 1ip9 s ASP 22 CO 0.66 -0.57 0.21 -0.63 1.18 0.00 0.00 175.17 176.01 1ip9 s ILE 23 N -2.70 0.07 0.22 0.77 1.01 -1.26 -1.69 121.20 117.62 1ip9 s ILE 23 Ca 0.50 -0.56 0.03 0.00 0.00 0.00 0.00 60.65 60.62 1ip9 s ILE 23 Cb -0.10 -0.49 -0.01 0.00 0.01 0.00 0.00 42.46 41.87 1ip9 s ILE 23 CO 0.42 -0.31 0.09 2.22 0.00 0.00 0.00 174.94 177.36 1ip9 n PHE 24 N 1.50 0.00 -3.89 3.97 -1.74 -1.23 -4.94 117.46 111.13 1ip9 n PHE 24 Ca -0.22 -1.48 -0.10 0.00 -0.56 0.00 0.00 57.45 55.09 1ip9 n PHE 24 Cb 0.56 0.02 -0.09 0.00 1.52 0.00 0.00 39.48 41.49 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 -2.64 -0.23 -0.03 1.98 0.00 -1.26 -1.17 121.76 118.42 1ip9 s ALA 25 Ca 0.13 -0.37 -0.02 0.00 0.00 0.00 0.00 51.96 51.70 1ip9 s ALA 25 Cb 0.01 0.24 0.01 0.00 0.00 0.00 0.00 23.12 23.37 1ip9 s ALA 25 CO 0.09 -0.32 0.07 -1.17 0.00 0.00 0.00 175.76 174.44 1ip9 s LEU 26 N -1.98 1.66 -0.47 0.00 2.96 -0.55 -4.95 118.68 115.35 1ip9 s LEU 26 Ca -0.07 0.15 -0.17 0.00 -0.22 0.00 0.00 54.13 53.82 1ip9 s LEU 26 Cb -0.02 0.24 0.06 0.00 0.50 0.00 0.00 46.19 46.96 1ip9 s LEU 26 CO -0.03 -0.03 0.47 -0.04 -1.32 0.00 0.00 176.35 175.39 1ip9 s MET 27 N 0.12 3.04 -0.02 1.98 -1.94 -1.26 -2.12 119.30 119.11 1ip9 s MET 27 Ca -0.01 -1.08 -0.20 0.00 -1.71 0.00 0.00 55.69 52.69 1ip9 s MET 27 Cb -0.01 -4.08 -0.05 0.00 2.01 0.00 0.00 34.83 32.69 1ip9 s MET 27 CO -0.00 -1.04 0.57 -0.51 -0.01 0.00 0.00 175.02 174.03 1ip9 s LEU 28 N 2.04 4.40 -0.06 -0.03 2.01 -0.86 -4.76 118.68 121.42 1ip9 s LEU 28 Ca 0.09 1.10 0.17 0.00 0.01 0.00 0.00 54.13 55.50 1ip9 s LEU 28 Cb -0.21 -2.87 0.60 0.00 0.01 0.00 0.00 46.19 43.71 1ip9 s LEU 28 CO 0.10 0.10 1.49 1.17 1.01 0.00 0.00 176.35 180.22 1ip9 n LYS 29 N 2.79 3.01 0.00 1.70 0.00 -1.26 -1.34 118.16 123.07 1ip9 n LYS 29 Ca -0.07 -2.38 0.00 0.00 0.00 0.00 0.00 58.31 55.86 1ip9 n LYS 29 Cb 0.51 -1.69 0.00 0.00 0.00 0.00 0.00 35.03 33.85 1ip9 n LYS 29 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1ip9 n GLY 30 N 1.20 2.21 0.02 3.14 0.00 -1.26 -4.81 105.19 105.70 1ip9 n GLY 30 Ca 0.22 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.35 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 0.62 -4.69 1.61 5.75 -1.26 -4.94 116.55 113.65 1ip9 n ASP 31 Ca 0.00 -0.38 -0.44 0.00 -0.01 0.00 0.00 54.79 53.96 1ip9 n ASP 31 Cb 0.00 0.98 -0.02 0.00 -1.03 0.00 