#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 -0.32 0.00 4.61 0.00 -1.26 -4.01 120.51 119.53 1ip9 n ALA 2 Ca 0.00 0.23 0.00 0.00 0.00 0.00 0.00 53.44 53.67 1ip9 n ALA 2 Cb 0.00 -1.63 0.00 0.00 0.00 0.00 0.00 19.45 17.82 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 -2.18 0.00 0.00 0.00 0.00 -1.26 -5.10 117.12 108.58 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 0.53 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.75 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 0.00 0.41 3.71 -5.12 0.00 -1.26 -5.11 105.19 97.82 1ip9 n GLY 4 Ca 0.00 0.14 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 1ip9 n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1ip9 s SER 5 N 0.00 7.02 0.60 1.61 0.15 -1.26 -4.86 113.70 116.95 1ip9 s SER 5 Ca 0.00 2.03 -0.00 0.00 0.70 0.00 0.00 55.95 58.67 1ip9 s SER 5 Cb 0.00 -2.57 0.00 0.00 -1.71 0.00 0.00 66.02 61.74 1ip9 s SER 5 CO 0.00 -0.54 0.02 -1.20 1.20 0.00 0.00 173.24 172.72 1ip9 n SER 6 N 4.30 0.02 -3.59 5.45 7.64 -1.26 -4.93 113.62 121.25 1ip9 n SER 6 Ca 0.10 -1.02 -0.02 0.00 1.01 0.00 0.00 58.87 58.95 1ip9 n SER 6 Cb 0.46 -0.01 -0.05 0.00 -1.01 0.00 0.00 64.21 63.60 1ip9 n SER 6 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1ip9 s THR 7 N -0.24 -0.94 -0.23 0.44 2.01 -1.26 -5.14 115.64 110.29 1ip9 s THR 7 Ca 0.01 0.03 -0.04 0.00 0.31 0.00 0.00 61.69 62.00 1ip9 s THR 7 Cb -0.00 -0.94 -0.00 0.00 0.01 0.00 0.00 72.50 71.57 1ip9 s THR 7 CO 0.01 0.01 -0.04 -0.94 -0.69 0.00 0.00 174.62 172.96 1ip9 s SER 8 N 2.84 4.30 0.00 3.53 1.04 -1.26 -4.83 113.70 119.32 1ip9 s SER 8 Ca -0.02 -0.50 0.00 0.00 0.48 0.00 0.00 55.95 55.91 1ip9 s SER 8 Cb -0.12 -1.73 0.00 0.00 0.10 0.00 0.00 66.02 64.27 1ip9 s SER 8 CO -0.18 -0.05 0.00 0.61 0.98 0.00 0.00 173.24 174.60 1ip9 n GLY 9 N 4.78 0.75 3.87 7.32 0.00 -1.26 -5.10 105.19 115.55 1ip9 n GLY 9 Ca -0.18 -0.20 -0.31 0.00 0.00 0.00 0.00 46.02 45.33 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 3.74 -0.17 0.99 2.01 -1.26 -5.08 118.68 118.91 1ip9 s LEU 10 Ca 0.00 1.25 -0.08 0.00 0.01 0.00 0.00 54.13 55.31 1ip9 s LEU 10 Cb 0.00 -4.16 0.06 0.00 0.01 0.00 0.00 46.19 42.10 1ip9 s LEU 10 CO 0.00 -0.48 0.39 -0.75 1.01 0.00 0.00 176.35 176.53 1ip9 s LYS 11 N -4.00 0.36 -0.32 1.70 2.36 -1.26 -5.03 119.74 113.56 1ip9 s LYS 11 Ca 0.53 0.81 -0.25 0.00 -2.55 0.00 0.00 55.97 54.51 1ip9 s LYS 11 Cb -0.10 0.02 0.01 0.00 -1.05 0.00 0.00 37.83 36.70 1ip9 s LYS 11 CO 0.33 -0.18 0.85 0.95 1.55 0.00 0.00 175.35 178.85 1ip9 s THR 12 N 1.61 4.72 -0.08 3.43 -4.23 -1.25 -4.28 115.64 115.56 1ip9 s THR 12 Ca -0.08 1.27 -0.30 0.00 -1.18 0.00 0.00 61.69 61.40 1ip9 s THR 12 Cb -0.09 -4.21 -0.02 