#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 0.37 4.61 0.00 -1.26 -4.77 120.51 119.46 1ip9 n ALA 2 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.57 1ip9 n ALA 2 Cb 0.00 0.00 0.54 0.00 0.00 0.00 0.00 19.45 19.99 1ip9 n ALA 2 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ip9 h MET 3 N 0.00 0.00 0.00 0.00 3.00 -2.11 -3.48 114.93 112.34 1ip9 h MET 3 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59.70 59.70 1ip9 h MET 3 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31.60 31.60 1ip9 h MET 3 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 176.91 177.32 1ip9 n GLY 4 N -0.03 2.87 2.53 -3.00 0.00 -1.26 -4.85 105.19 101.45 1ip9 n GLY 4 Ca 0.02 -0.33 -0.21 0.00 0.00 0.00 0.00 46.02 45.50 1ip9 n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1ip9 n SER 5 N 2.89 -5.53 -4.21 1.61 7.64 -1.26 -4.89 113.62 109.87 1ip9 n SER 5 Ca 0.00 0.37 -0.43 0.00 1.01 0.00 0.00 58.87 59.81 1ip9 n SER 5 Cb 0.00 -4.81 -0.00 0.00 -1.01 0.00 0.00 64.21 58.39 1ip9 n SER 5 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1ip9 n SER 6 N -1.52 5.65 -3.68 6.43 7.64 -1.26 -4.97 113.62 121.90 1ip9 n SER 6 Ca -0.22 -3.16 -0.14 0.00 1.01 0.00 0.00 58.87 56.36 1ip9 n SER 6 Cb 0.68 -1.31 -0.08 0.00 -1.01 0.00 0.00 64.21 62.49 1ip9 n SER 6 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 1ip9 s THR 7 N -1.74 0.04 -0.28 0.44 -1.32 -1.26 -5.13 115.64 106.38 1ip9 s THR 7 Ca 0.31 -0.35 -0.01 0.00 -1.21 0.00 0.00 61.69 60.43 1ip9 s THR 7 Cb -0.05 -0.77 0.09 0.00 -1.51 0.00 0.00 72.50 70.26 1ip9 s THR 7 CO -0.03 -0.19 0.06 -0.44 -2.21 0.00 0.00 174.62 171.81 1ip9 s SER 8 N -1.40 3.87 0.00 8.08 0.01 -1.26 -4.94 113.70 118.07 1ip9 s SER 8 Ca -0.12 -1.48 0.00 0.00 1.31 0.00 0.00 55.95 55.67 1ip9 s SER 8 Cb -0.03 -0.91 0.00 0.00 0.21 0.00 0.00 66.02 65.28 1ip9 s SER 8 CO 0.05 -0.37 0.00 0.61 0.41 0.00 0.00 173.24 173.94 1ip9 n GLY 9 N 4.82 -1.63 2.68 3.44 0.00 -1.26 -5.03 105.19 108.20 1ip9 n GLY 9 Ca -0.04 -1.17 -0.03 0.00 0.00 0.00 0.00 46.02 44.78 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 -1.45 -3.83 0.99 0.00 -1.26 -5.14 117.00 106.32 1ip9 n LEU 10 Ca 0.00 -3.26 -0.03 0.00 0.00 0.00 0.00 56.01 52.72 1ip9 n LEU 10 Cb 0.00 0.09 0.01 0.00 0.00 0.00 0.00 43.42 43.52 1ip9 n LEU 10 CO 0.00 1.73 0.78 -0.75 0.00 0.00 0.00 177.39 179.16 1ip9 s LYS 11 N 0.02 1.27 0.01 1.96 2.20 -1.26 -5.12 119.74 118.82 1ip9 s LYS 11 Ca 0.12 -0.78 -0.40 0.00 -0.36 0.00 0.00 55.97 54.55 1ip9 s LYS 11 Cb 0.44 0.38 -0.20 0.00 -1.51 0.00 0.00 37.83 36.94 1ip9 s LYS 11 CO -0.12 -0.59 1.10 0.25 -0.36 0.00 0.00 175.35 175.63 1ip9 n THR 12 N -0.61 0.00 -2.65 3.43 -2.24 -1.26 -4.85 114.28 106.10 1ip9 n THR 12 Ca -0.04 -0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.32 1ip9 n THR 12 Cb 0.60 -0.08 -0.04 0.00 -2.10 0.00 0.00 70.33 68.71 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 0.06 4.51 -0.26 4.28 2.01 -0.50 -4.75 115.64 120.99 1ip9 s THR 13 Ca 0.90 1.92 -0.18 0.00 0.31 0.00 0.00 61.69 64.65 1ip9 s THR 13 Cb -1.24 -4.23 -0.03 0.00 0.01 0.00 0.00 72.50 67.01 1ip9 s THR 13 CO 0.56 0.22 0.51 -0.75 -0.69 0.00 0.00 174.62 174.47 1ip9 s LYS 14 N 0.53 4.08 0.10 4.92 2.20 -1.26 -2.45 119.74 127.86 1ip9 s LYS 14 Ca 0.51 0.31 0.07 0.00 -0.36 0.00 0.00 55.97 56.50 1ip9 s LYS 14 Cb -0.24 -3.64 -0.03 0.00 -1.51 0.00 0.00 37.83 32.40 1ip9 s LYS 14 CO 0.30 -0.33 -0.17 0.42 -0.36 0.00 0.00 175.35 175.21 1ip9 s ILE 15 N 2.24 1.44 -0.22 5.43 1.01 -0.80 -4.83 121.20 125.47 1ip9 s ILE 15 Ca 0.21 -1.52 0.02 0.00 0.00 0.00 0.00 60.65 59.35 1ip9 s ILE 15 Cb -0.16 -1.41 0.04 0.00 0.01 0.00 0.00 42.46 40.95 1ip9 s ILE 15 CO 0.09 -0.21 -0.13 -0.54 0.00 0.00 0.00 174.94 174.16 1ip9 s LYS 16 N -2.07 2.31 0.78 2.79 -0.14 -1.26 -1.36 119.74 120.79 1ip9 s LYS 16 Ca 0.05 -1.01 -0.12 0.00 -1.36 0.00 0.00 55.97 53.53 1ip9 s LYS 16 Cb -0.09 -2.61 0.06 0.00 -1.68 0.00 0.00 37.83 33.51 1ip9 s LYS 16 CO 0.04 -0.43 1.15 -0.06 -0.76 0.00 0.00 175.35 175.29 1ip9 s PHE 17 N 1.28 3.05 -0.44 3.18 0.40 0.06 -1.11 117.98 124.39 1ip9 s PHE 17 Ca -0.02 0.86 0.07 0.00 -0.60 0.00 0.00 56.93 57.24 1ip9 s PHE 17 Cb -0.17 -3.34 0.24 0.00 0.51 0.00 0.00 43.02 40.25 1ip9 s PHE 17 CO -0.08 -1.61 0.53 0.66 0.70 0.00 0.00 175.22 175.42 1ip9 n TYR 18 N -3.24 0.27 -2.45 0.36 4.02 0.53 -3.03 117.16 113.62 1ip9 n TYR 18 Ca 0.08 -3.64 -0.43 0.00 -0.01 0.00 0.00 57.90 53.90 1ip9 n TYR 18 Cb 0.60 -0.30 -0.02 0.00 -0.02 0.00 0.00 39.34 39.60 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 -1.20 2.77 0.00 -0.72 5.04 -0.84 -1.53 117.35 120.87 1ip9 s TYR 19 Ca 0.35 0.94 0.00 0.00 -2.44 0.00 0.00 57.07 55.92 1ip9 s TYR 19 Cb 0.14 -3.82 0.00 0.00 0.35 0.00 0.00 41.96 38.63 1ip9 s TYR 19 CO -0.11 -1.58 0.00 1.63 -1.34 0.00 0.00 175.55 174.15 1ip9 n LYS 20 N 7.15 0.00 0.00 4.97 5.02 -1.05 -1.14 118.16 133.12 1ip9 n LYS 20 Ca 0.14 0.00 0.13 0.00 -2.02 0.00 0.00 58.31 56.57 1ip9 n LYS 20 Cb 0.46 0.00 0.44 0.00 -0.02 0.00 0.00 35.03 35.92 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 1.21 0.86 -4.96 4.39 8.00 -1.26 -4.87 116.55 119.92 1ip9 n ASP 21 Ca 0.00 -0.79 -0.23 0.00 0.71 0.00 0.00 54.79 54.48 1ip9 n ASP 21 Cb 0.00 0.07 0.01 0.00 -0.02 0.00 0.00 41.12 41.18 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 -2.50 5.89 -0.04 -2.24 -1.08 -0.29 -5.11 116.67 111.30 1ip9 s ASP 22 Ca 0.26 0.26 -0.13 0.00 -0.52 0.00 0.00 52.55 52.41 1ip9 s ASP 22 Cb 0.19 -1.55 0.02 0.00 -1.46 0.00 0.00 42.92 40.13 1ip9 s ASP 22 CO 0.51 -0.64 0.29 -0.63 0.52 0.00 0.00 175.17 175.22 1ip9 s ILE 23 N -2.50 0.04 0.13 4.11 1.09 -1.26 -1.99 121.20 120.82 1ip9 s ILE 23 Ca 0.47 -0.35 0.02 0.00 -1.10 0.00 0.00 60.65 59.69 1ip9 s ILE 23 Cb -0.10 -0.54 -0.01 0.00 -1.06 0.00 0.00 42.46 40.76 1ip9 s ILE 23 CO 0.37 -0.19 0.06 2.22 -0.10 0.00 0.00 174.94 177.30 1ip9 n PHE 24 N 1.81 -0.02 -3.95 3.97 -1.74 -1.17 -4.94 117.46 111.42 1ip9 n PHE 24 Ca -0.19 -0.89 -0.08 0.00 -0.56 0.00 0.00 57.45 55.72 1ip9 n PHE 24 Cb 0.56 0.02 -0.09 0.00 1.52 0.00 0.00 39.48 41.50 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 -2.39 0.05 0.02 1.98 0.00 -1.26 -0.76 121.76 119.40 1ip9 s ALA 25 Ca 0.08 -0.79 -0.05 0.00 0.00 0.00 0.00 51.96 51.21 1ip9 s ALA 25 Cb 0.00 0.36 -0.01 0.00 0.00 0.00 0.00 23.12 23.47 1ip9 s ALA 25 CO 0.06 -0.42 0.08 -1.17 0.00 0.00 0.00 175.76 174.31 1ip9 s LEU 26 N -2.70 1.83 -0.30 0.00 2.96 -0.46 -4.96 118.68 115.05 1ip9 s LEU 26 Ca 0.03 -0.43 0.00 0.00 -0.22 0.00 0.00 54.13 53.52 1ip9 s LEU 26 Cb 0.04 0.51 0.06 0.00 0.50 0.00 0.00 46.19 47.30 1ip9 s LEU 26 CO -0.09 -0.42 -0.02 -0.04 -1.32 0.00 0.00 176.35 174.46 1ip9 s MET 27 N -1.97 2.25 -0.10 1.98 -1.94 -1.26 -1.90 119.30 116.36 1ip9 s MET 27 Ca -0.10 -1.39 -0.13 0.00 -1.71 0.00 0.00 55.69 52.35 1ip9 s MET 27 Cb -0.05 -3.10 -0.05 0.00 2.01 0.00 0.00 34.83 33.64 1ip9 s MET 27 CO -0.02 -0.66 0.32 -0.51 -0.01 0.00 0.00 175.02 174.14 1ip9 s LEU 28 N 1.16 4.33 0.00 -0.03 1.02 -1.02 -4.80 118.68 119.34 1ip9 s LEU 28 Ca -0.04 0.66 0.26 0.00 0.02 0.00 0.00 54.13 55.03 1ip9 s LEU 28 Cb -0.20 -2.42 0.74 0.00 0.02 0.00 0.00 46.19 44.33 1ip9 s LEU 28 CO -0.03 0.20 1.57 1.17 0.02 0.00 0.00 176.35 179.28 1ip9 n LYS 29 N 2.85 1.90 0.00 1.70 0.00 -1.26 -1.41 118.16 121.94 1ip9 n LYS 29 Ca -0.13 -1.32 0.00 0.00 0.00 0.00 0.00 58.31 56.86 1ip9 n LYS 29 Cb 0.52 -1.47 0.00 0.00 0.00 0.00 0.00 35.03 34.08 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 1.24 1.86 0.12 3.14 0.00 -1.26 -4.86 105.19 105.43 1ip9 n GLY 30 Ca 0.17 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.32 1ip9 n GLY 30 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 1ip9 h ASP 31 N 0.86 0.00 -2.90 1.61 3.04 -2.00 -3.47 116.42 113.56 1ip9 h ASP 31 Ca 0.00 -0.06 -0.56 0.00 -3.24 0.00 0.00 57.03 53.17 1ip9 h ASP 31 Cb 0.00 0.00 0.20 0.00 -1.04 0.00 0.00 39.33 38.49 1ip9 h ASP 31 CO 0.00 0.03 -0.74 0.41 -2.04 0.00 0.00 179.24 176.90 1ip9 n THR 32 N -2.46 1.01 -4.37 1.15 -1.04 -1.26 -5.00 114.28 102.30 1ip9 n THR 32 Ca 0.04 -0.40 -0.19 0.00 -2.04 0.00 0.00 64.05 61.47 1ip9 n THR 32 Cb 0.47 -0.51 -0.05 0.00 -1.82 0.00 0.00 70.33 68.41 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 -2.46 0.00 0.12 12.58 -2.24 -1.26 -4.71 114.28 116.31 1ip9 n THR 33 Ca 0.07 -1.77 -0.21 0.00 -2.27 0.00 0.00 64.05 59.88 1ip9 n THR 33 Cb 0.51 0.63 -0.15 0.00 -2.10 0.00 0.00 70.33 69.22 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 1.50 0.75 0.00 4.78 3.20 -1.82 -1.87 116.97 123.51 1ip9 h TYR 34 Ca -0.24 -0.55 -0.03 0.00 3.14 0.00 0.00 58.73 61.06 1ip9 h TYR 34 Cb 0.90 -0.03 -0.00 0.00 1.54 0.00 0.00 36.73 39.14 1ip9 h TYR 34 CO 0.00 1.46 -0.15 0.87 -1.64 0.00 0.00 178.16 178.70 1ip9 h LYS 35 N 0.11 0.00 -0.09 1.82 1.57 -1.94 -0.85 116.57 117.19 1ip9 h LYS 35 Ca -0.22 0.00 -0.17 0.00 -1.87 0.00 0.00 60.65 58.39 1ip9 h LYS 35 Cb 2.09 0.00 0.01 0.00 0.08 0.00 0.00 32.23 34.41 1ip9 h LYS 35 CO 0.23 0.15 -0.60 1.49 -0.57 0.00 0.00 179.45 180.15 1ip9 h GLU 36 N 0.00 0.56 -0.24 3.15 4.57 -1.93 -2.21 114.58 118.47 1ip9 h GLU 36 Ca -0.00 -0.49 -0.02 0.00 -1.18 0.00 0.00 59.36 57.67 1ip9 h GLU 36 Cb 0.83 0.11 -0.01 0.00 -0.16 0.00 0.00 28.75 29.51 1ip9 h GLU 36 CO 0.02 1.12 0.06 1.25 -1.18 0.00 0.00 179.01 180.27 1ip9 h LEU 37 N 0.17 0.31 -0.32 1.64 6.46 -0.98 -0.04 115.31 122.56 1ip9 h LEU 37 Ca -0.05 -0.03 -0.04 0.00 -0.12 0.00 0.00 57.88 57.64 1ip9 h LEU 37 Cb 1.26 -0.08 -0.01 0.00 -0.73 0.00 0.00 40.66 41.10 1ip9 h LEU 37 CO 0.12 0.32 0.03 0.03 -0.62 0.00 0.00 178.44 178.32 1ip9 h ARG 38 N 0.34 0.54 0.00 1.25 3.08 -0.86 0.69 114.38 119.42 1ip9 h ARG 38 Ca 0.08 -0.16 0.00 0.00 0.07 0.00 0.00 59.98 59.98 1ip9 h ARG 38 Cb 0.14 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.13 1ip9 h ARG 38 CO -0.00 0.65 0.00 0.43 -1.07 0.00 0.00 179.97 179.98 1ip9 n SER 39 N -4.58 0.78 0.09 7.04 7.64 -0.86 -1.30 113.62 122.42 1ip9 n SER 39 Ca -0.02 0.57 0.10 0.00 1.01 0.00 0.00 58.87 60.53 1ip9 n SER 39 Cb 0.24 -0.78 -0.02 0.00 -1.01 0.00 0.00 64.21 62.63 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 -2.23 0.61 -0.09 1.43 5.02 -0.08 -4.26 118.16 118.56 1ip9 n LYS 40 Ca 0.06 0.11 -0.11 0.00 -2.02 0.00 0.00 58.31 56.35 1ip9 n LYS 40 Cb 0.42 -1.80 -0.13 0.00 -0.02 0.00 0.00 35.03 33.50 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 1.25 -0.27 -0.18 5.41 0.20 -4.34 119.36 118.76 1ip9 n ILE 41 Ca -0.02 -0.70 0.04 0.00 1.00 0.00 0.00 62.75 63.07 1ip9 n ILE 41 Cb 0.59 -0.72 0.13 0.00 -0.71 0.00 0.00 39.64 38.93 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 0.67 0.65 0.00 -1.39 0.00 -1.37 0.43 119.26 118.24 1ip9 h ALA 42 Ca -0.49 0.28 -0.09 0.00 0.00 0.00 0.00 54.91 54.61 1ip9 h ALA 42 Cb 2.03 0.53 -0.01 0.00 0.00 0.00 0.00 17.79 20.34 1ip9 h ALA 42 CO 0.00 -0.42 -0.42 -1.00 0.00 0.00 0.00 179.25 177.40 1ip9 h PRO 43 N 0.03 0.00 -0.00 0.00 0.13 -1.78 -1.37 132.00 129.02 1ip9 h PRO 43 Ca 0.40 