#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 0.00 -1.90 4.61 0.00 -1.26 -4.96 120.51 117.00 1ip9 n ALA 2 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1ip9 n ALA 2 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 -0.86 0.00 -4.60 0.00 0.00 -1.26 -5.09 117.12 105.31 1ip9 n MET 3 Ca 0.00 -0.96 -0.32 0.00 -0.00 0.00 0.00 57.70 56.43 1ip9 n MET 3 Cb 0.00 -0.50 -0.06 0.00 0.00 0.00 0.00 33.22 32.65 1ip9 n MET 3 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 175.97 176.17 1ip9 s GLY 4 N -0.91 2.90 0.14 -5.12 0.00 -1.26 -5.16 107.32 97.91 1ip9 s GLY 4 Ca 0.00 -0.56 0.02 0.00 0.00 0.00 0.00 44.72 44.18 1ip9 s GLY 4 CO 0.00 -2.15 0.16 1.44 0.00 0.00 0.00 173.10 172.55 1ip9 n SER 5 N -1.35 0.80 -3.52 1.64 7.64 -1.26 -5.07 113.62 112.50 1ip9 n SER 5 Ca -0.16 -1.39 -0.09 0.00 1.01 0.00 0.00 58.87 58.23 1ip9 n SER 5 Cb 0.66 -0.07 -0.02 0.00 -1.01 0.00 0.00 64.21 63.77 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 -1.83 -0.43 -0.00 6.43 1.04 -1.26 -5.07 113.70 112.58 1ip9 s SER 6 Ca 0.12 -0.09 0.02 0.00 0.48 0.00 0.00 55.95 56.48 1ip9 s SER 6 Cb -0.01 0.53 -0.03 0.00 0.10 0.00 0.00 66.02 66.60 1ip9 s SER 6 CO 0.08 -0.88 -0.04 -0.89 0.98 0.00 0.00 173.24 172.49 1ip9 s THR 7 N -3.50 3.88 0.28 2.02 2.01 -1.26 -5.10 115.64 113.97 1ip9 s THR 7 Ca 0.04 -0.68 -0.25 0.00 0.31 0.00 0.00 61.69 61.12 1ip9 s THR 7 Cb -0.02 -2.70 -0.09 0.00 0.01 0.00 0.00 72.50 69.70 1ip9 s THR 7 CO -0.08 0.40 0.88 -0.55 -0.69 0.00 0.00 174.62 174.57 1ip9 s SER 8 N -1.44 7.32 -0.30 3.53 0.15 -1.26 -5.02 113.70 116.67 1ip9 s SER 8 Ca 0.18 1.74 -0.11 0.00 0.70 0.00 0.00 55.95 58.46 1ip9 s SER 8 Cb -0.11 -2.54 0.19 0.00 -1.71 0.00 0.00 66.02 61.84 1ip9 s SER 8 CO 0.08 0.01 1.04 -0.83 1.20 0.00 0.00 173.24 174.74 1ip9 s GLY 9 N -1.53 -1.00 0.38 9.45 0.00 -1.26 -5.05 107.32 108.32 1ip9 s GLY 9 Ca 0.46 2.00 0.04 0.00 0.00 0.00 0.00 44.72 47.22 1ip9 s GLY 9 CO 0.24 4.12 0.06 -2.27 0.00 0.00 0.00 173.10 175.25 1ip9 s LEU 10 N 2.85 2.28 0.48 0.66 2.96 -1.26 -4.60 118.68 122.04 1ip9 s LEU 10 Ca 0.26 -1.47 0.00 0.00 -0.22 0.00 0.00 54.13 52.70 1ip9 s LEU 10 Cb -0.01 -0.46 0.00 0.00 0.50 0.00 0.00 46.19 46.22 1ip9 s LEU 10 CO -0.22 -0.68 0.00 0.29 -1.32 0.00 0.00 176.35 174.42 1ip9 n LYS 11 N -0.86 -3.98 -2.68 1.98 4.76 -1.26 -4.77 118.16 111.35 1ip9 n LYS 11 Ca -0.06 2.99 -0.42 0.00 -2.87 0.00 0.00 58.31 57.95 1ip9 n LYS 11 Cb 0.66 -3.43 -0.03 0.00 -1.84 0.00 0.00 35.03 30.40 1ip9 n LYS 11 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 1ip9 s THR 12 N -3.64 4.77 -0.08 -0.18 -4.23 -1.26 -4.66 115.64 106.36 1ip9 s THR 12 Ca 0.00 2.04 -0.28 0.00 -1.18 0.00 0.00 61.69 62.27 1ip9 s THR 12 Cb 0.00 -4.31 -0.02 