#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hb8 h GLN 2 N 0.00 0.87 -0.21 4.33 5.75 -2.00 -2.00 115.11 121.85 1hb8 h GLN 2 Ca 0.00 -0.42 0.00 0.00 -0.15 0.00 0.00 58.65 58.08 1hb8 h GLN 2 Cb 0.00 -0.00 -0.01 0.00 1.07 0.00 0.00 27.48 28.54 1hb8 h GLN 2 CO 0.00 1.07 0.13 0.00 -2.65 0.00 0.00 178.83 177.38 1hb8 h ALA 3 N 0.79 0.26 -0.64 3.38 0.00 -2.05 0.45 119.26 121.44 1hb8 h ALA 3 Ca 0.07 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.91 1hb8 h ALA 3 Cb 0.86 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.53 1hb8 h ALA 3 CO 0.07 -0.25 0.18 0.93 0.00 0.00 0.00 179.25 180.18 1hb8 h GLU 4 N 0.27 0.99 -0.05 0.00 5.08 -1.99 -1.91 114.58 116.98 1hb8 h GLU 4 Ca 0.07 -0.21 -0.00 0.00 -1.00 0.00 0.00 59.36 58.22 1hb8 h GLU 4 Cb -0.02 -0.15 -0.00 0.00 0.50 0.00 0.00 28.75 29.08 1hb8 h GLU 4 CO -0.02 0.87 0.02 0.35 -1.00 0.00 0.00 179.01 179.23 1hb8 h PHE 5 N 0.95 0.07 -0.29 4.33 3.57 -0.97 -0.95 116.94 123.65 1hb8 h PHE 5 Ca 0.21 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.69 1hb8 h PHE 5 Cb 0.31 -0.02 -0.02 0.00 2.79 0.00 0.00 35.95 39.01 1hb8 h PHE 5 CO 0.02 0.19 0.15 -0.44 -2.23 0.00 0.00 178.31 176.00 1hb8 h ASP 6 N -0.08 0.35 -0.23 0.41 3.32 -0.73 -0.27 116.42 119.20 1hb8 h ASP 6 Ca 0.02 -0.02 -0.12 0.00 0.02 0.00 0.00 57.03 56.92 1hb8 h ASP 6 Cb 0.15 -0.09 -0.00 0.00 0.22 0.00 0.00 39.33 39.61 1hb8 h ASP 6 CO -0.00 0.30 -0.34 0.50 -1.72 0.00 0.00 179.24 177.98 1hb8 h LYS 7 N 0.40 0.64 -0.57 3.56 3.64 -1.08 -2.76 116.57 120.40 1hb8 h LYS 7 Ca 0.10 -0.38 -0.05 0.00 -1.27 0.00 0.00 60.65 59.06 1hb8 h LYS 7 Cb 0.04 0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 31.87 1hb8 h LYS 7 CO -0.02 0.99 0.15 0.00 -2.27 0.00 0.00 179.45 178.31 1hb8 h ALA 8 N 0.64 1.20 0.00 5.00 0.00 -0.54 -0.77 119.26 124.79 1hb8 h ALA 8 Ca 0.02 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 54.71 1hb8 h ALA 8 Cb 0.93 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.49 1hb8 h ALA 8 CO 0.08 0.55 -0.12 0.00 0.00 0.00 0.00 179.25 179.76 1hb8 h ALA 9 N 1.33 1.58 0.13 0.00 0.00 -0.98 -1.02 119.26 120.29 1hb8 h ALA 9 Ca 0.19 -0.11 -0.21 0.00 0.00 0.00 0.00 54.91 54.77 1hb8 h ALA 9 Cb 0.28 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.06 1hb8 h ALA 9 CO -0.00 0.16 -1.01 0.93 0.00 0.00 0.00 179.25 179.32 1hb8 h GLU 10 N 0.00 0.27 -0.64 0.00 4.39 -1.04 -3.37 114.58 114.19 1hb8 h GLU 10 Ca -0.00 -0.46 -0.06 0.00 0.34 0.00 0.00 59.36 59.18 1hb8 h GLU 10 Cb 0.25 0.17 -0.03 0.00 -0.10 0.00 0.00 28.75 29.05 1hb8 h GLU 10 CO 0.02 1.22 0.17 0.93 -1.16 0.00 0.00 179.01 180.18 1hb8 h GLU 11 N -0.38 1.01 -0.01 2.33 5.08 -0.92 -2.68 114.58 119.01 1hb8 h GLU 11 Ca -0.20 -0.22 0.00 0.00 -1.00 0.00 0.00 59.36 57.94 1hb8 h GLU 11 Cb 1.66 -0.14 -0.00 0.00 0.50 0.00 0.00 28.75 30.77 1hb8 h GLU 11 CO 0.11 0.89 0.05 -0.24 -1.00 0.00 0.00 179.01 178.81 1hb8 h VAL 12 N 0.96 0.14 0.00 