#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ug8 n SER 2 N 0.00 -7.94 -2.97 1.61 2.88 -1.26 -4.84 113.62 101.11 1ug8 n SER 2 Ca 0.00 1.16 -0.00 0.00 -1.33 0.00 0.00 58.87 58.70 1ug8 n SER 2 Cb 0.00 -4.38 -0.00 0.00 -0.75 0.00 0.00 64.21 59.08 1ug8 n SER 2 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1ug8 n SER 3 N 1.40 -7.16 -0.06 -3.46 7.64 -1.26 -4.75 113.62 105.97 1ug8 n SER 3 Ca 0.00 0.90 -0.04 0.00 1.01 0.00 0.00 58.87 60.74 1ug8 n SER 3 Cb 0.00 -3.35 -0.01 0.00 -1.01 0.00 0.00 64.21 59.84 1ug8 n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ug8 n GLY 4 N 1.06 -0.83 0.30 0.23 0.00 -1.26 -2.22 105.19 102.46 1ug8 n GLY 4 Ca -0.01 -0.16 -0.09 0.00 0.00 0.00 0.00 46.02 45.76 1ug8 n GLY 4 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1ug8 h SER 5 N -0.83 1.02 0.00 1.61 0.87 -2.02 -3.04 113.55 111.16 1ug8 h SER 5 Ca 0.00 -0.32 -0.00 0.00 -1.23 0.00 0.00 61.79 60.23 1ug8 h SER 5 Cb 0.48 -0.28 0.00 0.00 -0.44 0.00 0.00 62.40 62.17 1ug8 h SER 5 CO 0.00 1.11 -0.01 -1.28 -0.53 0.00 0.00 176.83 176.12 1ug8 h SER 6 N 0.92 0.01 -1.78 6.23 0.87 -1.97 -3.25 113.55 114.58 1ug8 h SER 6 Ca 0.15 -0.86 0.54 0.00 -1.23 0.00 0.00 61.79 60.39 1ug8 h SER 6 Cb 0.64 -0.00 -0.10 0.00 -0.44 0.00 0.00 62.40 62.50 1ug8 h SER 6 CO 0.04 0.87 1.24 1.23 -0.53 0.00 0.00 176.83 179.68 1ug8 h GLY 7 N -0.85 0.50 0.49 5.77 0.00 -1.46 1.01 103.07 108.53 1ug8 h GLY 7 Ca -0.00 -0.03 -0.02 0.00 0.00 0.00 0.00 47.33 47.27 1ug8 h GLY 7 CO 0.00 -0.18 -0.23 -1.80 0.00 0.00 0.00 176.54 174.33 1ug8 h ASP 8 N 0.00 -0.56 0.32 0.19 1.82 -1.56 -2.21 116.42 114.42 1ug8 h ASP 8 Ca 0.93 0.02 -0.06 0.00 -0.39 0.00 0.00 57.03 57.52 1ug8 h ASP 8 Cb 3.47 0.14 -0.01 0.00 0.68 0.00 0.00 39.33 43.61 1ug8 h ASP 8 CO -0.18 -0.39 -0.30 0.06 -1.61 0.00 0.00 179.24 176.82 1ug8 h GLN 9 N -0.67 0.00 -0.86 0.28 3.07 -0.60 -2.27 115.11 114.06 1ug8 h GLN 9 Ca -0.07 0.00 0.16 0.00 0.09 0.00 0.00 58.65 58.83 1ug8 h GLN 9 Cb 0.50 0.00 -0.07 0.00 0.08 0.00 0.00 27.48 28.00 1ug8 h GLN 9 CO 0.11 0.30 0.56 -0.22 0.09 0.00 0.00 178.83 179.68 1ug8 h LYS 10 N 0.00 0.56 0.01 0.06 3.11 0.98 0.70 116.57 122.00 1ug8 h LYS 10 Ca -0.00 -0.03 -0.27 0.00 -2.81 0.00 0.00 60.65 57.53 1ug8 h LYS 10 Cb 0.55 -0.13 0.02 0.00 -1.00 0.00 0.00 32.23 31.67 1ug8 h LYS 10 CO 0.04 0.37 -1.06 0.87 -2.81 0.00 0.00 179.45 176.86 1ug8 h LYS 11 N 0.58 0.69 0.34 1.90 1.79 -0.80 -2.49 116.57 118.57 1ug8 h LYS 11 Ca 0.44 -0.76 -0.02 0.00 -2.18 0.00 0.00 60.65 58.13 1ug8 h LYS 11 Cb 0.83 0.22 0.00 0.00 -1.58 0.00 0.00 32.23 31.71 1ug8 h LYS 11 CO -0.19 1.33 -0.16 0.35 -1.08 0.00 0.00 179.45 179.70 1ug8 h PHE 12 N 0.38 -0.42 -0.04 -1.35 3.04 -0.62 -0.40 116.94 117.53 1ug8 h PHE 12 Ca -0.14 -0.01 0.03 0.00 3.98 0.00 0.00 57.97 61.84 1ug8 h PHE 12 Cb 1.72 0.14 -0.04 0.00 2.56 0.00 0.00 35.95 40.33 1ug8 h PHE 12 CO 0.10 -0.18 -0.20 0.97 -2.02 0.00 0.00 178.31 176.98 1ug8 h ILE 13 N -0.58 0.51 -0.33 1.41 6.09 0.17 -1.44 117.51 123.34 1ug8 h ILE 13 Ca -0.05 0.00 0.07 0.00 -1.37 0.00 0.00 64.86 63.52 1ug8 h ILE 13 Cb 0.43 0.51 -0.08 0.00 0.47 0.00 0.00 36.82 38.15 1ug8 h ILE 13 CO 0.08 0.00 -0.31 -0.78 -3.07 0.00 0.00 178.15 174.07 1ug8 h ASP 14 N -0.30 -1.01 -1.05 2.19 3.58 -1.38 0.46 116.42 118.92 1ug8 h ASP 14 Ca 0.07 0.17 0.27 0.00 0.42 0.00 0.00 57.03 57.97 1ug8 h ASP 14 Cb 0.40 0.47 -0.10 0.00 1.72 0.00 0.00 39.33 41.82 1ug8 h ASP 14 CO -0.22 -0.32 0.66 1.56 -2.88 0.00 0.00 179.24 178.05 1ug8 h GLN 15 N -0.27 0.40 -0.03 0.28 4.20 -0.40 0.18 115.11 119.47 1ug8 h GLN 15 Ca 0.16 -0.02 -0.03 0.00 0.06 0.00 0.00 58.65 58.81 1ug8 h GLN 15 Cb 0.52 -0.09 0.00 0.00 0.30 0.00 0.00 27.48 28.21 1ug8 h GLN 15 CO -0.48 0.27 -0.09 0.28 -0.67 0.00 0.00 178.83 178.13 1ug8 h VAL 16 N 0.41 1.46 -0.99 -0.54 2.07 0.73 -3.18 116.25 116.21 1ug8 h VAL 16 Ca 0.61 -1.50 0.28 0.00 0.82 0.00 0.00 66.70 66.91 1ug8 h VAL 16 Cb 1.50 2.38 -0.18 0.00 -1.52 0.00 0.00 31.29 33.47 1ug8 h VAL 16 CO -0.34 0.41 0.04 0.40 0.02 0.00 0.00 177.57 178.10 1ug8 h ILE 17 N -0.44 0.01 -0.47 4.57 1.08 0.27 1.27 117.51 123.81 1ug8 h ILE 17 Ca -0.00 -0.00 0.09 0.00 -0.39 0.00 0.00 64.86 64.56 1ug8 h ILE 17 Cb 0.71 0.01 -0.08 0.00 -3.07 0.00 0.00 36.82 34.39 1ug8 h ILE 17 CO 0.02 0.00 -0.01 -0.33 -0.69 0.00 0.00 178.15 177.14 1ug8 h GLU 18 N 0.00 0.10 -0.60 2.37 4.39 -1.38 0.59 114.58 120.06 1ug8 h GLU 18 Ca 0.61 -0.01 0.06 0.00 0.34 0.00 0.00 59.36 60.36 1ug8 h GLU 18 Cb 1.27 -0.02 -0.05 0.00 -0.10 0.00 0.00 28.75 29.84 1ug8 h GLU 18 CO -0.93 0.07 0.31 0.87 -1.16 0.00 0.00 179.01 178.17 1ug8 h LYS 19 N 0.10 0.57 0.58 2.33 1.57 0.15 -0.42 116.57 121.45 1ug8 h LYS 19 Ca 0.24 -0.03 -0.03 0.00 -1.87 0.00 0.00 60.65 58.95 1ug8 h LYS 19 Cb 0.35 -0.13 0.01 0.00 0.08 0.00 0.00 32.23 32.54 1ug8 h LYS 19 CO -0.40 0.37 -0.28 0.82 -0.57 0.00 0.00 179.45 179.40 1ug8 h ILE 20 N 0.58 0.00 -0.93 1.86 2.04 0.16 0.20 117.51 121.41 1ug8 h ILE 20 Ca 0.27 -0.07 0.12 0.00 1.00 0.00 0.00 64.86 66.18 1ug8 h ILE 20 Cb 0.18 0.00 -0.14 0.00 -0.74 0.00 0.00 36.82 36.13 1ug8 h ILE 20 CO -0.18 0.00 -0.43 -0.62 0.00 0.00 0.00 178.15 176.91 1ug8 n GLU 21 N -4.27 -0.29 0.05 2.37 1.02 0.19 0.10 120.64 119.81 1ug8 n GLU 21 Ca -0.10 1.43 -0.11 0.00 -0.02 0.00 0.00 57.16 58.36 1ug8 n GLU 21 Cb 0.31 -2.11 -0.04 0.00 -0.02 0.00 0.00 31.44 29.57 1ug8 n GLU 21 CO 0.00 0.00 0.00 0.22 1.18 0.00 0.00 177.13 178.53 1ug8 h ASP 22 N 0.00 -0.68 -0.86 1.62 1.82 -1.04 0.55 116.42 117.84 1ug8 h ASP 22 Ca 0.26 0.10 0.15 0.00 -0.39 0.00 0.00 57.03 57.15 1ug8 h ASP 22 Cb 0.50 0.28 -0.06 0.00 0.68 0.00 0.00 39.33 40.72 1ug8 h ASP 22 CO -0.91 -0.30 0.56 0.15 -1.61 0.00 0.00 179.24 177.13 1ug8 h PHE 23 N -0.36 0.70 -0.22 0.28 3.57 0.22 0.91 116.94 122.05 1ug8 h PHE 23 Ca 