#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2em6 s SER 2 N 0.00 1.64 -0.20 1.61 0.01 -1.26 -5.12 113.70 110.38 2em6 s SER 2 Ca 0.00 -0.16 0.01 0.00 1.31 0.00 0.00 55.95 57.11 2em6 s SER 2 Cb 0.00 -0.56 0.02 0.00 0.21 0.00 0.00 66.02 65.70 2em6 s SER 2 CO 0.00 -0.14 -0.17 -0.55 0.41 0.00 0.00 173.24 172.79 2em6 s SER 3 N 1.68 3.44 0.00 2.44 0.15 -1.26 -5.05 113.70 115.11 2em6 s SER 3 Ca 0.02 -0.75 0.00 0.00 0.70 0.00 0.00 55.95 55.91 2em6 s SER 3 Cb -0.13 -1.51 0.00 0.00 -1.71 0.00 0.00 66.02 62.67 2em6 s SER 3 CO -0.05 -0.03 0.00 0.61 1.20 0.00 0.00 173.24 174.97 2em6 n GLY 4 N 4.61 -1.91 1.20 9.45 0.00 -1.26 -4.88 105.19 112.39 2em6 n GLY 4 Ca -0.20 -1.48 0.00 0.00 0.00 0.00 0.00 46.02 44.35 2em6 n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2em6 n SER 5 N 0.62 0.32 0.08 1.61 3.41 -1.26 -5.02 113.62 113.38 2em6 n SER 5 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 2em6 n SER 5 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 2em6 n SER 5 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 2em6 n SER 6 N -2.73 0.33 -4.06 4.04 2.88 -1.26 -5.04 113.62 107.79 2em6 n SER 6 Ca 0.00 0.27 -0.32 0.00 -1.33 0.00 0.00 58.87 57.49 2em6 n SER 6 Cb 0.31 0.06 -0.01 0.00 -0.75 0.00 0.00 64.21 63.82 2em6 n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2em6 n GLY 7 N 2.38 -0.40 3.32 0.46 0.00 -1.26 -4.82 105.19 104.87 2em6 n GLY 7 Ca 0.00 0.15 -0.43 0.00 0.00 0.00 0.00 46.02 45.75 2em6 n GLY 7 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 2em6 n MET 8 N -4.47 0.04 -3.51 1.61 -0.00 -1.26 -3.19 117.12 106.34 2em6 n MET 8 Ca -0.04 0.01 -0.33 0.00 -0.00 0.00 0.00 57.70 57.35 2em6 n MET 8 Cb 0.55 -1.03 0.03 0.00 -0.00 0.00 0.00 33.22 32.77 2em6 n MET 8 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 2em6 n GLY 9 N 2.25 -0.31 0.39 3.17 0.00 -1.26 -4.72 105.19 104.72 2em6 n GLY 9 Ca 0.12 1.04 0.18 0.00 0.00 0.00 0.00 46.02 47.36 2em6 n GLY 9 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2em6 h GLU 10 N 1.52 0.00 -6.08 1.61 4.39 -1.87 -3.35 114.58 110.80 2em6 h GLU 10 Ca -0.53 0.00 -0.50 0.00 0.34 0.00 0.00 59.36 58.67 2em6 h GLU 10 Cb 1.37 0.00 -0.07 0.00 -0.10 0.00 0.00 28.75 29.95 2em6 h GLU 10 CO 0.26 0.00 1.19 0.15 -1.16 0.00 0.00 179.01 179.45 2em6 s LYS 11 N -4.38 3.09 -1.39 2.33 3.01 -1.26 -4.88 119.74 116.26 2em6 s LYS 11 Ca -0.03 -0.38 -0.09 0.00 -1.01 0.00 0.00 55.97 54.46 2em6 s LYS 11 Cb 0.12 -4.78 -0.08 0.00 -1.01 0.00 0.00 37.83 32.09 2em6 s LYS 11 CO 0.41 -2.52 2.67 0.00 0.51 0.00 0.00 175.35 176.42 2em6 s TYR 13 N 2.61 1.23 0.19 0.00 1.51 -1.24 -4.90 117.35 116.75 2em6 s TYR 13 Ca 0.59 0.37 0.10 0.00 -1.01 0.00 0.00 57.07 57.12 2em6 s TYR 13 Cb 0.15 -3.99 -0.04 0.00 -0.11 0.00 0.00 