0.00 41.12 41.05 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 -1.86 1.04 -3.51 2.12 -1.04 -1.26 -4.99 114.28 104.78 1ip9 n THR 32 Ca 0.02 -0.26 -0.14 0.00 -2.04 0.00 0.00 64.05 61.62 1ip9 n THR 32 Cb 0.42 -1.57 0.01 0.00 -1.82 0.00 0.00 70.33 67.38 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 1.84 0.00 0.13 12.58 -2.24 -1.26 -4.47 114.28 120.86 1ip9 n THR 33 Ca 0.11 -1.27 -0.22 0.00 -2.27 0.00 0.00 64.05 60.39 1ip9 n THR 33 Cb 0.33 -0.37 -0.15 0.00 -2.10 0.00 0.00 70.33 68.03 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 0.43 0.86 -0.16 4.78 3.20 -1.83 -1.63 116.97 122.62 1ip9 h TYR 34 Ca -0.20 -0.62 -0.13 0.00 3.14 0.00 0.00 58.73 60.93 1ip9 h TYR 34 Cb 0.77 -0.04 -0.01 0.00 1.54 0.00 0.00 36.73 38.99 1ip9 h TYR 34 CO 0.00 1.48 -0.44 0.87 -1.64 0.00 0.00 178.16 178.43 1ip9 h LYS 35 N 0.14 0.38 -0.63 1.82 1.79 -1.94 -0.73 116.57 117.40 1ip9 h LYS 35 Ca -0.22 -0.20 -0.08 0.00 -2.18 0.00 0.00 60.65 57.97 1ip9 h LYS 35 Cb 2.10 0.01 -0.02 0.00 -1.58 0.00 0.00 32.23 32.73 1ip9 h LYS 35 CO 0.26 0.76 0.07 1.49 -1.08 0.00 0.00 179.45 180.94 1ip9 h GLU 36 N 0.31 1.07 0.00 3.15 4.57 -1.94 0.32 114.58 122.06 1ip9 h GLU 36 Ca 0.02 -0.31 -0.01 0.00 -1.18 0.00 0.00 59.36 57.89 1ip9 h GLU 36 Cb 0.91 -0.11 -0.00 0.00 -0.16 0.00 0.00 28.75 29.38 1ip9 h GLU 36 CO 0.08 1.01 -0.03 1.25 -1.18 0.00 0.00 179.01 180.14 1ip9 h LEU 37 N 0.98 0.00 -0.06 1.64 6.46 -0.67 -0.26 115.31 123.40 1ip9 h LEU 37 Ca 0.19 0.00 -0.08 0.00 -0.12 0.00 0.00 57.88 57.87 1ip9 h LEU 37 Cb 0.48 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.42 1ip9 h LEU 37 CO 0.02 0.03 -0.26 0.03 -0.62 0.00 0.00 178.44 177.64 1ip9 h ARG 38 N 0.00 0.28 0.00 1.25 3.08 0.50 -0.38 114.38 119.12 1ip9 h ARG 38 Ca -0.00 -0.22 0.00 0.00 0.07 0.00 0.00 59.98 59.83 1ip9 h ARG 38 Cb 0.06 0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.15 1ip9 h ARG 38 CO 0.00 0.86 0.00 0.77 -1.07 0.00 0.00 179.97 180.54 1ip9 h SER 39 N -0.23 0.00 0.39 7.04 0.02 -0.69 -1.11 113.55 118.98 1ip9 h SER 39 Ca -0.01 0.00 -0.31 0.00 -0.84 0.00 0.00 61.79 60.63 1ip9 h SER 39 Cb 0.90 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 63.39 1ip9 h SER 39 CO 0.05 0.00 -1.83 0.29 -1.14 0.00 0.00 176.83 174.20 1ip9 n LYS 40 N -2.71 0.65 0.02 3.45 5.02 -0.16 -4.18 118.16 120.25 1ip9 n LYS 40 Ca 0.04 0.25 -0.10 0.00 -2.02 0.00 0.00 58.31 56.48 1ip9 n LYS 40 Cb 0.41 -1.75 -0.13 0.00 -0.02 0.00 0.00 35.03 33.54 1ip9 n LYS 40 CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 1ip9 h ILE 41 N 0.01 1.17 -0.74 -0.18 2.04 -1.05 -3.37 117.51 115.38 1ip9 h ILE 41 Ca -0.33 -2.94 0.14 0.00 1.00 0.00 0.00 64.86 62.73 1ip9 h ILE 41 Cb 2.05 2.61 -0.10 0.00 -0.74 0.00 0.00 36.82 40.64 1ip9 h ILE 41 CO 0.07 0.71 0.27 0.00 0.00 0.00 0.00 178.15 179.20 1ip9 h ALA 42 N 0.89 1.03 0.00 1.87 0.00 -1.36 0.14 119.26 121.82 1ip9 h ALA 42 Ca -0.20 0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1ip9 h ALA 42 Cb 1.94 0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.84 1ip9 h ALA 42 CO 0.11 -0.24 0.00 -1.00 0.00 0.00 0.00 179.25 178.12 1ip9 h PRO 43 N 0.40 0.00 -0.02 0.00 0.13 -1.74 -2.02 132.00 128.75 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 -0.42 0.00 -0.19 0.54 -0.23 0.00 0.00 178.00 177.70 1ip9 n ARG 44 N -2.91 1.77 -0.09 0.86 5.12 0.28 -4.21 116.66 117.47 1ip9 n ARG 44 Ca 0.02 -1.41 -0.10 0.00 -1.93 0.00 0.00 57.85 54.43 1ip9 n ARG 44 Cb 0.34 -1.47 -0.13 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 0.61 1.17 -0.42 0.55 5.41 0.01 -4.98 119.36 121.71 1ip9 n ILE 45 Ca 0.13 -0.66 0.00 0.00 1.00 0.00 0.00 62.75 63.21 1ip9 n ILE 45 Cb 0.51 -0.71 0.00 0.00 -0.71 0.00 0.00 39.64 38.74 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 -2.73 -1.15 -3.53 4.38 8.00 -0.80 -5.03 116.55 115.68 1ip9 n ASP 46 Ca -0.30 0.00 -0.15 0.00 0.71 0.00 0.00 54.79 55.05 1ip9 n ASP 46 Cb 1.02 -0.19 -0.07 0.00 -0.02 0.00 0.00 41.12 41.86 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 -0.51 -3.53 -1.32 -1.18 -5.05 115.64 101.97 1ip9 s THR 47 Ca 0.00 -1.77 0.07 0.00 -1.21 0.00 0.00 61.69 58.78 1ip9 s THR 47 Cb 0.00 -2.53 -0.04 0.00 -1.51 0.00 0.00 72.50 68.42 1ip9 s THR 47 CO 0.00 0.00 0.42 -0.67 -2.21 0.00 0.00 174.62 172.16 1ip9 n ASP 48 N -1.14 0.69 -4.06 8.08 2.03 -1.26 -4.45 116.55 116.43 1ip9 n ASP 48 Ca 0.03 -0.84 -0.32 0.00 0.52 0.00 0.00 54.79 54.18 1ip9 n ASP 48 Cb 0.63 0.74 -0.16 0.00 -0.72 0.00 0.00 41.12 41.61 1ip9 n ASP 48 CO 0.00 0.00 0.00 0.20 -1.92 0.00 0.00 177.20 175.48 1ip9 s ASN 49 N -1.41 3.82 0.14 1.67 0.01 -1.26 -4.97 114.94 112.94 1ip9 s ASN 49 Ca 0.04 -1.07 -0.08 0.00 -0.71 0.00 0.00 52.86 51.05 1ip9 s ASN 49 Cb 0.06 -1.45 -0.01 