#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 0.45 -1.55 4.61 0.00 -1.26 -4.73 120.51 118.04 1ip9 n ALA 2 Ca 0.00 -0.32 -0.06 0.00 0.00 0.00 0.00 53.44 53.06 1ip9 n ALA 2 Cb 0.00 -2.45 0.17 0.00 0.00 0.00 0.00 19.45 17.18 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 8.43 2.03 -1.57 0.00 0.00 -1.26 -4.74 117.12 120.02 1ip9 n MET 3 Ca 0.57 -3.34 -0.32 0.00 -0.00 0.00 0.00 57.70 54.61 1ip9 n MET 3 Cb 0.14 -1.86 0.01 0.00 0.00 0.00 0.00 33.22 31.50 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 -1.07 4.94 3.43 -5.12 0.00 -1.26 -4.99 105.19 101.12 1ip9 n GLY 4 Ca 0.33 -2.07 -0.30 0.00 0.00 0.00 0.00 46.02 43.98 1ip9 n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1ip9 n SER 5 N 0.08 -1.71 -3.62 1.61 2.88 -1.26 -5.04 113.62 106.55 1ip9 n SER 5 Ca 0.50 -0.05 -0.07 0.00 -1.33 0.00 0.00 58.87 57.93 1ip9 n SER 5 Cb 0.45 -1.20 -0.06 0.00 -0.75 0.00 0.00 64.21 62.65 1ip9 n SER 5 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1ip9 s SER 6 N -2.24 -0.26 -0.02 -3.46 0.01 -1.26 -5.07 113.70 101.39 1ip9 s SER 6 Ca 0.64 0.41 0.01 0.00 1.31 0.00 0.00 55.95 58.31 1ip9 s SER 6 Cb -0.21 0.38 0.03 0.00 0.21 0.00 0.00 66.02 66.43 1ip9 s SER 6 CO 0.65 -0.15 0.43 0.41 0.41 0.00 0.00 173.24 174.98 1ip9 n THR 7 N 1.32 0.00 -3.85 1.44 -1.04 -1.26 -5.14 114.28 105.75 1ip9 n THR 7 Ca -0.09 -0.07 -0.04 0.00 -2.04 0.00 0.00 64.05 61.80 1ip9 n THR 7 Cb 0.57 0.27 0.02 0.00 -1.82 0.00 0.00 70.33 69.37 1ip9 n THR 7 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 1ip9 s SER 8 N -0.31 -0.02 0.00 8.00 1.04 -1.26 -5.16 113.70 115.99 1ip9 s SER 8 Ca 0.01 -0.73 0.00 0.00 0.48 0.00 0.00 55.95 55.70 1ip9 s SER 8 Cb 0.03 0.57 0.00 0.00 0.10 0.00 0.00 66.02 66.72 1ip9 s SER 8 CO -0.01 -1.12 0.00 0.61 0.98 0.00 0.00 173.24 173.70 1ip9 n GLY 9 N -0.64 0.91 3.39 7.32 0.00 -1.26 -4.93 105.19 109.98 1ip9 n GLY 9 Ca -0.04 -1.91 -0.44 0.00 0.00 0.00 0.00 46.02 43.62 1ip9 n GLY 9 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1ip9 n LEU 10 N 0.00 5.41 -2.45 0.99 7.94 -1.26 -4.81 117.00 122.81 1ip9 n LEU 10 Ca 0.00 -4.76 -0.02 0.00 -1.11 0.00 0.00 56.01 50.12 1ip9 n LEU 10 Cb 0.00 -1.54 -0.01 0.00 0.53 0.00 0.00 43.42 42.39 1ip9 n LEU 10 CO 0.00 1.06 -0.41 0.29 -1.11 0.00 0.00 177.39 177.22 1ip9 n LYS 11 N 4.07 -3.72 -3.84 1.96 4.01 -1.26 -4.81 118.16 114.56 1ip9 n LYS 11 Ca 0.30 2.77 -0.12 0.00 -0.51 0.00 0.00 58.31 60.75 1ip9 n LYS 11 Cb 0.41 -3.67 -0.10 0.00 -0.51 0.00 0.00 35.03 31.16 1ip9 n LYS 11 CO 0.00 0.00 0.00 0.95 -1.11 0.00 0.00 177.40 177.24 1ip9 s THR 12 N -0.45 0.08 -0.21 -0.18 -4.23 -1.26 -4.11 115.64 105.28 1ip9 s THR 12 Ca -0.09 -0.62 -0.08 0.00 -1.18 0.00 0.00 61.69 59.72 1ip9 s THR 12 