#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2em6 n SER 2 N 0.00 -1.37 -2.18 1.61 3.41 -1.26 -4.78 113.62 109.05 2em6 n SER 2 Ca 0.00 -1.23 -0.25 0.00 -0.26 0.00 0.00 58.87 57.12 2em6 n SER 2 Cb 0.00 -1.72 0.04 0.00 -0.26 0.00 0.00 64.21 62.27 2em6 n SER 2 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 2em6 n SER 3 N -2.57 6.93 0.00 4.04 2.88 -1.26 -4.32 113.62 119.32 2em6 n SER 3 Ca 0.02 -3.36 0.00 0.00 -1.33 0.00 0.00 58.87 54.20 2em6 n SER 3 Cb 0.51 -1.06 0.00 0.00 -0.75 0.00 0.00 64.21 62.91 2em6 n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2em6 n GLY 4 N -0.02 -0.55 3.03 0.46 0.00 -1.26 -5.16 105.19 101.68 2em6 n GLY 4 Ca 0.44 0.17 -0.13 0.00 0.00 0.00 0.00 46.02 46.50 2em6 n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2em6 s SER 5 N 0.00 -0.06 -0.33 1.61 0.15 -1.26 -5.13 113.70 108.68 2em6 s SER 5 Ca 0.00 0.52 -0.11 0.00 0.70 0.00 0.00 55.95 57.07 2em6 s SER 5 Cb 0.00 0.47 -0.01 0.00 -1.71 0.00 0.00 66.02 64.77 2em6 s SER 5 CO 0.00 -0.19 0.19 -0.44 1.20 0.00 0.00 173.24 174.00 2em6 s SER 6 N 1.59 5.74 -0.62 5.45 0.01 -1.26 -5.01 113.70 119.60 2em6 s SER 6 Ca -0.06 -0.54 0.06 0.00 1.31 0.00 0.00 55.95 56.72 2em6 s SER 6 Cb -0.11 -2.05 0.28 0.00 0.21 0.00 0.00 66.02 64.35 2em6 s SER 6 CO -0.08 -0.23 0.81 0.61 0.41 0.00 0.00 173.24 174.76 2em6 n GLY 7 N 5.03 5.03 3.98 3.44 0.00 -1.26 -5.07 105.19 116.33 2em6 n GLY 7 Ca -0.13 -2.76 -0.25 0.00 0.00 0.00 0.00 46.02 42.88 2em6 n GLY 7 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2em6 s MET 8 N -2.77 1.50 0.00 1.61 1.00 -1.26 -4.78 119.30 114.60 2em6 s MET 8 Ca 0.43 -0.95 0.00 0.00 0.00 0.00 0.00 55.69 55.17 2em6 s MET 8 Cb 0.19 -2.23 0.00 0.00 0.00 0.00 0.00 34.83 32.79 2em6 s MET 8 CO -0.05 -1.63 0.00 0.41 0.00 0.00 0.00 175.02 173.75 2em6 n GLY 9 N -3.02 2.42 3.73 -0.03 0.00 -1.26 -5.07 105.19 101.98 2em6 n GLY 9 Ca 0.15 -0.73 -0.42 0.00 0.00 0.00 0.00 46.02 45.02 2em6 n GLY 9 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2em6 n GLU 10 N 0.00 2.72 -1.92 1.61 1.02 -1.26 -4.91 120.64 117.90 2em6 n GLU 10 Ca 0.00 0.97 -0.42 0.00 -0.02 0.00 0.00 57.16 57.70 2em6 n GLU 10 Cb 0.00 -2.78 -0.03 0.00 -0.02 0.00 0.00 31.44 28.61 2em6 n GLU 10 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 2em6 s LYS 11 N 0.10 4.21 -0.70 3.49 1.02 -1.26 -4.96 119.74 121.64 2em6 s LYS 11 Ca 0.68 2.39 0.05 0.00 0.02 0.00 0.00 55.97 59.11 2em6 s LYS 11 Cb -0.50 -3.12 0.26 0.00 -0.52 0.00 0.00 37.83 33.95 2em6 s LYS 11 CO 0.43 -0.57 0.84 0.00 -0.92 0.00 0.00 175.35 175.13 2em6 n TYR 13 N 0.93 1.96 -4.26 0.00 4.02 -1.15 -4.76 117.16 113.91 2em6 n TYR 13 Ca 0.29 0.59 -0.19 0.00 -0.01 0.00 0.00 57.90 58.58 2em6 n TYR 13 Cb 0.40 -2.43 -0.13 0.00 -0.02 0.00 0.00 39.34 37.16 2em6 n TYR 13 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 176.86 176.06 2em6 s LYS 14 N 3.11 0.88 -0.15 -0.72 2.20 -1.26 -0.35 119.74 123.45 2em6 s LYS 14 Ca 0.97 -0.87 -0.12 0.00 -0.36 0.00 0.00 55.97 55.59 2em6 s LYS 14 Cb -1.08 -0.90 -0.05 0.00 -1.51 0.00 0.00 37.83 34.29 2em6 s LYS 14 CO 0.64 0.21 0.24 0.00 -0.36 0.00 0.00 175.35 176.08 2em6 n ASP 16 N 3.22 0.83 0.04 0.00 -0.08 -1.26 -1.84 116.55 117.47 2em6 n ASP 16 Ca -0.14 0.36 -0.11 0.00 -1.51 0.00 0.00 54.79 53.39 2em6 n ASP 16 Cb 0.52 0.20 -0.04 0.00 2.34 0.00 0.00 41.12 44.14 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 0.37 0.00 5.18 2.07 -1.98 -3.37 116.25 118.51 2em6 h VAL 17 Ca -0.17 0.00 -0.17 0.00 0.82 0.00 0.00 66.70 67.18 2em6 h VAL 17 Cb 1.60 0.37 -0.03 0.00 -1.52 0.00 0.00 31.29 31.71 2em6 h VAL 17 CO 0.05 0.00 -1.60 0.00 0.02 0.00 0.00 177.57 176.03 2em6 n GLY 19 N 2.66 0.94 3.93 0.00 0.00 -0.77 -5.09 105.19 106.85 2em6 n GLY 19 Ca -0.20 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.57 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 3.51 -0.05 1.61 2.47 -1.14 -4.85 119.74 121.29 2em6 s LYS 20 Ca 0.00 -0.16 0.01 0.00 -1.56 0.00 0.00 55.97 54.26 2em6 s LYS 20 Cb 0.00 -2.58 0.02 0.00 -1.46 0.00 0.00 37.83 33.81 2em6 s LYS 20 CO 0.00 0.05 -0.07 -1.21 0.16 0.00 0.00 175.35 174.29 2em6 s GLU 21 N -4.38 1.11 0.18 4.03 2.02 -1.26 -0.16 118.70 120.25 2em6 s GLU 21 Ca 0.42 -0.20 0.06 0.00 0.02 0.00 0.00 54.97 55.28 2em6 s GLU 21 Cb -0.10 -1.04 -0.05 0.00 0.10 0.00 0.00 34.13 33.04 2em6 s GLU 21 CO 0.38 -0.06 -0.13 -0.06 0.02 0.00 0.00 175.26 175.41 2em6 s PHE 22 N 0.90 1.52 -0.12 1.61 0.40 0.53 -5.01 117.98 117.80 2em6 s PHE 22 Ca -0.11 -0.65 -0.12 0.00 -0.60 0.00 0.00 56.93 55.45 2em6 s PHE 22 Cb -0.15 -0.73 -0.26 0.00 0.51 0.00 0.00 43.02 42.40 2em6 s PHE 22 CO 0.01 0.24 0.42 1.03 0.70 0.00 0.00 175.22 177.62 2em6 h SER 23 N 2.68 0.35 -1.70 1.36 0.87 -1.88 -3.04 113.55 112.20 2em6 h SER 23 Ca -0.38 -0.85 -0.44 0.00 -1.23 0.00 0.00 61.79 58.90 2em6 h SER 23 Cb 1.21 -0.11 0.00 0.00 -0.44 0.00 0.00 62.40 63.06 2em6 h SER 23 CO 0.62 1.72 -0.33 -1.10 -0.53 0.00 0.00 176.83 