3.13 3.04 -1.34 0.11 116.25 122.28 1hb8 h VAL 12 Ca 0.21 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.90 1hb8 h VAL 12 Cb 0.33 0.96 0.00 0.00 -2.01 0.00 0.00 31.29 30.56 1hb8 h VAL 12 CO -0.00 0.00 0.00 0.29 -1.01 0.00 0.00 177.57 176.85 1hb8 n LYS 13 N -3.26 0.17 -0.20 4.17 5.02 -1.01 -3.13 118.16 119.92 1hb8 n LYS 13 Ca -0.03 0.34 0.12 0.00 -2.02 0.00 0.00 58.31 56.72 1hb8 n LYS 13 Cb 0.12 -1.79 0.23 0.00 -0.02 0.00 0.00 35.03 33.57 1hb8 n LYS 13 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 1hb8 n HIS 14 N -2.11 0.52 -1.65 2.13 8.25 0.36 -4.99 115.22 117.73 1hb8 n HIS 14 Ca 0.03 -0.26 -0.46 0.00 -0.26 0.00 0.00 57.72 56.77 1hb8 n HIS 14 Cb 0.26 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.34 1hb8 n HIS 14 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1hb8 n LEU 15 N 1.46 2.78 0.24 2.41 4.77 -1.18 -4.46 117.00 123.02 1hb8 n LEU 15 Ca 0.20 1.12 0.10 0.00 -0.03 0.00 0.00 56.01 57.40 1hb8 n LEU 15 Cb 0.60 -1.38 0.60 0.00 -2.33 0.00 0.00 43.42 40.91 1hb8 n LEU 15 CO 0.16 -0.57 0.89 0.11 -1.33 0.00 0.00 177.39 176.65 1hb8 h LYS 16 N 4.74 0.00 -4.07 3.23 1.57 -1.33 -3.45 116.57 117.25 1hb8 h LYS 16 Ca -0.45 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.22 1hb8 h LYS 16 Cb 1.28 0.00 -0.15 0.00 0.08 0.00 0.00 32.23 33.45 1hb8 h LYS 16 CO 0.80 0.19 -0.55 0.95 -0.57 0.00 0.00 179.45 180.26 1hb8 s THR 17 N -4.08 0.19 -0.02 -0.16 -4.23 -1.26 -5.11 115.64 100.96 1hb8 s THR 17 Ca -0.02 -1.56 -0.30 0.00 -1.18 0.00 0.00 61.69 58.63 1hb8 s THR 17 Cb 0.13 -1.47 -0.06 0.00 1.34 0.00 0.00 72.50 72.44 1hb8 s THR 17 CO 0.62 -0.84 1.61 -0.75 -0.54 0.00 0.00 174.62 174.72 1hb8 s LYS 18 N -3.90 4.20 1.01 3.99 2.20 -1.26 -5.00 119.74 120.98 1hb8 s LYS 18 Ca 0.07 2.18 -0.15 0.00 -0.36 0.00 0.00 55.97 57.71 1hb8 s LYS 18 Cb 0.07 -3.85 0.20 0.00 -1.51 0.00 0.00 37.83 32.74 1hb8 s LYS 18 CO -0.10 -0.78 1.15 -1.25 -0.36 0.00 0.00 175.35 174.00 1hb8 s PRO 19 N 3.52 0.29 0.71 4.03 0.04 -1.26 -5.01 135.00 137.32 1hb8 s PRO 19 Ca 0.72 0.13 -0.14 0.00 0.04 0.00 0.00 61.00 61.75 1hb8 s PRO 19 Cb -0.34 -1.75 0.03 0.00 0.04 0.00 0.00 34.50 32.47 1hb8 s PRO 19 CO 0.29 -2.74 1.12 0.00 0.04 0.00 0.00 177.00 175.71 1hb8 s ALA 20 N -3.23 2.31 0.23 8.56 0.00 -1.26 -4.79 121.76 123.57 1hb8 s ALA 20 Ca 0.67 0.53 -0.06 0.00 0.00 0.00 0.00 51.96 53.10 1hb8 s ALA 20 Cb -0.13 -3.34 0.34 0.00 0.00 0.00 0.00 23.12 20.00 1hb8 s ALA 20 CO 0.55 -1.57 1.79 0.22 0.00 0.00 0.00 175.76 176.75 1hb8 h ASP 21 N -0.41 0.55 0.16 0.00 3.58 -1.99 -0.71 116.42 117.60 1hb8 h ASP 21 Ca -0.46 0.05 -0.06 0.00 0.42 0.00 0.00 57.03 56.98 1hb8 h ASP 21 Cb 1.25 -0.05 -0.01 0.00 1.72 0.00 0.00 39.33 42.24 1hb8 h ASP 21 CO 0.52 0.32 -0.23 1.05 -2.88 0.00 0.00 179.24 178.02 1hb8 h GLU 22 N 0.68 0.13 -0.14 0.28 9.09 -1.99 -0.48 114.58 122.15 1hb8 h GLU 22 Ca 0.36 -0.04 -0.18 0.00 0.05 0.00 0.00 59.36 59.55 1hb8 h GLU 