#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uj8 s HIS 5 N 0.00 2.37 0.31 1.43 0.09 -1.26 -4.52 115.29 113.72 1uj8 s HIS 5 Ca 0.00 -0.69 -0.29 0.00 -0.00 0.00 0.00 55.06 54.08 1uj8 s HIS 5 Cb 0.00 -1.86 -0.10 0.00 -0.00 0.00 0.00 32.58 30.62 1uj8 s HIS 5 CO 0.00 0.19 1.23 -1.01 -0.00 0.00 0.00 174.74 175.15 1uj8 s HIS 6 N -2.69 3.23 0.65 1.40 0.09 -1.26 -4.45 115.29 112.27 1uj8 s HIS 6 Ca 0.33 1.52 0.02 0.00 -0.00 0.00 0.00 55.06 56.93 1uj8 s HIS 6 Cb 0.04 -3.54 0.10 0.00 -0.00 0.00 0.00 32.58 29.18 1uj8 s HIS 6 CO 0.18 -1.40 0.90 -1.01 -0.00 0.00 0.00 174.74 173.42 1uj8 s HIS 7 N -1.15 1.81 -0.38 1.40 3.76 -1.26 -5.05 115.29 114.42 1uj8 s HIS 7 Ca 0.47 -0.32 0.09 0.00 -0.15 0.00 0.00 55.06 55.15 1uj8 s HIS 7 Cb -0.37 -2.78 0.44 0.00 1.11 0.00 0.00 32.58 30.97 1uj8 s HIS 7 CO 0.49 -1.42 1.10 0.72 -0.85 0.00 0.00 174.74 174.77 1uj8 n HIS 8 N -2.61 2.78 -2.15 1.40 -0.00 -1.26 -5.07 115.22 108.31 1uj8 n HIS 8 Ca 0.14 -2.85 -0.35 0.00 -0.00 0.00 0.00 57.72 54.66 1uj8 n HIS 8 Cb 0.61 -0.19 0.01 0.00 -0.00 0.00 0.00 29.99 30.42 1uj8 n HIS 8 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 1uj8 s HIS 9 N -3.49 2.64 -0.13 4.41 3.76 -1.26 -4.94 115.29 116.29 1uj8 s HIS 9 Ca 0.44 1.54 0.17 0.00 -0.15 0.00 0.00 55.06 57.06 1uj8 s HIS 9 Cb 0.41 -3.28 -0.11 0.00 1.11 0.00 0.00 32.58 30.72 1uj8 s HIS 9 CO -0.10 -1.63 0.92 0.45 -0.85 0.00 0.00 174.74 173.53 1uj8 h HIS 10 N 0.96 0.00 -3.01 1.40 -0.00 -1.97 -3.47 115.15 109.06 1uj8 h HIS 10 Ca -0.49 0.00 -0.45 0.00 -0.00 0.00 0.00 60.37 59.42 1uj8 h HIS 10 Cb 1.26 0.00 0.05 0.00 -0.00 0.00 0.00 27.41 28.72 1uj8 h HIS 10 CO 0.52 0.55 0.04 0.20 -0.00 0.00 0.00 177.93 179.24 1uj8 s GLY 11 N -4.73 1.70 0.00 2.45 0.00 -1.26 -5.00 107.32 100.48 1uj8 s GLY 11 Ca -0.02 -1.07 0.25 0.00 0.00 0.00 0.00 44.72 43.88 1uj8 s GLY 11 CO 0.80 -0.79 1.43 -1.14 0.00 0.00 0.00 173.10 173.40 1uj8 n SER 12 N -2.44 0.59 -4.74 1.64 3.41 -1.26 -4.92 113.62 105.90 1uj8 n SER 12 Ca 0.06 -0.36 -0.41 0.00 -0.26 0.00 0.00 58.87 57.89 1uj8 n SER 12 Cb 0.59 0.24 -0.03 0.00 -0.26 0.00 0.00 64.21 64.75 1uj8 n SER 12 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1uj8 s GLY 13 N -2.92 2.55 -0.01 5.00 0.00 -1.26 -4.73 107.32 105.95 1uj8 s GLY 13 Ca 0.13 1.11 0.01 0.00 0.00 0.00 0.00 44.72 45.97 1uj8 s GLY 13 CO 0.67 2.02 -0.00 1.08 0.00 0.00 0.00 173.10 176.87 1uj8 s LEU 14 N -0.35 3.50 0.26 0.66 1.43 