Cb 0.01 -0.48 -0.04 0.00 1.34 0.00 0.00 72.50 73.33 1ip9 s THR 12 CO 0.23 -0.34 0.08 -0.89 -0.54 0.00 0.00 174.62 173.16 1ip9 s THR 13 N -1.34 4.70 -0.41 3.99 2.01 -0.32 -4.82 115.64 119.44 1ip9 s THR 13 Ca -0.14 -0.05 -0.29 0.00 0.31 0.00 0.00 61.69 61.52 1ip9 s THR 13 Cb -0.07 -3.15 0.02 0.00 0.01 0.00 0.00 72.50 69.31 1ip9 s THR 13 CO 0.02 0.40 1.09 -0.75 -0.69 0.00 0.00 174.62 174.69 1ip9 s LYS 14 N 0.90 3.85 -0.16 4.92 2.20 -1.26 -2.64 119.74 127.54 1ip9 s LYS 14 Ca 0.04 0.73 0.00 0.00 -0.36 0.00 0.00 55.97 56.38 1ip9 s LYS 14 Cb -0.14 -3.84 0.03 0.00 -1.51 0.00 0.00 37.83 32.38 1ip9 s LYS 14 CO 0.03 -1.16 -0.10 0.42 -0.36 0.00 0.00 175.35 174.17 1ip9 s ILE 15 N 4.05 1.41 -0.20 5.43 1.01 -0.78 -4.74 121.20 127.37 1ip9 s ILE 15 Ca 0.46 -0.71 -0.14 0.00 0.00 0.00 0.00 60.65 60.25 1ip9 s ILE 15 Cb -0.09 -1.45 -0.04 0.00 0.01 0.00 0.00 42.46 40.88 1ip9 s ILE 15 CO 0.24 0.27 0.33 -0.54 0.00 0.00 0.00 174.94 175.24 1ip9 s LYS 16 N 1.52 4.17 0.63 2.79 -0.14 -1.26 -0.72 119.74 126.74 1ip9 s LYS 16 Ca 0.02 0.08 -0.03 0.00 -1.36 0.00 0.00 55.97 54.68 1ip9 s LYS 16 Cb -0.14 -3.52 0.05 0.00 -1.68 0.00 0.00 37.83 32.53 1ip9 s LYS 16 CO -0.09 0.03 0.91 -0.06 -0.76 0.00 0.00 175.35 175.38 1ip9 s PHE 17 N 1.11 2.90 -0.47 3.18 0.40 -0.06 -0.47 117.98 124.56 1ip9 s PHE 17 Ca 0.16 0.25 0.07 0.00 -0.60 0.00 0.00 56.93 56.81 1ip9 s PHE 17 Cb -0.14 -2.99 0.25 0.00 0.51 0.00 0.00 43.02 40.65 1ip9 s PHE 17 CO 0.06 -1.16 0.61 0.66 0.70 0.00 0.00 175.22 176.09 1ip9 n TYR 18 N -2.66 1.05 -2.29 0.36 4.02 0.59 -3.09 117.16 115.13 1ip9 n TYR 18 Ca 0.08 -3.77 -0.43 0.00 -0.01 0.00 0.00 57.90 53.77 1ip9 n TYR 18 Cb 0.60 -0.42 -0.02 0.00 -0.02 0.00 0.00 39.34 39.47 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 -1.69 2.47 0.00 -0.72 5.04 -0.51 -1.62 117.35 120.32 1ip9 s TYR 19 Ca 0.37 0.74 0.00 0.00 -2.44 0.00 0.00 57.07 55.74 1ip9 s TYR 19 Cb 0.17 -3.87 0.00 0.00 0.35 0.00 0.00 41.96 38.61 1ip9 s TYR 19 CO -0.08 -2.24 0.00 1.63 -1.34 0.00 0.00 175.55 173.52 1ip9 n LYS 20 N 7.32 0.00 0.01 4.97 5.02 -0.98 -0.52 118.16 133.98 1ip9 n LYS 20 Ca 0.16 0.00 0.13 0.00 -2.02 0.00 0.00 58.31 56.59 1ip9 n LYS 20 Cb 0.46 0.00 0.50 0.00 -0.02 0.00 0.00 35.03 35.97 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 -0.81 0.19 -4.89 4.39 8.00 -1.26 -4.82 116.55 117.35 1ip9 n ASP 21 Ca 0.00 0.31 -0.29 0.00 0.71 0.00 0.00 54.79 55.51 1ip9 n ASP 21 Cb 0.00 -0.31 -0.03 0.00 -0.02 0.00 0.00 41.12 40.76 1ip9 n ASP 21 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1ip9 s ASP 22 N -3.11 6.46 -0.01 -2.24 -1.08 0.32 -5.09 116.67 111.91 1ip9 s ASP 22 Ca 0.13 0.96 -0.06 0.00 -0.52 0.00 0.00 52.55 53.05 1ip9 s ASP 22 Cb 0.18 -2.25 0.00 