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.53 1ip9 h PRO 43 Cb 0.66 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.79 1ip9 h PRO 43 CO -0.76 0.42 -0.09 0.54 -0.23 0.00 0.00 178.00 177.88 1ip9 n ARG 44 N -3.57 0.80 -0.09 0.86 5.12 0.12 -3.71 116.66 116.18 1ip9 n ARG 44 Ca -0.00 -0.28 -0.12 0.00 -1.93 0.00 0.00 57.85 55.52 1ip9 n ARG 44 Cb 0.53 -1.49 -0.11 0.00 -1.16 0.00 0.00 32.46 30.23 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 -0.86 1.14 -0.35 0.55 5.41 0.58 -4.99 119.36 120.85 1ip9 n ILE 45 Ca 0.16 -0.54 0.00 0.00 1.00 0.00 0.00 62.75 63.37 1ip9 n ILE 45 Cb 0.27 -0.97 0.00 0.00 -0.71 0.00 0.00 39.64 38.23 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 -2.90 -1.04 -3.58 4.38 8.00 -0.56 -5.04 116.55 115.80 1ip9 n ASP 46 Ca -0.32 0.00 -0.16 0.00 0.71 0.00 0.00 54.79 55.01 1ip9 n ASP 46 Cb 0.94 -0.17 -0.08 0.00 -0.02 0.00 0.00 41.12 41.79 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 -2.01 0.00 -0.89 -3.53 -1.32 -1.14 -5.05 115.64 101.70 1ip9 s THR 47 Ca 0.00 -1.92 0.08 0.00 -1.21 0.00 0.00 61.69 58.64 1ip9 s THR 47 Cb 0.00 -2.51 0.04 0.00 -1.51 0.00 0.00 72.50 68.52 1ip9 s THR 47 CO 0.00 0.00 0.68 0.47 -2.21 0.00 0.00 174.62 173.56 1ip9 n ASP 48 N -1.15 1.45 -3.84 8.08 8.00 -1.26 -4.44 116.55 123.39 1ip9 n ASP 48 Ca 0.05 -1.23 -0.28 0.00 0.71 0.00 0.00 54.79 54.04 1ip9 n ASP 48 Cb 0.63 0.16 -0.16 0.00 -0.02 0.00 0.00 41.12 41.73 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 -0.83 3.14 0.23 -2.24 0.02 -1.26 -4.99 114.94 109.02 1ip9 s ASN 49 Ca 0.08 -0.87 0.01 0.00 -1.02 0.00 0.00 52.86 51.06 1ip9 s ASN 49 Cb 0.06 -0.86 -0.04 0.00 0.02 0.00 0.00 41.25 40.43 1ip9 s ASN 49 CO 0.13 -0.25 0.16 0.72 0.02 0.00 0.00 177.10 177.89 1ip9 s PHE 50 N 1.65 1.31 -0.27 2.20 -0.71 -1.26 -1.63 117.98 119.28 1ip9 s PHE 50 Ca -0.02 -1.44 0.02 0.00 -1.04 0.00 0.00 56.93 54.45 1ip9 s PHE 50 Cb -0.17 -0.61 0.06 0.00 -1.21 0.00 0.00 43.02 41.09 1ip9 s PHE 50 CO -0.07 -0.68 -0.08 0.21 -1.34 0.00 0.00 175.22 173.26 1ip9 s LYS 51 N -3.99 2.26 -0.13 1.99 2.20 -0.48 -4.78 119.74 116.81 1ip9 s LYS 51 Ca 0.39 -1.34 -0.13 0.00 -0.36 0.00 0.00 55.97 54.52 1ip9 s LYS 51 Cb 0.06 -2.96 -0.05 0.00 -1.51 0.00 0.00 37.83 33.37 1ip9 s LYS 51 CO 0.16 -0.59 0.30 -0.51 -0.36 0.00 0.00 175.35 174.35 1ip9 s LEU 52 N 1.13 4.30 0.28 5.43 1.43 -1.25 -1.14 118.68 128.86 1ip9 s LEU 52 Ca -0.08 0.59 0.02 0.00 -1.03 0.00 0.00 54.13 53.63 1ip9 s LEU 52 Cb -0.20 -2.39 -0.05 0.00 0.03 0.00 0.00 46.19 43.59 1ip9 s LEU 52 CO -0.04 0.17 0.11 -1.10 0.23 0.00 0.00 176.35 175.71 1ip9 s GLN 53 N 0.05 1.50 -1.23 1.70 1.11 -0.43 -0.95 119.66 121.41 1ip9 s GLN 53 Ca 0.18 -1.83 -0.18 0.00 0.01 0.00 0.00 55.36 53.54 1ip9 s