0.18 -4.86 118.68 119.51 1uj8 s LEU 14 Ca 0.55 -0.00 0.09 0.00 -1.03 0.00 0.00 54.13 53.74 1uj8 s LEU 14 Cb -0.36 -2.00 -0.04 0.00 0.03 0.00 0.00 46.19 43.82 1uj8 s LEU 14 CO 0.40 0.29 0.05 -0.54 0.23 0.00 0.00 176.35 176.77 1uj8 s LYS 15 N -1.51 2.45 0.52 1.70 -0.14 -1.26 -0.45 119.74 121.05 1uj8 s LYS 15 Ca 0.19 -1.33 0.28 0.00 -1.36 0.00 0.00 55.97 53.75 1uj8 s LYS 15 Cb -0.11 -2.26 1.41 0.00 -1.68 0.00 0.00 37.83 35.18 1uj8 s LYS 15 CO 0.10 0.37 1.93 -1.49 -0.76 0.00 0.00 175.35 175.49 1uj8 h TRP 16 N 1.78 0.06 0.00 3.18 4.06 -1.96 0.19 115.95 123.27 1uj8 h TRP 16 Ca -0.45 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.50 1uj8 h TRP 16 Cb 1.25 -0.02 0.00 0.00 -1.00 0.00 0.00 29.16 29.39 1uj8 h TRP 16 CO 0.65 0.02 0.00 0.25 -3.56 0.00 0.00 178.44 175.80 1uj8 n THR 17 N -4.33 0.25 -1.79 1.49 -2.24 -1.26 -4.23 114.28 102.17 1uj8 n THR 17 Ca 0.15 0.03 -0.41 0.00 -2.27 0.00 0.00 64.05 61.56 1uj8 n THR 17 Cb 0.80 -0.62 -0.01 0.00 -2.10 0.00 0.00 70.33 68.41 1uj8 n THR 17 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1uj8 n ASP 18 N -1.56 6.02 -0.08 3.42 8.00 0.05 -4.78 116.55 127.63 1uj8 n ASP 18 Ca 0.06 -2.87 -0.07 0.00 0.71 0.00 0.00 54.79 52.62 1uj8 n ASP 18 Cb 0.31 -1.55 -0.00 0.00 -0.02 0.00 0.00 41.12 39.86 1uj8 n ASP 18 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 1uj8 h SER 19 N 5.48 -0.43 0.03 -2.24 0.02 -1.82 -1.69 113.55 112.91 1uj8 h SER 19 Ca 0.63 0.11 0.00 0.00 -0.84 0.00 0.00 61.79 61.69 1uj8 h SER 19 Cb 0.49 0.25 -0.01 0.00 0.14 0.00 0.00 62.40 63.27 1uj8 h SER 19 CO 1.75 -0.16 -0.05 -0.09 -1.14 0.00 0.00 176.83 177.14 1uj8 h ARG 20 N -0.07 -0.10 -0.74 3.45 9.65 -1.79 -0.92 114.38 123.85 1uj8 h ARG 20 Ca 0.15 0.01 0.01 0.00 -1.10 0.00 0.00 59.98 59.05 1uj8 h ARG 20 Cb 0.30 0.02 -0.04 0.00 -1.39 0.00 0.00 29.97 28.87 1uj8 h ARG 20 CO -0.35 -0.06 0.49 0.93 2.80 0.00 0.00 179.97 183.77 1uj8 h GLU 21 N -0.10 0.98 -0.26 0.20 3.07 -1.82 -0.18 114.58 116.47 1uj8 h GLU 21 Ca 0.01 -0.06 -0.09 0.00 -0.50 0.00 0.00 59.36 58.72 1uj8 h GLU 21 Cb 0.10 -0.22 -0.01 0.00 -0.84 0.00 0.00 28.75 27.79 1uj8 h GLU 21 CO -0.02 0.66 -0.17 0.82 -1.40 0.00 0.00 179.01 178.89 1uj8 h ILE 22 N 1.01 1.31 -0.79 3.13 2.04 -1.20 -1.43 117.51 121.57 1uj8 h ILE 22 Ca 0.27 -1.29 0.01 0.00 1.00 0.00 0.00 64.86 64.84 1uj8 h ILE 22 Cb -0.11 1.59 -0.04 0.00 -0.74 0.00 0.00 36.82 37.52 1uj8 h ILE 22 CO -0.06 0.41 0.51 1.23 0.00 