#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 3.00 -3.40 4.61 0.00 -1.26 -5.02 120.51 118.44 1ip9 n ALA 2 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 53.44 53.17 1ip9 n ALA 2 Cb 0.00 0.03 -0.10 0.00 0.00 0.00 0.00 19.45 19.38 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 -2.00 0.88 -0.29 0.00 0.23 -1.26 -5.04 119.30 111.82 1ip9 s MET 3 Ca 0.00 -2.04 -0.05 0.00 -1.03 0.00 0.00 55.69 52.57 1ip9 s MET 3 Cb 0.00 -1.42 0.19 0.00 -1.53 0.00 0.00 34.83 32.07 1ip9 s MET 3 CO 0.00 -1.37 0.88 0.20 -2.03 0.00 0.00 175.02 172.70 1ip9 s GLY 4 N 0.15 -1.03 -0.50 3.16 0.00 -1.26 -5.08 107.32 102.75 1ip9 s GLY 4 Ca 0.31 1.76 0.07 0.00 0.00 0.00 0.00 44.72 46.86 1ip9 s GLY 4 CO -0.18 3.94 0.64 -1.14 0.00 0.00 0.00 173.10 176.37 1ip9 n SER 5 N 5.23 1.89 -4.08 1.64 3.41 -1.26 -5.03 113.62 115.42 1ip9 n SER 5 Ca 0.07 -3.06 -0.34 0.00 -0.26 0.00 0.00 58.87 55.28 1ip9 n SER 5 Cb 0.56 -0.65 -0.13 0.00 -0.26 0.00 0.00 64.21 63.74 1ip9 n SER 5 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1ip9 s SER 6 N -1.87 5.07 -0.35 4.04 0.15 -1.26 -5.06 113.70 114.42 1ip9 s SER 6 Ca 0.38 -2.12 -0.17 0.00 0.70 0.00 0.00 55.95 54.74 1ip9 s SER 6 Cb 0.17 -1.76 -0.01 0.00 -1.71 0.00 0.00 66.02 62.72 1ip9 s SER 6 CO -0.07 -0.48 0.44 -0.89 1.20 0.00 0.00 173.24 173.44 1ip9 s THR 7 N 0.99 5.09 -0.30 6.45 2.01 -1.26 -5.00 115.64 123.63 1ip9 s THR 7 Ca 0.10 0.18 -0.13 0.00 0.31 0.00 0.00 61.69 62.15 1ip9 s THR 7 Cb -0.21 -3.90 0.17 0.00 0.01 0.00 0.00 72.50 68.57 1ip9 s THR 7 CO -0.05 -0.16 0.96 -0.44 -0.69 0.00 0.00 174.62 174.24 1ip9 s SER 8 N 1.75 -0.63 0.01 3.53 0.01 -1.26 -5.17 113.70 111.94 1ip9 s SER 8 Ca 0.15 0.67 -0.05 0.00 1.31 0.00 0.00 55.95 58.04 1ip9 s SER 8 Cb -0.16 1.64 -0.01 0.00 0.21 0.00 0.00 66.02 67.70 1ip9 s SER 8 CO 0.12 -0.12 0.08 -0.83 0.41 0.00 0.00 173.24 172.90 1ip9 s GLY 9 N 2.63 0.13 0.00 3.44 0.00 -1.26 -5.15 107.32 107.11 1ip9 s GLY 9 Ca 0.00 -0.36 0.00 0.00 0.00 0.00 0.00 44.72 44.36 1ip9 s GLY 9 CO -0.16 -0.48 0.00 -0.10 0.00 0.00 0.00 173.10 172.36 1ip9 n LEU 10 N 1.35 0.00 -1.66 0.66 7.94 -1.24 -5.01 117.00 119.03 1ip9 n LEU 10 Ca -0.22 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.68 1ip9 n LEU 10 Cb 0.56 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.51 1ip9 n LEU 10 CO 0.21 0.00 -0.41 0.29 -1.11 0.00 0.00 177.39 176.37 1ip9 n LYS 11 N 0.00 -4.55 -4.59 1.96 5.02 -1.26 -4.48 118.16 110.26 1ip9 n LYS 11 Ca 0.00 3.29 -0.34 0.00 -2.02 0.00 0.00 58.31 59.24 1ip9 n LYS 11 Cb 0.00 -3.56 -0.11 0.00 -0.02 0.00 0.00 35.03 31.34 1ip9 n LYS 11 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1ip9 s THR 12 N -1.41 3.72 -0.17 -0.18 -4.23 -1.26 -4.05 115.64 108.06 1ip9 s THR 