0.00 1.34 0.00 0.00 72.50 69.51 1ip9 s THR 12 CO 0.00 -0.01 0.90 -0.89 -0.54 0.00 0.00 174.62 174.08 1ip9 s THR 13 N 2.10 4.88 -0.46 3.99 2.01 -0.65 -4.72 115.64 122.79 1ip9 s THR 13 Ca 0.48 1.84 -0.24 0.00 0.31 0.00 0.00 61.69 64.09 1ip9 s THR 13 Cb -0.18 -4.23 0.03 0.00 0.01 0.00 0.00 72.50 68.13 1ip9 s THR 13 CO 0.17 0.10 0.83 -0.75 -0.69 0.00 0.00 174.62 174.28 1ip9 s LYS 14 N 1.53 3.43 -0.02 4.92 2.36 -1.26 -2.23 119.74 128.46 1ip9 s LYS 14 Ca 0.45 -0.06 0.07 0.00 -2.55 0.00 0.00 55.97 53.88 1ip9 s LYS 14 Cb -0.19 -3.95 -0.02 0.00 -1.05 0.00 0.00 37.83 32.63 1ip9 s LYS 14 CO 0.20 -1.18 -0.24 0.42 1.55 0.00 0.00 175.35 176.10 1ip9 s ILE 15 N 3.46 1.86 -0.20 5.43 1.01 -0.80 -4.87 121.20 127.09 1ip9 s ILE 15 Ca 0.31 -1.00 -0.04 0.00 0.00 0.00 0.00 60.65 59.92 1ip9 s ILE 15 Cb -0.12 -1.55 -0.01 0.00 0.01 0.00 0.00 42.46 40.79 1ip9 s ILE 15 CO 0.23 0.53 -0.04 -0.54 0.00 0.00 0.00 174.94 175.12 1ip9 s LYS 16 N -0.52 3.46 0.60 2.79 -0.14 -1.26 -0.51 119.74 124.16 1ip9 s LYS 16 Ca 0.08 -0.60 -0.05 0.00 -1.36 0.00 0.00 55.97 54.04 1ip9 s LYS 16 Cb -0.09 -2.99 0.02 0.00 -1.68 0.00 0.00 37.83 33.08 1ip9 s LYS 16 CO -0.01 -0.08 0.91 -0.06 -0.76 0.00 0.00 175.35 175.35 1ip9 s PHE 17 N 1.20 3.18 -0.50 3.18 0.40 0.09 -0.63 117.98 124.90 1ip9 s PHE 17 Ca 0.03 0.57 0.07 0.00 -0.60 0.00 0.00 56.93 56.99 1ip9 s PHE 17 Cb -0.14 -2.80 0.24 0.00 0.51 0.00 0.00 43.02 40.83 1ip9 s PHE 17 CO -0.01 -0.91 0.60 0.66 0.70 0.00 0.00 175.22 176.26 1ip9 n TYR 18 N -2.61 1.27 -2.33 0.36 4.02 0.53 -2.70 117.16 115.69 1ip9 n TYR 18 Ca 0.05 -3.80 -0.43 0.00 -0.01 0.00 0.00 57.90 53.71 1ip9 n TYR 18 Cb 0.58 -0.41 -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 -1.62 2.46 0.00 -0.72 5.04 -0.83 -1.48 117.35 120.19 1ip9 s TYR 19 Ca 0.36 0.74 0.00 0.00 -2.44 0.00 0.00 57.07 55.73 1ip9 s TYR 19 Cb 0.15 -4.07 0.00 0.00 0.35 0.00 0.00 41.96 38.38 1ip9 s TYR 19 CO -0.08 -2.05 0.00 1.63 -1.34 0.00 0.00 175.55 173.71 1ip9 n LYS 20 N 7.69 0.00 0.00 4.97 5.02 -1.00 -1.42 118.16 133.41 1ip9 n LYS 20 Ca 0.16 0.00 0.14 0.00 -2.02 0.00 0.00 58.31 56.59 1ip9 n LYS 20 Cb 0.47 0.00 0.59 0.00 -0.02 0.00 0.00 35.03 36.07 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 -0.43 0.15 -4.94 4.39 9.92 -1.26 -4.83 116.55 119.55 1ip9 n ASP 21 Ca 0.00 0.07 -0.24 0.00 -0.53 0.00 0.00 54.79 54.09 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 -0.62 0.13 0.00 0.00 177.20 176.71 1ip9 s ASP 22 N -2.82 6.23 -0.01 -2.24 -1.08 -0.51 -5.11 116.67 111.13 1ip9 s ASP 22 Ca 0.19 0.51 -0.09 0.00 -0.52 0.00 0.00 52.55 52.65 1ip9 s ASP 22 Cb 0.19 -2.00 0.01 0.00 -1.46 0.00 0.00 42.92 39.66 1ip9 s ASP 22 CO 0.53 -0.40 0.18 -0.63 0.52 0.00 0.00 175.17 