0.00 0.00 178.15 180.24 1uj8 h GLY 23 N 0.29 1.12 1.12 5.37 0.00 -0.97 -0.61 103.07 109.40 1uj8 h GLY 23 Ca 0.05 -0.43 -0.07 0.00 0.00 0.00 0.00 47.33 46.88 1uj8 h GLY 23 CO 0.05 0.42 0.15 0.83 0.00 0.00 0.00 176.54 177.99 1uj8 h GLU 24 N 1.08 1.09 -0.43 4.80 5.08 -0.95 -1.80 114.58 123.44 1uj8 h GLU 24 Ca 0.29 -0.26 -0.02 0.00 -1.00 0.00 0.00 59.36 58.37 1uj8 h GLU 24 Cb -0.11 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 28.98 1uj8 h GLU 24 CO -0.06 0.97 0.21 0.00 -1.00 0.00 0.00 179.01 179.12 1uj8 h ALA 25 N 1.13 0.56 -0.69 3.43 0.00 -0.61 0.44 119.26 123.52 1uj8 h ALA 25 Ca 0.21 -0.11 -0.05 0.00 0.00 0.00 0.00 54.91 54.96 1uj8 h ALA 25 Cb 0.38 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 1uj8 h ALA 25 CO 0.00 0.13 0.25 -0.07 0.00 0.00 0.00 179.25 179.56 1uj8 h LEU 26 N 0.56 0.97 -0.60 0.00 3.38 -0.94 -0.63 115.31 118.06 1uj8 h LEU 26 Ca 0.15 -0.19 -0.09 0.00 0.09 0.00 0.00 57.88 57.84 1uj8 h LEU 26 Cb 0.12 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.60 1uj8 h LEU 26 CO -0.02 0.90 0.01 0.22 0.09 0.00 0.00 178.44 179.64 1uj8 h TYR 27 N 0.99 1.14 -0.39 1.13 3.20 -1.04 0.50 116.97 122.50 1uj8 h TYR 27 Ca 0.23 -0.19 -0.11 0.00 3.14 0.00 0.00 58.73 61.79 1uj8 h TYR 27 Cb 0.25 -0.30 -0.01 0.00 1.54 0.00 0.00 36.73 38.21 1uj8 h TYR 27 CO 0.02 1.01 -0.22 0.22 -1.64 0.00 0.00 178.16 177.54 1uj8 h ASP 28 N 0.95 0.78 0.44 -2.11 3.58 -0.66 -2.63 116.42 116.77 1uj8 h ASP 28 Ca 0.17 -0.28 -0.25 0.00 0.42 0.00 0.00 57.03 57.09 1uj8 h ASP 28 Cb 0.54 -0.21 0.01 0.00 1.72 0.00 0.00 39.33 41.39 1uj8 h ASP 28 CO 0.03 0.98 -1.08 0.00 -2.88 0.00 0.00 179.24 176.29 1uj8 h ALA 29 N 1.08 0.24 -2.13 -0.78 0.00 -0.91 -3.38 119.26 113.37 1uj8 h ALA 29 Ca 0.09 -0.78 -0.58 0.00 0.00 0.00 0.00 54.91 53.64 1uj8 h ALA 29 Cb 0.73 0.00 -0.41 0.00 0.00 0.00 0.00 17.79 18.11 1uj8 h ALA 29 CO 0.06 0.87 -0.78 0.66 0.00 0.00 0.00 179.25 180.05 1uj8 n TYR 30 N -3.67 2.26 -0.21 0.00 0.53 0.15 -4.99 117.16 111.23 1uj8 n TYR 30 Ca -0.08 -3.94 0.23 0.00 -1.02 0.00 0.00 57.90 53.09 1uj8 n TYR 30 Cb 0.92 -0.48 0.60 0.00 -1.03 0.00 0.00 39.34 39.34 1uj8 n TYR 30 CO 0.00 0.00 0.00 -1.00 -1.02 0.00 0.00 176.86 174.84 1uj8 h PRO 31 N 3.99 0.23 -0.20 -0.72 0.13 -1.66 -3.07 132.00 130.71 1uj8 h PRO 31 Ca 0.15 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.27 1uj8 h PRO 31 Cb 0.73 -0.05 0.00 0.00 0.13 0.00 0.00 31.00 31.81 1uj8 h PRO 