12 Ca 0.00 -0.51 -0.15 0.00 -1.18 0.00 0.00 61.69 59.84 1ip9 s THR 12 Cb 0.00 -2.54 -0.04 0.00 1.34 0.00 0.00 72.50 71.26 1ip9 s THR 12 CO 0.00 0.57 0.36 -0.89 -0.54 0.00 0.00 174.62 174.12 1ip9 s THR 13 N -0.84 5.25 -0.44 3.99 2.01 -0.50 -4.76 115.64 120.35 1ip9 s THR 13 Ca 0.13 0.67 -0.24 0.00 0.31 0.00 0.00 61.69 62.56 1ip9 s THR 13 Cb -0.11 -3.70 0.02 0.00 0.01 0.00 0.00 72.50 68.72 1ip9 s THR 13 CO 0.02 0.32 0.82 -0.75 -0.69 0.00 0.00 174.62 174.35 1ip9 s LYS 14 N 0.85 3.51 -0.07 4.92 2.20 -1.26 -2.31 119.74 127.57 1ip9 s LYS 14 Ca 0.19 0.05 0.05 0.00 -0.36 0.00 0.00 55.97 55.89 1ip9 s LYS 14 Cb -0.14 -3.91 -0.00 0.00 -1.51 0.00 0.00 37.83 32.27 1ip9 s LYS 14 CO 0.07 -1.09 -0.22 0.42 -0.36 0.00 0.00 175.35 174.16 1ip9 s ILE 15 N 3.37 1.87 -0.35 5.43 1.01 -0.93 -4.83 121.20 126.77 1ip9 s ILE 15 Ca 0.32 -0.94 -0.11 0.00 0.00 0.00 0.00 60.65 59.92 1ip9 s ILE 15 Cb -0.12 -1.61 0.01 0.00 0.01 0.00 0.00 42.46 40.75 1ip9 s ILE 15 CO 0.22 0.52 0.19 -0.54 0.00 0.00 0.00 174.94 175.34 1ip9 s LYS 16 N 0.14 3.13 0.84 2.79 -0.14 -1.26 -1.22 119.74 124.02 1ip9 s LYS 16 Ca -0.11 -0.88 -0.12 0.00 -1.36 0.00 0.00 55.97 53.51 1ip9 s LYS 16 Cb -0.15 -3.69 0.10 0.00 -1.68 0.00 0.00 37.83 32.41 1ip9 s LYS 16 CO 0.06 -0.56 1.17 -0.06 -0.76 0.00 0.00 175.35 175.20 1ip9 s PHE 17 N 1.61 2.81 -0.44 3.18 0.40 0.29 -1.40 117.98 124.43 1ip9 s PHE 17 Ca 0.04 0.77 0.08 0.00 -0.60 0.00 0.00 56.93 57.22 1ip9 s PHE 17 Cb -0.18 -3.47 0.25 0.00 0.51 0.00 0.00 43.02 40.12 1ip9 s PHE 17 CO 0.07 -1.95 0.55 0.66 0.70 0.00 0.00 175.22 175.25 1ip9 n TYR 18 N -3.45 0.34 -2.26 0.36 4.02 0.56 -2.93 117.16 113.79 1ip9 n TYR 18 Ca 0.08 -3.66 -0.43 0.00 -0.01 0.00 0.00 57.90 53.88 1ip9 n TYR 18 Cb 0.60 -0.37 -0.02 0.00 -0.02 0.00 0.00 39.34 39.53 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 -1.37 2.33 0.00 -0.72 5.04 -0.59 -1.78 117.35 120.25 1ip9 s TYR 19 Ca 0.36 0.69 0.00 0.00 -2.44 0.00 0.00 57.07 55.67 1ip9 s TYR 19 Cb 0.16 -4.09 0.00 0.00 0.35 0.00 0.00 41.96 38.38 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 7.80 0.00 0.00 4.97 5.02 -0.98 -0.70 118.16 134.27 1ip9 n LYS 20 Ca 0.17 0.00 0.14 0.00 -2.02 0.00 0.00 58.31 56.61 1ip9 n LYS 20 Cb 0.47 0.00 0.68 0.00 -0.02 0.00 0.00 35.03 36.16 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 -0.29 0.26 -4.94 4.39 9.92 -1.26 -4.82 116.55 119.80 1ip9 n ASP 21 Ca 0.00 -0.41 -0.24 0.00 -0.53 0.00 0.00 54.79 53.61 1ip9 n ASP 21 Cb 0.00 -0.15 -0.01 0.00 -0.64 0.00 0.00 41.12 40.32 1ip9 n ASP 21 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 1ip9 s ASP 22 N -2.50 6.27 -0.01 -2.24 2.15 0.13 -5.11 116.67 115.36 1ip9 s ASP 22 Ca 0.29 0.48 -0.05 0.00 0.43 0.00 0.00 52.55 53.70 