0.00 -1.46 0.00 0.00 42.92 39.39 1ip9 s ASP 22 CO 0.58 -0.36 0.12 -0.63 0.52 0.00 0.00 175.17 175.41 1ip9 s ILE 23 N -2.33 0.07 0.00 4.11 1.01 -1.26 -1.43 121.20 121.37 1ip9 s ILE 23 Ca 0.48 -0.58 0.00 0.00 0.00 0.00 0.00 60.65 60.55 1ip9 s ILE 23 Cb -0.10 -0.38 0.00 0.00 0.01 0.00 0.00 42.46 41.99 1ip9 s ILE 23 CO 0.33 -0.32 0.00 2.22 0.00 0.00 0.00 174.94 177.17 1ip9 n PHE 24 N 1.75 0.00 -3.92 3.97 -1.74 -1.18 -4.94 117.46 111.39 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 -0.03 0.00 1.52 0.00 0.00 39.48 41.53 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 -0.67 -0.04 1.98 0.00 -1.26 -0.88 121.76 118.88 1ip9 s ALA 25 Ca 0.00 -0.65 -0.16 0.00 0.00 0.00 0.00 51.96 51.16 1ip9 s ALA 25 Cb 0.00 0.94 0.03 0.00 0.00 0.00 0.00 23.12 24.09 1ip9 s ALA 25 CO 0.00 -0.95 0.35 -1.17 0.00 0.00 0.00 175.76 173.99 1ip9 s LEU 26 N -2.99 0.70 -0.35 0.00 2.96 0.10 -4.91 118.68 114.19 1ip9 s LEU 26 Ca 0.17 0.26 -0.04 0.00 -0.22 0.00 0.00 54.13 54.30 1ip9 s LEU 26 Cb -0.03 1.35 0.07 0.00 0.50 0.00 0.00 46.19 48.08 1ip9 s LEU 26 CO 0.09 -0.40 0.11 -0.04 -1.32 0.00 0.00 176.35 174.80 1ip9 s MET 27 N -1.03 2.36 -0.05 1.98 -1.94 -1.26 -1.87 119.30 117.49 1ip9 s MET 27 Ca -0.11 -1.44 -0.21 0.00 -1.71 0.00 0.00 55.69 52.23 1ip9 s MET 27 Cb -0.04 -3.43 -0.05 0.00 2.01 0.00 0.00 34.83 33.32 1ip9 s MET 27 CO 0.04 -0.81 0.59 -0.51 -0.01 0.00 0.00 175.02 174.32 1ip9 s LEU 28 N 1.27 4.35 0.00 -0.03 2.01 -1.08 -4.71 118.68 120.49 1ip9 s LEU 28 Ca 0.01 1.08 0.24 0.00 0.01 0.00 0.00 54.13 55.46 1ip9 s LEU 28 Cb -0.21 -2.90 0.33 0.00 0.01 0.00 0.00 46.19 43.42 1ip9 s LEU 28 CO -0.01 0.02 1.29 0.29 1.01 0.00 0.00 176.35 178.95 1ip9 n LYS 29 N 3.25 0.37 0.00 1.70 5.02 -1.26 -1.18 118.16 126.06 1ip9 n LYS 29 Ca -0.05 -0.26 0.00 0.00 -2.02 0.00 0.00 58.31 55.98 1ip9 n LYS 29 Cb 0.51 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 34.03 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 1.45 1.47 0.00 0.72 0.00 -1.26 -4.87 105.19 102.70 1ip9 n GLY 30 Ca 0.07 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.17 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 1.07 -4.55 1.61 5.75 -1.26 -4.99 116.55 114.17 1ip9 n ASP 31 Ca 0.00 -0.39 -0.37 0.00 -0.01 0.00 0.00 54.79 54.02 1ip9 n ASP 31 Cb 0.00 1.40 0.06 0.00 -1.03 0.00 0.00 41.12 41.55 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 -1.74 2.97 -4.16 2.12 -1.04 -1.26 -5.01 114.28 106.15 1ip9 n THR 32 Ca -0.00 -0.47 -0.08 0.00 -2.04 0.00 0.00 64.05 61.46 1ip9 n THR 32 Cb 0.34 -0.95 -0.02 0.00 -1.82 0.00 0.00 70.33 67.87 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 -1.95 0.00 0.04 12.58 -2.24 -1.26 -4.72 114.28 116.73 1ip9 n THR 33 Ca 0.13 -0.71 -0.17 0.00 -2.27 0.00 0.00 64.05 61.03 1ip9 n THR 33 Cb 0.48 0.23 -0.14 0.00 -2.10 0.00 0.00 70.33 68.80 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 1.18 0.40 0.00 4.78 3.20 -1.82 -1.81 116.97 122.90 1ip9 h TYR 34 Ca -0.10 -0.30 -0.02 0.00 3.14 0.00 0.00 58.73 61.46 1ip9 h TYR 34 Cb 0.37 -0.02 -0.00 0.00 1.54 0.00 0.00 36.73 38.62 1ip9 h TYR 34 CO 0.00 1.40 -0.08 0.87 -1.64 0.00 0.00 178.16 178.71 1ip9 h LYS 35 N 0.06 0.00 0.19 1.82 1.57 -1.93 -1.35 116.57 116.92 1ip9 h LYS 35 Ca -0.28 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.49 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 0.14 0.08 -0.09 0.93 -0.57 0.00 0.00 179.45 179.94 1ip9 h GLU 36 N 0.00 -0.24 -1.08 3.15 3.07 -1.95 -3.09 114.58 114.43 1ip9 h GLU 36 Ca -0.00 0.02 0.29 0.00 -0.50 0.00 0.00 59.36 59.17 1ip9 h GLU 36 Cb 0.88 0.06 -0.07 0.00 -0.84 0.00 0.00 28.75 28.77 1ip9 h GLU 36 CO 0.01 -0.08 0.73 1.25 -1.40 0.00 0.00 179.01 179.52 1ip9 h LEU 37 N -1.05 0.26 -0.47 1.33 5.85 -1.31 0.23 115.31 120.15 1ip9 h LEU 37 Ca -0.03 0.05 0.03 0.00 0.84 0.00 0.00 57.88 58.77 1ip9 h LEU 37 Cb 0.27 0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.28 1ip9 h LEU 37 CO 0.04 0.05 0.27 -0.09 -0.34 0.00 0.00 178.44 178.36 1ip9 h ARG 38 N 0.23 0.52 0.00 1.25 2.43 -1.20 0.21 114.38 117.81 1ip9 h ARG 38 Ca 0.57 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.71 1ip9 h ARG 38 Cb 1.79 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 31.22 1ip9 h ARG 38 CO -0.18 0.34 0.00 0.43 -1.51 0.00 0.00 179.97 179.05 1ip9 n SER 39 N -4.84 0.45 0.06 -3.80 7.64 0.75 -1.51 113.62 112.37 1ip9 n SER 39 Ca 0.03 0.55 0.08 0.00 1.01 0.00 0.00 58.87 60.54 1ip9 n SER 39 Cb 0.08 -0.67 -0.05 0.00 -1.01 0.00 0.00 64.21 62.56 1ip9 n SER 39 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1ip9 n LYS 40 N -1.93 0.62 -0.09 1.43 5.02 -0.55 -4.27 118.16 118.39 1ip9 n LYS 40 Ca 0.06 0.10 -0.16 0.00 -2.02 0.00 0.00 58.31 56.28 1ip9 n LYS 40 Cb 0.36 -1.77 -0.13 0.00 -0.02 0.00 0.00 35.03 33.47 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 -2.68 1.53 -0.34 -0.18 5.41 -0.05 -4.13 119.36 118.92 1ip9 n ILE 41 Ca -0.04 -0.67 0.02 0.00 1.00 0.00 0.00 62.75 63.06 1ip9 n ILE 41 Cb 0.65 -1.22 0.08 0.00 -0.71 0.00 0.00 39.64 38.45 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 0.32 0.39 -0.01 -1.39 0.00 -1.45 0.71 119.26 117.83 1ip9 h ALA 42 Ca -0.53 0.32 -0.12 0.00 0.00 0.00 0.00 54.91 54.58 1ip9 h ALA 42 Cb 2.01 0.83 -0.02 0.00 0.00 0.00 0.00 17.79 20.61 1ip9 h ALA 42 CO -0.02 -0.50 -0.57 -1.00 0.00 0.00 0.00 179.25 177.17 1ip9 h PRO 43 N -0.02 0.02 -0.00 0.00 0.13 -1.76 -0.88 132.00 129.49 1ip9 h PRO 43 Ca 0.39 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.51 