175.37 1ip9 s ILE 23 N -2.43 0.07 0.06 4.11 1.01 -1.26 -1.96 121.20 120.81 1ip9 s ILE 23 Ca 0.42 -0.60 0.01 0.00 0.00 0.00 0.00 60.65 60.49 1ip9 s ILE 23 Cb -0.10 -0.46 -0.01 0.00 0.01 0.00 0.00 42.46 41.90 1ip9 s ILE 23 CO 0.38 -0.33 0.06 2.22 0.00 0.00 0.00 174.94 177.27 1ip9 n PHE 24 N 1.51 -0.17 -4.29 3.97 -1.74 -1.10 -4.96 117.46 110.69 1ip9 n PHE 24 Ca -0.22 -0.54 -0.17 0.00 -0.56 0.00 0.00 57.45 55.96 1ip9 n PHE 24 Cb 0.56 0.06 -0.09 0.00 1.52 0.00 0.00 39.48 41.52 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 -2.25 1.72 -0.22 1.98 0.00 -1.26 -0.73 121.76 121.00 1ip9 s ALA 25 Ca 0.08 -1.81 -0.19 0.00 0.00 0.00 0.00 51.96 50.04 1ip9 s ALA 25 Cb 0.00 1.28 0.06 0.00 0.00 0.00 0.00 23.12 24.47 1ip9 s ALA 25 CO 0.05 -0.56 0.58 -1.17 0.00 0.00 0.00 175.76 174.66 1ip9 s LEU 26 N -3.32 -0.28 -0.41 0.00 2.96 0.34 -4.89 118.68 113.08 1ip9 s LEU 26 Ca 0.38 1.18 -0.10 0.00 -0.22 0.00 0.00 54.13 55.37 1ip9 s LEU 26 Cb 0.05 1.98 0.07 0.00 0.50 0.00 0.00 46.19 48.79 1ip9 s LEU 26 CO 0.18 -0.20 0.25 -0.04 -1.32 0.00 0.00 176.35 175.22 1ip9 s MET 27 N 0.52 2.67 -0.28 1.98 -1.94 -1.26 -1.90 119.30 119.10 1ip9 s MET 27 Ca -0.02 -1.36 -0.25 0.00 -1.71 0.00 0.00 55.69 52.35 1ip9 s MET 27 Cb -0.04 -3.78 0.00 0.00 2.01 0.00 0.00 34.83 33.02 1ip9 s MET 27 CO -0.02 -0.89 0.86 -0.51 -0.01 0.00 0.00 175.02 174.44 1ip9 s LEU 28 N 1.46 4.06 0.00 -0.03 2.01 -0.95 -4.74 118.68 120.50 1ip9 s LEU 28 Ca 0.03 0.89 0.26 0.00 0.01 0.00 0.00 54.13 55.32 1ip9 s LEU 28 Cb -0.22 -3.21 1.32 0.00 0.01 0.00 0.00 46.19 44.09 1ip9 s LEU 28 CO 0.03 -0.62 1.88 0.29 1.01 0.00 0.00 176.35 178.94 1ip9 n LYS 29 N 6.24 0.39 0.00 1.70 4.01 -1.26 -1.63 118.16 127.60 1ip9 n LYS 29 Ca 0.06 0.04 0.00 0.00 -0.51 0.00 0.00 58.31 57.90 1ip9 n LYS 29 Cb 0.48 -1.50 0.00 0.00 -0.51 0.00 0.00 35.03 33.50 1ip9 n LYS 29 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1ip9 n GLY 30 N 0.91 1.77 0.01 0.72 0.00 -1.26 -4.63 105.19 102.70 1ip9 n GLY 30 Ca 0.13 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.25 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 0.45 -4.68 1.61 5.68 -1.26 -4.95 116.55 113.39 1ip9 n ASP 31 Ca 0.00 -0.39 -0.57 0.00 -0.50 0.00 0.00 54.79 53.32 1ip9 n ASP 31 Cb 0.00 1.59 -0.07 0.00 -1.14 0.00 0.00 41.12 41.50 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 -1.94 0.20 -3.21 2.12 -1.04 -1.26 -4.94 114.28 104.20 1ip9 n THR 32 Ca -0.01 -0.04 -0.08 0.00 -2.04 0.00 0.00 64.05 61.88 1ip9 n THR 32 Cb 0.47 -1.02 0.02 0.00 -1.82 0.00 0.00 70.33 67.97 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 3.97 0.00 0.08 12.58 -2.24 -1.26 -4.59 114.28 122.83 1ip9 n THR 33 Ca 0.25 -0.79 -0.18 0.00 -2.27 0.00 0.00 