1ip9 s ASP 22 Cb 0.20 -2.03 0.00 0.00 -0.30 0.00 0.00 42.92 40.79 1ip9 s ASP 22 CO 0.47 -0.33 0.10 -0.63 -0.17 0.00 0.00 175.17 174.61 1ip9 s ILE 23 N -2.36 0.06 0.00 4.11 1.09 -1.26 -1.55 121.20 121.29 1ip9 s ILE 23 Ca 0.41 -0.53 0.00 0.00 -1.10 0.00 0.00 60.65 59.43 1ip9 s ILE 23 Cb -0.10 -0.33 0.00 0.00 -1.06 0.00 0.00 42.46 40.98 1ip9 s ILE 23 CO 0.37 -0.29 0.00 2.22 -0.10 0.00 0.00 174.94 177.14 1ip9 n PHE 24 N 1.93 0.00 -3.66 3.97 -1.74 -1.15 -4.95 117.46 111.86 1ip9 n PHE 24 Ca -0.20 0.00 -0.15 0.00 -0.56 0.00 0.00 57.45 56.54 1ip9 n PHE 24 Cb 0.56 0.00 -0.08 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 -2.00 -1.24 0.04 1.98 0.00 -1.26 -0.55 121.76 118.74 1ip9 s ALA 25 Ca 0.00 0.89 0.06 0.00 0.00 0.00 0.00 51.96 52.91 1ip9 s ALA 25 Cb 0.00 -0.11 -0.02 0.00 0.00 0.00 0.00 23.12 22.98 1ip9 s ALA 25 CO 0.00 -0.30 -0.16 -1.17 0.00 0.00 0.00 175.76 174.13 1ip9 s LEU 26 N -1.00 2.18 -0.40 0.00 2.96 -0.36 -4.95 118.68 117.11 1ip9 s LEU 26 Ca -0.10 -0.49 -0.07 0.00 -0.22 0.00 0.00 54.13 53.25 1ip9 s LEU 26 Cb -0.03 -0.71 0.08 0.00 0.50 0.00 0.00 46.19 46.03 1ip9 s LEU 26 CO 0.06 0.07 0.22 -0.04 -1.32 0.00 0.00 176.35 175.33 1ip9 s MET 27 N -1.19 2.46 -0.46 1.98 -1.94 -1.25 -2.20 119.30 116.70 1ip9 s MET 27 Ca 0.03 -1.52 -0.28 0.00 -1.71 0.00 0.00 55.69 52.21 1ip9 s MET 27 Cb -0.08 -3.67 0.03 0.00 2.01 0.00 0.00 34.83 33.11 1ip9 s MET 27 CO 0.02 -0.94 1.08 -0.51 -0.01 0.00 0.00 175.02 174.65 1ip9 s LEU 28 N 1.35 3.75 0.07 -0.03 2.01 -0.98 -4.66 118.68 120.18 1ip9 s LEU 28 Ca 0.03 0.44 0.12 0.00 0.01 0.00 0.00 54.13 54.73 1ip9 s LEU 28 Cb -0.23 -3.46 0.53 0.00 0.01 0.00 0.00 46.19 43.05 1ip9 s LEU 28 CO 0.00 -1.17 1.38 0.29 1.01 0.00 0.00 176.35 177.86 1ip9 n LYS 29 N 7.59 0.04 0.00 1.70 5.02 -1.26 -1.41 118.16 129.84 1ip9 n LYS 29 Ca 0.11 0.39 0.00 0.00 -2.02 0.00 0.00 58.31 56.78 1ip9 n LYS 29 Cb 0.49 -1.60 0.00 0.00 -0.02 0.00 0.00 35.03 33.90 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 -0.58 1.01 0.02 0.72 0.00 -1.26 -3.71 105.19 101.40 1ip9 n GLY 30 Ca 0.02 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.15 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 0.69 -4.55 1.61 5.75 -1.26 -4.94 116.55 113.85 1ip9 n ASP 31 Ca 0.00 -0.52 -0.50 0.00 -0.01 0.00 0.00 54.79 53.76 1ip9 n ASP 31 Cb 0.00 0.47 -0.04 0.00 -1.03 0.00 0.00 41.12 40.52 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 -1.45 0.92 -3.89 2.12 -1.04 -1.26 -4.97 114.28 104.71 1ip9 n THR 32 Ca 0.05 -0.23 -0.14 0.00 -2.04 0.00 0.00 64.05 61.69 1ip9 n THR 32 Cb 0.34 -0.68 -0.01 0.00 -1.82 0.00 0.00 70.33 68.16 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 1.33 0.00 0.08 12.58 -2.24 -1.26 -4.64 114.28 120.13 