GLN 53 Cb -0.14 -0.29 0.09 0.00 -1.01 0.00 0.00 33.01 31.66 1ip9 s GLN 53 CO 0.06 -0.33 1.63 0.95 0.01 0.00 0.00 175.29 177.60 1ip9 s THR 54 N -3.66 4.26 -0.69 -0.19 -4.23 -0.59 -1.36 115.64 109.18 1ip9 s THR 54 Ca 0.37 -1.85 -0.15 0.00 -1.18 0.00 0.00 61.69 58.87 1ip9 s THR 54 Cb 0.07 -5.12 -0.18 0.00 1.34 0.00 0.00 72.50 68.61 1ip9 s THR 54 CO 0.15 -1.93 1.70 1.17 -0.54 0.00 0.00 174.62 175.16 1ip9 n LYS 55 N 7.96 0.00 -0.02 3.99 0.00 0.81 -2.70 118.16 128.20 1ip9 n LYS 55 Ca 0.44 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.75 1ip9 n LYS 55 Cb 0.46 -0.89 0.00 0.00 0.00 0.00 0.00 35.03 34.60 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 5.82 0.00 0.02 3.14 4.77 -1.23 -4.17 117.00 125.35 1ip9 n LEU 56 Ca 0.46 0.00 0.13 0.00 -0.03 0.00 0.00 56.01 56.57 1ip9 n LEU 56 Cb 0.05 0.00 0.54 0.00 -2.33 0.00 0.00 43.42 41.68 1ip9 n LEU 56 CO 0.69 -0.18 0.91 0.33 -1.33 0.00 0.00 177.39 177.82 1ip9 n PHE 57 N -0.68 0.17 -0.13 -1.77 7.35 -1.26 -3.90 117.46 117.24 1ip9 n PHE 57 Ca 0.00 0.05 -0.26 0.00 -0.76 0.00 0.00 57.45 56.49 1ip9 n PHE 57 Cb 0.00 -0.59 -0.09 0.00 0.35 0.00 0.00 39.48 39.16 1ip9 n PHE 57 CO 0.00 0.00 0.00 -0.40 -0.76 0.00 0.00 176.76 175.60 1ip9 n ASP 58 N -1.64 1.95 0.13 -2.13 5.75 -1.26 -5.04 116.55 114.30 1ip9 n ASP 58 Ca 0.06 0.34 0.00 0.00 -0.01 0.00 0.00 54.79 55.18 1ip9 n ASP 58 Cb 0.33 -0.81 0.00 0.00 -1.03 0.00 0.00 41.12 39.61 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 1.30 -1.61 3.62 6.12 0.00 -1.25 -5.16 105.19 108.21 1ip9 n GLY 59 Ca -0.46 0.47 -0.09 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.06 0.00 1.61 1.04 -1.26 -3.54 113.70 109.49 1ip9 s SER 60 Ca 0.00 -0.92 0.00 0.00 0.48 0.00 0.00 55.95 55.51 1ip9 s SER 60 Cb 0.00 0.61 0.00 0.00 0.10 0.00 0.00 66.02 66.73 1ip9 s SER 60 CO 0.00 -1.19 0.00 0.61 0.98 0.00 0.00 173.24 173.64 1ip9 n GLY 61 N -0.40 3.57 3.45 7.32 0.00 -1.10 -4.35 105.19 113.68 1ip9 n GLY 61 Ca -0.02 -0.24 -0.50 0.00 0.00 0.00 0.00 46.02 45.25 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 1.09 -1.96 1.61 4.71 -1.26 -4.32 120.64 120.52 1ip9 n GLU 62 Ca 0.00 0.29 -0.38 0.00 -0.01 0.00 0.00 57.16 57.06 1ip9 n GLU 62 Cb 0.00 -2.49 -0.03 0.00 -1.01 0.00 0.00 31.44 27.91 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 6.28 2.53 -0.12 3.49 2.12 -1.26 -1.54 118.70 130.19 1ip9 s GLU 63 Ca 1.09 0.73 -0.38 0.00 0.36 0.00 0.00 54.97 56.77 1ip9 s GLU 63 Cb -0.84 -4.44 -0.16 0.00 0.26 0.00 0.00 34.13 28.96 1ip9 s GLU 63 CO 0.48 -2.85 1.60 -0.89 -0.54 0.00 0.00 175.26 173.06 1ip9 n ILE 64 N 7.36 0.20 -1.74 -3.70 -0.00 -0.12 -4.78 119.36 116.58 1ip9 n ILE 64 Ca 0.24 -0.04 0.00 0.00 -0.00 0.00 0.00 62.75 62.95 1ip9 n ILE 64 Cb 0.52 -1.12 