22 Cb 0.34 -0.01 0.01 0.00 -1.65 0.00 0.00 28.75 27.43 1hb8 h GLU 22 CO -0.25 0.36 -0.63 0.93 0.05 0.00 0.00 179.01 179.47 1hb8 h GLU 23 N 0.12 0.68 -0.56 1.06 5.08 -1.60 -1.85 114.58 117.51 1hb8 h GLU 23 Ca 0.02 -0.54 -0.00 0.00 -1.00 0.00 0.00 59.36 57.84 1hb8 h GLU 23 Cb 0.48 0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.81 1hb8 h GLU 23 CO 0.03 1.16 0.35 1.98 -1.00 0.00 0.00 179.01 181.53 1hb8 h MET 24 N 0.36 0.76 -0.19 2.33 4.05 -0.79 -1.42 114.93 120.03 1hb8 h MET 24 Ca -0.04 -0.06 -0.09 0.00 -0.28 0.00 0.00 59.70 59.23 1hb8 h MET 24 Cb 1.26 -0.16 -0.01 0.00 -0.80 0.00 0.00 31.60 31.89 1hb8 h MET 24 CO 0.13 0.54 -0.28 -0.07 0.23 0.00 0.00 176.91 177.46 1hb8 h LEU 25 N 0.76 0.37 -0.27 3.39 3.38 -1.07 -0.13 115.31 121.74 1hb8 h LEU 25 Ca 0.20 -0.13 -0.03 0.00 0.09 0.00 0.00 57.88 58.02 1hb8 h LEU 25 Cb -0.03 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 1hb8 h LEU 25 CO -0.04 0.65 0.06 0.15 0.09 0.00 0.00 178.44 179.36 1hb8 h PHE 26 N 0.33 0.45 -0.26 1.13 3.04 -0.90 -0.78 116.94 119.94 1hb8 h PHE 26 Ca 0.05 -0.05 -0.01 0.00 3.98 0.00 0.00 57.97 61.94 1hb8 h PHE 26 Cb 0.67 -0.13 -0.01 0.00 2.56 0.00 0.00 35.95 39.04 1hb8 h PHE 26 CO 0.02 0.51 0.14 0.82 -2.02 0.00 0.00 178.31 177.78 1hb8 h ILE 27 N 0.26 1.13 0.64 1.41 1.08 -0.95 -2.16 117.51 118.92 1hb8 h ILE 27 Ca 0.08 -0.35 -0.03 0.00 -0.39 0.00 0.00 64.86 64.17 1hb8 h ILE 27 Cb 0.28 0.88 0.01 0.00 -3.07 0.00 0.00 36.82 34.92 1hb8 h ILE 27 CO 0.00 0.13 -0.31 0.22 -0.69 0.00 0.00 178.15 177.50 1hb8 h TYR 28 N 0.31 -0.79 -0.57 1.37 3.20 -0.92 -1.09 116.97 118.48 1hb8 h TYR 28 Ca 0.09 -0.02 0.07 0.00 3.14 0.00 0.00 58.73 62.01 1hb8 h TYR 28 Cb 0.08 0.26 -0.06 0.00 1.54 0.00 0.00 36.73 38.56 1hb8 h TYR 28 CO -0.03 -0.47 0.26 0.66 -1.64 0.00 0.00 178.16 176.94 1hb8 h SER 29 N -0.92 0.33 0.54 -2.11 4.64 -1.17 -1.76 113.55 113.10 1hb8 h SER 29 Ca -0.09 0.05 -0.10 0.00 -0.47 0.00 0.00 61.79 61.18 1hb8 h SER 29 Cb 0.68 -0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.75 1hb8 h SER 29 CO 0.14 0.22 -0.50 0.45 -0.87 0.00 0.00 176.83 176.27 1hb8 h HIS 30 N 0.48 0.00 -0.27 4.77 3.86 -1.39 -0.84 115.15 121.76 1hb8 h HIS 30 Ca 0.27 0.00 -0.03 0.00 -1.16 0.00 0.00 60.37 59.45 1hb8 h HIS 30 Cb 0.24 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.70 1hb8 h HIS 30 CO -0.13 0.50 0.05 -0.92 0.86 0.00 0.00 177.93 178.30 1hb8 h TYR 31 N 0.00 0.47 -0.51 2.45 3.20 -0.47 -0.74 116.97 121.37 1hb8 h TYR 31 Ca -0.00 -0.06 -0.13 0.00 3.14 0.00 0.00 58.73 61.68 1hb8 h TYR 31 Cb 0.90 -0.13 -0.01 0.00 1.54 0.00 0.00 36.73 39.02 1hb8 h TYR 31 CO 0.00 0.54 -0.17 0.87 -1.64 0.00 0.00 178.16 177.75 1hb8 h LYS 32 N 0.27 1.02 -0.14 1.82 1.79 -1.18 -1.70 116.57 118.45 1hb8 h LYS 32 Ca 0.08 -0.41 -0.06 0.00 -2.18 0.00 0.00 60.65 58.08 1hb8 h LYS 32 Cb 0.31 -0.05 -0.01 0.00 -1.58 0.00 0.00 32.23 30.91 1hb8 h LYS 32 CO 0.00 1.10 -0.18 0.37 -1.08 0.00 0.00 179.45 179.66 1hb8 h GLN 33 N 0.89 0.24 0.00 3.15 5.75 -1.03 0.28 115.11 124.38 1hb8 h GLN 33 Ca 0.12 -0.06 -0.10 0.00 -0.15 0.00 0.00 58.65 58.46 1hb8 h GLN 33 Cb 0.75 -0.03 -0.02 0.00 1.07 0.00 0.00 27.48 29.26 1hb8 h GLN 33 CO 0.06 0.42 -0.62 0.00 -2.65 0.00 0.00 178.83 176.03 1hb8 h ALA 34 N 1.60 0.69 0.00 3.38 0.00 -0.92 -2.80 119.26 121.21 1hb8 h ALA 34 Ca 0.04 -0.45 -0.42 0.00 0.00 0.00 0.00 54.91 54.08 1hb8 h ALA 34 Cb 0.45 -0.01 -0.07 0.00 0.00 0.00 0.00 17.79 18.16 1hb8 h ALA 34 CO 0.03 0.58 -2.46 0.25 0.00 0.00 0.00 179.25 177.65 1hb8 n THR 35 N -3.13 1.45 -0.07 0.00 -2.24 -0.66 -4.75 114.28 104.88 1hb8 n THR 35 Ca 0.00 -0.45 -0.22 0.00 -2.27 0.00 0.00 64.05 61.11 1hb8 n THR 35 Cb 0.72 -1.65 -0.12 0.00 -2.10 0.00 0.00 70.33 67.18 1hb8 n THR 35 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 1hb8 n VAL 36 N -3.77 1.63 0.00 2.28 0.31 0.92 -5.09 118.33 114.61 1hb8 n VAL 36 Ca -0.49 -0.39 0.00 0.00 -0.01 0.00 0.00 64.34 63.45 1hb8 n VAL 36 Cb 0.92 -1.82 0.00 0.00 -0.91 0.00 0.00 33.84 32.02 1hb8 n VAL 36 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1hb8 n GLY 37 N 1.73 0.26 3.73 2.92 0.00 -0.91 -5.00 105.19 107.92 1hb8 n GLY 37 Ca -0.37 -1.88 -0.41 0.00 0.00 0.00 0.00 46.02 43.36 1hb8 n GLY 37 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1hb8 n ASP 38 N 0.00 3.00 -4.66 1.61 8.00 -1.26 -4.22 116.55 119.02 1hb8 n ASP 38 Ca 0.00 1.13 -0.48 0.00 0.71 0.00 0.00 54.79 56.15 1hb8 n ASP 38 Cb 0.00 -1.55 -0.05 0.00 -0.02 0.00 0.00 41.12 39.50 1hb8 n ASP 38 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1hb8 n ILE 39 N -0.13 0.06 -1.88 0.53 3.06 -1.26 -4.90 119.36 114.84 1hb8 n ILE 39 Ca 0.05 -0.01 0.05 0.00 -2.50 0.00 0.00 62.75 60.34 1hb8 n ILE 39 Cb 0.40 -1.42 0.10 0.00 0.54 0.00 0.00 39.64 39.26 1hb8 n ILE 39 CO 0.00 0.00 0.00 -0.46 -2.50 0.00 0.00 176.55 173.59 1hb8 n ASN 40 N 3.56 1.27 -4.56 9.51 6.94 -1.26 -5.08 115.26 125.65 1hb8 n ASN 40 Ca 0.18 -2.79 -0.26 0.00 -0.02 0.00 0.00 54.58 51.69 1hb8 n ASN 40 Cb 0.27 -0.38 -0.11 0.00 -2.36 0.00 0.00 39.78 37.20 1hb8 n ASN 40 CO 0.00 0.00 0.00 0.42 -1.03 0.00 0.00 177.26 176.65 1hb8 s THR 41 N -1.51 1.83 0.09 5.53 -4.23 -1.26 -5.13 115.64 110.97 1hb8 s THR 41 Ca 0.29 -2.04 -0.26 0.00 -1.18 0.00 0.00 61.69 58.50 1hb8 s THR 41 Cb 0.29 -2.86 -0.06 0.00 1.34 0.00 0.00 72.50 71.21 1hb8 s THR 41 CO -0.07 -0.05 0.79 -1.61 -0.54 0.00 0.00 174.62 173.14 1hb8 s GLU 42 N -3.74 4.55 0.21 3.99 0.41 -1.26 -5.01 118.70 117.85 1hb8 s GLU 42 Ca 0.35 1.14 -0.31 0.00 -0.41 0.00 0.00 54.97 55.74 1hb8 s GLU 42 Cb 0.08 -3.33 -0.10 0.00 -1.78 0.00 0.00 34.13 29.00 1hb8 s GLU 42 CO 0.17 0.38 1.48 0.50 -0.49 0.00 0.00 175.26 177.30 1hb8 s ARG 43 N -0.43 4.25 0.91 1.61 3.52 -1.26 -4.96 118.95 122.58 1hb8 s ARG 43 Ca 0.38 2.31 -0.10 0.00 -0.13 0.00 0.00 55.73 58.20 1hb8 s ARG 43 Cb -0.22 -3.13 0.14 0.00 -1.56 0.00 