64.05 61.06 1ip9 n THR 33 Cb 0.12 -0.66 -0.10 0.00 -2.10 0.00 0.00 70.33 67.59 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 0.20 0.78 -0.06 4.78 3.20 -1.85 -1.66 116.97 122.35 1ip9 h TYR 34 Ca -0.12 -0.48 -0.24 0.00 3.14 0.00 0.00 58.73 61.04 1ip9 h TYR 34 Cb 0.49 -0.07 0.01 0.00 1.54 0.00 0.00 36.73 38.71 1ip9 h TYR 34 CO 0.00 1.33 -0.91 0.87 -1.64 0.00 0.00 178.16 177.81 1ip9 h LYS 35 N 0.23 0.67 0.13 1.82 1.57 -1.95 -1.29 116.57 117.75 1ip9 h LYS 35 Ca -0.14 -0.64 0.00 0.00 -1.87 0.00 0.00 60.65 58.01 1ip9 h LYS 35 Cb 1.80 0.16 -0.01 0.00 0.08 0.00 0.00 32.23 34.26 1ip9 h LYS 35 CO 0.21 1.24 -0.13 1.49 -0.57 0.00 0.00 179.45 181.68 1ip9 h GLU 36 N 0.42 -0.28 -0.83 3.15 4.57 -1.93 0.10 114.58 119.77 1ip9 h GLU 36 Ca -0.09 0.02 0.17 0.00 -1.18 0.00 0.00 59.36 58.28 1ip9 h GLU 36 Cb 1.54 0.06 -0.11 0.00 -0.16 0.00 0.00 28.75 30.09 1ip9 h GLU 36 CO 0.18 -0.19 0.36 1.25 -1.18 0.00 0.00 179.01 179.43 1ip9 h LEU 37 N -0.29 0.35 -1.12 1.64 7.12 -1.26 0.53 115.31 122.27 1ip9 h LEU 37 Ca 0.00 0.12 0.08 0.00 0.13 0.00 0.00 57.88 58.21 1ip9 h LEU 37 Cb 0.28 0.09 -0.06 0.00 -0.53 0.00 0.00 40.66 40.43 1ip9 h LEU 37 CO -0.04 0.09 0.60 -0.09 -0.13 0.00 0.00 178.44 178.88 1ip9 h ARG 38 N 0.47 0.99 0.00 1.25 2.43 0.19 0.11 114.38 119.82 1ip9 h ARG 38 Ca 0.48 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.59 1ip9 h ARG 38 Cb 0.78 -0.22 0.00 0.00 -0.42 0.00 0.00 29.97 30.11 1ip9 h ARG 38 CO -0.44 0.65 -0.08 0.77 -1.51 0.00 0.00 179.97 179.36 1ip9 h SER 39 N 1.02 0.00 0.73 -3.80 0.02 0.14 -0.91 113.55 110.75 1ip9 h SER 39 Ca 0.41 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 61.35 1ip9 h SER 39 Cb 0.27 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.81 1ip9 h SER 39 CO -0.17 0.01 -0.80 0.29 -1.14 0.00 0.00 176.83 175.02 1ip9 n LYS 40 N -2.54 0.32 -0.08 3.45 4.01 0.31 -4.24 118.16 119.39 1ip9 n LYS 40 Ca 0.05 0.06 -0.10 0.00 -0.51 0.00 0.00 58.31 57.80 1ip9 n LYS 40 Cb 0.47 -1.67 -0.09 0.00 -0.51 0.00 0.00 35.03 33.23 1ip9 n LYS 40 CO 0.00 0.00 0.00 -0.89 -1.11 0.00 0.00 177.40 175.40 1ip9 n ILE 41 N -2.12 1.00 -0.36 -0.18 5.41 0.15 -4.32 119.36 118.94 1ip9 n ILE 41 Ca 0.02 -0.46 0.01 0.00 1.00 0.00 0.00 62.75 63.33 1ip9 n ILE 41 Cb 0.45 -0.96 0.07 0.00 -0.71 0.00 0.00 39.64 38.50 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 -2.84 0.01 0.10 -1.39 0.00 -0.35 0.97 120.51 117.00 1ip9 n ALA 42 Ca -0.29 1.00 -0.04 0.00 0.00 0.00 0.00 53.44 54.12 1ip9 n ALA 42 Cb 0.88 -0.51 0.13 0.00 0.00 0.00 0.00 19.45 19.95 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 0.17 0.00 0.00 0.13 -1.78 -0.80 132.00 129.72 1ip9 h PRO 43 Ca 0.38 -0.12 0.00 0.00 -0.87 0.00 0.00 66.00 65.39 1ip9 