0.00 1.34 0.00 0.00 72.50 69.51 1ip9 s THR 12 CO -0.12 -0.32 1.08 -0.89 -0.54 0.00 0.00 174.62 173.83 1ip9 s THR 13 N 3.13 4.58 -0.31 3.99 2.01 -0.52 -4.68 115.64 123.83 1ip9 s THR 13 Ca 0.35 1.87 -0.26 0.00 0.31 0.00 0.00 61.69 63.96 1ip9 s THR 13 Cb -0.14 -4.20 0.01 0.00 0.01 0.00 0.00 72.50 68.18 1ip9 s THR 13 CO 0.14 0.00 0.92 -0.75 -0.69 0.00 0.00 174.62 174.24 1ip9 s LYS 14 N 2.07 4.01 -0.11 4.92 2.20 -1.26 -2.61 119.74 128.95 1ip9 s LYS 14 Ca 0.51 0.82 0.01 0.00 -0.36 0.00 0.00 55.97 56.95 1ip9 s LYS 14 Cb -0.21 -3.73 0.02 0.00 -1.51 0.00 0.00 37.83 32.40 1ip9 s LYS 14 CO 0.20 -0.77 -0.13 0.42 -0.36 0.00 0.00 175.35 174.70 1ip9 s ILE 15 N 3.26 1.37 -0.33 5.43 1.01 -0.77 -4.79 121.20 126.39 1ip9 s ILE 15 Ca 0.38 -0.55 -0.14 0.00 0.00 0.00 0.00 60.65 60.34 1ip9 s ILE 15 Cb -0.13 -1.29 -0.02 0.00 0.01 0.00 0.00 42.46 41.03 1ip9 s ILE 15 CO 0.13 0.42 0.33 -0.54 0.00 0.00 0.00 174.94 175.29 1ip9 s LYS 16 N 1.22 3.63 0.80 2.79 -0.14 -1.26 -0.92 119.74 125.86 1ip9 s LYS 16 Ca -0.02 -0.39 -0.10 0.00 -1.36 0.00 0.00 55.97 54.10 1ip9 s LYS 16 Cb -0.14 -3.78 0.10 0.00 -1.68 0.00 0.00 37.83 32.34 1ip9 s LYS 16 CO -0.05 -0.46 1.13 -0.06 -0.76 0.00 0.00 175.35 175.16 1ip9 s PHE 17 N 1.96 2.53 -0.42 3.18 0.40 -0.15 -0.90 117.98 124.58 1ip9 s PHE 17 Ca 0.11 0.45 0.08 0.00 -0.60 0.00 0.00 56.93 56.97 1ip9 s PHE 17 Cb -0.17 -3.48 0.25 0.00 0.51 0.00 0.00 43.02 40.14 1ip9 s PHE 17 CO 0.11 -1.82 0.55 0.66 0.70 0.00 0.00 175.22 175.42 1ip9 n TYR 18 N -3.23 0.10 -2.22 0.36 4.02 0.69 -3.11 117.16 113.77 1ip9 n TYR 18 Ca 0.10 -3.63 -0.42 0.00 -0.01 0.00 0.00 57.90 53.94 1ip9 n TYR 18 Cb 0.60 -0.38 -0.03 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 -1.36 2.11 0.00 -0.72 5.04 -0.43 -1.59 117.35 120.39 1ip9 s TYR 19 Ca 0.36 0.62 0.00 0.00 -2.44 0.00 0.00 57.07 55.61 1ip9 s TYR 19 Cb 0.17 -4.25 0.00 0.00 0.35 0.00 0.00 41.96 38.23 1ip9 s TYR 19 CO -0.10 -2.28 0.00 1.63 -1.34 0.00 0.00 175.55 173.46 1ip9 n LYS 20 N 8.48 0.00 0.00 4.97 5.02 -0.98 -0.94 118.16 134.71 1ip9 n LYS 20 Ca 0.18 0.00 0.15 0.00 -2.02 0.00 0.00 58.31 56.62 1ip9 n LYS 20 Cb 0.49 0.00 0.77 0.00 -0.02 0.00 0.00 35.03 36.27 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 0.02 0.00 -4.95 4.39 9.92 -1.26 -4.81 116.55 119.86 1ip9 n ASP 21 Ca 0.00 -0.20 -0.23 0.00 -0.53 0.00 0.00 54.79 53.84 1ip9 n ASP 21 Cb 0.00 -0.27 -0.01 0.00 -0.64 0.00 0.00 41.12 40.20 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 -2.54 6.26 -0.01 -2.24 1.01 -0.12 -5.11 116.67 113.92 1ip9 s ASP 22 Ca 0.30 0.31 -0.07 0.00 0.71 0.00 0.00 52.55 53.81 1ip9 s ASP 22 Cb 0.20 -1.92 0.00 0.00 1.01 0.00 0.00 42.92 42.22 1ip9 s ASP 22 CO 0.46 -0.27 