0.00 34.95 30.19 1hb8 s ARG 43 CO 0.25 -0.49 1.15 -1.25 -0.81 0.00 0.00 175.30 174.15 1hb8 s PRO 44 N 0.22 1.05 0.00 5.12 0.04 -1.26 -5.03 135.00 135.13 1hb8 s PRO 44 Ca 0.63 1.54 0.00 0.00 0.04 0.00 0.00 61.00 63.21 1hb8 s PRO 44 Cb -0.42 -1.73 0.00 0.00 0.04 0.00 0.00 34.50 32.39 1hb8 s PRO 44 CO 0.38 -2.61 0.00 0.41 0.04 0.00 0.00 177.00 175.22 1hb8 n GLY 45 N 0.17 6.68 7.00 0.56 0.00 -1.26 -4.82 105.19 113.51 1hb8 n GLY 45 Ca 0.12 -1.99 0.00 0.00 0.00 0.00 0.00 46.02 44.15 1hb8 n GLY 45 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1hb8 n MET 46 N 0.00 0.00 -0.76 1.61 2.81 -1.26 -2.31 117.12 117.21 1hb8 n MET 46 Ca 0.00 0.00 -0.02 0.00 -1.81 0.00 0.00 57.70 55.87 1hb8 n MET 46 Cb 0.00 0.00 0.25 0.00 -0.71 0.00 0.00 33.22 32.76 1hb8 n MET 46 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 1hb8 n LEU 47 N 0.00 4.99 -3.95 4.03 4.77 -1.26 -4.72 117.00 120.86 1hb8 n LEU 47 Ca 0.00 -2.57 -0.43 0.00 -0.03 0.00 0.00 56.01 52.98 1hb8 n LEU 47 Cb 0.00 -0.68 0.00 0.00 -2.33 0.00 0.00 43.42 40.41 1hb8 n LEU 47 CO 0.00 0.65 1.97 -0.67 -1.33 0.00 0.00 177.39 178.01 1hb8 n ASP 48 N 0.09 4.95 0.21 -1.43 2.03 -0.98 -4.70 116.55 116.73 1hb8 n ASP 48 Ca 0.29 -3.05 0.09 0.00 0.52 0.00 0.00 54.79 52.63 1hb8 n ASP 48 Cb 1.10 -1.52 0.40 0.00 -0.72 0.00 0.00 41.12 40.39 1hb8 n ASP 48 CO 0.00 0.00 0.00 -0.26 -1.92 0.00 0.00 177.20 175.02 1hb8 h PHE 49 N 6.02 0.00 -0.10 -0.67 0.04 -1.87 -0.56 116.94 119.80 1hb8 h PHE 49 Ca 0.41 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 61.16 1hb8 h PHE 49 Cb 0.67 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.82 1hb8 h PHE 49 CO 1.26 0.26 -0.01 -0.22 -0.60 0.00 0.00 178.31 179.00 1hb8 h LYS 50 N 0.00 0.18 -0.37 1.51 3.64 -2.00 -1.09 116.57 118.44 1hb8 h LYS 50 Ca -0.00 -0.06 -0.10 0.00 -1.27 0.00 0.00 60.65 59.22 1hb8 h LYS 50 Cb 0.82 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.61 1hb8 h LYS 50 CO 0.03 0.47 -0.16 0.78 -2.27 0.00 0.00 179.45 178.30 1hb8 h GLY 51 N -0.12 0.74 1.14 5.01 0.00 -1.89 -2.77 103.07 105.18 1hb8 h GLY 51 Ca 0.03 -0.58 -0.09 0.00 0.00 0.00 0.00 47.33 46.69 1hb8 h GLY 51 CO 0.01 0.53 0.01 0.50 0.00 0.00 0.00 176.54 177.59 1hb8 h LYS 52 N 0.61 1.03 -0.58 4.80 1.57 -1.00 -1.06 116.57 121.94 1hb8 h LYS 52 Ca 0.10 -0.31 -0.02 0.00 -1.87 0.00 0.00 60.65 58.55 1hb8 h LYS 52 Cb 0.62 -0.10 -0.03 0.00 0.08 0.00 0.00 32.23 32.81 1hb8 h LYS 52 CO 0.04 1.00 0.28 0.00 -0.57 0.00 0.00 179.45 180.20 1hb8 h ALA 53 N 1.06 0.74 -0.34 3.86 0.00 -1.07 -0.81 119.26 122.70 1hb8 h ALA 53 Ca 0.17 -0.13 -0.07 0.00 0.00 0.00 0.00 54.91 54.89 1hb8 h ALA 53 Cb 0.53 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1hb8 h ALA 53 CO 0.03 0.30 -0.06 0.87 0.00 0.00 0.00 179.25 180.39 1hb8 h LYS 54 N 0.78 0.64 -0.42 0.00 1.57 -1.33 -2.27 116.57 115.55 1hb8 h LYS 54 Ca 0.20 -0.24 -0.01 0.00 -1.87 0.00 0.00 60.65 58.73 1hb8 h LYS 54 Cb 