31 CO 0.70 0.15 0.00 -0.25 -0.23 0.00 0.00 178.00 178.38 1uj8 n ASP 32 N -4.42 2.64 -4.67 1.44 8.00 -1.26 -4.96 116.55 113.31 1uj8 n ASP 32 Ca 0.19 -2.13 -0.41 0.00 0.71 0.00 0.00 54.79 53.15 1uj8 n ASP 32 Cb 0.79 -0.18 -0.04 0.00 -0.02 0.00 0.00 41.12 41.67 1uj8 n ASP 32 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1uj8 s LEU 33 N -1.23 4.19 -0.38 0.64 2.96 -1.16 -5.00 118.68 118.70 1uj8 s LEU 33 Ca 0.17 1.11 -0.29 0.00 -0.22 0.00 0.00 54.13 54.90 1uj8 s LEU 33 Cb 0.10 -3.15 0.00 0.00 0.50 0.00 0.00 46.19 43.64 1uj8 s LEU 33 CO 0.09 -0.34 1.51 -0.62 -1.32 0.00 0.00 176.35 175.67 1uj8 s ASP 34 N 1.13 6.25 0.40 3.68 2.15 -1.26 -4.89 116.67 124.13 1uj8 s ASP 34 Ca 0.36 1.01 0.16 0.00 0.43 0.00 0.00 52.55 54.51 1uj8 s ASP 34 Cb -0.17 -2.54 1.04 0.00 -0.30 0.00 0.00 42.92 40.96 1uj8 s ASP 34 CO 0.13 -1.47 1.83 -0.65 -0.17 0.00 0.00 175.17 174.84 1uj8 h PRO 35 N 11.16 0.44 -0.12 4.34 0.11 -1.94 -1.34 132.00 144.65 1uj8 h PRO 35 Ca -0.29 -0.03 0.03 0.00 0.11 0.00 0.00 66.00 65.82 1uj8 h PRO 35 Cb 1.12 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 32.13 1uj8 h PRO 35 CO 1.07 0.29 0.10 0.87 -0.21 0.00 0.00 178.00 180.12 1uj8 h LYS 36 N 0.46 0.00 -0.01 1.05 1.57 -1.92 -1.41 116.57 116.30 1uj8 h LYS 36 Ca 0.51 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.29 1uj8 h LYS 36 Cb 1.19 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.50 1uj8 h LYS 36 CO -0.22 0.00 -0.23 0.25 -0.57 0.00 0.00 179.45 178.68 1uj8 n THR 37 N -4.21 0.00 -2.66 -0.16 -2.24 -0.50 -4.92 114.28 99.58 1uj8 n THR 37 Ca -0.00 -0.10 -0.41 0.00 -2.27 0.00 0.00 64.05 61.27 1uj8 n THR 37 Cb 0.21 0.23 -0.04 0.00 -2.10 0.00 0.00 70.33 68.64 1uj8 n THR 37 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1uj8 s VAL 38 N -2.54 4.43 0.12 2.28 1.01 -0.54 -5.04 120.40 120.12 1uj8 s VAL 38 Ca 0.24 1.94 -0.15 0.00 0.00 0.00 0.00 61.98 64.01 1uj8 s VAL 38 Cb 0.19 -4.24 -0.07 0.00 0.00 0.00 0.00 36.38 32.27 1uj8 s VAL 38 CO 0.52 0.26 0.54 -0.13 0.00 0.00 0.00 175.10 176.29 1uj8 s ARG 39 N 0.24 4.01 0.29 2.72 0.52 -1.26 -4.96 118.95 120.51 1uj8 s ARG 39 Ca 0.49 0.53 0.02 0.00 -0.52 0.00 0.00 55.73 56.25 1uj8 s ARG 39 Cb -0.24 -3.01 0.57 0.00 0.52 0.00 0.00 34.95 32.78 1uj8 s ARG 39 CO 0.30 0.53 1.85 0.74 0.02 0.00 0.00 175.30 178.74 1uj8 h PHE 40 N 3.83 1.11 -0.80 -0.53 0.05 -1.98 -0.43 116.94 118.19 1uj8 h PHE 40 Ca -0.49 0.03 0.06 0.00 3.82 0.00 0.00 