0.13 -0.63 0.21 0.00 0.00 175.17 175.07 1ip9 s ILE 23 N -2.24 0.07 0.00 0.77 1.01 -1.26 -1.32 121.20 118.23 1ip9 s ILE 23 Ca 0.39 -0.58 0.00 0.00 0.00 0.00 0.00 60.65 60.47 1ip9 s ILE 23 Cb -0.09 -0.39 0.00 0.00 0.01 0.00 0.00 42.46 41.99 1ip9 s ILE 23 CO 0.34 -0.32 0.00 2.22 0.00 0.00 0.00 174.94 177.18 1ip9 n PHE 24 N 1.74 0.00 -4.03 3.97 -1.74 -1.18 -4.94 117.46 111.28 1ip9 n PHE 24 Ca -0.21 0.00 -0.08 0.00 -0.56 0.00 0.00 57.45 56.60 1ip9 n PHE 24 Cb 0.56 0.00 -0.09 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 -2.00 0.35 -0.01 1.98 0.00 -1.26 -0.98 121.76 119.84 1ip9 s ALA 25 Ca 0.00 -1.09 -0.02 0.00 0.00 0.00 0.00 51.96 50.85 1ip9 s ALA 25 Cb 0.00 0.56 0.00 0.00 0.00 0.00 0.00 23.12 23.68 1ip9 s ALA 25 CO 0.00 -0.47 0.05 -1.17 0.00 0.00 0.00 175.76 174.16 1ip9 s LEU 26 N -2.95 1.84 -0.32 0.00 1.98 -0.10 -4.93 118.68 114.21 1ip9 s LEU 26 Ca 0.12 -0.00 -0.00 0.00 -2.89 0.00 0.00 54.13 51.36 1ip9 s LEU 26 Cb 0.06 0.21 0.07 0.00 0.66 0.00 0.00 46.19 47.19 1ip9 s LEU 26 CO -0.06 -0.08 0.03 -0.04 -1.89 0.00 0.00 176.35 174.30 1ip9 s MET 27 N -0.29 2.20 -0.28 1.98 -1.94 -1.26 -1.86 119.30 117.86 1ip9 s MET 27 Ca -0.03 -1.46 -0.19 0.00 -1.71 0.00 0.00 55.69 52.30 1ip9 s MET 27 Cb -0.02 -3.21 -0.02 0.00 2.01 0.00 0.00 34.83 33.59 1ip9 s MET 27 CO 0.00 -0.73 0.55 -0.51 -0.01 0.00 0.00 175.02 174.31 1ip9 s LEU 28 N 1.16 4.11 0.00 -0.03 2.01 -1.07 -4.74 118.68 120.11 1ip9 s LEU 28 Ca -0.01 0.45 0.23 0.00 0.01 0.00 0.00 54.13 54.81 1ip9 s LEU 28 Cb -0.20 -2.70 1.40 0.00 0.01 0.00 0.00 46.19 44.70 1ip9 s LEU 28 CO -0.03 -0.36 1.77 0.29 1.01 0.00 0.00 176.35 179.04 1ip9 n LYS 29 N 5.65 0.76 0.00 1.70 5.02 -1.26 -1.43 118.16 128.59 1ip9 n LYS 29 Ca -0.03 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.26 1ip9 n LYS 29 Cb 0.49 -1.48 0.00 0.00 -0.02 0.00 0.00 35.03 34.02 1ip9 n LYS 29 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1ip9 n GLY 30 N 0.51 2.40 0.00 0.72 0.00 -1.26 -4.20 105.19 103.35 1ip9 n GLY 30 Ca 0.18 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.30 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 0.86 -4.57 1.61 5.68 -1.26 -4.97 116.55 113.90 1ip9 n ASP 31 Ca 0.00 -0.85 -0.45 0.00 -0.50 0.00 0.00 54.79 52.99 1ip9 n ASP 31 Cb 0.00 1.10 -0.01 0.00 -1.14 0.00 0.00 41.12 41.06 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 -1.60 2.01 -3.96 2.12 -1.04 -1.26 -4.98 114.28 105.58 1ip9 n THR 32 Ca 0.03 -0.50 -0.13 0.00 -2.04 0.00 0.00 64.05 61.41 1ip9 n THR 32 Cb 0.36 -0.91 -0.01 0.00 -1.82 0.00 0.00 70.33 67.95 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 0.13 0.00 0.06 12.58 -2.24 -1.26 -4.72 114.28 118.83 1ip9 n THR 33 Ca 0.10 -1.05 -0.18 0.00 -2.27 0.00 0.00 64.05 60.65 1ip9 n THR 33 Cb 0.32 -0.07 -0.14 0.00 -2.10 0.00 0.00 70.33 68.33 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 0.80 0.51 0.00 4.78 3.20 -1.86 -2.00 116.97 122.40 1ip9 h TYR 34 Ca -0.18 -0.37 -0.04 0.00 3.14 0.00 0.00 58.73 61.29 1ip9 h TYR 34 Cb 0.59 -0.02 -0.01 0.00 1.54 0.00 0.00 36.73 38.83 1ip9 h TYR 34 CO 0.00 1.45 -0.18 0.87 -1.64 0.00 0.00 178.16 178.66 1ip9 h LYS 35 N 0.08 0.00 0.32 1.82 1.57 -1.95 -1.08 116.57 117.33 1ip9 h LYS 35 Ca -0.27 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.49 1ip9 h LYS 35 Cb 2.04 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.35 1ip9 h LYS 35 CO 0.16 0.18 -0.15 0.93 -0.57 0.00 0.00 179.45 180.00 1ip9 h GLU 36 N 0.00 -0.42 -1.15 3.15 3.07 -1.95 -2.97 114.58 114.32 1ip9 h GLU 36 Ca -0.00 0.03 0.32 0.00 -0.50 0.00 0.00 59.36 59.21 1ip9 h GLU 36 Cb 0.84 0.09 -0.09 0.00 -0.84 0.00 0.00 28.75 28.76 1ip9 h GLU 36 CO 0.02 -0.27 0.76 1.25 -1.40 0.00 0.00 179.01 179.37 1ip9 h LEU 37 N -1.11 0.29 -0.21 1.33 5.85 -1.32 0.21 115.31 120.35 1ip9 h LEU 37 Ca -0.04 0.07 0.06 0.00 0.84 0.00 0.00 57.88 58.80 1ip9 h LEU 37 Cb 0.34 0.03 -0.06 0.00 0.37 0.00 0.00 40.66 41.34 1ip9 h LEU 37 CO 0.07 0.01 -0.20 0.03 -0.34 0.00 0.00 178.44 178.02 1ip9 h ARG 38 N 0.23 -0.21 0.00 1.25 3.08 -1.04 0.30 114.38 117.99 1ip9 h ARG 38 Ca 0.64 0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.70 1ip9 h ARG 38 Cb 1.94 0.05 0.00 0.00 0.08 0.00 0.00 29.97 32.03 1ip9 h ARG 38 CO -0.24 -0.14 0.00 0.77 -1.07 0.00 0.00 179.97 179.29 1ip9 h SER 39 N -0.21 0.00 0.77 7.04 0.02 -0.51 -1.55 113.55 119.11 1ip9 h SER 39 Ca 0.12 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.07 1ip9 h SER 39 Cb 0.40 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.94 1ip9 h SER 39 CO -0.33 0.00 -0.55 0.29 -1.14 0.00 0.00 176.83 175.10 1ip9 n LYS 40 N -2.34 0.19 -0.08 3.45 5.02 -0.02 -4.10 118.16 120.29 1ip9 n LYS 40 Ca 0.04 0.06 -0.10 0.00 -2.02 0.00 0.00 58.31 56.29 1ip9 n LYS 40 Cb 0.38 -1.62 -0.10 0.00 -0.02 0.00 0.00 35.03 33.67 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 -1.90 1.01 -0.26 -0.18 5.41 0.84 -4.34 119.36 119.94 1ip9 n ILE 41 Ca 0.04 -0.49 0.05 0.00 1.00 0.00 0.00 62.75 63.35 1ip9 n ILE 41 Cb 0.40 -0.92 0.15 0.00 -0.71 0.00 0.00 39.64 38.57 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 0.30 0.76 0.00 -1.39 0.00 -1.43 0.55 119.26 118.05 1ip9 h ALA 42 Ca -0.40 0.24 -0.08 0.00 0.00 0.00 0.00 54.91 54.68 1ip9 h ALA 42 Cb 1.73 0.43 -0.01 0.00 0.00 0.00 0.00 17.79 19.94 1ip9 h ALA 42 CO -0.03 -0.42 -0.39 -1.00 0.00 0.00 0.00 179.25 177.41 1ip9 h PRO 43 N 0.09 0.00 -0.01 0.00 0.13 -1.78 -1.20 132.00 