0.11 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.36 1hb8 h LYS 54 CO -0.03 0.80 0.23 2.35 -0.57 0.00 0.00 179.45 182.23 1hb8 h TRP 55 N 0.43 0.57 -0.90 -1.35 7.01 -1.04 -2.03 115.95 118.65 1hb8 h TRP 55 Ca 0.09 -0.01 -0.02 0.00 2.11 0.00 0.00 58.89 61.06 1hb8 h TRP 55 Cb 0.55 -0.18 -0.04 0.00 -2.10 0.00 0.00 29.16 27.38 1hb8 h TRP 55 CO 0.05 0.44 0.50 -0.44 -2.79 0.00 0.00 178.44 176.19 1hb8 h ASP 56 N 0.54 1.12 -0.70 2.65 3.32 -1.11 0.39 116.42 122.63 1hb8 h ASP 56 Ca 0.15 -0.09 -0.06 0.00 0.02 0.00 0.00 57.03 57.04 1hb8 h ASP 56 Cb 0.05 -0.28 -0.03 0.00 0.22 0.00 0.00 39.33 39.29 1hb8 h ASP 56 CO -0.02 0.89 0.20 0.00 -1.72 0.00 0.00 179.24 178.58 1hb8 h ALA 57 N 1.29 0.91 -0.28 3.45 0.00 -1.10 -1.19 119.26 122.35 1hb8 h ALA 57 Ca 0.32 -0.23 -0.10 0.00 0.00 0.00 0.00 54.91 54.90 1hb8 h ALA 57 Cb 0.02 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 1hb8 h ALA 57 CO -0.05 0.61 -0.21 2.35 0.00 0.00 0.00 179.25 181.95 1hb8 h TRP 58 N 1.03 0.74 -0.91 0.00 7.01 -1.05 -3.01 115.95 119.77 1hb8 h TRP 58 Ca 0.22 -0.21 0.11 0.00 2.11 0.00 0.00 58.89 61.13 1hb8 h TRP 58 Cb 0.33 -0.16 -0.07 0.00 -2.10 0.00 0.00 29.16 27.16 1hb8 h TRP 58 CO 0.03 0.91 0.58 -0.97 -2.79 0.00 0.00 178.44 176.20 1hb8 h ASN 59 N 0.36 0.78 0.30 2.65 -1.24 -0.60 -0.62 115.58 117.22 1hb8 h ASN 59 Ca 0.05 0.03 -0.00 0.00 0.71 0.00 0.00 56.30 57.09 1hb8 h ASN 59 Cb 0.76 -0.13 -0.00 0.00 0.73 0.00 0.00 38.32 39.68 1hb8 h ASN 59 CO 0.06 0.44 -0.01 -0.33 -1.29 0.00 0.00 177.43 176.30 1hb8 h GLU 60 N 0.85 0.00 -0.09 6.67 4.39 -1.08 -2.20 114.58 123.12 1hb8 h GLU 60 Ca 0.43 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.13 1hb8 h GLU 60 Cb 0.50 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.15 1hb8 h GLU 60 CO -0.20 0.01 0.00 1.28 -1.16 0.00 0.00 179.01 178.94 1hb8 n LEU 61 N -3.15 1.76 -4.60 1.33 4.77 -0.24 -4.95 117.00 111.92 1hb8 n LEU 61 Ca -0.02 -0.66 -0.50 0.00 -0.03 0.00 0.00 56.01 54.80 1hb8 n LEU 61 Cb 0.14 -0.05 -0.05 0.00 -2.33 0.00 0.00 43.42 41.13 1hb8 n LEU 61 CO 0.23 0.33 0.91 1.17 -1.33 0.00 0.00 177.39 178.69 1hb8 n LYS 62 N 0.38 1.32 0.00 3.23 4.81 -0.83 -0.83 118.16 126.24 1hb8 n LYS 62 Ca 0.18 0.47 0.00 0.00 -0.87 0.00 0.00 58.31 58.09 1hb8 n LYS 62 Cb 0.37 -2.10 0.00 0.00 0.02 0.00 0.00 35.03 33.32 1hb8 n LYS 62 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1hb8 n GLY 63 N 2.51 1.31 3.73 3.14 0.00 -1.26 -5.06 105.19 109.56 1hb8 n GLY 63 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 1hb8 n GLY 63 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1hb8 s THR 64 N -2.35 4.16 0.58 2.61 2.01 -0.01 -5.02 115.64 117.63 1hb8 s THR 64 Ca 0.00 1.70 -0.17 0.00 0.31 0.00 0.00 61.69 63.53 1hb8 s THR 64 Cb 0.00 -4.09 -0.04 0.00 0.01 0.00 0.00 72.50 68.38 1hb8 s THR 64 CO 0.00 0.22 1.09 -0.94 -0.69 0.00 0.00 174.62 174.30 1hb8 s SER 65 N 0.41 5.68 0.34 3.53 1.04 -1.26 -4.83 