0.00 0.41 0.00 0.00 41.25 40.26 1ip9 s ASN 49 CO 0.24 -0.13 0.24 0.72 -1.51 0.00 0.00 177.10 176.66 1ip9 s PHE 50 N 1.23 0.39 -0.24 2.20 -0.71 -1.26 -1.66 117.98 117.93 1ip9 s PHE 50 Ca -0.03 -0.77 -0.04 0.00 -1.04 0.00 0.00 56.93 55.05 1ip9 s PHE 50 Cb -0.17 -0.10 0.01 0.00 -1.21 0.00 0.00 43.02 41.54 1ip9 s PHE 50 CO -0.08 -0.66 -0.03 0.21 -1.34 0.00 0.00 175.22 173.33 1ip9 s LYS 51 N -3.95 3.16 -0.18 1.99 2.20 -0.45 -4.81 119.74 117.69 1ip9 s LYS 51 Ca 0.15 -0.78 -0.09 0.00 -0.36 0.00 0.00 55.97 54.90 1ip9 s LYS 51 Cb 0.04 -3.06 -0.05 0.00 -1.51 0.00 0.00 37.83 33.25 1ip9 s LYS 51 CO -0.02 -0.30 0.11 -0.51 -0.36 0.00 0.00 175.35 174.26 1ip9 s LEU 52 N 1.43 4.10 0.30 5.43 1.43 -1.25 -0.96 118.68 129.15 1ip9 s LEU 52 Ca 0.04 0.21 0.02 0.00 -1.03 0.00 0.00 54.13 53.37 1ip9 s LEU 52 Cb -0.15 -2.04 -0.05 0.00 0.03 0.00 0.00 46.19 43.97 1ip9 s LEU 52 CO -0.03 0.21 0.10 -1.10 0.23 0.00 0.00 176.35 175.76 1ip9 s GLN 53 N 0.18 1.55 -1.12 1.70 1.11 -0.60 -1.25 119.66 121.24 1ip9 s GLN 53 Ca 0.07 -1.87 -0.18 0.00 0.01 0.00 0.00 55.36 53.40 1ip9 s GLN 53 Cb -0.11 -0.41 0.11 0.00 -1.01 0.00 0.00 33.01 31.58 1ip9 s GLN 53 CO -0.01 -0.32 1.43 0.95 0.01 0.00 0.00 175.29 177.36 1ip9 s THR 54 N -3.57 4.49 -0.30 -0.19 -4.23 -1.13 -1.27 115.64 109.45 1ip9 s THR 54 Ca 0.36 -1.79 -0.05 0.00 -1.18 0.00 0.00 61.69 59.03 1ip9 s THR 54 Cb 0.07 -4.98 -0.09 0.00 1.34 0.00 0.00 72.50 68.84 1ip9 s THR 54 CO 0.15 -1.76 0.69 1.17 -0.54 0.00 0.00 174.62 174.33 1ip9 n LYS 55 N 7.24 0.00 0.00 3.99 0.00 0.75 -3.19 118.16 126.95 1ip9 n LYS 55 Ca 0.36 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.67 1ip9 n LYS 55 Cb 0.47 -0.34 0.00 0.00 0.00 0.00 0.00 35.03 35.16 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 2.07 0.00 0.00 3.14 4.77 -1.26 -4.56 117.00 121.16 1ip9 n LEU 56 Ca 0.20 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.18 1ip9 n LEU 56 Cb 0.03 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.12 1ip9 n LEU 56 CO 0.32 0.00 0.00 2.22 -1.33 0.00 0.00 177.39 178.60 1ip9 n PHE 57 N 0.00 0.00 0.19 -1.77 -1.74 -1.26 -4.91 117.46 107.97 1ip9 n PHE 57 Ca 0.00 0.00 0.12 0.00 -0.56 0.00 0.00 57.45 57.01 1ip9 n PHE 57 Cb 0.00 0.00 0.13 0.00 1.52 0.00 0.00 39.48 41.13 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 0.00 0.00 5.98 2.03 -1.99 -3.47 