h PRO 43 Cb 0.63 0.02 0.00 0.00 0.13 0.00 0.00 31.00 31.77 1ip9 h PRO 43 CO -0.97 0.73 0.00 0.54 -0.23 0.00 0.00 178.00 178.07 1ip9 n ARG 44 N -3.85 0.67 -0.05 0.86 5.12 0.27 -3.01 116.66 116.67 1ip9 n ARG 44 Ca -0.02 0.02 -0.05 0.00 -1.93 0.00 0.00 57.85 55.86 1ip9 n ARG 44 Cb 0.62 -1.50 -0.08 0.00 -1.16 0.00 0.00 32.46 30.34 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 -1.10 0.73 -0.46 0.55 5.41 0.14 -4.98 119.36 119.66 1ip9 n ILE 45 Ca 0.17 -0.45 0.00 0.00 1.00 0.00 0.00 62.75 63.48 1ip9 n ILE 45 Cb 0.13 -0.73 0.00 0.00 -0.71 0.00 0.00 39.64 38.33 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 -2.42 -1.17 -3.33 4.38 8.00 -0.38 -5.02 116.55 116.62 1ip9 n ASP 46 Ca -0.18 0.00 -0.14 0.00 0.71 0.00 0.00 54.79 55.18 1ip9 n ASP 46 Cb 0.84 -0.19 -0.04 0.00 -0.02 0.00 0.00 41.12 41.71 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 -2.14 0.00 -0.59 -3.53 -1.32 -0.85 -5.02 115.64 102.19 1ip9 s THR 47 Ca 0.00 -1.59 0.06 0.00 -1.21 0.00 0.00 61.69 58.95 1ip9 s THR 47 Cb 0.00 -2.60 0.01 0.00 -1.51 0.00 0.00 72.50 68.40 1ip9 s THR 47 CO 0.00 0.00 0.54 -0.67 -2.21 0.00 0.00 174.62 172.28 1ip9 n ASP 48 N -1.30 1.11 -4.08 8.08 -0.08 -1.26 -4.15 116.55 114.87 1ip9 n ASP 48 Ca 0.01 -1.05 -0.32 0.00 -1.51 0.00 0.00 54.79 51.91 1ip9 n ASP 48 Cb 0.62 0.31 -0.15 0.00 2.34 0.00 0.00 41.12 44.24 1ip9 n ASP 48 CO 0.00 0.00 0.00 0.20 0.12 0.00 0.00 177.20 177.52 1ip9 s ASN 49 N -0.81 4.25 -0.03 1.67 0.02 -1.26 -4.94 114.94 113.83 1ip9 s ASN 49 Ca 0.05 -1.29 -0.13 0.00 -1.02 0.00 0.00 52.86 50.48 1ip9 s ASN 49 Cb 0.05 -1.54 0.02 0.00 0.02 0.00 0.00 41.25 39.80 1ip9 s ASN 49 CO 0.12 -0.16 0.29 0.72 0.02 0.00 0.00 177.10 178.09 1ip9 s PHE 50 N 1.13 -0.19 -0.27 2.20 -0.71 -1.26 -1.78 117.98 117.11 1ip9 s PHE 50 Ca -0.07 0.34 -0.17 0.00 -1.04 0.00 0.00 56.93 55.99 1ip9 s PHE 50 Cb -0.19 0.08 -0.03 0.00 -1.21 0.00 0.00 43.02 41.68 1ip9 s PHE 50 CO -0.06 -0.33 0.46 0.21 -1.34 0.00 0.00 175.22 174.16 1ip9 s LYS 51 N -1.02 4.00 -0.18 1.99 2.20 -0.22 -4.79 119.74 121.73 1ip9 s LYS 51 Ca -0.11 0.17 -0.08 0.00 -0.36 0.00 0.00 55.97 55.59 1ip9 s LYS 51 Cb -0.05 -3.67 -0.04 0.00 -1.51 0.00 0.00 37.83 32.56 1ip9 s LYS 51 CO 0.03 -0.35 0.09 -0.51 -0.36 0.00 0.00 175.35 174.25 1ip9 s LEU 52 N 2.23 4.02 0.29 5.43 1.43 -1.26 -0.98 118.68 129.84 1ip9 s LEU 52 Ca 0.19 0.18 0.02 0.00 -1.03 0.00 0.00 54.13 53.49 1ip9 s LEU 52 Cb -0.16 -2.02 -0.05 0.00 0.03 0.00 0.00 46.19 44.00 1ip9 s LEU 52 CO 0.10 0.21 0.12 -1.10 0.23 0.00 0.00 176.35 175.91 1ip9 s GLN 53 N 0.16 1.52 -1.09 1.70 -0.21 -0.63 -1.52 119.66 119.60 1ip9 s GLN 53 Ca 0.07 -1.85 -0.17 0.00 0.02 0.00 0.00 55.36 53.42 1ip9 s GLN 53 Cb -0.12 -0.26 0.13 0.00 