113.70 118.61 1hb8 s SER 65 Ca 0.52 1.98 0.01 0.00 0.48 0.00 0.00 55.95 58.94 1hb8 s SER 65 Cb -0.27 -2.56 0.59 0.00 0.10 0.00 0.00 66.02 63.88 1hb8 s SER 65 CO 0.31 -1.24 1.99 0.11 0.98 0.00 0.00 173.24 175.39 1hb8 h LYS 66 N 0.72 0.86 -0.40 4.02 1.57 -1.92 0.96 116.57 122.39 1hb8 h LYS 66 Ca -0.48 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 58.22 1hb8 h LYS 66 Cb 1.24 -0.19 -0.02 0.00 0.08 0.00 0.00 32.23 33.34 1hb8 h LYS 66 CO 0.57 0.59 0.20 0.93 -0.57 0.00 0.00 179.45 181.17 1hb8 h GLU 67 N 0.89 0.58 -0.34 3.15 4.39 -1.94 0.53 114.58 121.84 1hb8 h GLU 67 Ca 0.23 -0.08 -0.14 0.00 0.34 0.00 0.00 59.36 59.71 1hb8 h GLU 67 Cb -0.06 -0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 28.47 1hb8 h GLU 67 CO -0.05 0.50 -0.35 -0.44 -1.16 0.00 0.00 179.01 177.51 1hb8 h ASP 68 N 0.51 0.83 -0.54 1.42 3.32 -1.78 -1.97 116.42 118.20 1hb8 h ASP 68 Ca 0.14 -0.36 -0.02 0.00 0.02 0.00 0.00 57.03 56.81 1hb8 h ASP 68 Cb 0.11 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.41 1hb8 h ASP 68 CO -0.02 1.10 0.26 0.00 -1.72 0.00 0.00 179.24 178.86 1hb8 h ALA 69 N 0.95 0.70 -0.36 3.45 0.00 -0.53 -1.43 119.26 122.04 1hb8 h ALA 69 Ca 0.06 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 1hb8 h ALA 69 Cb 0.90 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 1hb8 h ALA 69 CO 0.08 0.26 0.17 0.52 0.00 0.00 0.00 179.25 180.29 1hb8 h MET 70 N 0.73 0.51 -0.71 0.00 2.86 -0.77 -0.89 114.93 116.67 1hb8 h MET 70 Ca 0.19 -0.07 -0.01 0.00 -2.06 0.00 0.00 59.70 57.74 1hb8 h MET 70 Cb 0.11 -0.09 -0.03 0.00 0.06 0.00 0.00 31.60 31.65 1hb8 h MET 70 CO -0.02 0.46 0.41 0.87 1.06 0.00 0.00 176.91 179.68 1hb8 h LYS 71 N 0.44 0.98 -0.55 1.72 1.57 -1.15 -0.19 116.57 119.40 1hb8 h LYS 71 Ca 0.12 -0.10 -0.11 0.00 -1.87 0.00 0.00 60.65 58.69 1hb8 h LYS 71 Cb 0.11 -0.20 -0.02 0.00 0.08 0.00 0.00 32.23 32.21 1hb8 h LYS 71 CO -0.02 0.72 -0.09 0.00 -0.57 0.00 0.00 179.45 179.49 1hb8 h ALA 72 N 1.21 0.80 -0.02 3.86 0.00 -1.12 -1.00 119.26 122.98 1hb8 h ALA 72 Ca 0.25 -0.34 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 1hb8 h ALA 72 Cb 0.01 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.60 1hb8 h ALA 72 CO -0.04 0.67 0.01 -0.92 0.00 0.00 0.00 179.25 178.97 1hb8 h TYR 73 N 0.91 0.03 -0.52 0.00 3.20 -0.74 -0.58 116.97 119.28 1hb8 h TYR 73 Ca 0.15 -0.00 0.01 0.00 3.14 0.00 0.00 58.73 62.02 1hb8 h TYR 73 Cb 0.65 -0.01 -0.03 0.00 1.54 0.00 0.00 36.73 38.89 1hb8 h TYR 73 CO 0.04 0.14 0.35 0.82 -1.64 0.00 0.00 178.16 177.86 1hb8 h ILE 74 N -0.08 1.13 -0.70 1.81 2.04 -0.96 -0.15 117.51 120.61 1hb8 h ILE 74 Ca 0.01 -0.24 -0.04 0.00 1.00 0.00 0.00 64.86 65.58 1hb8 h ILE 74 Cb 0.12 0.37 -0.03 0.00 -0.74 0.00 0.00 36.82 36.53 1hb8 h ILE 74 CO -0.00 0.13 0.26 0.44 0.00 0.00 0.00 178.15 178.98 1hb8 h ASP 75 N 0.70 0.96 -0.40 1.72 3.32 -1.05 -1.38 116.42 120.30 1hb8 h ASP 75 Ca 0.19 -0.15 -0.11 0.00 0.02 0.00 