1ip9 n THR 33 Ca 0.16 -1.13 -0.18 0.00 -2.27 0.00 0.00 64.05 60.62 1ip9 n THR 33 Cb 0.23 -0.12 -0.10 0.00 -2.10 0.00 0.00 70.33 68.24 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 0.74 0.81 0.01 4.78 3.20 -1.80 -1.31 116.97 123.41 1ip9 h TYR 34 Ca -0.19 -0.50 -0.20 0.00 3.14 0.00 0.00 58.73 60.99 1ip9 h TYR 34 Cb 0.64 -0.07 -0.02 0.00 1.54 0.00 0.00 36.73 38.82 1ip9 h TYR 34 CO 0.00 1.34 -0.89 0.87 -1.64 0.00 0.00 178.16 177.84 1ip9 h LYS 35 N 0.24 0.13 -0.60 1.82 1.57 -1.96 -1.75 116.57 116.02 1ip9 h LYS 35 Ca -0.14 -0.15 -0.06 0.00 -1.87 0.00 0.00 60.65 58.42 1ip9 h LYS 35 Cb 1.81 0.05 -0.02 0.00 0.08 0.00 0.00 32.23 34.14 1ip9 h LYS 35 CO 0.21 0.94 0.14 1.49 -0.57 0.00 0.00 179.45 181.66 1ip9 h GLU 36 N 0.07 0.96 -0.73 3.15 4.57 -1.93 -0.55 114.58 120.11 1ip9 h GLU 36 Ca -0.04 -0.23 0.01 0.00 -1.18 0.00 0.00 59.36 57.92 1ip9 h GLU 36 Cb 1.54 -0.13 -0.04 0.00 -0.16 0.00 0.00 28.75 29.97 1ip9 h GLU 36 CO 0.13 0.89 0.48 1.25 -1.18 0.00 0.00 179.01 180.58 1ip9 h LEU 37 N 0.88 0.85 -0.63 1.64 6.46 -1.07 0.08 115.31 123.51 1ip9 h LEU 37 Ca 0.19 -0.03 -0.02 0.00 -0.12 0.00 0.00 57.88 57.90 1ip9 h LEU 37 Cb 0.36 -0.21 -0.03 0.00 -0.73 0.00 0.00 40.66 40.04 1ip9 h LEU 37 CO 0.00 0.62 0.31 0.03 -0.62 0.00 0.00 178.44 178.78 1ip9 h ARG 38 N 1.00 0.91 0.00 1.25 3.08 -0.23 0.17 114.38 120.56 1ip9 h ARG 38 Ca 0.27 -0.13 0.00 0.00 0.07 0.00 0.00 59.98 60.19 1ip9 h ARG 38 Cb -0.11 -0.17 0.00 0.00 0.08 0.00 0.00 29.97 29.78 1ip9 h ARG 38 CO -0.06 0.72 0.00 1.03 -1.07 0.00 0.00 179.97 180.59 1ip9 h SER 39 N 0.87 0.00 0.62 7.04 0.87 -0.39 -1.15 113.55 121.41 1ip9 h SER 39 Ca 0.22 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.78 1ip9 h SER 39 Cb 0.11 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.07 1ip9 h SER 39 CO -0.03 0.00 -1.07 0.29 -0.53 0.00 0.00 176.83 175.49 1ip9 n LYS 40 N -2.73 0.43 -0.10 2.24 5.02 -0.06 -4.21 118.16 118.74 1ip9 n LYS 40 Ca 0.04 0.03 -0.12 0.00 -2.02 0.00 0.00 58.31 56.24 1ip9 n LYS 40 Cb 0.46 -1.67 -0.14 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 -2.24 1.34 -0.25 -0.18 5.41 0.55 -4.33 119.36 119.67 1ip9 n ILE 41 Ca 0.01 -0.71 0.05 0.00 1.00 0.00 0.00 62.75 63.10 1ip9 n ILE 41 Cb 0.49 -0.79 0.17 0.00 -0.71 0.00 0.00 39.64 38.80 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 0.62 0.89 0.00 -1.39 0.00 -1.38 0.36 119.26 118.36 1ip9 h ALA 42 Ca -0.53 0.19 -0.04 0.00 0.00 0.00 0.00 54.91 54.53 1ip9 h ALA 42 Cb 2.06 0.29 -0.01 0.00 0.00 0.00 0.00 17.79 20.13 1ip9 h ALA 42 CO -0.01 -0.37 -0.21 -1.00 0.00 0.00 0.00 179.25 177.66 1ip9 h PRO 43 N 0.21 0.00 -0.01 0.00 0.13 -1.79 -1.36 132.00 129.18 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 -0.55 