0.00 0.00 -0.00 0.00 0.00 39.64 39.04 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 4.36 0.00 -3.59 0.38 5.02 -1.26 -4.57 118.16 118.50 1ip9 n LYS 65 Ca 0.23 -0.47 -0.17 0.00 -2.02 0.00 0.00 58.31 55.88 1ip9 n LYS 65 Cb 0.17 -0.30 -0.07 0.00 -0.02 0.00 0.00 35.03 34.81 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 -4.99 115.64 105.63 1ip9 s THR 66 Ca 0.00 -0.14 0.22 0.00 -1.18 0.00 0.00 61.69 60.59 1ip9 s THR 66 Cb 0.00 -0.89 0.28 0.00 1.34 0.00 0.00 72.50 73.22 1ip9 s THR 66 CO 0.00 -0.07 1.55 0.44 -0.54 0.00 0.00 174.62 175.99 1ip9 h ASP 67 N 3.23 0.00 0.08 3.99 3.32 -1.93 0.42 116.42 125.53 1ip9 h ASP 67 Ca -0.28 0.00 -0.15 0.00 0.02 0.00 0.00 57.03 56.62 1ip9 h ASP 67 Cb 1.15 0.00 0.02 0.00 0.22 0.00 0.00 39.33 40.72 1ip9 h ASP 67 CO 0.39 0.00 -0.64 0.28 -1.72 0.00 0.00 179.24 177.55 1ip9 h SER 68 N 0.00 0.42 -0.75 6.45 0.02 -1.94 -1.53 113.55 116.23 1ip9 h SER 68 Ca 0.18 -0.89 0.05 0.00 -0.84 0.00 0.00 61.79 60.28 1ip9 h SER 68 Cb 1.67 -0.13 -0.04 0.00 0.14 0.00 0.00 62.40 64.04 1ip9 h SER 68 CO -0.00 1.28 0.49 1.56 -1.14 0.00 0.00 176.83 179.02 1ip9 h GLN 69 N -0.37 0.84 -0.03 3.45 4.20 -0.55 0.23 115.11 122.89 1ip9 h GLN 69 Ca -0.10 -0.05 -0.04 0.00 0.06 0.00 0.00 58.65 58.52 1ip9 h GLN 69 Cb 1.45 -0.19 0.00 0.00 0.30 0.00 0.00 27.48 29.04 1ip9 h GLN 69 CO 0.12 0.56 -0.14 0.28 -0.67 0.00 0.00 178.83 178.98 1ip9 h VAL 70 N 0.87 1.48 0.00 -0.54 2.07 -1.46 -0.91 116.25 117.76 1ip9 h VAL 70 Ca 0.31 -1.62 0.00 0.00 0.82 0.00 0.00 66.70 66.20 1ip9 h VAL 70 Cb 0.13 2.47 0.00 0.00 -1.52 0.00 0.00 31.29 32.37 1ip9 h VAL 70 CO -0.10 0.44 0.00 -1.20 0.02 0.00 0.00 177.57 176.74 1ip9 n SER 71 N -4.62 0.48 -0.03 0.57 7.64 -0.58 -0.16 113.62 116.93 1ip9 n SER 71 Ca -0.09 0.67 -0.20 0.00 1.01 0.00 0.00 58.87 60.26 1ip9 n SER 71 Cb 0.40 -0.75 -0.13 0.00 -1.01 0.00 0.00 64.21 62.72 1ip9 n SER 71 CO 0.00 0.00 0.00 -1.13 -3.01 0.00 0.00 175.04 170.90 1ip9 h ASN 72 N 0.00 0.23 0.34 6.43 -1.24 -0.29 -1.37 115.58 119.68 1ip9 h ASN 72 Ca 0.00 -0.82 0.00 0.00 0.71 0.00 0.00 56.30 56.19 1ip9 h ASN 72 Cb 0.17 -0.08 0.00 0.00 0.73 0.00 0.00 38.32 39.15 1ip9 h ASN 72 CO 0.00 1.44 0.00 0.40 -1.29 0.00 0.00 177.43 177.98 1ip9 h ILE 73 N -0.60 0.00 0.00 2.57 5.03 -0.19 0.14 117.51 124.47 1ip9 h ILE 73 Ca -0.24 -0.15 -0.00 0.00 -0.12 0.00 0.00 64.86 64.36 1ip9 h ILE 73 Cb 1.50 0.96 0.00 0.00 -3.03 0.00 0.00 36.82 36.25 1ip9 h ILE 73 CO -0.00 0.00 -0.00 0.40 -0.68 0.00 0.00 178.15 177.87 1ip9 h ILE 74 N 0.00 1.56 0.00 -0.67 2.04 -0.47 0.69 117.51 120.66 1ip9 h ILE 74 Ca 0.00 -2.13 0.00 0.00 1.00 0.00 0.00 64.86 63.73 1ip9 h ILE 74 Cb 0.17 2.93 0.00 0.00 -0.74 0.00 0.00 36.82 39.18 1ip9 h ILE 74 CO 0.00 0.52 0.00 