116.42 118.96 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 0.00 0.00 0.61 -1.03 0.00 0.00 179.24 178.82 1ip9 n GLY 59 N 1.12 -1.84 3.53 7.15 0.00 -1.26 -5.15 105.19 108.74 1ip9 n GLY 59 Ca 0.03 0.63 -0.11 0.00 0.00 0.00 0.00 46.02 46.57 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 -0.93 0.17 0.00 1.61 1.04 -1.26 -4.47 113.70 109.86 1ip9 s SER 60 Ca 0.00 -1.12 0.00 0.00 0.48 0.00 0.00 55.95 55.31 1ip9 s SER 60 Cb 0.00 0.59 0.00 0.00 0.10 0.00 0.00 66.02 66.71 1ip9 s SER 60 CO 0.00 -1.17 0.00 0.61 0.98 0.00 0.00 173.24 173.66 1ip9 n GLY 61 N -0.42 5.30 3.37 7.32 0.00 -1.19 -4.56 105.19 115.01 1ip9 n GLY 61 Ca -0.01 -1.43 -0.53 0.00 0.00 0.00 0.00 46.02 44.05 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 0.52 -1.67 1.61 -0.58 -1.26 -4.17 120.64 115.08 1ip9 n GLU 62 Ca 0.00 0.13 -0.16 0.00 -0.42 0.00 0.00 57.16 56.71 1ip9 n GLU 62 Cb 0.00 -2.00 -0.07 0.00 -0.57 0.00 0.00 31.44 28.80 1ip9 n GLU 62 CO 0.00 0.00 0.00 -2.00 -0.48 0.00 0.00 177.13 174.65 1ip9 s GLU 63 N 6.46 1.79 -0.21 3.49 2.12 -1.26 -2.82 118.70 128.27 1ip9 s GLU 63 Ca 1.16 0.30 -0.42 0.00 0.36 0.00 0.00 54.97 56.37 1ip9 s GLU 63 Cb -1.14 -4.85 -0.19 0.00 0.26 0.00 0.00 34.13 28.21 1ip9 s GLU 63 CO 0.55 -4.25 1.43 -0.89 -0.54 0.00 0.00 175.26 171.56 1ip9 n ILE 64 N 8.61 0.06 -1.91 -3.70 -0.00 -0.38 -4.77 119.36 117.27 1ip9 n ILE 64 Ca 0.45 -0.01 0.00 0.00 -0.00 0.00 0.00 62.75 63.19 1ip9 n ILE 64 Cb 0.44 -0.56 0.00 0.00 -0.00 0.00 0.00 39.64 39.52 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 3.31 0.00 -3.71 0.38 5.02 -1.26 -4.54 118.16 117.36 1ip9 n LYS 65 Ca 0.25 -0.29 -0.14 0.00 -2.02 0.00 0.00 58.31 56.10 1ip9 n LYS 65 Cb 0.06 -0.17 -0.08 0.00 -0.02 0.00 0.00 35.03 34.82 1ip9 n LYS 65 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1ip9 s THR 66 N 0.00 0.03 0.64 -0.18 -4.23 -1.26 -4.98 115.64 105.65 1ip9 s THR 66 Ca 0.00 -0.25 0.22 0.00 -1.18 0.00 0.00 61.69 60.47 1ip9 s THR 66 Cb 0.00 -0.68 0.26 0.00 1.34 0.00 0.00 72.50 73.42 1ip9 s THR 66 CO 0.00 -0.14 1.57 0.44 -0.54 0.00 0.00 174.62 175.95 1ip9 h ASP 67 N 4.16 0.00 0.17 3.99 5.19 -1.93 0.34 116.42 128.35 1ip9 h ASP 67 Ca -0.28 0.00 -0.24 0.00 -0.62 0.00 0.00 57.03 55.89 1ip9 h ASP 67 Cb 1.17 0.00 0.03 0.00 0.18 0.00 0.00 39.33 40.71 1ip9 h ASP 67 CO 0.35 0.00 -1.05 0.28 -3.12 0.00 0.00 