41.96 37.97 2em6 s TYR 13 CO -0.05 -4.26 -0.13 0.21 -1.11 0.00 0.00 175.55 170.20 2em6 s LYS 14 N 5.96 1.91 -1.01 -0.62 2.20 -1.26 -0.91 119.74 126.01 2em6 s LYS 14 Ca 0.97 -1.37 -0.03 0.00 -0.36 0.00 0.00 55.97 55.18 2em6 s LYS 14 Cb -0.34 -2.06 0.30 0.00 -1.51 0.00 0.00 37.83 34.22 2em6 s LYS 14 CO 0.36 0.42 1.34 0.00 -0.36 0.00 0.00 175.35 177.10 2em6 n ASP 16 N 1.36 0.10 -0.12 0.00 -0.08 -1.26 -0.12 116.55 116.42 2em6 n ASP 16 Ca 0.26 0.91 -0.13 0.00 -1.51 0.00 0.00 54.79 54.32 2em6 n ASP 16 Cb 0.35 -0.45 -0.09 0.00 2.34 0.00 0.00 41.12 43.27 2em6 n ASP 16 CO 0.00 0.00 0.00 0.58 0.12 0.00 0.00 177.20 177.90 2em6 h VAL 17 N 0.00 0.00 0.00 5.18 2.07 -1.97 -3.36 116.25 118.17 2em6 h VAL 17 Ca 0.65 0.00 -0.26 0.00 0.82 0.00 0.00 66.70 67.91 2em6 h VAL 17 Cb 2.29 0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 32.02 2em6 h VAL 17 CO -0.22 0.00 -1.92 0.00 0.02 0.00 0.00 177.57 175.45 2em6 n GLY 19 N 2.24 0.70 3.94 0.00 0.00 0.80 -5.06 105.19 107.81 2em6 n GLY 19 Ca -0.31 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.47 2em6 n GLY 19 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2em6 s LYS 20 N 0.00 3.50 -0.05 1.61 2.47 -1.24 -4.83 119.74 121.20 2em6 s LYS 20 Ca 0.00 -0.30 -0.01 0.00 -1.56 0.00 0.00 55.97 54.10 2em6 s LYS 20 Cb 0.00 -2.66 0.03 0.00 -1.46 0.00 0.00 37.83 33.73 2em6 s LYS 20 CO 0.00 0.16 0.00 -1.21 0.16 0.00 0.00 175.35 174.46 2em6 s GLU 21 N -4.23 0.45 0.45 4.03 2.02 -1.26 0.08 118.70 120.23 2em6 s GLU 21 Ca 0.40 0.11 0.05 0.00 0.02 0.00 0.00 54.97 55.55 2em6 s GLU 21 Cb -0.10 -0.75 -0.06 0.00 0.10 0.00 0.00 34.13 33.33 2em6 s GLU 21 CO 0.35 -0.23 0.01 -0.06 0.02 0.00 0.00 175.26 175.35 2em6 s PHE 22 N 1.60 2.28 -0.23 1.61 0.40 -0.09 -5.02 117.98 118.53 2em6 s PHE 22 Ca -0.01 -0.77 -0.02 0.00 -0.60 0.00 0.00 56.93 55.53 2em6 s PHE 22 Cb -0.13 -1.72 -0.14 0.00 0.51 0.00 0.00 43.02 41.54 2em6 s PHE 22 CO -0.03 0.37 -0.23 0.43 0.70 0.00 0.00 175.22 176.45 2em6 n SER 23 N -1.08 2.10 -4.77 1.36 7.64 -1.26 -3.71 113.62 113.89 2em6 n SER 23 Ca -0.10 -0.03 -0.36 0.00 1.01 0.00 0.00 58.87 59.40 2em6 n SER 23 Cb 0.67 -0.45 -0.08 0.00 -1.01 0.00 0.00 64.21 63.35 2em6 n SER 23 CO 0.00 0.00 0.00 -1.58 -3.01 0.00 0.00 175.04 170.45 2em6 s GLN 24 N -2.46 3.77 0.40 1.43 -0.44 -1.26 -4.66 119.66 116.44 2em6 s GLN 24 Ca -0.32 -0.22 0.22 0.00 -2.50 0.00 0.00 55.36 52.55 2em6 s GLN 24 Cb 0.09 -3.25 1.24 0.00 -1.64 0.00 0.00 33.01 29.45 2em6 s GLN 24 CO 0.51 0.52 1.68 0.77 0.50 0.00 0.00 175.29 179.27 2em6 h SER 25 N 5.89 0.38 -0.15 6.67 0.02 -1.92 0.30 113.55 124.73 2em6 h SER 25 Ca -0.47 0.13 -0.03 0.00 -0.84 0.00 0.00 61.79 60.59 2em6 h SER 25 Cb 1.19 0.09 -0.01 0.00 0.14 0.00 0.00 62.40 63.81 2em6 h SER 25 CO 0.66 -0.08 -0.00 0.77 -1.14 0.00 0.00 176.83 177.04 2em6 h SER 26 N 0.25 0.27 -1.19 3.07 4.64 -1.99 -2.54 113.55 116.06 2em6 h SER 26 Ca 0.72 -0.31 0.39 0.00 -0.47 0.00 0.00 61.79 62.12 2em6 h SER 26 Cb 1.99 -0.07 -0.13 0.00 -0.31 0.00 0.00 62.40 63.87 2em6 h SER 26 CO -0.42 0.52 0.74 0.45 -0.87 0.00 0.00 176.83 177.25 2em6 h HIS 27 N 0.01 0.65 0.07 4.77 3.86 -0.80 -0.13 115.15 123.59 2em6 h HIS 27 Ca 0.04 0.03 -0.00 0.00 -1.16 0.00 0.00 60.37 59.28 2em6 h HIS 27 Cb 0.38 -0.17 0.00 0.00 1.06 0.00 0.00 27.41 28.69 2em6 h HIS 27 CO 0.04 -0.20 -0.03 1.25 0.86 0.00 0.00 177.93 179.84 2em6 h LEU 28 N 0.16 -0.08 -1.57 2.43 5.85 -1.43 -3.07 115.31 117.60 2em6 h LEU 28 Ca 0.78 0.00 0.50 0.00 0.84 0.00 0.00 57.88 60.00 2em6 h LEU 28 Cb 2.23 0.02 -0.12 0.00 0.37 0.00 0.00 40.66 43.16 2em6 h LEU 28 CO -0.48 0.32 1.03 1.56 -0.34 0.00 0.00 178.44 180.54 2em6 h GLN 29 N -0.86 0.01 0.12 1.25 1.08 -0.88 0.48 115.11 116.32 2em6 h GLN 29 Ca -0.01 -0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.18 2em6 h GLN 29 Cb 0.07 -0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.50 2em6 h GLN 29 CO 0.02 0.01 -0.06 1.15 -0.95 0.00 0.00 178.83 179.00 2em6 h THR 30 N 0.02 1.05 -0.29 -0.54 2.02 -1.15 -3.17 112.91 110.85 2em6 h THR 30 Ca 0.89 -1.08 0.08 0.00 0.77 0.00 0.00 66.41 67.06 2em6 h THR 30 Cb 3.06 1.69 -0.01 0.00 -1.74 0.00 0.00 68.15 71.15 2em6 h THR 30 CO -0.33 0.24 0.20 -0.74 0.37 0.00 0.00 175.52 175.27 2em6 h HIS 31 N -0.71 0.04 -0.04 3.16 -0.00 -0.02 -0.13 115.15 117.45 2em6 h HIS 31 Ca -0.02 0.00 0.01 0.00 -0.00 0.00 0.00 60.37 60.37 2em6 h HIS 31 Cb 0.53 -0.01 -0.00 0.00 -0.00 0.00 0.00 27.41 27.92 2em6 h HIS 31 CO 0.09 0.02 0.20 1.96 -0.00 0.00 0.00 177.93 180.20 2em6 h GLN 32 N 0.04 0.00 -0.36 5.26 4.20 -1.06 -0.74 115.11 122.44 2em6 h GLN 32 Ca 0.14 0.00 0.11 0.00 0.06 0.00 0.00 58.65 58.95 2em6 h GLN 32 Cb 0.49 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.26 2em6 h GLN 32 CO -0.01 0.00 0.31 0.00 -0.67 0.00 0.00 178.83 178.46 2em6 h ARG 33 N 0.00 0.00 0.00 1.46 2.47 -1.13 0.73 114.38 117.90 2em6 h ARG 33 Ca 0.02 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.74 2em6 h ARG 33 Cb 0.43 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.75 2em6 h ARG 33 CO -0.00 0.00 0.00 -0.39 0.56 0.00 0.00 179.97 180.14 2em6 h VAL 34 N 0.00 0.00 0.00 2.04 -1.51 -1.34 0.65 116.25 116.09 2em6 h VAL 34 Ca 0.17 -0.47 -0.02 0.00 -1.23 0.00 0.00 66.70 65.15 2em6 h VAL 34 Cb 0.79 1.38 -0.00 0.00 -2.13 0.00 0.00 31.29 31.32 2em6 h VAL 34 CO -0.00 0.00 -1.39 1.41 -1.23 0.00 0.00 177.57 176.36 2em6 n HIS 35 N -2.70 0.00 -0.13 5.19 8.25 0.14 -4.70 115.22 121.26 2em6 n HIS 35 Ca 0.02 0.00 -0.18 0.00 -0.26 0.00 0.00 57.72 57.30 2em6 n HIS 35 Cb 0.32 -0.21 -0.12 0.00 1.12 0.00 0.00 29.99 31.10 2em6 n HIS 35 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 2em6 n THR 36 N -1.86 1.50 -1.04 1.59 -2.24 0.21 -4.56 114.28 107.87 2em6 n THR 36 Ca -0.03 -0.57 -0.32 0.00 -2.27 0.00 0.00 64.05 60.86 2em6 n THR 36 Cb 0.30 -1.44 -0.10 0.00 -2.10 0.00 0.00 70.33 66.99 2em6 n THR 36 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2em6 n GLY 37 N 2.23 -0.31 3.80 3.38 0.00 0.23 -0.02 105.19 114.50 2em6 n GLY 37 Ca -0.46 0.82 -0.24 0.00 0.00 0.00 0.00 46.02 46.15 2em6 n GLY 37 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2em6 n GLU 38 N 5.93 -0.93 -2.99 1.61 0.28 -1.26 -4.82 120.64 118.47 2em6 n GLU 38 Ca 0.46 0.07 -0.18 0.00 -0.16 0.00 0.00 57.16 57.34 2em6 n GLU 38 Cb 0.01 -2.73 -0.02 0.00 1.43 0.00 0.00 31.44 30.14 2em6 n GLU 38 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 177.13 178.14 2em6 n LYS 39 N -3.52 1.60 -0.85 3.44 3.00 0.97 -5.11 118.16 117.68 2em6 n LYS 39 Ca -0.19 -3.71 -0.25 0.00 -0.00 0.00 0.00 58.31 54.17 2em6 n LYS 39 Cb 0.48 -1.75 0.21 0.00 0.00 0.00 0.00 35.03 33.97 2em6 n LYS 39 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.40 177.05 2em6 n PRO 40 N 0.06 -2.78 -3.89 1.64 -0.04 -1.26 -4.71 135.00 124.02 2em6 n PRO 40 Ca 0.24 -1.44 -0.30 0.00 -0.04 0.00 0.00 63.50 61.96 2em6 n PRO 40 Cb 0.64 -1.35 -0.15 0.00 -0.04 0.00 0.00 33.50 32.61 2em6 n PRO 40 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 2em6 s SER 41 N -3.92 4.36 0.00 3.54 1.04 -1.26 -5.09 113.70 112.36 2em6 s SER 41 Ca 0.58 -2.15 0.00 0.00 0.48 0.00 0.00 55.95 54.87 2em6 s SER 41 Cb -0.06 -1.32 0.00 0.00 0.10 0.00 0.00 66.02 64.74 2em6 s SER 41 CO 0.45 -0.36 0.00 0.61 0.98 0.00 0.00 173.24 174.92 2em6 n GLY 42 N 4.23 5.41 3.59 7.32 0.00 -1.26 -5.08 105.19 119.39 2em6 n GLY 42 Ca 0.03 -1.88 -0.42 0.00 0.00 0.00 0.00 46.02 43.75 2em6 n GLY 42 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2em6 s PRO 43 N -0.54 3.20 -0.61 1.61 0.04 -1.26 -4.94 135.00 132.50 2em6 s PRO 43 Ca 0.00 1.13 -0.28 0.00 0.04 0.00 0.00 61.00 61.89 2em6 s PRO 43 Cb 0.00 -4.21 0.02 0.00 0.04 0.00 0.00 34.50 30.34 2em6 s PRO 43 CO 0.00 -2.02 1.41 -1.12 0.04 0.00 0.00 177.00 175.31 2em6 s SER 44 N 6.18 6.07 0.05 6.66 0.01 -1.26 -4.93 113.70 126.48 2em6 s SER 44 Ca 0.73 0.10 -0.27 0.00 1.31 0.00 0.00 55.95 57.83 2em6 s SER 44 Cb -0.18 -2.55 0.09 0.00 0.21 0.00 0.00 66.02 63.59 2em6 s SER 44 CO 0.30 -1.79 0.81 -0.94 0.41 0.00 0.00 173.24 172.04 2em6 s SER 45 N 4.53 -0.41 0.00 2.44 1.04 -1.26 -5.34 113.70 114.70 2em6 s SER 45 Ca 0.49 -0.03 0.00 0.00 0.48 0.00 0.00 55.95 56.89 2em6 s SER 45 Cb -0.10 0.45 0.00 0.00 0.10 0.00 0.00 66.02 66.47 2em6 s SER 45 CO 0.22 -0.74 0.00 0.61 0.98 0.00 0.00 173.24 174.31