0.00 0.00 0.00 0.00 178.15 178.67 1ip9 n GLN 75 N -4.65 0.18 -0.00 2.37 6.02 -0.52 -2.96 117.38 117.82 1ip9 n GLN 75 Ca -0.09 0.28 0.00 0.00 -0.01 0.00 0.00 57.00 57.19 1ip9 n GLN 75 Cb 0.41 -1.77 0.00 0.00 1.02 0.00 0.00 30.24 29.91 1ip9 n GLN 75 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1ip9 n ALA 76 N -1.72 2.48 -3.54 -1.58 0.00 0.45 -4.91 120.51 111.69 1ip9 n ALA 76 Ca 0.04 -0.53 -0.35 0.00 0.00 0.00 0.00 53.44 52.60 1ip9 n ALA 76 Cb 0.31 -0.02 0.03 0.00 0.00 0.00 0.00 19.45 19.77 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 0.01 -1.87 -4.11 0.00 4.81 0.23 -4.92 118.16 112.32 1ip9 n LYS 77 Ca 0.00 1.33 -0.35 0.00 -0.87 0.00 0.00 58.31 58.42 1ip9 n LYS 77 Cb 0.03 -2.24 -0.09 0.00 0.02 0.00 0.00 35.03 32.75 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 -2.95 3.81 0.31 3.14 2.01 -0.67 -5.01 118.68 119.32 1ip9 s LEU 78 Ca 0.31 0.14 -0.29 0.00 0.01 0.00 0.00 54.13 54.30 1ip9 s LEU 78 Cb -0.03 -1.93 -0.11 0.00 0.01 0.00 0.00 46.19 44.13 1ip9 s LEU 78 CO 0.88 0.26 1.49 -0.54 1.01 0.00 0.00 176.35 179.45 1ip9 s LYS 79 N -0.16 4.18 0.06 1.70 -0.14 -1.26 -4.59 119.74 119.53 1ip9 s LYS 79 Ca 0.07 2.46 0.02 0.00 -1.36 0.00 0.00 55.97 57.16 1ip9 s LYS 79 Cb -0.12 -3.04 -0.04 0.00 -1.68 0.00 0.00 37.83 32.95 1ip9 s LYS 79 CO 0.01 -0.49 0.08 0.42 -0.76 0.00 0.00 175.35 174.61 1ip9 s ILE 80 N -0.47 4.57 -0.11 2.17 -1.09 -0.26 0.28 121.20 126.29 1ip9 s ILE 80 Ca 0.57 -0.67 0.02 0.00 -2.23 0.00 0.00 60.65 58.34 1ip9 s ILE 80 Cb -0.45 -3.17 -0.01 0.00 -1.58 0.00 0.00 42.46 37.25 1ip9 s ILE 80 CO 0.52 0.19 -0.18 -0.44 -1.23 0.00 0.00 174.94 173.80 1ip9 s SER 81 N -2.20 3.62 -0.12 3.58 0.01 -0.46 0.20 113.70 118.32 1ip9 s SER 81 Ca 0.27 -0.42 -0.02 0.00 1.31 0.00 0.00 55.95 57.10 1ip9 s SER 81 Cb -0.12 -1.45 -0.03 0.00 0.21 0.00 0.00 66.02 64.64 1ip9 s SER 81 CO 0.20 0.18 -0.06 -0.69 0.41 0.00 0.00 173.24 173.27 1ip9 s VAL 82 N 0.25 3.69 0.40 3.43 1.01 -0.58 -1.31 120.40 127.29 1ip9 s VAL 82 Ca -0.12 -0.45 0.07 0.00 0.00 0.00 0.00 61.98 61.48 1ip9 s VAL 82 Cb -0.16 -2.57 -0.08 0.00 0.00 0.00 0.00 36.38 33.57 1ip9 s VAL 82 CO 0.07 0.53 0.00 -1.00 0.00 0.00 0.00 175.10 174.70 1ip9 s HIS 83 N -0.00 2.50 -0.22 5.22 3.76 -0.29 -2.51 115.29 123.74 1ip9 s HIS 83 Ca -0.00 -0.66 -0.10 0.00 -0.15 0.00 0.00 55.06 54.14 1ip9 s HIS 83 Cb -0.14 -1.73 -0.05 0.00 1.11 0.00 0.00 32.58 31.77 1ip9 s HIS 83 CO 0.03 0.45 0.13 -0.51 -0.85 0.00 0.00 174.74 173.99 1ip9 s ASP 84 N -3.70 6.07 0.00 1.40 1.01 -1.26 -1.38 116.67 118.81 1ip9 s ASP 84 Ca 0.35 0.15 0.00 0.00 0.71 0.00 0.00 52.55 53.76 1ip9 s ASP 84 Cb 0.09 -2.08 0.00 0.00 1.01 0.00 0.00 42.92 41.95 1ip9 s ASP 84 CO 0.18 0.13 0.00 2.30 0.21 0.00 0.00 175.17 177.98