129.24 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 0.71 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.84 1ip9 h PRO 43 CO -0.67 0.39 -0.14 0.54 -0.23 0.00 0.00 178.00 177.88 1ip9 n ARG 44 N -3.59 1.02 -0.08 0.86 5.12 0.13 -3.84 116.66 116.27 1ip9 n ARG 44 Ca -0.00 -0.52 -0.09 0.00 -1.93 0.00 0.00 57.85 55.30 1ip9 n ARG 44 Cb 0.50 -1.49 -0.12 0.00 -1.16 0.00 0.00 32.46 30.19 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 -0.54 1.13 -0.47 0.55 5.41 0.15 -4.98 119.36 120.61 1ip9 n ILE 45 Ca 0.15 -0.65 0.00 0.00 1.00 0.00 0.00 62.75 63.25 1ip9 n ILE 45 Cb 0.32 -0.69 0.00 0.00 -0.71 0.00 0.00 39.64 38.56 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 -1.06 -3.53 4.38 8.00 -0.51 -5.03 116.55 116.11 1ip9 n ASP 46 Ca -0.29 0.00 -0.16 0.00 0.71 0.00 0.00 54.79 55.05 1ip9 n ASP 46 Cb 1.00 -0.18 -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 -2.23 0.00 -0.59 -3.53 -1.32 -1.14 -5.05 115.64 101.78 1ip9 s THR 47 Ca 0.00 -1.86 0.08 0.00 -1.21 0.00 0.00 61.69 58.70 1ip9 s THR 47 Cb 0.00 -2.52 -0.04 0.00 -1.51 0.00 0.00 72.50 68.42 1ip9 s THR 47 CO 0.00 0.00 0.47 -0.90 -2.21 0.00 0.00 174.62 171.98 1ip9 n ASP 48 N -1.20 0.77 -4.06 8.08 5.75 -1.26 -4.45 116.55 120.18 1ip9 n ASP 48 Ca 0.04 -0.88 -0.32 0.00 -0.01 0.00 0.00 54.79 53.62 1ip9 n ASP 48 Cb 0.63 0.72 -0.16 0.00 -1.03 0.00 0.00 41.12 41.28 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 -1.48 3.28 -0.00 -1.12 0.02 -1.26 -4.97 114.94 109.41 1ip9 s ASN 49 Ca 0.05 -0.78 -0.17 0.00 -1.02 0.00 0.00 52.86 50.94 1ip9 s ASN 49 Cb 0.06 -1.37 0.03 0.00 0.02 0.00 0.00 41.25 40.00 1ip9 s ASN 49 CO 0.27 -0.07 0.38 0.72 0.02 0.00 0.00 177.10 178.41 1ip9 s PHE 50 N 1.33 -0.25 -0.23 2.20 -0.71 -1.26 -1.74 117.98 117.32 1ip9 s PHE 50 Ca 0.02 0.34 -0.09 0.00 -1.04 0.00 0.00 56.93 56.15 1ip9 s PHE 50 Cb -0.15 0.16 -0.04 0.00 -1.21 0.00 0.00 43.02 41.78 1ip9 s PHE 50 CO -0.10 -0.47 0.13 0.15 -1.34 0.00 0.00 175.22 173.59 1ip9 s LYS 51 N -1.67 3.97 -0.17 1.99 1.02 -0.54 -4.86 119.74 119.48 1ip9 s LYS 51 Ca -0.11 -0.33 -0.06 0.00 0.02 0.00 0.00 55.97 55.50 1ip9 s LYS 51 Cb -0.03 -3.44 -0.04 0.00 -0.52 0.00 0.00 37.83 33.80 1ip9 s LYS 51 CO 0.03 0.05 0.04 -0.51 -0.92 0.00 0.00 175.35 174.03 1ip9 s LEU 52 N 1.06 3.70 0.31 3.17 1.43 -1.26 -1.46 118.68 125.63 1ip9 s LEU 52 Ca 0.06 0.05 0.03 0.00 -1.03 0.00 0.00 54.13 53.24 1ip9 s LEU 52 Cb -0.14 -1.92 -0.05 0.00 0.03 0.00 0.00 46.19 44.11 1ip9 s LEU 52 CO 0.04 0.20 0.09 -1.10 0.23 0.00 0.00 176.35 175.80 1ip9 s GLN 53 N 0.23 1.59 -1.08 1.70 1.11 -0.66 -0.41 119.66 122.14 1ip9 s GLN 53 Ca 0.02 -1.89 -0.19 0.00 0.01 0.00 0.00 55.36 53.32 1ip9 s GLN 53 Cb -0.13 -0.56 