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 -0.95 0.58 -0.04 0.54 -0.23 0.00 0.00 178.00 177.91 1ip9 n ARG 44 N -3.87 0.60 -0.09 0.86 5.12 0.20 -3.37 116.66 116.10 1ip9 n ARG 44 Ca -0.01 -0.08 -0.10 0.00 -1.93 0.00 0.00 57.85 55.72 1ip9 n ARG 44 Cb 0.57 -1.50 -0.13 0.00 -1.16 0.00 0.00 32.46 30.25 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 -1.13 1.21 -0.45 0.55 5.41 0.17 -4.98 119.36 120.14 1ip9 n ILE 45 Ca 0.16 -0.68 0.00 0.00 1.00 0.00 0.00 62.75 63.23 1ip9 n ILE 45 Cb 0.24 -0.72 0.00 0.00 -0.71 0.00 0.00 39.64 38.45 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 -2.76 -1.34 -3.41 4.38 8.00 -0.40 -5.03 116.55 115.98 1ip9 n ASP 46 Ca -0.31 0.00 -0.14 0.00 0.71 0.00 0.00 54.79 55.05 1ip9 n ASP 46 Cb 1.03 -0.22 -0.05 0.00 -0.02 0.00 0.00 41.12 41.85 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 -2.00 0.00 -0.48 -3.53 -1.32 -1.00 -5.03 115.64 102.28 1ip9 s THR 47 Ca 0.00 -1.65 0.04 0.00 -1.21 0.00 0.00 61.69 58.87 1ip9 s THR 47 Cb 0.00 -2.57 0.02 0.00 -1.51 0.00 0.00 72.50 68.44 1ip9 s THR 47 CO 0.00 0.00 0.56 -0.67 -2.21 0.00 0.00 174.62 172.30 1ip9 n ASP 48 N -1.22 1.16 -3.90 8.08 2.03 -1.26 -4.31 116.55 117.13 1ip9 n ASP 48 Ca 0.01 -1.08 -0.30 0.00 0.52 0.00 0.00 54.79 53.94 1ip9 n ASP 48 Cb 0.62 0.17 -0.15 0.00 -0.72 0.00 0.00 41.12 41.04 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 -0.54 4.27 0.03 1.67 0.01 -1.26 -4.99 114.94 114.13 1ip9 s ASN 49 Ca 0.04 -1.71 0.01 0.00 -0.71 0.00 0.00 52.86 50.49 1ip9 s ASN 49 Cb 0.04 -1.24 -0.02 0.00 0.41 0.00 0.00 41.25 40.43 1ip9 s ASN 49 CO 0.07 -0.35 -0.05 0.72 -1.51 0.00 0.00 177.10 175.98 1ip9 s PHE 50 N 1.28 0.41 -0.26 2.20 -0.71 -1.26 -1.23 117.98 118.41 1ip9 s PHE 50 Ca 0.06 -0.49 -0.15 0.00 -1.04 0.00 0.00 56.93 55.31 1ip9 s PHE 50 Cb -0.18 -0.26 -0.04 0.00 -1.21 0.00 0.00 43.02 41.32 1ip9 s PHE 50 CO -0.14 -0.14 0.35 0.15 -1.34 0.00 0.00 175.22 174.11 1ip9 s LYS 51 N -1.43 4.03 -0.21 1.99 1.02 -0.36 -4.80 119.74 119.99 1ip9 s LYS 51 Ca -0.13 0.02 -0.07 0.00 0.02 0.00 0.00 55.97 55.81 1ip9 s LYS 51 Cb -0.09 -3.64 -0.04 0.00 -0.52 0.00 0.00 37.83 33.54 1ip9 s LYS 51 CO -0.00 -0.23 0.06 -0.51 -0.92 0.00 0.00 175.35 173.75 1ip9 s LEU 52 N 1.91 3.62 0.31 3.17 1.43 -1.25 -1.14 118.68 126.73 1ip9 s LEU 52 Ca 0.15 -0.05 0.03 0.00 -1.03 0.00 0.00 54.13 53.22 1ip9 s LEU 52 Cb -0.16 -1.93 -0.04 0.00 0.03 0.00 0.00 46.19 44.09 1ip9 s LEU 52 CO 0.09 0.09 0.12 -1.10 0.23 0.00 0.00 176.35 175.79 1ip9 s GLN 53 N 0.85 1.60 -1.17 1.70 1.11 -0.66 -1.07 119.66 122.02 1ip9 s GLN 53 Ca 0.03 -1.90 -0.19 0.00 0.01 0.00 0.00 55.36 53.31 1ip9 s GLN 53 Cb -0.14 -0.35 0.08 0.00 -1.01 0.00 0.00 33.01 31.60 