1.00 0.00 0.00 33.01 33.76 1ip9 s GLN 53 CO -0.00 -0.36 1.36 0.95 -2.12 0.00 0.00 175.29 175.12 1ip9 s THR 54 N -3.64 4.67 -0.37 -0.19 -4.23 -0.96 -1.24 115.64 109.67 1ip9 s THR 54 Ca 0.36 -1.91 -0.20 0.00 -1.18 0.00 0.00 61.69 58.76 1ip9 s THR 54 Cb 0.07 -4.92 -0.11 0.00 1.34 0.00 0.00 72.50 68.88 1ip9 s THR 54 CO 0.15 -1.67 1.24 1.17 -0.54 0.00 0.00 174.62 174.97 1ip9 n LYS 55 N 6.73 0.00 0.00 3.99 0.00 0.80 -2.34 118.16 127.34 1ip9 n LYS 55 Ca 0.33 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.64 1ip9 n LYS 55 Cb 0.47 -0.79 0.00 0.00 0.00 0.00 0.00 35.03 34.71 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 4.57 0.00 0.00 3.14 4.77 -1.26 -4.43 117.00 123.79 1ip9 n LEU 56 Ca 0.31 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.29 1ip9 n LEU 56 Cb -0.01 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.08 1ip9 n LEU 56 CO 0.47 0.00 0.00 0.33 -1.33 0.00 0.00 177.39 176.86 1ip9 n PHE 57 N 0.00 0.00 0.19 -1.77 7.35 -1.26 -4.91 117.46 117.05 1ip9 n PHE 57 Ca 0.00 0.00 0.07 0.00 -0.76 0.00 0.00 57.45 56.76 1ip9 n PHE 57 Cb 0.00 0.00 0.23 0.00 0.35 0.00 0.00 39.48 40.06 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 -3.46 116.42 110.86 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 0.31 0.00 0.61 -1.03 0.00 0.00 179.24 179.13 1ip9 n GLY 59 N 0.76 0.06 3.59 7.15 0.00 -1.26 -5.15 105.19 110.34 1ip9 n GLY 59 Ca 0.02 0.15 -0.09 0.00 0.00 0.00 0.00 46.02 46.09 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 -0.40 0.00 1.61 1.04 -1.26 -4.64 113.70 110.05 1ip9 s SER 60 Ca 0.00 -0.20 0.00 0.00 0.48 0.00 0.00 55.95 56.23 1ip9 s SER 60 Cb 0.00 0.58 0.00 0.00 0.10 0.00 0.00 66.02 66.70 1ip9 s SER 60 CO 0.00 -0.99 0.00 0.61 0.98 0.00 0.00 173.24 173.84 1ip9 n GLY 61 N -0.39 4.91 3.69 7.32 0.00 -0.99 -4.60 105.19 115.13 1ip9 n GLY 61 Ca -0.11 -1.83 -0.55 0.00 0.00 0.00 0.00 46.02 43.53 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 1.38 -1.96 1.61 4.71 -1.26 -4.03 120.64 121.09 1ip9 n GLU 62 Ca 0.00 0.50 -0.29 0.00 -0.01 0.00 0.00 57.16 57.36 1ip9 n GLU 62 Cb 0.00 -2.24 -0.05 0.00 -1.01 0.00 0.00 31.44 28.15 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 3.82 2.43 -0.02 3.49 2.12 -1.26 -2.26 118.70 127.02 1ip9 s GLU 63 Ca 0.98 0.19 -0.38 0.00 0.36 0.00 0.00 54.97 56.11 1ip9 s GLU 63 Cb -0.98 -4.79 -0.17 0.00 0.26 0.00 0.00 34.13 28.44 1ip9 s GLU 63 CO 0.62 -3.31 1.38 -0.89 -0.54 0.00 0.00 175.26 172.52 1ip9 n ILE 64 N 7.79 0.06 -1.99 -3.70 -0.00 -0.57 -4.79 119.36 116.16 1ip9 n ILE 64 Ca 0.35 -0.01 0.00 0.00 -0.00 0.00 0.00 62.75 63.09 1ip9 n ILE 64 Cb 0.49 -0.73 0.00 0.00 -0.00 0.00 0.00 39.64 39.39 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 