0.06 0.02 -0.20 0.00 3.53 0.00 0.00 57.97 61.39 1ug8 h PHE 23 Cb 0.44 -0.22 0.01 0.00 2.79 0.00 0.00 35.95 38.97 1ug8 h PHE 23 CO -0.27 0.25 -0.63 -0.07 -2.23 0.00 0.00 178.31 175.36 1ug8 h LEU 24 N 0.59 0.94 -0.06 0.59 3.38 0.23 -3.23 115.31 117.74 1ug8 h LEU 24 Ca 0.43 -0.58 0.03 0.00 0.09 0.00 0.00 57.88 57.85 1ug8 h LEU 24 Cb 0.81 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 41.25 1ug8 h LEU 24 CO -0.18 1.35 -0.10 1.56 0.09 0.00 0.00 178.44 181.15 1ug8 h GLN 25 N 0.57 -0.14 -6.79 1.13 1.08 0.24 -3.42 115.11 107.77 1ug8 h GLN 25 Ca -0.02 0.01 -0.57 0.00 -1.45 0.00 0.00 58.65 56.62 1ug8 h GLN 25 Cb 1.25 0.03 0.15 0.00 -0.05 0.00 0.00 27.48 28.86 1ug8 h GLN 25 CO 0.14 -0.10 0.22 0.45 -0.95 0.00 0.00 178.83 178.59 1ug8 n SER 26 N -5.24 1.28 -0.09 1.46 2.88 -0.30 -4.96 113.62 108.66 1ug8 n SER 26 Ca -0.04 0.92 -0.11 0.00 -1.33 0.00 0.00 58.87 58.31 1ug8 n SER 26 Cb 0.16 -1.41 -0.05 0.00 -0.75 0.00 0.00 64.21 62.17 1ug8 n SER 26 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02 1ug8 n GLU 27 N -0.54 0.50 -0.16 -1.46 2.13 -1.26 -4.44 120.64 115.41 1ug8 n GLU 27 Ca 0.11 0.47 -0.04 0.00 0.66 0.00 0.00 57.16 58.37 1ug8 n GLU 27 Cb 0.44 -1.65 0.03 0.00 0.27 0.00 0.00 31.44 30.53 1ug8 n GLU 27 CO 0.00 0.00 0.00 1.49 -0.41 0.00 0.00 177.13 178.21 1ug8 h GLU 28 N -1.00 -0.06 -6.01 5.31 4.81 -1.95 -3.41 114.58 112.27 1ug8 h GLU 28 Ca -0.12 0.00 -0.82 0.00 -0.13 0.00 0.00 59.36 58.29 1ug8 h GLU 28 Cb 0.83 0.01 0.03 0.00 0.63 0.00 0.00 28.75 30.26 1ug8 h GLU 28 CO -0.08 -0.04 0.32 1.63 -0.73 0.00 0.00 179.01 180.12 1ug8 n LYS 29 N -5.39 0.04 -0.02 1.92 5.02 -1.26 -4.83 118.16 113.64 1ug8 n LYS 29 Ca 0.04 0.02 -0.03 0.00 -2.02 0.00 0.00 58.31 56.32 1ug8 n LYS 29 Cb 0.29 -1.52 -0.03 0.00 -0.02 0.00 0.00 35.03 33.75 1ug8 n LYS 29 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1ug8 n ARG 30 N 2.53 2.18 -3.73 1.97 5.12 -1.26 -4.95 116.66 118.52 1ug8 n ARG 30 Ca 0.24 0.01 -0.13 0.00 -1.93 0.00 0.00 57.85 56.05 1ug8 n ARG 30 Cb 0.03 -1.11 -0.13 0.00 -1.16 0.00 0.00 32.46 30.09 1ug8 n ARG 30 CO 0.00 0.00 0.00 -1.12 -1.93 0.00 0.00 177.63 174.58 1ug8 s SER 31 N -3.87 -0.20 0.14 0.55 0.01 -1.26 -0.70 113.70 108.37 1ug8 s SER 31 Ca -0.04 0.49 -0.02 0.00 1.31 0.00 0.00 55.95 57.69 1ug8 s SER 31 Cb 0.01 0.39 -0.05 0.00 0.21 0.00 0.00 66.02 66.58 1ug8 s SER 31 CO 0.15 -0.17 0.34 -0.22 0.41 0.00 0.00 173.24 173.75 1ug8 s LEU 32 N 1.32 4.28 -0.12 2.44 2.96 0.99 -4.91 118.68 125.65 1ug8 s LEU 32 Ca -0.09 0.44 -0.00 0.00 -0.22 0.00 0.00 54.13 54.26 1ug8 s LEU 32 Cb -0.11 -3.17 0.02 0.00 0.50 0.00 0.00 46.19 43.44 1ug8 s LEU 32 CO -0.08 0.05 -0.10 -1.61 -1.32 0.00 0.00 176.35 173.29 1ug8 s GLU 33 N -2.84 1.78 0.69 1.98 2.02 -1.26 0.68 118.70 121.74 1ug8 s GLU 33 Ca 0.39 -0.36 -0.01 0.00 0.02 0.00 0.00 54.97 55.01 1ug8 s GLU 33 Cb -0.12 -1.74 0.11 0.00 0.10 