179.24 175.70 1ip9 h SER 68 N 0.00 0.57 -0.28 6.45 0.02 -1.94 -1.50 113.55 116.87 1ip9 h SER 68 Ca 0.14 -0.94 -0.03 0.00 -0.84 0.00 0.00 61.79 60.12 1ip9 h SER 68 Cb 1.55 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 63.89 1ip9 h SER 68 CO -0.00 1.50 0.09 1.56 -1.14 0.00 0.00 176.83 178.84 1ip9 h GLN 69 N -0.22 0.52 0.00 3.45 1.08 -0.73 0.14 115.11 119.36 1ip9 h GLN 69 Ca -0.19 -0.08 -0.08 0.00 -1.45 0.00 0.00 58.65 56.86 1ip9 h GLN 69 Cb 1.80 -0.09 0.01 0.00 -0.05 0.00 0.00 27.48 29.15 1ip9 h GLN 69 CO 0.18 0.48 -0.30 0.28 -0.95 0.00 0.00 178.83 178.53 1ip9 h VAL 70 N 0.52 1.54 0.00 -0.54 2.07 -1.47 -1.24 116.25 117.13 1ip9 h VAL 70 Ca 0.12 -2.00 0.00 0.00 0.82 0.00 0.00 66.70 65.64 1ip9 h VAL 70 Cb 0.20 2.79 0.00 0.00 -1.52 0.00 0.00 31.29 32.76 1ip9 h VAL 70 CO -0.00 0.55 0.00 0.28 0.02 0.00 0.00 177.57 178.42 1ip9 h SER 71 N -0.48 0.00 0.05 0.57 0.02 -0.98 0.32 113.55 113.06 1ip9 h SER 71 Ca -0.04 0.00 -0.16 0.00 -0.84 0.00 0.00 61.79 60.75 1ip9 h SER 71 Cb 1.06 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.60 1ip9 h SER 71 CO 0.06 0.00 -0.82 -1.13 -1.14 0.00 0.00 176.83 173.80 1ip9 h ASN 72 N 0.00 0.17 0.18 3.07 -1.24 -0.60 -1.54 115.58 115.62 1ip9 h ASN 72 Ca 0.00 -0.83 0.00 0.00 0.71 0.00 0.00 56.30 56.18 1ip9 h ASN 72 Cb 0.18 -0.05 0.00 0.00 0.73 0.00 0.00 38.32 39.18 1ip9 h ASN 72 CO 0.00 1.35 0.00 0.40 -1.29 0.00 0.00 177.43 177.89 1ip9 h ILE 73 N -0.72 0.00 0.02 2.57 5.03 -0.31 0.97 117.51 125.06 1ip9 h ILE 73 Ca -0.19 -0.08 -0.00 0.00 -0.12 0.00 0.00 64.86 64.46 1ip9 h ILE 73 Cb 1.37 0.94 0.00 0.00 -3.03 0.00 0.00 36.82 36.10 1ip9 h ILE 73 CO -0.02 0.00 -0.01 0.40 -0.68 0.00 0.00 178.15 177.84 1ip9 h ILE 74 N 0.00 1.42 0.00 -0.67 2.04 -0.28 0.85 117.51 120.87 1ip9 h ILE 74 Ca 0.00 -1.86 0.00 0.00 1.00 0.00 0.00 64.86 64.00 1ip9 h ILE 74 Cb 0.09 2.59 0.00 0.00 -0.74 0.00 0.00 36.82 38.77 1ip9 h ILE 74 CO 0.00 0.45 0.00 1.56 0.00 0.00 0.00 178.15 180.16 1ip9 h GLN 75 N -0.90 0.00 -0.01 2.37 4.20 -0.50 -3.02 115.11 117.26 1ip9 h GLN 75 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1ip9 h GLN 75 Cb 0.75 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.53 1ip9 h GLN 75 CO 0.00 0.00 -0.05 0.00 -0.67 0.00 0.00 178.83 178.11 1ip9 n ALA 76 N -1.86 2.53 -3.52 3.87 0.00 0.26 -5.04 120.51 116.75 1ip9 n ALA 76 Ca 0.03 -0.46 -0.32 0.00 0.00 0.00 0.00 53.44 52.69 1ip9 n ALA 76 Cb 0.34 -0.20 0.03 0.00 0.00 0.00 0.00 19.45 19.62 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 -1.85 -3.81 0.00 0.00 0.28 -4.92 118.16 107.89 1ip9 n LYS 77 Ca 0.03 1.30 -0.37 0.00 0.00 0.00 0.00 58.31 59.28 1ip9 n LYS 77 Cb 0.13 -2.50 -0.07 0.00 0.00 0.00 0.00 35.03 32.60 1ip9 n LYS 77 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 1ip9 s LEU 78 N -3.20 4.34 0.14 3.14 2.01 -0.59 -5.01 118.68 119.52 1ip9 s LEU 78 Ca 0.26 0.43 -0.31 0.00 0.01 0.00 0.00 54.13 54.52 1ip9 s LEU 78 Cb -0.03 -2.11 -0.09 0.00 0.01 0.00 0.00 46.19 43.97 1ip9 s LEU 78 CO 0.87 0.34 1.51 -0.54 1.01 0.00 0.00 176.35 179.54 1ip9 s LYS 79 N -0.62 4.25 0.11 1.70 3.01 -1.26 -4.56 119.74 122.37 1ip9 s LYS 79 Ca 0.14 2.26 0.03 0.00 -1.01 0.00 0.00 55.97 57.39 1ip9 s LYS 79 Cb -0.12 -3.22 -0.04 0.00 -1.01 0.00 0.00 37.83 33.45 1ip9 s LYS 79 CO 0.03 -0.56 0.17 0.42 0.51 0.00 0.00 175.35 175.92 1ip9 s ILE 80 N 1.24 4.93 -0.05 2.17 -1.09 -0.24 0.27 121.20 128.41 1ip9 s ILE 80 Ca 0.68 -0.73 0.05 0.00 -2.23 0.00 0.00 60.65 58.43 1ip9 s ILE 80 Cb -0.41 -3.46 -0.02 0.00 -1.58 0.00 0.00 42.46 36.99 1ip9 s ILE 80 CO 0.31 0.02 -0.21 -0.55 -1.23 0.00 0.00 174.94 173.28 1ip9 s SER 81 N -2.79 3.43 -0.10 3.58 0.15 -0.39 0.26 113.70 117.84 1ip9 s SER 81 Ca 0.32 -0.39 0.02 0.00 0.70 0.00 0.00 55.95 56.60 1ip9 s SER 81 Cb -0.12 -0.79 -0.02 0.00 -1.71 0.00 0.00 66.02 63.39 1ip9 s SER 81 CO 0.25 0.29 -0.15 -0.69 1.20 0.00 0.00 173.24 174.14 1ip9 s VAL 82 N -0.39 2.96 0.37 4.45 1.01 -0.71 -1.56 120.40 126.53 1ip9 s VAL 82 Ca 0.03 -0.72 0.08 0.00 0.00 0.00 0.00 61.98 61.38 1ip9 s VAL 82 Cb -0.12 -2.20 -0.07 0.00 0.00 0.00 0.00 36.38 33.98 1ip9 s VAL 82 CO 0.02 0.55 -0.04 -1.00 0.00 0.00 0.00 175.10 174.62 1ip9 s HIS 83 N -0.01 2.44 -0.21 5.22 3.76 -0.14 -2.55 115.29 123.81 1ip9 s HIS 83 Ca -0.04 -0.59 -0.11 0.00 -0.15 0.00 0.00 55.06 54.17 1ip9 s HIS 83 Cb -0.14 -1.57 -0.05 0.00 1.11 0.00 0.00 32.58 31.93 1ip9 s HIS 83 CO 0.04 0.51 0.17 -0.51 -0.85 0.00 0.00 174.74 174.10 1ip9 s ASP 84 N -3.65 6.21 0.00 1.40 1.01 -1.26 -1.34 116.67 119.04 1ip9 s ASP 84 Ca 0.34 0.23 0.00 0.00 0.71 0.00 0.00 52.55 53.83 1ip9 s ASP 84 Cb 0.06 -2.11 0.00 0.00 1.01 0.00 0.00 42.92 41.88 1ip9 s ASP 84 CO 0.17 0.12 0.00 2.30 0.21 0.00 0.00 175.17 177.97