57.97 61.39 1uj8 h PHE 40 Cb 1.20 -0.35 -0.06 0.00 2.00 0.00 0.00 35.95 38.73 1uj8 h PHE 40 CO 0.66 0.46 0.48 1.79 -0.18 0.00 0.00 178.31 181.52 1uj8 h THR 41 N 0.98 1.02 -0.00 -1.55 1.35 -2.00 0.58 112.91 113.29 1uj8 h THR 41 Ca 0.48 -0.30 -0.03 0.00 -0.55 0.00 0.00 66.41 66.01 1uj8 h THR 41 Cb 0.47 0.06 0.00 0.00 -1.73 0.00 0.00 68.15 66.95 1uj8 h THR 41 CO -0.24 0.16 -0.11 0.44 -0.25 0.00 0.00 175.52 175.52 1uj8 h ASP 42 N 0.88 0.10 -0.94 5.36 3.32 -1.77 -3.24 116.42 120.13 1uj8 h ASP 42 Ca 0.35 -0.78 0.10 0.00 0.02 0.00 0.00 57.03 56.72 1uj8 h ASP 42 Cb 0.18 -0.03 -0.08 0.00 0.22 0.00 0.00 39.33 39.62 1uj8 h ASP 42 CO -0.18 0.87 0.58 -0.03 -1.72 0.00 0.00 179.24 178.76 1uj8 h MET 43 N -0.66 0.93 -0.56 3.56 4.05 -0.92 -0.74 114.93 120.59 1uj8 h MET 43 Ca -0.01 -0.06 0.08 0.00 -0.28 0.00 0.00 59.70 59.43 1uj8 h MET 43 Cb 0.88 -0.21 -0.07 0.00 -0.80 0.00 0.00 31.60 31.41 1uj8 h MET 43 CO 0.02 0.62 0.20 1.25 0.23 0.00 0.00 176.91 179.23 1uj8 h HIS 44 N 0.96 0.34 -0.52 1.39 -0.00 -0.97 0.28 115.15 116.63 1uj8 h HIS 44 Ca 0.45 0.03 -0.09 0.00 -0.00 0.00 0.00 60.37 60.76 1uj8 h HIS 44 Cb 0.38 -0.07 -0.02 0.00 -0.00 0.00 0.00 27.41 27.71 1uj8 h HIS 44 CO -0.02 0.09 -0.02 1.96 -0.00 0.00 0.00 177.93 179.94 1uj8 h GLN 45 N 0.37 0.94 -0.80 5.26 1.08 -1.22 -1.71 115.11 119.03 1uj8 h GLN 45 Ca 0.28 -0.31 -0.05 0.00 -1.45 0.00 0.00 58.65 57.12 1uj8 h GLN 45 Cb 0.33 -0.08 -0.04 0.00 -0.05 0.00 0.00 27.48 27.65 1uj8 h GLN 45 CO -0.29 0.96 0.32 -1.49 -0.95 0.00 0.00 178.83 177.38 1uj8 h TRP 46 N 0.81 1.22 -0.45 2.96 6.55 -0.51 -2.23 115.95 124.30 1uj8 h TRP 46 Ca 0.15 -0.09 -0.07 0.00 0.95 0.00 0.00 58.89 59.82 1uj8 h TRP 46 Cb 0.55 -0.37 -0.02 0.00 -0.86 0.00 0.00 29.16 28.47 1uj8 h TRP 46 CO 0.04 0.92 -0.00 0.82 -1.05 0.00 0.00 178.44 179.17 1uj8 h ILE 47 N 1.17 1.26 0.00 1.49 2.04 -0.81 -2.64 117.51 120.02 1uj8 h ILE 47 Ca 0.27 -1.05 -0.01 0.00 1.00 0.00 0.00 64.86 65.07 1uj8 h ILE 47 Cb 0.22 1.04 -0.00 0.00 -0.74 0.00 0.00 36.82 37.34 1uj8 h ILE 47 CO -0.02 0.36 -0.05 0.00 0.00 0.00 0.00 178.15 178.44 1uj8 n ASP 49 N -3.41 1.05 -4.77 0.00 8.00 -0.86 -4.87 116.55 111.69 1uj8 n ASP 49 Ca -0.02 -0.86 -0.41 0.00 0.71 0.00 0.00 54.79 54.21 1uj8 n ASP 49 Cb 0.19 0.23 -0.01 0.00 -0.02 0.00 0.00 41.12 41.51 1uj8 n ASP 49 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1uj8 s LEU 50 N -2.60 4.35 0.24 0.64 1.43 -0.70 -4.89 118.68 