0.21 -0.37 0.54 -0.23 0.00 0.00 178.00 177.59 1ip9 n ARG 44 N -3.35 0.58 -0.11 0.86 5.12 0.83 -4.05 116.66 116.54 1ip9 n ARG 44 Ca 0.00 -0.36 -0.13 0.00 -1.93 0.00 0.00 57.85 55.44 1ip9 n ARG 44 Cb 0.43 -1.49 -0.13 0.00 -1.16 0.00 0.00 32.46 30.10 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 -0.90 1.35 -0.39 0.55 5.41 0.89 -4.98 119.36 121.29 1ip9 n ILE 45 Ca 0.10 -0.69 0.00 0.00 1.00 0.00 0.00 62.75 63.16 1ip9 n ILE 45 Cb 0.35 -0.88 0.00 0.00 -0.71 0.00 0.00 39.64 38.40 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 -2.93 -1.18 -3.41 4.38 8.00 -0.56 -5.04 116.55 115.81 1ip9 n ASP 46 Ca -0.36 0.00 -0.15 0.00 0.71 0.00 0.00 54.79 54.98 1ip9 n ASP 46 Cb 1.05 -0.20 -0.06 0.00 -0.02 0.00 0.00 41.12 41.90 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 -0.32 -3.53 -1.32 -1.16 -5.06 115.64 102.25 1ip9 s THR 47 Ca 0.00 -1.72 0.03 0.00 -1.21 0.00 0.00 61.69 58.79 1ip9 s THR 47 Cb 0.00 -2.56 0.02 0.00 -1.51 0.00 0.00 72.50 68.44 1ip9 s THR 47 CO 0.00 0.00 0.53 0.47 -2.21 0.00 0.00 174.62 173.41 1ip9 n ASP 48 N -1.26 1.11 -3.94 8.08 8.00 -1.26 -4.45 116.55 122.82 1ip9 n ASP 48 Ca 0.02 -1.05 -0.31 0.00 0.71 0.00 0.00 54.79 54.16 1ip9 n ASP 48 Cb 0.62 0.11 -0.15 0.00 -0.02 0.00 0.00 41.12 41.68 1ip9 n ASP 48 CO 0.00 0.00 0.00 0.20 -0.39 0.00 0.00 177.20 177.01 1ip9 s ASN 49 N -0.34 4.32 -0.01 -2.24 -0.87 -1.26 -5.00 114.94 109.54 1ip9 s ASN 49 Ca 0.03 -1.70 -0.03 0.00 -1.57 0.00 0.00 52.86 49.59 1ip9 s ASN 49 Cb 0.02 -1.33 -0.00 0.00 -0.02 0.00 0.00 41.25 39.92 1ip9 s ASN 49 CO 0.04 -0.33 0.05 0.72 -2.57 0.00 0.00 177.10 175.02 1ip9 s PHE 50 N 1.21 0.05 -0.24 2.20 -0.71 -1.26 -1.36 117.98 117.88 1ip9 s PHE 50 Ca 0.04 -0.09 -0.15 0.00 -1.04 0.00 0.00 56.93 55.69 1ip9 s PHE 50 Cb -0.19 -0.05 -0.04 0.00 -1.21 0.00 0.00 43.02 41.53 1ip9 s PHE 50 CO -0.11 -0.13 0.36 0.15 -1.34 0.00 0.00 175.22 174.15 1ip9 s LYS 51 N -0.70 4.09 -0.14 1.99 1.02 -0.45 -4.82 119.74 120.73 1ip9 s LYS 51 Ca -0.08 0.08 -0.06 0.00 0.02 0.00 0.00 55.97 55.94 1ip9 s LYS 51 Cb -0.05 -3.59 -0.04 0.00 -0.52 0.00 0.00 37.83 33.63 1ip9 s LYS 51 CO 0.00 -0.14 0.06 -0.51 -0.92 0.00 0.00 175.35 173.84 1ip9 s LEU 52 N 1.65 3.90 0.29 3.17 1.43 -1.26 -1.46 118.68 126.39 1ip9 s LEU 52 Ca 0.16 0.20 0.03 0.00 -1.03 0.00 0.00 54.13 53.49 1ip9 s LEU 52 Cb -0.15 -1.95 -0.04 0.00 0.03 0.00 0.00 46.19 44.08 1ip9 s LEU 52 CO 0.08 0.30 0.15 -1.10 0.23 0.00 0.00 176.35 176.02 1ip9 s GLN 53 N -0.38 1.54 -1.21 1.70 1.11 -0.77 -0.58 119.66 121.06 1ip9 s GLN 53 Ca 0.09 -1.87 -0.17 0.00 0.01 0.00 0.00 55.36 53.42 1ip9 s GLN 53 Cb -0.12 -0.06 0.10 0.00 -1.01 0.00 0.00 33.01 31.92 1ip9 s GLN 53 CO 0.02 -0.43 1.57 0.95 0.01 0.00 0.00 175.29 177.40 1ip9 s