0.11 0.00 -1.01 0.00 0.00 33.01 31.42 1ip9 s GLN 53 CO 0.01 -0.28 1.40 0.95 0.01 0.00 0.00 175.29 177.38 1ip9 s THR 54 N -3.48 4.45 -0.61 -0.19 -4.23 -1.18 -1.51 115.64 108.89 1ip9 s THR 54 Ca 0.35 -1.64 -0.15 0.00 -1.18 0.00 0.00 61.69 59.07 1ip9 s THR 54 Cb 0.07 -4.97 -0.15 0.00 1.34 0.00 0.00 72.50 68.79 1ip9 s THR 54 CO 0.15 -1.75 1.56 1.17 -0.54 0.00 0.00 174.62 175.21 1ip9 n LYS 55 N 7.37 0.00 0.00 3.99 0.00 0.73 -2.35 118.16 127.89 1ip9 n LYS 55 Ca 0.34 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.65 1ip9 n LYS 55 Cb 0.48 -0.84 0.00 0.00 0.00 0.00 0.00 35.03 34.67 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 5.61 0.00 0.00 3.14 4.77 -1.26 -4.44 117.00 124.82 1ip9 n LEU 56 Ca 0.41 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.39 1ip9 n LEU 56 Cb 0.04 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.13 1ip9 n LEU 56 CO 0.60 0.00 0.00 0.33 -1.33 0.00 0.00 177.39 176.99 1ip9 n PHE 57 N 0.00 0.00 -0.00 -1.77 7.35 -1.26 -4.94 117.46 116.84 1ip9 n PHE 57 Ca 0.00 0.00 -0.08 0.00 -0.76 0.00 0.00 57.45 56.61 1ip9 n PHE 57 Cb 0.00 0.00 -0.13 0.00 0.35 0.00 0.00 39.48 39.70 1ip9 n PHE 57 CO 0.00 0.00 0.00 0.38 -0.76 0.00 0.00 176.76 176.38 1ip9 h ASP 58 N 0.00 0.00 0.00 -2.13 2.03 -1.99 -3.48 116.42 110.85 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 0.98 0.00 0.61 -1.03 0.00 0.00 179.24 179.80 1ip9 n GLY 59 N 1.50 -1.91 3.46 7.15 0.00 -1.26 -5.17 105.19 108.96 1ip9 n GLY 59 Ca -0.13 0.62 -0.10 0.00 0.00 0.00 0.00 46.02 46.40 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 0.02 0.00 1.61 1.04 -1.26 -4.41 113.70 112.70 1ip9 s SER 60 Ca 0.00 -1.10 0.00 0.00 0.48 0.00 0.00 55.95 55.33 1ip9 s SER 60 Cb 0.00 0.52 0.00 0.00 0.10 0.00 0.00 66.02 66.64 1ip9 s SER 60 CO 0.00 -1.05 0.00 0.61 0.98 0.00 0.00 173.24 173.78 1ip9 n GLY 61 N -0.35 4.43 3.61 7.32 0.00 -0.99 -4.57 105.19 114.63 1ip9 n GLY 61 Ca -0.00 -1.80 -0.45 0.00 0.00 0.00 0.00 46.02 43.77 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 2.11 -1.55 1.61 1.02 -1.26 -4.17 120.64 118.39 1ip9 n GLU 62 Ca 0.00 0.68 -0.18 0.00 -0.02 0.00 0.00 57.16 57.63 1ip9 n GLU 62 Cb 0.00 -2.97 -0.08 0.00 -0.02 0.00 0.00 31.44 28.37 1ip9 n GLU 62 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 1ip9 n GLU 63 N 8.01 0.60 -1.70 3.49 2.13 -1.26 -3.08 120.64 128.83 1ip9 n GLU 63 Ca 0.28 -0.63 -0.64 0.00 0.66 0.00 0.00 57.16 56.83 1ip9 n GLU 63 Cb 0.38 -3.42 -0.09 0.00 0.27 0.00 0.00 31.44 28.58 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 8.40 0.05 -1.81 6.31 -0.00 0.45 -4.76 119.36 128.00 1ip9 n ILE 64 Ca 0.47 -0.01 0.00 0.00 -0.00 0.00 0.00 62.75 63.21 1ip9 n ILE 64 Cb 0.42 -0.55 