117.14 1uj8 s LEU 50 Ca 0.21 2.95 -0.05 0.00 -1.03 0.00 0.00 54.13 56.21 1uj8 s LEU 50 Cb 0.19 -3.66 0.42 0.00 0.03 0.00 0.00 46.19 43.17 1uj8 s LEU 50 CO 0.57 -0.81 1.76 -0.08 0.23 0.00 0.00 176.35 178.02 1uj8 h GLU 51 N 3.40 0.54 -0.00 1.70 4.81 -1.91 -1.77 114.58 121.34 1uj8 h GLU 51 Ca -0.50 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 58.70 1uj8 h GLU 51 Cb 1.23 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 30.49 1uj8 h GLU 51 CO 0.67 0.35 -0.05 -0.25 -0.73 0.00 0.00 179.01 179.00 1uj8 n ASP 52 N -4.91 0.13 -4.69 1.04 8.00 -1.26 -4.86 116.55 110.00 1uj8 n ASP 52 Ca 0.13 -0.12 -0.42 0.00 0.71 0.00 0.00 54.79 55.09 1uj8 n ASP 52 Cb 0.36 -0.25 -0.03 0.00 -0.02 0.00 0.00 41.12 41.17 1uj8 n ASP 52 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 1uj8 s PHE 53 N -2.65 2.02 -0.32 1.24 5.36 -0.67 0.48 117.98 123.45 1uj8 s PHE 53 Ca 0.25 -0.09 0.17 0.00 -0.96 0.00 0.00 56.93 56.30 1uj8 s PHE 53 Cb 0.20 -4.19 0.47 0.00 -0.34 0.00 0.00 43.02 39.15 1uj8 s PHE 53 CO 0.49 -4.99 1.02 -3.47 -1.46 0.00 0.00 175.22 166.81 1uj8 n ASP 54 N 5.94 1.99 -3.03 6.13 2.03 0.40 -4.77 116.55 125.24 1uj8 n ASP 54 Ca 0.18 -2.68 -0.16 0.00 0.52 0.00 0.00 54.79 52.64 1uj8 n ASP 54 Cb 0.38 -0.50 -0.05 0.00 -0.72 0.00 0.00 41.12 40.24 1uj8 n ASP 54 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 1uj8 n ASP 55 N -0.28 1.12 -4.65 1.67 -0.08 -1.24 -4.75 116.55 108.34 1uj8 n ASP 55 Ca 0.13 -2.41 -0.39 0.00 -1.51 0.00 0.00 54.79 50.61 1uj8 n ASP 55 Cb 0.81 0.68 -0.08 0.00 2.34 0.00 0.00 41.12 44.86 1uj8 n ASP 55 CO 0.00 0.00 0.00 -1.81 0.12 0.00 0.00 177.20 175.51 1uj8 s ASP 56 N -2.63 6.42 0.41 1.67 1.01 -1.26 -4.96 116.67 117.32 1uj8 s ASP 56 Ca 0.14 0.50 0.17 0.00 0.71 0.00 0.00 52.55 54.06 1uj8 s ASP 56 Cb 0.01 -2.24 1.06 0.00 1.01 0.00 0.00 42.92 42.75 1uj8 s ASP 56 CO 0.10 -0.13 1.83 -0.65 0.21 0.00 0.00 175.17 176.53 1uj8 h PRO 57 N 7.57 0.42 0.00 8.23 0.11 -2.00 0.12 132.00 146.46 1uj8 h PRO 57 Ca -0.34 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.74 1uj8 h PRO 57 Cb 1.16 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 32.17 1uj8 h PRO 57 CO 0.71 0.28 -0.02 0.37 -0.21 0.00 0.00 178.00 179.12 1uj8 h GLN 58 N 0.44 0.00 0.00 1.05 -0.00 -2.03 -3.26 115.11 111.31 1uj8 h GLN 58 Ca 0.50 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 59.15 1uj8 h GLN 58 Cb 1.21 0.00 0.00 0.00 0.00 0.00 0.00 27.48 28.69 1uj8 