THR 54 N -3.68 4.43 -0.38 -0.19 -4.23 -0.42 -1.15 115.64 110.03 1ip9 s THR 54 Ca 0.36 -1.99 -0.34 0.00 -1.18 0.00 0.00 61.69 58.54 1ip9 s THR 54 Cb 0.05 -5.06 -0.15 0.00 1.34 0.00 0.00 72.50 68.68 1ip9 s THR 54 CO 0.17 -1.85 1.46 1.17 -0.54 0.00 0.00 174.62 175.03 1ip9 n LYS 55 N 7.45 0.00 0.00 3.99 0.00 0.74 -2.01 118.16 128.33 1ip9 n LYS 55 Ca 0.42 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.73 1ip9 n LYS 55 Cb 0.46 -1.13 0.00 0.00 0.00 0.00 0.00 35.03 34.35 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 4.66 0.16 0.00 3.14 4.77 -1.26 -4.17 117.00 124.31 1ip9 n LEU 56 Ca 0.35 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.33 1ip9 n LEU 56 Cb -0.04 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.05 1ip9 n LEU 56 CO 0.67 0.00 0.00 0.49 -1.33 0.00 0.00 177.39 177.22 1ip9 n PHE 57 N -0.53 0.00 0.02 -1.77 3.01 -1.26 -4.94 117.46 111.99 1ip9 n PHE 57 Ca 0.00 0.00 -0.09 0.00 1.01 0.00 0.00 57.45 58.37 1ip9 n PHE 57 Cb 0.00 0.00 -0.13 0.00 -0.01 0.00 0.00 39.48 39.34 1ip9 n PHE 57 CO 0.00 0.00 0.00 0.38 1.01 0.00 0.00 176.76 178.15 1ip9 h ASP 58 N 0.00 0.04 0.00 4.37 2.03 -2.00 -3.48 116.42 117.39 1ip9 h ASP 58 Ca 0.00 -0.06 0.00 0.00 -0.73 0.00 0.00 57.03 56.24 1ip9 h ASP 58 Cb 0.00 -0.01 0.00 0.00 -0.83 0.00 0.00 39.33 38.49 1ip9 h ASP 58 CO 0.00 1.05 0.00 0.61 -1.03 0.00 0.00 179.24 179.87 1ip9 n GLY 59 N 1.47 -1.87 3.82 7.15 0.00 -1.26 -5.17 105.19 109.34 1ip9 n GLY 59 Ca -0.09 0.59 -0.06 0.00 0.00 0.00 0.00 46.02 46.45 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 -1.38 -0.24 0.00 1.61 1.04 -1.26 -4.52 113.70 108.95 1ip9 s SER 60 Ca 0.00 -0.53 0.00 0.00 0.48 0.00 0.00 55.95 55.90 1ip9 s SER 60 Cb 0.00 0.65 0.00 0.00 0.10 0.00 0.00 66.02 66.77 1ip9 s SER 60 CO 0.00 -1.20 0.00 0.61 0.98 0.00 0.00 173.24 173.63 1ip9 n GLY 61 N -0.46 5.29 3.57 7.32 0.00 -0.85 -4.53 105.19 115.53 1ip9 n GLY 61 Ca -0.05 -1.47 -0.54 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 1.11 -2.00 1.61 4.71 -1.26 -4.01 120.64 120.81 1ip9 n GLU 62 Ca 0.00 0.37 -0.27 0.00 -0.01 0.00 0.00 57.16 57.24 1ip9 n GLU 62 Cb 0.00 -2.24 -0.05 0.00 -1.01 0.00 0.00 31.44 28.14 1ip9 n GLU 62 CO 0.00 0.00 0.00 -2.00 0.09 0.00 0.00 177.13 175.22 1ip9 s GLU 63 N 4.88 2.47 -0.04 3.49 2.12 -1.26 -1.30 118.70 129.07 1ip9 s GLU 63 Ca 1.04 -0.06 -0.40 0.00 0.36 0.00 0.00 54.97 55.92 1ip9 s GLU 63 Cb -0.99 -4.93 -0.19 0.00 0.26 0.00 0.00 34.13 28.28 1ip9 s GLU 63 CO 0.58 -3.38 1.21 -0.89 -0.54 0.00 0.00 175.26 172.24 1ip9 n ILE 64 N 7.86 0.01 -1.95 -3.70 -0.00 0.25 -4.81 119.36 117.03 1ip9 n ILE 64 Ca 0.38 -0.00 0.00 0.00 -0.00 0.00 0.00 62.75 63.13 1ip9 n ILE 64 Cb 0.47 -0.28 0.00 0.00 -0.00 0.00 0.00 39.64 39.84 