0.00 57.03 56.99 1hb8 h ASP 75 Cb -0.08 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.21 1hb8 h ASP 75 CO -0.04 0.87 -0.16 0.50 -1.72 0.00 0.00 179.24 178.68 1hb8 h LYS 76 N 1.01 0.81 -0.94 3.56 1.63 -0.60 -1.60 116.57 120.45 1hb8 h LYS 76 Ca 0.23 -0.34 -0.01 0.00 -0.85 0.00 0.00 60.65 59.68 1hb8 h LYS 76 Cb 0.22 -0.03 -0.05 0.00 -0.60 0.00 0.00 32.23 31.78 1hb8 h LYS 76 CO -0.02 0.97 0.55 0.28 -3.45 0.00 0.00 179.45 177.79 1hb8 h VAL 77 N 0.62 1.26 -0.80 2.00 2.07 -0.73 0.11 116.25 120.78 1hb8 h VAL 77 Ca 0.09 -0.58 -0.03 0.00 0.82 0.00 0.00 66.70 67.00 1hb8 h VAL 77 Cb 0.71 -0.05 -0.04 0.00 -1.52 0.00 0.00 31.29 30.39 1hb8 h VAL 77 CO 0.05 0.28 0.39 -0.33 0.02 0.00 0.00 177.57 177.98 1hb8 h GLU 78 N 1.30 1.15 -0.50 1.57 4.39 -1.05 0.13 114.58 121.57 1hb8 h GLU 78 Ca 0.33 -0.17 -0.03 0.00 0.34 0.00 0.00 59.36 59.84 1hb8 h GLU 78 Cb -0.04 -0.21 -0.02 0.00 -0.10 0.00 0.00 28.75 28.38 1hb8 h GLU 78 CO -0.06 0.89 0.20 1.49 -1.16 0.00 0.00 179.01 180.37 1hb8 h GLU 79 N 1.14 0.75 -0.17 2.33 4.81 -0.28 -2.71 114.58 120.44 1hb8 h GLU 79 Ca 0.28 -0.14 -0.15 0.00 -0.13 0.00 0.00 59.36 59.22 1hb8 h GLU 79 Cb 0.12 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.37 1hb8 h GLU 79 CO -0.03 0.67 -0.51 -0.07 -0.73 0.00 0.00 179.01 178.33 1hb8 h LEU 80 N 0.66 0.52 -0.60 1.64 3.38 -0.35 -1.93 115.31 118.63 1hb8 h LEU 80 Ca 0.17 -0.26 0.02 0.00 0.09 0.00 0.00 57.88 57.90 1hb8 h LEU 80 Cb 0.20 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 40.77 1hb8 h LEU 80 CO -0.01 0.94 0.37 0.11 0.09 0.00 0.00 178.44 179.93 1hb8 h LYS 81 N 0.37 0.71 -0.18 1.13 1.57 -0.59 0.99 116.57 120.57 1hb8 h LYS 81 Ca 0.01 -0.04 -0.18 0.00 -1.87 0.00 0.00 60.65 58.57 1hb8 h LYS 81 Cb 1.02 -0.16 -0.00 0.00 0.08 0.00 0.00 32.23 33.17 1hb8 h LYS 81 CO 0.09 0.47 -0.62 0.87 -0.57 0.00 0.00 179.45 179.70 1hb8 h LYS 82 N 0.73 0.62 -0.21 3.15 1.57 -1.41 0.45 116.57 121.47 1hb8 h LYS 82 Ca 0.24 -0.43 -0.09 0.00 -1.87 0.00 0.00 60.65 58.49 1hb8 h LYS 82 Cb 0.00 0.06 -0.00 0.00 0.08 0.00 0.00 32.23 32.37 1hb8 h LYS 82 CO -0.09 1.05 -0.23 -0.22 -0.57 0.00 0.00 179.45 179.39 1hb8 h LYS 83 N 0.46 0.53 0.00 3.15 3.64 -0.97 -3.37 116.57 120.01 1hb8 h LYS 83 Ca -0.01 -0.29 0.00 0.00 -1.27 0.00 0.00 60.65 59.09 1hb8 h LYS 83 Cb 1.19 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 33.02 1hb8 h LYS 83 CO 0.12 0.87 -1.34 0.66 -2.27 0.00 0.00 179.45 177.49 1hb8 n TYR 84 N -4.40 0.00 -0.20 1.91 4.01 0.31 -5.09 117.16 113.71 1hb8 n TYR 84 Ca -0.05 0.00 0.02 0.00 -0.16 0.00 0.00 57.90 57.71 1hb8 n TYR 84 Cb 0.42 -0.21 -0.01 0.00 -0.31 0.00 0.00 39.34 39.24 1hb8 n TYR 84 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1hb8 n GLY 85 N 1.81 -2.43 0.00 2.72 0.00 0.16 -4.13 105.19 103.31 1hb8 n GLY 85 Ca -0.01 -1.42 0.00 0.00 0.00 0.00 0.00 46.02 44.59 1hb8 n GLY 85 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61