1ip9 s GLN 53 CO 0.02 -0.36 1.55 0.95 0.01 0.00 0.00 175.29 177.46 1ip9 s THR 54 N -3.55 4.25 -0.53 -0.19 -4.23 -0.10 -0.99 115.64 110.31 1ip9 s THR 54 Ca 0.35 -1.64 -0.24 0.00 -1.18 0.00 0.00 61.69 58.98 1ip9 s THR 54 Cb 0.06 -5.08 -0.14 0.00 1.34 0.00 0.00 72.50 68.69 1ip9 s THR 54 CO 0.16 -1.90 1.65 1.17 -0.54 0.00 0.00 174.62 175.15 1ip9 n LYS 55 N 7.99 0.00 0.00 3.99 0.00 0.77 -2.39 118.16 128.52 1ip9 n LYS 55 Ca 0.40 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.71 1ip9 n LYS 55 Cb 0.47 -1.00 0.00 0.00 0.00 0.00 0.00 35.03 34.50 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 6.17 0.00 0.00 3.14 4.77 -1.26 -4.43 117.00 125.39 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 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1ip9 n LEU 56 CO 0.61 0.00 0.07 2.22 -1.33 0.00 0.00 177.39 178.96 1ip9 n PHE 57 N 0.00 0.00 0.48 -1.77 1.16 -1.26 -4.67 117.46 111.40 1ip9 n PHE 57 Ca 0.00 0.00 0.06 0.00 -1.87 0.00 0.00 57.45 55.64 1ip9 n PHE 57 Cb 0.00 0.00 -0.08 0.00 -1.61 0.00 0.00 39.48 37.79 1ip9 n PHE 57 CO 0.00 0.00 0.00 -0.40 -1.87 0.00 0.00 176.76 174.49 1ip9 n ASP 58 N -0.45 0.92 0.00 5.98 5.75 -1.26 -5.01 116.55 122.48 1ip9 n ASP 58 Ca 0.00 -0.62 0.00 0.00 -0.01 0.00 0.00 54.79 54.16 1ip9 n ASP 58 Cb 0.03 1.15 0.00 0.00 -1.03 0.00 0.00 41.12 41.27 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 1.41 0.04 3.54 6.12 0.00 -1.26 -5.13 105.19 109.91 1ip9 n GLY 59 Ca 0.01 0.19 -0.10 0.00 0.00 0.00 0.00 46.02 46.13 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 -0.31 0.00 1.61 1.04 -1.26 -4.20 113.70 110.58 1ip9 s SER 60 Ca 0.00 -0.42 0.00 0.00 0.48 0.00 0.00 55.95 56.01 1ip9 s SER 60 Cb 0.00 0.60 0.00 0.00 0.10 0.00 0.00 66.02 66.72 1ip9 s SER 60 CO 0.00 -1.07 0.00 0.61 0.98 0.00 0.00 173.24 173.76 1ip9 n GLY 61 N -0.36 2.73 3.68 7.32 0.00 -1.00 -4.55 105.19 113.01 1ip9 n GLY 61 Ca -0.11 -0.18 -0.45 0.00 0.00 0.00 0.00 46.02 45.28 1ip9 n GLY 61 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1ip9 n GLU 62 N 0.00 2.34 -2.53 1.61 2.13 -1.26 -4.37 120.64 118.56 1ip9 n GLU 62 Ca 0.00 0.85 -0.40 0.00 0.66 0.00 0.00 57.16 58.27 1ip9 n GLU 62 Cb 0.00 -2.67 -0.03 0.00 0.27 0.00 0.00 31.44 29.01 1ip9 n GLU 62 CO 0.00 0.00 0.00 -2.00 -0.41 0.00 0.00 177.13 174.72 1ip9 s GLU 63 N 1.94 3.56 -0.32 5.31 2.12 -1.26 -0.92 118.70 129.13 1ip9 s GLU 63 Ca 0.82 -1.17 -0.44 0.00 0.36 0.00 0.00 54.97 54.54 1ip9 s GLU 63 Cb -0.63 -5.36 -0.19 0.00 0.26 0.00 0.00 34.13 28.21 1ip9 s GLU 63 CO 0.40 -2.30 1.46 -0.89 -0.54 0.00 0.00 175.26 173.39 1ip9 n ILE 64 N 6.91 0.03 -1.80 -3.70 -0.00 -0.24 -4.78 119.36 115.78 1ip9 n ILE 64 Ca 0.35 -0.01 0.00 0.00 -0.00 0.00 0.00 62.75 63.10 1ip9 n