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 2.10 0.00 -3.66 0.38 4.76 -1.26 -4.50 118.16 115.98 1ip9 n LYS 65 Ca 0.21 -0.48 -0.15 0.00 -2.87 0.00 0.00 58.31 55.02 1ip9 n LYS 65 Cb 0.09 -0.25 -0.08 0.00 -1.84 0.00 0.00 35.03 32.95 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 0.61 -0.18 -4.23 -1.26 -4.99 115.64 105.60 1ip9 s THR 66 Ca 0.00 -0.10 0.26 0.00 -1.18 0.00 0.00 61.69 60.68 1ip9 s THR 66 Cb 0.00 -0.80 0.35 0.00 1.34 0.00 0.00 72.50 73.39 1ip9 s THR 66 CO 0.00 -0.05 1.65 0.44 -0.54 0.00 0.00 174.62 176.11 1ip9 h ASP 67 N 4.36 0.00 0.00 3.99 3.32 -1.92 0.45 116.42 126.63 1ip9 h ASP 67 Ca -0.28 0.00 -0.13 0.00 0.02 0.00 0.00 57.03 56.64 1ip9 h ASP 67 Cb 1.16 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.72 1ip9 h ASP 67 CO 0.27 0.00 -0.51 0.28 -1.72 0.00 0.00 179.24 177.56 1ip9 h SER 68 N 0.00 0.44 -0.41 6.45 0.02 -1.96 -1.86 113.55 116.23 1ip9 h SER 68 Ca 0.26 -0.78 0.01 0.00 -0.84 0.00 0.00 61.79 60.45 1ip9 h SER 68 Cb 1.74 -0.13 -0.02 0.00 0.14 0.00 0.00 62.40 64.13 1ip9 h SER 68 CO -0.00 1.16 0.27 1.56 -1.14 0.00 0.00 176.83 178.68 1ip9 h GLN 69 N -0.23 0.53 0.08 3.45 1.08 -0.50 0.29 115.11 119.81 1ip9 h GLN 69 Ca -0.06 -0.03 -0.00 0.00 -1.45 0.00 0.00 58.65 57.10 1ip9 h GLN 69 Cb 1.24 -0.12 0.00 0.00 -0.05 0.00 0.00 27.48 28.55 1ip9 h GLN 69 CO 0.10 0.35 -0.04 0.28 -0.95 0.00 0.00 178.83 178.57 1ip9 h VAL 70 N 0.55 1.17 -0.01 -0.54 2.07 -1.39 -0.69 116.25 117.40 1ip9 h VAL 70 Ca 0.15 -1.26 0.00 0.00 0.82 0.00 0.00 66.70 66.42 1ip9 h VAL 70 Cb -0.04 1.94 -0.00 0.00 -1.52 0.00 0.00 31.29 31.67 1ip9 h VAL 70 CO -0.03 0.29 0.06 -1.28 0.02 0.00 0.00 177.57 176.63 1ip9 h SER 71 N -0.72 0.00 0.14 0.57 0.87 -0.97 0.49 113.55 113.92 1ip9 h SER 71 Ca -0.01 0.00 -0.19 0.00 -1.23 0.00 0.00 61.79 60.36 1ip9 h SER 71 Cb 0.57 0.00 0.02 0.00 -0.44 0.00 0.00 62.40 62.55 1ip9 h SER 71 CO 0.02 0.00 -0.82 -1.13 -0.53 0.00 0.00 176.83 174.37 1ip9 h ASN 72 N 0.00 0.48 0.57 6.23 -0.73 -0.72 -0.23 115.58 121.17 1ip9 h ASN 72 Ca 0.01 -0.95 0.00 0.00 1.87 0.00 0.00 56.30 57.23 1ip9 h ASN 72 Cb 0.13 -0.15 0.00 0.00 0.27 0.00 0.00 38.32 38.57 1ip9 h ASN 72 CO -0.00 1.39 0.00 -0.38 -0.37 0.00 0.00 177.43 178.07 1ip9 n ILE 73 N -4.12 0.96 0.05 2.57 -0.00 0.02 -0.86 119.36 117.97 1ip9 n ILE 73 Ca -0.14 0.26 -0.21 0.00 -0.00 0.00 0.00 62.75 62.67 1ip9 n ILE 73 Cb 0.82 -1.10 -0.14 0.00 -0.00 0.00 0.00 39.64 39.21 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 0.87 0.00 1.39 2.04 0.12 0.92 117.51 122.85 1ip9 h ILE 74 Ca 0.00 -2.52 -0.02 0.00 1.00 0.00 0.00 64.86 63.32 1ip9 h ILE 74 Cb 0.29 2.66 -0.00 0.00 -0.74 0.00 0.00 36.82 39.03 1ip9 h ILE 74 CO 0.00 0.85 -0.47 1.56 0.00 0.00 0.00 178.15 180.09 