0.00 0.00 34.13 32.48 1ug8 s GLU 33 CO 0.27 -0.24 0.95 -0.51 0.02 0.00 0.00 175.26 175.75 1ug8 s LEU 34 N 1.57 3.03 0.36 1.80 1.43 -0.29 -5.02 118.68 121.55 1ug8 s LEU 34 Ca 0.04 -0.27 -0.12 0.00 -1.03 0.00 0.00 54.13 52.75 1ug8 s LEU 34 Cb -0.13 -2.19 -0.07 0.00 0.03 0.00 0.00 46.19 43.82 1ug8 s LEU 34 CO -0.08 -1.71 0.73 1.51 0.23 0.00 0.00 176.35 177.03 1ug8 s ASP 35 N -4.67 6.61 -0.40 2.29 1.47 -1.26 -4.45 116.67 116.27 1ug8 s ASP 35 Ca 0.64 1.15 -0.29 0.00 1.18 0.00 0.00 52.55 55.24 1ug8 s ASP 35 Cb -0.06 -2.33 0.01 0.00 -0.34 0.00 0.00 42.92 40.20 1ug8 s ASP 35 CO 0.43 -0.30 1.40 -2.16 0.68 0.00 0.00 175.17 175.22 1ug8 s PRO 36 N -3.45 3.61 0.00 2.11 0.04 -1.26 -4.48 135.00 131.57 1ug8 s PRO 36 Ca 0.52 0.97 0.00 0.00 0.04 0.00 0.00 61.00 62.53 1ug8 s PRO 36 Cb -0.10 -4.01 0.00 0.00 0.04 0.00 0.00 34.50 30.43 1ug8 s PRO 36 CO 0.26 -1.52 0.00 0.00 0.04 0.00 0.00 177.00 175.77 1ug8 h THR 38 N -0.57 0.00 0.00 0.00 1.35 -1.94 -3.49 112.91 108.26 1ug8 h THR 38 Ca 0.00 -0.78 0.00 0.00 -0.55 0.00 0.00 66.41 65.08 1ug8 h THR 38 Cb 0.00 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 66.42 1ug8 h THR 38 CO 0.00 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.88 1ug8 n GLY 39 N 1.74 -1.70 0.34 5.82 0.00 -1.26 -4.97 105.19 105.16 1ug8 n GLY 39 Ca -0.03 0.64 -0.09 0.00 0.00 0.00 0.00 46.02 46.54 1ug8 n GLY 39 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1ug8 h PHE 40 N 0.00 -1.51 -0.65 1.61 3.57 -2.00 0.29 116.94 118.24 1ug8 h PHE 40 Ca 0.00 0.10 0.14 0.00 3.53 0.00 0.00 57.97 61.74 1ug8 h PHE 40 Cb 0.00 0.75 -0.11 0.00 2.79 0.00 0.00 35.95 39.39 1ug8 h PHE 40 CO 0.00 -0.32 0.05 1.96 -2.23 0.00 0.00 178.31 177.77 1ug8 h GLN 41 N -0.06 0.16 -0.79 1.11 7.50 -1.99 0.14 115.11 121.17 1ug8 h GLN 41 Ca 0.12 -0.01 0.16 0.00 0.50 0.00 0.00 58.65 59.41 1ug8 h GLN 41 Cb 0.36 -0.04 -0.15 0.00 0.05 0.00 0.00 27.48 27.70 1ug8 h GLN 41 CO -0.71 0.10 -0.21 -0.09 -1.50 0.00 0.00 178.83 176.42 1ug8 h ARG 42 N 0.16 -0.01 -0.96 1.46 2.43 -0.83 1.07 114.38 117.71 1ug8 h ARG 42 Ca 0.35 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.52 1ug8 h ARG 42 Cb 0.58 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 30.08 1ug8 h ARG 42 CO -0.53 -0.01 0.61 0.87 -1.51 0.00 0.00 179.97 179.40 1ug8 h LYS 43 N -0.01 1.28 -0.19 0.20 1.57 -0.24 -1.55 116.57 117.63 1ug8 h LYS 43 Ca 0.38 -0.10 0.01 0.00 -1.87 0.00 0.00 60.65 59.07 1ug8 h LYS 43 Cb 0.58 -0.28 -0.01 0.00 0.08 0.00 0.00 32.23 32.60 1ug8 h LYS 43 CO -0.82 0.87 0.11 -0.07 -0.57 0.00 0.00 179.45 178.97 1ug8 h LEU 44 N 1.31 0.18 0.19 2.94 3.38 0.16 0.60 115.31 124.07 1ug8 h LEU 44 Ca 0.35 0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.33 1ug8 h LEU 44 Cb -0.10 -0.04 -0.04 0.00 0.09 0.00 0.00 40.66 40.57 1ug8 h LEU 44 CO -0.07 0.14 -0.41 0.40 0.09 0.00 0.00 178.44 178.58 1ug8 h ILE 45 N 0.23 0.17 -0.75 1.22 2.04 0.30 0.43 117.51 121.14 1ug8 h ILE 45 Ca 0.07 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.98 1ug8 h ILE 45 Cb -0.01 0.17 -0.05 0.00 -0.74 0.00 0.00 36.82 36.19 1ug8 h ILE 45 CO -0.03 0.00 0.46 1.88 0.00 0.00 0.00 178.15 180.46 1ug8 h TYR 46 N -0.70 0.86 0.09 1.37 0.05 -1.07 0.89 116.97 118.45 1ug8 h TYR 46 Ca 0.01 0.03 0.01 0.00 0.05 0.00 0.00 58.73 58.82 1ug8 h TYR 46 Cb 0.69 -0.28 -0.02 0.00 1.01 0.00 0.00 36.73 38.14 1ug8 h TYR 46 CO -0.33 0.46 -0.15 1.96 -1.05 0.00 0.00 178.16 179.05 1ug8 h GLN 47 N 0.87 -0.28 0.69 4.88 1.08 0.97 0.23 115.11 123.55 1ug8 h GLN 47 Ca 0.32 0.02 -0.03 0.00 -1.45 0.00 0.00 58.65 57.50 1ug8 h GLN 47 Cb 0.10 0.06 0.01 0.00 -0.05 0.00 0.00 27.48 27.60 1ug8 h GLN 47 CO -0.15 -0.19 -0.34 1.15 -0.95 0.00 0.00 178.83 178.36 1ug8 h THR 48 N -0.29 0.00 -0.35 -0.54 2.02 0.27 -1.73 112.91 112.28 1ug8 h THR 48 Ca 0.02 0.00 0.10 0.00 0.77 0.00 0.00 66.41 67.30 1ug8 h THR 48 Cb 0.31 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 66.70 1ug8 h THR 48 CO -0.08 0.00 0.60 -0.07 0.37 0.00 0.00 175.52 176.34 1ug8 h LEU 49 N -0.94 0.00 -0.87 2.58 3.38 -0.81 1.70 115.31 120.36 1ug8 h LEU 49 Ca -0.09 0.00 0.11 0.00 0.09 0.00 0.00 57.88 57.99 1ug8 h LEU 49 Cb 0.72 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.39 1ug8 h LEU 49 CO 0.15 0.00 0.50 -1.28 0.09 0.00 0.00 178.44 177.90 1ug8 h SER 50 N 0.00 0.70 0.00 -0.43 0.87 0.42 0.37 113.55 115.47 1ug8 h SER 50 Ca 0.17 0.06 -0.17 0.00 -1.23 0.00 0.00 61.79 60.61 1ug8 h SER 50 Cb 1.37 -0.07 -0.03 0.00 -0.44 0.00 0.00 62.40 63.22 1ug8 h SER 50 CO -0.00 0.37 -1.65 -2.67 -0.53 0.00 0.00 176.83 172.35 1ug8 n TRP 51 N -4.74 0.00 -0.20 2.24 4.27 0.15 -3.65 117.44 115.51 1ug8 n TRP 51 Ca 0.16 0.00 0.03 0.00 -3.89 0.00 0.00 57.50 53.79 1ug8 n TRP 51 Cb 0.33 -0.46 0.29 0.00 -1.36 0.00 0.00 31.31 30.11 1ug8 n TRP 51 CO 0.00 0.00 0.00 0.87 -2.29 0.00 0.00 177.69 176.27 1ug8 h LYS 52 N 0.00 0.88 -1.18 -2.67 1.57 0.23 -3.36 116.57 112.04 1ug8 h LYS 52 Ca -0.26 -0.05 -0.23 0.00 -1.87 0.00 0.00 60.65 58.24 1ug8 h LYS 52 Cb 1.54 -0.20 -0.20 0.00 0.08 0.00 0.00 32.23 33.46 1ug8 h LYS 52 CO 0.00 0.58 -0.57 0.66 -0.57 0.00 0.00 179.45 179.55 1ug8 n TYR 53 N -4.45 -3.35 0.03 -1.35 4.01 0.13 -4.95 117.16 107.23 1ug8 n TYR 53 Ca 0.09 -1.70 -0.16 0.00 -0.16 0.00 0.00 57.90 55.97 1ug8 n TYR 53 Cb 0.11 1.29 -0.06 0.00 -0.31 0.00 0.00 39.34 40.36 1ug8 n TYR 53 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 1ug8 h PRO 54 N 5.05 0.62 -3.58 -0.72 0.13 -1.60 -3.42 132.00 128.48 1ug8 h PRO 54 Ca 0.08 -0.60 -0.44 0.00 -0.87 0.00 0.00 66.00 64.17 1ug8 h PRO 54 Cb 1.07 0.15 -0.39 0.00 0.13 0.00 0.00 31.00 31.97 1ug8 h PRO 54 CO 0.08 1.21 -0.76 -1.59 -0.23 0.00 0.00 178.00 176.71 1ug8 s LYS 55 N -3.45 0.48 0.00 0.86 -2.85 -1.26 -4.83 119.74 108.68 1ug8 s LYS 55 Ca -0.08 0.05 0.00 