h GLN 58 CO -0.21 0.02 0.00 0.00 0.00 0.00 0.00 178.83 178.64 1uj8 n ALA 59 N -2.11 2.59 -1.98 3.38 0.00 0.03 -4.87 120.51 117.54 1uj8 n ALA 59 Ca -0.01 -0.14 -0.27 0.00 0.00 0.00 0.00 53.44 53.02 1uj8 n ALA 59 Cb 0.25 -1.37 0.05 0.00 0.00 0.00 0.00 19.45 18.38 1uj8 n ALA 59 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1uj8 s SER 60 N -1.75 5.21 0.24 0.00 1.04 -1.23 -5.04 113.70 112.18 1uj8 s SER 60 Ca 0.34 0.69 -0.15 0.00 0.48 0.00 0.00 55.95 57.30 1uj8 s SER 60 Cb 0.16 -1.49 0.01 0.00 0.10 0.00 0.00 66.02 64.79 1uj8 s SER 60 CO 0.26 -1.36 0.54 0.54 0.98 0.00 0.00 173.24 174.20 1uj8 s ASN 61 N -4.41 -0.15 0.45 7.02 2.20 -1.26 -5.04 114.94 113.75 1uj8 s ASN 61 Ca 0.57 -0.78 0.10 0.00 -0.94 0.00 0.00 52.86 51.82 1uj8 s ASN 61 Cb -0.11 0.61 1.01 0.00 -2.00 0.00 0.00 41.25 40.77 1uj8 s ASN 61 CO 0.46 -1.17 2.09 -0.33 -2.94 0.00 0.00 177.10 175.22 1uj8 h GLU 62 N 2.19 0.34 -0.48 3.55 5.08 -1.98 -1.39 114.58 121.89 1uj8 h GLU 62 Ca -0.25 -0.02 -0.10 0.00 -1.00 0.00 0.00 59.36 57.99 1uj8 h GLU 62 Cb 1.25 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 30.41 1uj8 h GLU 62 CO 0.33 0.23 -0.11 0.87 -1.00 0.00 0.00 179.01 179.33 1uj8 h LYS 63 N 0.35 0.93 -0.26 2.33 1.57 -1.99 0.48 116.57 119.98 1uj8 h LYS 63 Ca 0.09 -0.35 -0.02 0.00 -1.87 0.00 0.00 60.65 58.51 1uj8 h LYS 63 Cb -0.04 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.20 1uj8 h LYS 63 CO -0.02 1.01 0.09 0.82 -0.57 0.00 0.00 179.45 180.78 1uj8 h ILE 64 N 0.78 1.18 -0.22 1.86 2.04 -1.79 -2.25 117.51 119.12 1uj8 h ILE 64 Ca 0.12 -0.57 -0.13 0.00 1.00 0.00 0.00 64.86 65.29 1uj8 h ILE 64 Cb 0.66 1.08 -0.01 0.00 -0.74 0.00 0.00 36.82 37.81 1uj8 h ILE 64 CO 0.05 0.19 -0.40 -0.07 0.00 0.00 0.00 178.15 177.92 1uj8 h LEU 65 N 0.25 0.53 -0.79 1.44 3.38 -1.15 -2.71 115.31 116.26 1uj8 h LEU 65 Ca 0.08 -0.23 -0.09 0.00 0.09 0.00 0.00 57.88 57.73 1uj8 h LEU 65 Cb 0.21 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 1uj8 h LEU 65 CO -0.00 0.87 -0.06 -0.08 0.09 0.00 0.00 178.44 179.26 1uj8 h GLU 66 N 0.42 0.85 -0.53 1.13 4.57 -0.81 -0.16 114.58 120.05 1uj8 h GLU 66 Ca 0.04 -0.27 -0.01 0.00 -1.18 0.00 0.00 59.36 57.94 1uj8 h GLU 66 Cb 0.88 -0.08 -0.03 0.00 -0.16 0.00 0.00 28.75 29.36 1uj8 h GLU 66 CO 0.07 0.89 0.30 0.00 -1.18 0.00 0.00 179.01 179.10 1uj8 h ALA 67 N 1.15 0.67 -0.49 2.92 0.00 -1.24 -0.43 119.26 121.85 1uj8 h ALA 67 Ca 0.14 -0.08 -0.08 0.00 0.00 0.00 