1ip9 h GLN 75 N 0.08 0.00 -0.01 2.37 4.20 -0.47 -3.27 115.11 118.01 1ip9 h GLN 75 Ca -0.35 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.36 1ip9 h GLN 75 Cb 2.06 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.84 1ip9 h GLN 75 CO 0.14 0.08 -0.03 0.00 -0.67 0.00 0.00 178.83 178.35 1ip9 n ALA 76 N -2.16 2.53 -3.29 3.87 0.00 -0.04 -5.04 120.51 116.38 1ip9 n ALA 76 Ca 0.02 -0.55 -0.25 0.00 0.00 0.00 0.00 53.44 52.65 1ip9 n ALA 76 Cb 0.58 -0.33 0.03 0.00 0.00 0.00 0.00 19.45 19.73 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 0.43 -1.82 -4.33 0.00 4.81 0.22 -4.93 118.16 112.54 1ip9 n LYS 77 Ca 0.05 1.52 -0.34 0.00 -0.87 0.00 0.00 58.31 58.67 1ip9 n LYS 77 Cb 0.24 -2.71 -0.10 0.00 0.02 0.00 0.00 35.03 32.48 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 -2.19 3.51 0.41 3.14 2.01 -0.62 -5.00 118.68 119.94 1ip9 s LEU 78 Ca 0.28 0.05 -0.27 0.00 0.01 0.00 0.00 54.13 54.20 1ip9 s LEU 78 Cb -0.04 -1.83 -0.10 0.00 0.01 0.00 0.00 46.19 44.24 1ip9 s LEU 78 CO 0.71 0.28 1.45 -0.54 1.01 0.00 0.00 176.35 179.26 1ip9 s LYS 79 N -0.29 3.90 0.09 1.70 1.02 -1.26 -4.60 119.74 120.30 1ip9 s LYS 79 Ca 0.06 2.49 0.07 0.00 0.02 0.00 0.00 55.97 58.60 1ip9 s LYS 79 Cb -0.12 -2.81 -0.04 0.00 -0.52 0.00 0.00 37.83 34.34 1ip9 s LYS 79 CO 0.02 -0.67 -0.10 0.42 -0.92 0.00 0.00 175.35 174.10 1ip9 s ILE 80 N -1.16 3.40 0.11 2.17 -1.09 -0.49 0.26 121.20 124.39 1ip9 s ILE 80 Ca 0.57 -1.21 0.07 0.00 -2.23 0.00 0.00 60.65 57.85 1ip9 s ILE 80 Cb -0.45 -2.57 -0.04 0.00 -1.58 0.00 0.00 42.46 37.82 1ip9 s ILE 80 CO 0.59 0.15 -0.07 -0.94 -1.23 0.00 0.00 174.94 173.44 1ip9 s SER 81 N -2.11 4.58 -0.07 3.58 1.04 -0.30 0.21 113.70 120.63 1ip9 s SER 81 Ca 0.21 -0.34 -0.00 0.00 0.48 0.00 0.00 55.95 56.30 1ip9 s SER 81 Cb -0.11 -0.94 0.02 0.00 0.10 0.00 0.00 66.02 65.09 1ip9 s SER 81 CO 0.13 0.17 -0.04 -0.69 0.98 0.00 0.00 173.24 173.79 1ip9 s VAL 82 N -1.29 0.63 0.27 5.02 1.01 -0.73 -1.85 120.40 123.46 1ip9 s VAL 82 Ca 0.23 -0.09 0.09 0.00 0.00 0.00 0.00 61.98 62.22 1ip9 s VAL 82 Cb -0.11 -0.70 -0.04 0.00 0.00 0.00 0.00 36.38 35.53 1ip9 s VAL 82 CO 0.15 0.28 0.00 -1.00 0.00 0.00 0.00 175.10 174.54 1ip9 s HIS 83 N 1.52 2.71 -0.06 5.22 3.76 -0.54 -2.33 115.29 125.57 1ip9 s HIS 83 Ca -0.01 -0.22 -0.13 0.00 -0.15 0.00 0.00 55.06 54.56 1ip9 s HIS 83 Cb -0.13 -1.20 -0.05 0.00 1.11 0.00 0.00 32.58 32.31 1ip9 s HIS 83 CO -0.04 0.62 0.32 -0.51 -0.85 0.00 0.00 174.74 174.28 1ip9 s ASP 84 N -3.68 6.64 0.00 1.40 1.01 -1.26 -1.35 116.67 119.43 1ip9 s ASP 84 Ca 0.31 0.76 0.00 0.00 0.71 0.00 0.00 52.55 54.34 1ip9 s ASP 84 Cb -0.06 -2.20 0.00 0.00 1.01 0.00 0.00 42.92 41.67 1ip9 s ASP 84 CO 0.20 0.30 0.00 2.30 0.21 0.00 0.00 175.17 178.18