2.94 0.00 -3.68 0.38 5.02 -1.26 -4.59 118.16 116.96 1ip9 n LYS 65 Ca 0.21 -0.16 -0.15 0.00 -2.02 0.00 0.00 58.31 56.19 1ip9 n LYS 65 Cb 0.15 -0.09 -0.08 0.00 -0.02 0.00 0.00 35.03 34.99 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 0.65 -0.18 -4.23 -1.26 -5.00 115.64 105.65 1ip9 s THR 66 Ca 0.00 -0.23 0.21 0.00 -1.18 0.00 0.00 61.69 60.49 1ip9 s THR 66 Cb 0.00 -0.73 0.23 0.00 1.34 0.00 0.00 72.50 73.34 1ip9 s THR 66 CO 0.00 -0.13 1.60 0.44 -0.54 0.00 0.00 174.62 176.00 1ip9 h ASP 67 N 4.00 0.00 0.20 3.99 5.19 -1.95 0.31 116.42 128.16 1ip9 h ASP 67 Ca -0.28 0.00 -0.30 0.00 -0.62 0.00 0.00 57.03 55.83 1ip9 h ASP 67 Cb 1.17 0.00 0.02 0.00 0.18 0.00 0.00 39.33 40.70 1ip9 h ASP 67 CO 0.35 0.00 -1.40 -1.28 -3.12 0.00 0.00 179.24 173.79 1ip9 h SER 68 N 0.00 0.65 -0.09 6.45 0.87 -1.96 -1.51 113.55 117.96 1ip9 h SER 68 Ca 0.06 -0.92 -0.06 0.00 -1.23 0.00 0.00 61.79 59.63 1ip9 h SER 68 Cb 1.27 -0.21 -0.01 0.00 -0.44 0.00 0.00 62.40 63.01 1ip9 h SER 68 CO -0.00 1.65 -0.11 1.56 -0.53 0.00 0.00 176.83 179.40 1ip9 h GLN 69 N -0.04 0.41 0.01 2.24 1.08 -0.80 0.26 115.11 118.28 1ip9 h GLN 69 Ca -0.26 -0.11 -0.00 0.00 -1.45 0.00 0.00 58.65 56.83 1ip9 h GLN 69 Cb 1.99 -0.05 0.00 0.00 -0.05 0.00 0.00 27.48 29.36 1ip9 h GLN 69 CO 0.20 0.53 -0.00 0.28 -0.95 0.00 0.00 178.83 178.88 1ip9 h VAL 70 N 0.39 1.58 0.00 -0.54 2.07 -1.45 -0.70 116.25 117.60 1ip9 h VAL 70 Ca 0.08 -1.88 0.00 0.00 0.82 0.00 0.00 66.70 65.72 1ip9 h VAL 70 Cb 0.44 2.83 0.00 0.00 -1.52 0.00 0.00 31.29 33.04 1ip9 h VAL 70 CO 0.02 0.48 0.00 0.28 0.02 0.00 0.00 177.57 178.37 1ip9 h SER 71 N -0.83 0.00 0.09 0.57 0.02 -1.14 0.28 113.55 112.54 1ip9 h SER 71 Ca -0.00 0.00 -0.22 0.00 -0.84 0.00 0.00 61.79 60.73 1ip9 h SER 71 Cb 0.79 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.33 1ip9 h SER 71 CO 0.00 0.00 -1.09 -1.13 -1.14 0.00 0.00 176.83 173.47 1ip9 h ASN 72 N 0.00 0.30 0.36 3.07 -0.73 -0.36 -1.39 115.58 116.83 1ip9 h ASN 72 Ca 0.00 -0.85 0.00 0.00 1.87 0.00 0.00 56.30 57.32 1ip9 h ASN 72 Cb 0.16 -0.10 0.00 0.00 0.27 0.00 0.00 38.32 38.65 1ip9 h ASN 72 CO 0.00 1.48 0.00 0.40 -0.37 0.00 0.00 177.43 178.94 1ip9 h ILE 73 N -0.49 0.00 0.01 2.57 5.03 0.05 0.11 117.51 124.79 1ip9 h ILE 73 Ca -0.24 -0.15 -0.04 0.00 -0.12 0.00 0.00 64.86 64.32 1ip9 h ILE 73 Cb 1.58 0.90 -0.00 0.00 -3.03 0.00 0.00 36.82 36.27 1ip9 h ILE 73 CO 0.04 0.00 -0.21 0.40 -0.68 0.00 0.00 178.15 177.69 1ip9 h ILE 74 N 0.00 1.68 0.00 -0.67 2.04 -0.40 0.23 117.51 120.38 1ip9 h ILE 74 Ca 0.00 -2.35 0.00 0.00 1.00 0.00 0.00 64.86 63.51 1ip9 h ILE 74 Cb 0.18 3.25 0.00 0.00 -0.74 0.00 0.00 36.82 39.51 1ip9 h ILE 74 CO 0.00 0.59 0.00 1.56 0.00 0.00 0.00 178.15 180.30 1ip9 h GLN 