0.00 54.91 54.89 1uj8 h ALA 67 Cb 0.55 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 1uj8 h ALA 67 CO 0.03 0.18 -0.01 0.82 0.00 0.00 0.00 179.25 180.27 1uj8 h ILE 68 N 0.70 1.26 -0.84 0.00 2.04 -1.19 -2.30 117.51 117.19 1uj8 h ILE 68 Ca 0.19 -1.08 -0.03 0.00 1.00 0.00 0.00 64.86 64.93 1uj8 h ILE 68 Cb 0.02 0.99 -0.04 0.00 -0.74 0.00 0.00 36.82 37.05 1uj8 h ILE 68 CO -0.03 0.38 0.41 0.25 0.00 0.00 0.00 178.15 179.16 1uj8 h LEU 69 N 0.73 1.09 -1.16 1.44 5.85 -0.71 -1.06 115.31 121.48 1uj8 h LEU 69 Ca 0.14 -0.13 -0.08 0.00 0.84 0.00 0.00 57.88 58.65 1uj8 h LEU 69 Cb 0.52 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.26 1uj8 h LEU 69 CO 0.03 0.91 -0.31 -0.07 -0.34 0.00 0.00 178.44 178.66 1uj8 h LEU 70 N 1.19 0.19 -0.24 2.25 3.38 -0.88 -0.43 115.31 120.77 1uj8 h LEU 70 Ca 0.29 -0.06 -0.13 0.00 0.09 0.00 0.00 57.88 58.06 1uj8 h LEU 70 Cb 0.11 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 40.80 1uj8 h LEU 70 CO -0.04 0.50 -0.37 0.58 0.09 0.00 0.00 178.44 179.20 1uj8 h VAL 71 N 0.17 1.31 -0.57 1.22 2.07 -0.87 -1.83 116.25 117.76 1uj8 h VAL 71 Ca 0.02 -1.58 0.00 0.00 0.82 0.00 0.00 66.70 65.97 1uj8 h VAL 71 Cb 0.64 1.75 -0.03 0.00 -1.52 0.00 0.00 31.29 32.12 1uj8 h VAL 71 CO 0.05 0.50 0.36 -0.25 0.02 0.00 0.00 177.57 178.25 1uj8 h TRP 72 N 0.38 0.73 -0.90 1.57 2.91 -0.87 0.58 115.95 120.35 1uj8 h TRP 72 Ca 0.02 0.01 0.02 0.00 1.13 0.00 0.00 58.89 60.07 1uj8 h TRP 72 Cb 0.96 -0.24 -0.05 0.00 -0.51 0.00 0.00 29.16 29.32 1uj8 h TRP 72 CO 0.08 0.48 0.59 1.25 -1.03 0.00 0.00 178.44 179.81 1uj8 h LEU 73 N 0.77 0.99 -0.37 0.65 6.46 -0.99 -0.19 115.31 122.62 1uj8 h LEU 73 Ca 0.21 -0.01 -0.04 0.00 -0.12 0.00 0.00 57.88 57.91 1uj8 h LEU 73 Cb -0.06 -0.23 -0.01 0.00 -0.73 0.00 0.00 40.66 39.62 1uj8 h LEU 73 CO -0.04 0.69 0.07 -0.78 -0.62 0.00 0.00 178.44 177.76 1uj8 h ASP 74 N 1.16 0.58 0.17 1.25 3.58 -0.50 -2.78 116.42 119.87 1uj8 h ASP 74 Ca 0.35 -0.25 -0.06 0.00 0.42 0.00 0.00 57.03 57.49 1uj8 h ASP 74 Cb -0.05 -0.15 -0.01 0.00 1.72 0.00 0.00 39.33 40.84 1uj8 h ASP 74 CO -0.10 0.68 -0.23 -0.33 -2.88 0.00 0.00 179.24 176.38 1uj8 h GLU 75 N 0.45 0.13 0.00 0.28 4.39 -0.48 -3.51 114.58 115.84 1uj8 h GLU 75 Ca 0.11 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.78 1uj8 h GLU 75 Cb 0.34 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 28.98 1uj8 h GLU 75 CO 0.01 0.37 0.00 0.00 -1.16 0.00 0.00 179.01 178.22