ILE 64 Cb 0.50 -0.45 0.00 0.00 -0.00 0.00 0.00 39.64 39.69 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 3.40 0.00 -3.61 0.38 5.02 -1.26 -4.62 118.16 117.47 1ip9 n LYS 65 Ca 0.27 -0.58 -0.16 0.00 -2.02 0.00 0.00 58.31 55.82 1ip9 n LYS 65 Cb 0.01 -0.34 -0.07 0.00 -0.02 0.00 0.00 35.03 34.61 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 0.02 0.63 -0.18 -4.23 -1.26 -4.98 115.64 105.64 1ip9 s THR 66 Ca 0.00 -0.13 0.22 0.00 -1.18 0.00 0.00 61.69 60.60 1ip9 s THR 66 Cb 0.00 -0.87 0.28 0.00 1.34 0.00 0.00 72.50 73.25 1ip9 s THR 66 CO 0.00 -0.07 1.55 0.44 -0.54 0.00 0.00 174.62 176.00 1ip9 h ASP 67 N 3.57 0.00 0.13 3.99 3.32 -1.93 0.38 116.42 125.88 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 1.15 0.00 0.02 0.00 0.22 0.00 0.00 39.33 40.73 1ip9 h ASP 67 CO 0.35 0.00 -0.81 0.28 -1.72 0.00 0.00 179.24 177.34 1ip9 h SER 68 N 0.00 0.49 -0.71 6.45 0.02 -1.94 -1.58 113.55 116.28 1ip9 h SER 68 Ca 0.18 -0.93 0.04 0.00 -0.84 0.00 0.00 61.79 60.25 1ip9 h SER 68 Cb 1.68 -0.16 -0.04 0.00 0.14 0.00 0.00 62.40 64.02 1ip9 h SER 68 CO -0.00 1.38 0.47 1.56 -1.14 0.00 0.00 176.83 179.10 1ip9 h GLN 69 N -0.32 0.81 -0.02 3.45 4.20 -0.64 0.14 115.11 122.72 1ip9 h GLN 69 Ca -0.14 -0.05 -0.03 0.00 0.06 0.00 0.00 58.65 58.50 1ip9 h GLN 69 Cb 1.62 -0.18 0.00 0.00 0.30 0.00 0.00 27.48 29.22 1ip9 h GLN 69 CO 0.15 0.53 -0.09 0.28 -0.67 0.00 0.00 178.83 179.04 1ip9 h VAL 70 N 0.83 1.51 0.00 -0.54 2.07 -1.48 -1.18 116.25 117.45 1ip9 h VAL 70 Ca 0.29 -1.62 0.00 0.00 0.82 0.00 0.00 66.70 66.20 1ip9 h VAL 70 Cb 0.12 2.53 0.00 0.00 -1.52 0.00 0.00 31.29 32.42 1ip9 h VAL 70 CO -0.09 0.43 0.00 0.28 0.02 0.00 0.00 177.57 178.21 1ip9 h SER 71 N -0.53 0.00 0.09 0.57 0.02 -0.76 0.39 113.55 113.33 1ip9 h SER 71 Ca -0.01 0.00 -0.19 0.00 -0.84 0.00 0.00 61.79 60.75 1ip9 h SER 71 Cb 0.75 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.29 1ip9 h SER 71 CO 0.02 0.00 -0.95 -1.13 -1.14 0.00 0.00 176.83 173.62 1ip9 h ASN 72 N 0.00 0.30 0.46 3.07 -1.24 -0.47 -0.92 115.58 116.78 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 0.06 -0.10 0.00 0.00 0.73 0.00 0.00 38.32 39.01 1ip9 h ASN 72 CO 0.00 1.42 0.00 -0.38 -1.29 0.00 0.00 177.43 177.18 1ip9 n ILE 73 N -4.17 1.00 0.04 2.57 -0.00 -0.25 -0.86 119.36 117.69 1ip9 n ILE 73 Ca -0.20 0.38 -0.22 0.00 -0.00 0.00 0.00 62.75 62.71 1ip9 n ILE 73 Cb 0.78 -1.30 -0.14 0.00 -0.00 0.00 0.00 39.64 38.97 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 1.01 0.00 1.39 2.04 -0.18 0.96 117.51 122.73 1ip9 h ILE 74 Ca 0.00 -2.45 0.00 0.00 1.00 0.00 0.00 64.86 63.41 1ip9 h ILE 74 Cb 0.23 2.75 0.00 0.00 -0.74 0.00 0.00 36.82 39.06 1ip9 h ILE 74 CO 0.00 0.77 0.00 -0.61 0.00 0.00 0.00 178.15 