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 3.77 0.00 -3.78 0.38 5.02 -1.26 -4.54 118.16 117.75 1ip9 n LYS 65 Ca 0.28 -0.33 -0.13 0.00 -2.02 0.00 0.00 58.31 56.12 1ip9 n LYS 65 Cb 0.00 -0.21 -0.09 0.00 -0.02 0.00 0.00 35.03 34.71 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 0.05 0.63 -0.18 -4.23 -1.26 -5.00 115.64 105.65 1ip9 s THR 66 Ca 0.00 -0.43 0.23 0.00 -1.18 0.00 0.00 61.69 60.31 1ip9 s THR 66 Cb 0.00 -0.56 0.29 0.00 1.34 0.00 0.00 72.50 73.57 1ip9 s THR 66 CO 0.00 -0.24 1.58 0.44 -0.54 0.00 0.00 174.62 175.86 1ip9 h ASP 67 N 4.18 0.00 0.21 3.99 3.32 -1.96 0.34 116.42 126.51 1ip9 h ASP 67 Ca -0.29 0.00 -0.28 0.00 0.02 0.00 0.00 57.03 56.48 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 0.39 0.00 -1.25 -1.28 -1.72 0.00 0.00 179.24 175.38 1ip9 h SER 68 N 0.00 0.69 -0.42 6.45 0.87 -1.97 -1.95 113.55 117.21 1ip9 h SER 68 Ca 0.20 -0.93 -0.02 0.00 -1.23 0.00 0.00 61.79 59.80 1ip9 h SER 68 Cb 1.67 -0.22 -0.02 0.00 -0.44 0.00 0.00 62.40 63.38 1ip9 h SER 68 CO -0.00 1.60 0.20 1.56 -0.53 0.00 0.00 176.83 179.66 1ip9 h GLN 69 N -0.06 0.66 0.01 2.24 1.08 -0.72 0.12 115.11 118.44 1ip9 h GLN 69 Ca -0.22 -0.09 -0.00 0.00 -1.45 0.00 0.00 58.65 56.89 1ip9 h GLN 69 Cb 1.96 -0.13 0.00 0.00 -0.05 0.00 0.00 27.48 29.27 1ip9 h GLN 69 CO 0.22 0.54 -0.00 0.28 -0.95 0.00 0.00 178.83 178.91 1ip9 h VAL 70 N 0.66 1.55 0.00 -0.54 2.07 -1.50 -0.91 116.25 117.58 1ip9 h VAL 70 Ca 0.16 -1.72 0.00 0.00 0.82 0.00 0.00 66.70 65.96 1ip9 h VAL 70 Cb 0.11 2.70 0.00 0.00 -1.52 0.00 0.00 31.29 32.59 1ip9 h VAL 70 CO -0.02 0.44 0.00 -1.28 0.02 0.00 0.00 177.57 176.73 1ip9 h SER 71 N -0.75 0.00 0.05 0.57 0.87 -1.13 0.48 113.55 113.64 1ip9 h SER 71 Ca -0.00 0.00 -0.10 0.00 -1.23 0.00 0.00 61.79 60.45 1ip9 h SER 71 Cb 0.73 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.69 1ip9 h SER 71 CO 0.00 0.00 -0.50 -1.13 -0.53 0.00 0.00 176.83 174.67 1ip9 h ASN 72 N 0.00 0.17 0.41 6.23 -1.24 -0.60 -0.46 115.58 120.09 1ip9 h ASN 72 Ca 0.00 -0.92 0.00 0.00 0.71 0.00 0.00 56.30 56.09 1ip9 h ASN 72 Cb 0.06 -0.06 0.00 0.00 0.73 0.00 0.00 38.32 39.06 1ip9 h ASN 72 CO 0.00 1.22 0.00 -0.38 -1.29 0.00 0.00 177.43 176.98 1ip9 n ILE 73 N -4.39 0.95 0.03 2.57 -0.00 -0.36 -0.78 119.36 117.38 1ip9 n ILE 73 Ca -0.15 0.44 -0.22 0.00 -0.00 0.00 0.00 62.75 62.82 1ip9 n ILE 73 Cb 0.64 -1.40 -0.14 0.00 -0.00 0.00 0.00 39.64 38.74 1ip9 n ILE 73 CO 0.00 0.00 0.00 0.40 -0.00 0.00 0.00 176.55 176.95 1ip9 h ILE 74 N 0.00 1.08 0.00 1.39 2.04 0.03 0.32 117.51 122.37 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 0.21 2.79 0.00 0.00 -0.74 0.00 0.00 36.82 39.08 1ip9 h ILE 74 CO 0.00 0.74 -0.01 1.56 0.00 0.00 0.00 178.15 