0.00 -1.00 0.00 0.00 55.97 54.94 1ug8 s LYS 55 Cb 0.08 -1.14 0.00 0.00 -2.06 0.00 0.00 37.83 34.71 1ug8 s LYS 55 CO 0.89 -0.38 0.00 0.41 0.10 0.00 0.00 175.35 176.37 1ug8 n GLY 56 N 5.16 2.50 3.37 0.59 0.00 -1.26 -5.01 105.19 110.53 1ug8 n GLY 56 Ca -0.07 -0.29 -0.19 0.00 0.00 0.00 0.00 46.02 45.47 1ug8 n GLY 56 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1ug8 s ILE 57 N 0.00 1.20 -0.15 -0.61 -5.25 -1.26 -1.17 121.20 113.95 1ug8 s ILE 57 Ca 0.00 -2.05 -0.00 0.00 -0.99 0.00 0.00 60.65 57.61 1ug8 s ILE 57 Cb 0.00 -2.43 0.03 0.00 2.95 0.00 0.00 42.46 43.01 1ug8 s ILE 57 CO 0.00 -0.28 -0.10 -2.28 -1.79 0.00 0.00 174.94 170.50 1ug8 s HIS 58 N -3.31 1.89 -0.14 1.37 2.46 -0.76 -4.79 115.29 112.02 1ug8 s HIS 58 Ca 0.30 -1.10 -0.12 0.00 0.47 0.00 0.00 55.06 54.61 1ug8 s HIS 58 Cb 0.06 -1.43 -0.05 0.00 -0.13 0.00 0.00 32.58 31.03 1ug8 s HIS 58 CO 0.10 -0.62 0.25 0.08 -2.47 0.00 0.00 174.74 172.09 1ug8 s VAL 59 N 1.57 5.32 -0.03 0.89 1.01 -1.26 -0.05 120.40 127.85 1ug8 s VAL 59 Ca 0.03 0.47 -0.03 0.00 0.00 0.00 0.00 61.98 62.45 1ug8 s VAL 59 Cb -0.14 -3.57 0.01 0.00 0.00 0.00 0.00 36.38 32.68 1ug8 s VAL 59 CO -0.09 0.47 0.08 -1.83 0.00 0.00 0.00 175.10 173.72 1ug8 s GLU 60 N -0.06 0.09 -0.18 2.72 -1.05 0.19 -4.99 118.70 115.43 1ug8 s GLU 60 Ca 0.16 0.11 -0.03 0.00 -0.15 0.00 0.00 54.97 55.06 1ug8 s GLU 60 Cb -0.13 0.04 -0.02 0.00 -0.44 0.00 0.00 34.13 33.58 1ug8 s GLU 60 CO 0.04 -0.01 -0.05 0.99 0.95 0.00 0.00 175.26 177.18 1ug8 s THR 61 N 0.06 3.55 0.08 1.83 2.01 -1.26 0.74 115.64 122.65 1ug8 s THR 61 Ca -0.00 -0.46 0.07 0.00 0.31 0.00 0.00 61.69 61.61 1ug8 s THR 61 Cb -0.01 -2.57 -0.03 0.00 0.01 0.00 0.00 72.50 69.90 1ug8 s THR 61 CO -0.00 0.47 -0.19 -0.76 -0.69 0.00 0.00 174.62 173.45 1ug8 s LEU 62 N 0.82 2.26 -0.13 4.42 2.01 -0.39 -4.92 118.68 122.75 1ug8 s LEU 62 Ca -0.02 -0.63 0.01 0.00 0.01 0.00 0.00 54.13 53.51 1ug8 s LEU 62 Cb -0.15 -0.80 -0.00 0.00 0.01 0.00 0.00 46.19 45.25 1ug8 s LEU 62 CO 0.01 0.05 -0.18 -0.70 1.01 0.00 0.00 176.35 176.54 1ug8 s GLU 63 N -1.69 3.21 0.00 1.70 2.12 -1.26 0.65 118.70 123.43 1ug8 s GLU 63 Ca 0.04 -0.77 0.00 0.00 0.36 0.00 0.00 54.97 54.60 1ug8 s GLU 63 Cb -0.10 -2.52 0.00 0.00 0.26 0.00 0.00 34.13 31.77 1ug8 s GLU 63 CO 0.03 0.12 0.00 0.25 -0.54 0.00 0.00 175.26 175.12 1ug8 n THR 64 N 3.74 0.00 -0.04 -1.70 -2.24 -1.22 -4.85 114.28 107.97 1ug8 n THR 64 Ca -0.19 0.00 -0.03 0.00 -2.27 0.00 0.00 64.05 61.56 1ug8 n THR 64 Cb 0.52 0.00 -0.01 0.00 -2.10 0.00 0.00 70.33 68.74 1ug8 n THR 64 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1ug8 n ASP 65 N 0.00 1.01 -0.09 3.42 2.03 -1.26 -4.14 116.55 117.52 1ug8 n ASP 65 Ca 0.00 0.40 -0.16 0.00 0.52 0.00 0.00 54.79 55.54 1ug8 n ASP 65 Cb 0.00 -0.69 -0.13 0.00 -0.72 0.00 0.00 41.12 39.58 1ug8 n ASP 65 CO 0.00 0.00 0.00 2.29 -1.92 0.00 0.00 177.20 177.57 1ug8 n