75 N -0.94 0.00 -0.03 2.37 1.08 -0.64 -3.10 115.11 113.85 1ip9 h GLN 75 Ca -0.05 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.15 1ip9 h GLN 75 Cb 1.09 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.52 1ip9 h GLN 75 CO -0.01 0.00 0.00 0.00 -0.95 0.00 0.00 178.83 177.87 1ip9 n ALA 76 N -1.84 2.42 -3.48 3.87 0.00 0.34 -5.04 120.51 116.78 1ip9 n ALA 76 Ca 0.04 -0.63 -0.34 0.00 0.00 0.00 0.00 53.44 52.51 1ip9 n ALA 76 Cb 0.38 -0.17 0.03 0.00 0.00 0.00 0.00 19.45 19.69 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 0.22 -1.92 -3.99 0.00 4.81 0.67 -4.92 118.16 113.03 1ip9 n LYS 77 Ca 0.03 1.41 -0.35 0.00 -0.87 0.00 0.00 58.31 58.53 1ip9 n LYS 77 Cb 0.16 -2.48 -0.09 0.00 0.02 0.00 0.00 35.03 32.65 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 -2.81 3.95 0.06 3.14 2.01 -0.47 -5.01 118.68 119.56 1ip9 s LEU 78 Ca 0.32 0.19 -0.31 0.00 0.01 0.00 0.00 54.13 54.34 1ip9 s LEU 78 Cb -0.04 -1.98 -0.07 0.00 0.01 0.00 0.00 46.19 44.11 1ip9 s LEU 78 CO 0.87 0.25 1.49 -0.54 1.01 0.00 0.00 176.35 179.43 1ip9 s LYS 79 N -0.08 4.26 0.21 1.70 1.02 -1.26 -4.53 119.74 121.06 1ip9 s LYS 79 Ca 0.07 2.13 -0.01 0.00 0.02 0.00 0.00 55.97 58.19 1ip9 s LYS 79 Cb -0.12 -3.47 -0.04 0.00 -0.52 0.00 0.00 37.83 33.68 1ip9 s LYS 79 CO 0.01 -0.59 0.40 0.42 -0.92 0.00 0.00 175.35 174.66 1ip9 s ILE 80 N 2.07 5.19 -0.08 2.17 -1.09 0.19 0.28 121.20 129.94 1ip9 s ILE 80 Ca 0.68 -0.34 0.05 0.00 -2.23 0.00 0.00 60.65 58.80 1ip9 s ILE 80 Cb -0.36 -3.73 -0.00 0.00 -1.58 0.00 0.00 42.46 36.78 1ip9 s ILE 80 CO 0.29 -0.18 -0.24 -0.44 -1.23 0.00 0.00 174.94 173.15 1ip9 s SER 81 N -3.17 2.97 -0.10 3.58 0.01 -0.37 0.20 113.70 116.82 1ip9 s SER 81 Ca 0.39 -0.52 -0.01 0.00 1.31 0.00 0.00 55.95 57.12 1ip9 s SER 81 Cb -0.11 -1.10 -0.03 0.00 0.21 0.00 0.00 66.02 64.99 1ip9 s SER 81 CO 0.29 0.19 -0.05 -0.69 0.41 0.00 0.00 173.24 173.39 1ip9 s VAL 82 N 0.12 3.83 0.28 3.43 1.01 -0.55 -1.60 120.40 126.91 1ip9 s VAL 82 Ca -0.11 -0.41 0.10 0.00 0.00 0.00 0.00 61.98 61.55 1ip9 s VAL 82 Cb -0.16 -2.61 -0.05 0.00 0.00 0.00 0.00 36.38 33.56 1ip9 s VAL 82 CO 0.06 0.56 -0.15 -1.00 0.00 0.00 0.00 175.10 174.57 1ip9 s HIS 83 N -0.37 2.14 -0.16 5.22 3.76 -0.15 -2.38 115.29 123.34 1ip9 s HIS 83 Ca 0.06 -0.46 -0.14 0.00 -0.15 0.00 0.00 55.06 54.37 1ip9 s HIS 83 Cb -0.12 -1.03 -0.05 0.00 1.11 0.00 0.00 32.58 32.49 1ip9 s HIS 83 CO 0.02 0.56 0.31 -0.51 -0.85 0.00 0.00 174.74 174.28 1ip9 s ASP 84 N -3.48 6.44 0.00 1.40 1.01 -1.26 -1.05 116.67 119.73 1ip9 s ASP 84 Ca 0.29 0.51 0.00 0.00 0.71 0.00 0.00 52.55 54.06 1ip9 s ASP 84 Cb -0.02 -2.19 0.00 0.00 1.01 0.00 0.00 42.92 41.72 1ip9 s ASP 84 CO 0.13 0.07 0.05 2.30 0.21 0.00 0.00 175.17 177.93