180.44 1ip9 h GLN 75 N -0.23 0.00 -0.01 2.37 4.20 -0.41 -3.23 115.11 117.81 1ip9 h GLN 75 Ca -0.29 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.42 1ip9 h GLN 75 Cb 1.82 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.60 1ip9 h GLN 75 CO 0.10 0.00 -0.00 0.00 -0.67 0.00 0.00 178.83 178.25 1ip9 n ALA 76 N -1.99 2.49 -3.32 3.87 0.00 0.04 -5.05 120.51 116.55 1ip9 n ALA 76 Ca 0.05 -0.53 -0.24 0.00 0.00 0.00 0.00 53.44 52.71 1ip9 n ALA 76 Cb 0.50 -0.16 0.02 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 0.23 -1.64 -4.19 0.00 4.81 0.10 -4.93 118.16 112.55 1ip9 n LYS 77 Ca 0.03 1.40 -0.35 0.00 -0.87 0.00 0.00 58.31 58.52 1ip9 n LYS 77 Cb 0.12 -2.31 -0.09 0.00 0.02 0.00 0.00 35.03 32.76 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 -2.06 3.73 0.18 3.14 2.01 -0.68 -5.00 118.68 119.99 1ip9 s LEU 78 Ca 0.26 0.14 -0.31 0.00 0.01 0.00 0.00 54.13 54.23 1ip9 s LEU 78 Cb -0.03 -1.90 -0.09 0.00 0.01 0.00 0.00 46.19 44.18 1ip9 s LEU 78 CO 0.64 0.29 1.45 -0.54 1.01 0.00 0.00 176.35 179.21 1ip9 s LYS 79 N -0.36 4.28 0.10 1.70 1.02 -1.26 -4.55 119.74 120.66 1ip9 s LYS 79 Ca 0.08 2.24 0.02 0.00 0.02 0.00 0.00 55.97 58.33 1ip9 s LYS 79 Cb -0.12 -3.17 -0.04 0.00 -0.52 0.00 0.00 37.83 33.98 1ip9 s LYS 79 CO 0.02 -0.47 0.18 0.42 -0.92 0.00 0.00 175.35 174.58 1ip9 s ILE 80 N 0.66 5.04 -0.10 2.17 -1.09 -0.08 0.26 121.20 128.06 1ip9 s ILE 80 Ca 0.64 -0.63 0.02 0.00 -2.23 0.00 0.00 60.65 58.45 1ip9 s ILE 80 Cb -0.41 -3.49 -0.01 0.00 -1.58 0.00 0.00 42.46 36.97 1ip9 s ILE 80 CO 0.35 0.06 -0.18 -0.44 -1.23 0.00 0.00 174.94 173.51 1ip9 s SER 81 N -2.69 3.63 -0.10 3.58 0.01 -0.57 0.25 113.70 117.80 1ip9 s SER 81 Ca 0.33 -0.41 0.01 0.00 1.31 0.00 0.00 55.95 57.19 1ip9 s SER 81 Cb -0.12 -1.38 -0.02 0.00 0.21 0.00 0.00 66.02 64.71 1ip9 s SER 81 CO 0.26 0.19 -0.11 -0.69 0.41 0.00 0.00 173.24 173.30 1ip9 s VAL 82 N 0.17 3.26 0.31 3.43 1.01 -0.62 -1.66 120.40 126.30 1ip9 s VAL 82 Ca -0.10 -0.61 0.10 0.00 0.00 0.00 0.00 61.98 61.37 1ip9 s VAL 82 Cb -0.16 -2.34 -0.06 0.00 0.00 0.00 0.00 36.38 33.82 1ip9 s VAL 82 CO 0.06 0.55 -0.14 -1.00 0.00 0.00 0.00 175.10 174.57 1ip9 s HIS 83 N -0.14 2.29 -0.13 5.22 3.76 -0.53 -2.32 115.29 123.45 1ip9 s HIS 83 Ca -0.00 -0.45 -0.15 0.00 -0.15 0.00 0.00 55.06 54.31 1ip9 s HIS 83 Cb -0.13 -1.18 -0.05 0.00 1.11 0.00 0.00 32.58 32.33 1ip9 s HIS 83 CO 0.03 0.60 0.35 -0.51 -0.85 0.00 0.00 174.74 174.37 1ip9 s ASP 84 N -3.54 6.55 0.00 1.40 1.11 -1.26 -1.47 116.67 119.46 1ip9 s ASP 84 Ca 0.31 0.65 0.00 0.00 0.18 0.00 0.00 52.55 53.69 1ip9 s ASP 84 Cb -0.01 -2.22 0.00 0.00 1.07 0.00 0.00 42.92 41.77 1ip9 s ASP 84 CO 0.15 0.11 0.00 2.30 1.18 0.00 0.00 175.17 178.91