178.31 1ip9 h GLN 75 N -0.14 0.00 -0.05 2.37 4.15 -0.46 -3.21 115.11 117.77 1ip9 h GLN 75 Ca -0.32 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.10 1ip9 h GLN 75 Cb 1.90 0.00 0.00 0.00 0.21 0.00 0.00 27.48 29.59 1ip9 h GLN 75 CO 0.11 0.00 0.00 0.00 -1.93 0.00 0.00 178.83 177.01 1ip9 n ALA 76 N -2.08 2.40 -3.36 3.38 0.00 -0.04 -5.04 120.51 115.77 1ip9 n ALA 76 Ca 0.04 -0.67 -0.31 0.00 0.00 0.00 0.00 53.44 52.49 1ip9 n ALA 76 Cb 0.51 -0.23 0.03 0.00 0.00 0.00 0.00 19.45 19.76 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 0.30 -1.95 -4.35 0.00 4.81 0.20 -4.94 118.16 112.24 1ip9 n LYS 77 Ca 0.04 1.54 -0.35 0.00 -0.87 0.00 0.00 58.31 58.68 1ip9 n LYS 77 Cb 0.21 -2.70 -0.10 0.00 0.02 0.00 0.00 35.03 32.46 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 -2.39 3.56 -0.01 3.14 2.01 -0.44 -5.00 118.68 119.54 1ip9 s LEU 78 Ca 0.34 0.10 -0.30 0.00 0.01 0.00 0.00 54.13 54.28 1ip9 s LEU 78 Cb -0.04 -1.82 -0.05 0.00 0.01 0.00 0.00 46.19 44.28 1ip9 s LEU 78 CO 0.81 0.34 1.30 -0.54 1.01 0.00 0.00 176.35 179.27 1ip9 s LYS 79 N -0.62 4.33 0.29 1.70 1.02 -1.26 -4.50 119.74 120.69 1ip9 s LYS 79 Ca 0.10 1.84 -0.03 0.00 0.02 0.00 0.00 55.97 57.91 1ip9 s LYS 79 Cb -0.12 -3.52 -0.05 0.00 -0.52 0.00 0.00 37.83 33.62 1ip9 s LYS 79 CO 0.02 -0.48 0.52 0.42 -0.92 0.00 0.00 175.35 174.91 1ip9 s ILE 80 N 2.10 5.08 -0.07 2.17 -1.09 0.38 0.27 121.20 130.04 1ip9 s ILE 80 Ca 0.60 -0.13 0.06 0.00 -2.23 0.00 0.00 60.65 58.95 1ip9 s ILE 80 Cb -0.29 -3.76 -0.01 0.00 -1.58 0.00 0.00 42.46 36.82 1ip9 s ILE 80 CO 0.25 -0.35 -0.25 -0.44 -1.23 0.00 0.00 174.94 172.93 1ip9 s SER 81 N -3.35 3.10 -0.12 3.58 0.01 -0.16 0.22 113.70 116.97 1ip9 s SER 81 Ca 0.42 -0.52 0.00 0.00 1.31 0.00 0.00 55.95 57.17 1ip9 s SER 81 Cb -0.11 -0.97 -0.02 0.00 0.21 0.00 0.00 66.02 65.14 1ip9 s SER 81 CO 0.31 0.23 -0.12 -0.69 0.41 0.00 0.00 173.24 173.38 1ip9 s VAL 82 N -0.06 3.15 0.25 3.43 1.01 -0.64 -1.65 120.40 125.89 1ip9 s VAL 82 Ca -0.07 -0.64 0.11 0.00 0.00 0.00 0.00 61.98 61.38 1ip9 s VAL 82 Cb -0.15 -2.31 -0.05 0.00 0.00 0.00 0.00 36.38 33.88 1ip9 s VAL 82 CO 0.05 0.53 -0.12 -1.00 0.00 0.00 0.00 175.10 174.56 1ip9 s HIS 83 N 0.16 2.49 -0.13 5.22 3.76 -0.29 -2.31 115.29 124.18 1ip9 s HIS 83 Ca -0.07 -0.28 -0.11 0.00 -0.15 0.00 0.00 55.06 54.46 1ip9 s HIS 83 Cb -0.15 -1.13 -0.05 0.00 1.11 0.00 0.00 32.58 32.36 1ip9 s HIS 83 CO 0.05 0.62 0.23 -0.51 -0.85 0.00 0.00 174.74 174.28 1ip9 s ASP 84 N -3.35 6.42 0.00 1.40 1.01 -1.26 -1.22 116.67 119.67 1ip9 s ASP 84 Ca 0.29 0.50 0.00 0.00 0.71 0.00 0.00 52.55 54.04 1ip9 s ASP 84 Cb -0.06 -2.14 0.00 0.00 1.01 0.00 0.00 42.92 41.73 1ip9 s ASP 84 CO 0.16 0.24 0.03 2.30 0.21 0.00 0.00 175.17 178.12