LYS 66 N -3.55 0.68 0.13 -0.67 2.85 -1.26 -4.19 118.16 112.14 1ug8 n LYS 66 Ca -0.05 0.15 0.05 0.00 -1.05 0.00 0.00 58.31 57.41 1ug8 n LYS 66 Cb 0.18 -1.58 0.48 0.00 -0.65 0.00 0.00 35.03 33.46 1ug8 n LYS 66 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 177.40 178.22 1ug8 h LYS 67 N 0.02 0.26 0.00 -1.58 1.79 -1.99 -3.48 116.57 111.59 1ug8 h LYS 67 Ca -0.52 -0.03 0.04 0.00 -2.18 0.00 0.00 60.65 57.97 1ug8 h LYS 67 Cb 2.01 -0.05 -0.01 0.00 -1.58 0.00 0.00 32.23 32.60 1ug8 h LYS 67 CO -0.01 0.25 -0.06 0.39 -1.08 0.00 0.00 179.45 178.94 1ug8 n GLU 68 N -4.43 -0.32 -1.53 3.15 1.02 -1.26 -4.18 120.64 113.09 1ug8 n GLU 68 Ca -0.00 0.21 -0.36 0.00 -0.02 0.00 0.00 57.16 56.99 1ug8 n GLU 68 Cb 0.14 -0.39 -0.08 0.00 -0.02 0.00 0.00 31.44 31.10 1ug8 n GLU 68 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1ug8 n ARG 69 N -1.45 0.64 -4.53 3.49 1.74 -1.24 -3.37 116.66 111.93 1ug8 n ARG 69 Ca 0.00 -0.06 -0.30 0.00 -0.77 0.00 0.00 57.85 56.73 1ug8 n ARG 69 Cb 0.07 -2.75 -0.13 0.00 -1.02 0.00 0.00 32.46 28.63 1ug8 n ARG 69 CO 0.00 0.00 0.00 -3.38 -1.52 0.00 0.00 177.63 172.73 1ug8 s HIS 70 N 10.96 2.41 0.15 -1.55 -3.43 0.21 -4.41 115.29 119.62 1ug8 s HIS 70 Ca 1.11 -0.34 -0.22 0.00 -0.80 0.00 0.00 55.06 54.82 1ug8 s HIS 70 Cb -0.55 -1.34 -0.08 0.00 -1.43 0.00 0.00 32.58 29.19 1ug8 s HIS 70 CO 0.33 0.29 0.69 0.42 -2.00 0.00 0.00 174.74 174.47 1ug8 s ILE 71 N -1.00 4.55 -0.01 -5.38 1.01 -1.26 -1.27 121.20 117.84 1ug8 s ILE 71 Ca 0.15 1.42 0.01 0.00 0.00 0.00 0.00 60.65 62.22 1ug8 s ILE 71 Cb -0.10 -3.98 0.01 0.00 0.01 0.00 0.00 42.46 38.39 1ug8 s ILE 71 CO 0.06 0.45 -0.02 -0.69 0.00 0.00 0.00 174.94 174.74 1ug8 s VAL 72 N -1.24 0.19 0.17 2.92 1.01 0.23 -1.14 120.40 122.54 1ug8 s VAL 72 Ca 0.35 -0.05 0.07 0.00 0.00 0.00 0.00 61.98 62.35 1ug8 s VAL 72 Cb -0.20 -0.20 -0.04 0.00 0.00 0.00 0.00 36.38 35.94 1ug8 s VAL 72 CO 0.22 0.08 0.02 -0.63 0.00 0.00 0.00 175.10 174.80 1ug8 s ILE 73 N 0.24 3.86 0.13 2.22 1.09 0.21 0.57 121.20 129.52 1ug8 s ILE 73 Ca -0.02 -1.36 0.01 0.00 -1.10 0.00 0.00 60.65 58.17 1ug8 s ILE 73 Cb -0.04 -2.95 -0.04 0.00 -1.06 0.00 0.00 42.46 38.37 1ug8 s ILE 73 CO -0.01 -0.11 -0.01 -0.55 -0.10 0.00 0.00 174.94 174.17 1ug8 s SER 74 N -2.98 0.93 -0.21 3.58 0.15 0.92 -0.00 113.70 116.09 1ug8 s SER 74 Ca 0.28 -1.12 -0.23 0.00 0.70 0.00 0.00 55.95 55.58 1ug8 s SER 74 Cb -0.09 0.16 -0.02 0.00 -1.71 0.00 0.00 66.02 64.36 1ug8 s SER 74 CO 0.19 -0.58 0.74 -0.54 1.20 0.00 0.00 173.24 174.25 1ug8 s LYS 75 N -3.92 4.21 0.32 5.44 1.02 0.12 -1.83 119.74 125.10 1ug8 s LYS 75 Ca 0.19 0.80 0.08 0.00 0.02 0.00 0.00 55.97 57.06 1ug8 s LYS 75 Cb 0.06 -3.60 -0.06 0.00 -0.52 0.00 0.00 37.83 33.71 1ug8 s LYS 75 CO 0.00 -0.36 -0.06 0.08 -0.92 0.00 0.00 175.35 174.09 1ug8 s VAL 76 N 2.30 1.88 0.09 3.17 1.01 -0.32 -4.85 120.40 123.69 1ug8 s VAL 76 Ca 0.33 -2.14 -0.11 0.00 0.00 0.00 0.00 61.98 60.06 1ug8 s VAL 76 Cb -0.16 -2.60 0.01 0.00 0.00 0.00 0.00 36.38 33.63 1ug8 s VAL 76 CO 0.10 -0.21 0.26 -0.62 0.00 0.00 0.00 175.10 174.62 1ug8 s ASP 77 N -3.54 -0.00 0.00 3.32 -1.08 -1.26 -4.52 116.67 109.60 1ug8 s ASP 77 Ca 0.32 -0.52 0.00 0.00 -0.52 0.00 0.00 52.55 51.83 1ug8 s ASP 77 Cb 0.04 0.38 0.00 0.00 -1.46 0.00 0.00 42.92 41.88 1ug8 s ASP 77 CO 0.15 -0.75 1.00 -0.62 0.52 0.00 0.00 175.17 175.46 1ug8 n GLU 78 N -0.05 0.00 -0.22 4.34 1.02 -1.26 -2.04 120.64 122.44 1ug8 n GLU 78 Ca -0.16 0.56 -0.03 0.00 -0.02 0.00 0.00 57.16 57.51 1ug8 n GLU 78 Cb 0.62 -1.50 0.03 0.00 -0.02 0.00 0.00 31.44 30.58 1ug8 n GLU 78 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 1ug8 h GLU 79 N 0.00 -0.10 -0.95 3.49 4.39 -2.01 -0.56 114.58 118.84 1ug8 h GLU 79 Ca 0.00 0.01 0.11 0.00 0.34 0.00 0.00 59.36 59.82 1ug8 h GLU 79 Cb 0.00 0.02 -0.13 0.00 -0.10 0.00 0.00 28.75 28.54 1ug8 h GLU 79 CO 0.00 -0.07 -0.48 -1.91 -1.16 0.00 0.00 179.01 175.39 1ug8 n GLU 80 N -5.45 -0.33 -1.93 2.33 4.07 -1.18 -4.25 120.64 113.90 1ug8 n GLU 80 Ca 0.06 1.44 -0.42 0.00 -0.06 0.00 0.00 57.16 58.18 1ug8 n GLU 80 Cb 0.36 -2.12 -0.03 0.00 -0.06 0.00 0.00 31.44 29.59 1ug8 n GLU 80 CO 0.00 0.00 0.00 0.50 -0.06 0.00 0.00 177.13 177.57 1ug8 s ARG 81 N -5.65 4.22 -0.24 5.31 6.06 -0.22 -4.92 118.95 123.51 1ug8 s ARG 81 Ca -0.12 2.37 -0.18 0.00 -2.50 0.00 0.00 55.73 55.30 1ug8 s ARG 81 Cb 0.14 -3.13 -0.16 0.00 0.06 0.00 0.00 34.95 31.86 1ug8 s ARG 81 CO 0.62 -0.57 -0.02 0.43 -2.50 0.00 0.00 175.30 173.26 1ug8 n SER 82 N 3.49 1.90 -4.42 -2.12 7.64 -1.26 -4.93 113.62 113.92 1ug8 n SER 82 Ca 0.12 0.39 -0.34 0.00 1.01 0.00 0.00 58.87 60.04 1ug8 n SER 82 Cb 0.39 -0.91 0.10 0.00 -1.01 0.00 0.00 64.21 62.78 1ug8 n SER 82 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ug8 n GLY 83 N 1.36 -1.92 3.77 0.23 0.00 -1.26 -4.98 105.19 102.40 1ug8 n GLY 83 Ca -0.41 -0.61 -0.30 0.00 0.00 0.00 0.00 46.02 44.70 1ug8 n GLY 83 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1ug8 s PRO 84 N -3.23 -0.04 -0.17 1.61 0.04 -1.26 -5.04 135.00 126.90 1ug8 s PRO 84 Ca 0.60 -0.16 -0.14 0.00 0.04 0.00 0.00 61.00 61.34 1ug8 s PRO 84 Cb -0.26 -1.74 -0.07 0.00 0.04 0.00 0.00 34.50 32.46 1ug8 s PRO 84 CO 0.64 -2.91 -0.17 -1.13 0.04 0.00 0.00 177.00 173.47 1ug8 n SER 85 N -4.17 1.86 -0.02 6.66 3.41 -1.26 -4.71 113.62 115.39 1ug8 n SER 85 Ca 0.13 0.50 -0.04 0.00 -0.26 0.00 0.00 58.87 59.20 1ug8 n SER 85 Cb 0.59 -0.85 -0.03 0.00 -0.26 0.00 0.00 64.21 63.66 1ug8 n SER 85 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1ug8 h SER 86 N -1.00 -0.07 0.00 4.04 0.02 -2.05 -3.54 113.55 110.95 1ug8 h SER 86 Ca -0.12 -0.20 0.00 0.00 -0.84 0.00 0.00 61.79 60.63 1ug8 h SER 86 Cb 0.86 0.02 0.00 0.00 0.14 0.00 0.00 62.40 63.42 1ug8 h SER 86 CO -0.07 0.52 0.00 0.61 -1.14 0.00 0.00 176.83 176.74