177.21 2em6 s GLN 24 N -2.50 2.97 -0.07 2.24 -0.21 -1.26 -4.57 119.66 116.25 2em6 s GLN 24 Ca -0.22 -1.13 -0.07 0.00 0.02 0.00 0.00 55.36 53.96 2em6 s GLN 24 Cb 0.06 -2.75 -0.04 0.00 1.00 0.00 0.00 33.01 31.28 2em6 s GLN 24 CO 0.74 -0.03 0.27 0.66 -2.12 0.00 0.00 175.29 174.81 2em6 h SER 25 N 0.87 -0.19 -1.00 5.90 4.64 -1.95 -3.31 113.55 118.52 2em6 h SER 25 Ca -0.44 -0.00 0.38 0.00 -0.47 0.00 0.00 61.79 61.26 2em6 h SER 25 Cb 1.26 0.05 -0.18 0.00 -0.31 0.00 0.00 62.40 63.23 2em6 h SER 25 CO 0.52 0.28 0.45 0.77 -0.87 0.00 0.00 176.83 177.98 2em6 h SER 26 N -1.06 0.20 -0.37 4.97 4.64 -1.99 0.61 113.55 120.56 2em6 h SER 26 Ca -0.02 0.25 0.07 0.00 -0.47 0.00 0.00 61.79 61.62 2em6 h SER 26 Cb 0.18 0.29 -0.06 0.00 -0.31 0.00 0.00 62.40 62.50 2em6 h SER 26 CO 0.04 -0.38 -0.03 0.45 -0.87 0.00 0.00 176.83 176.04 2em6 h HIS 27 N 0.05 -0.08 0.37 4.77 3.86 -1.99 -0.61 115.15 121.52 2em6 h HIS 27 Ca 0.79 0.03 -0.02 0.00 -1.16 0.00 0.00 60.37 60.01 2em6 h HIS 27 Cb 1.98 0.09 0.00 0.00 1.06 0.00 0.00 27.41 30.55 2em6 h HIS 27 CO -0.10 -0.10 -0.18 1.25 0.86 0.00 0.00 177.93 179.67 2em6 h LEU 28 N 0.06 -0.42 -0.80 2.43 5.85 0.13 -1.81 115.31 120.75 2em6 h LEU 28 Ca 0.18 -0.04 0.18 0.00 0.84 0.00 0.00 57.88 59.04 2em6 h LEU 28 Cb 0.26 0.11 -0.12 0.00 0.37 0.00 0.00 40.66 41.28 2em6 h LEU 28 CO -0.33 -0.23 0.25 1.56 -0.34 0.00 0.00 178.44 179.36 2em6 h GLN 29 N -0.59 0.31 -0.52 1.25 4.20 -1.10 0.49 115.11 119.15 2em6 h GLN 29 Ca -0.05 -0.02 -0.03 0.00 0.06 0.00 0.00 58.65 58.61 2em6 h GLN 29 Cb 0.44 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 28.12 2em6 h GLN 29 CO 0.08 0.20 0.20 1.15 -0.67 0.00 0.00 178.83 179.80 2em6 h THR 30 N 0.32 1.22 -0.13 -0.54 2.02 -0.93 -3.05 112.91 111.82 2em6 h THR 30 Ca 0.47 -0.68 0.03 0.00 0.77 0.00 0.00 66.41 66.99 2em6 h THR 30 Cb 0.84 0.70 -0.03 0.00 -1.74 0.00 0.00 68.15 67.92 2em6 h THR 30 CO -0.52 0.26 -0.04 -0.74 0.37 0.00 0.00 175.52 174.84 2em6 h HIS 31 N 0.70 -0.10 -1.31 3.16 -0.00 -0.07 -1.40 115.15 116.14 2em6 h HIS 31 Ca 0.17 0.01 0.38 0.00 -0.00 0.00 0.00 60.37 60.93 2em6 h HIS 31 Cb 0.21 0.06 -0.05 0.00 -0.00 0.00 0.00 27.41 27.63 2em6 h HIS 31 CO 0.01 -0.07 1.16 1.96 -0.00 0.00 0.00 177.93 180.99 2em6 h GLN 32 N -0.02 0.00 -1.50 5.26 1.08 -1.13 0.89 115.11 119.70 2em6 h GLN 32 Ca 0.07 0.00 0.48 0.00 -1.45 0.00 0.00 58.65 57.74 2em6 h GLN 32 Cb 0.12 0.00 -0.12 0.00 -0.05 0.00 0.00 27.48 27.43 2em6 h GLN 32 CO -0.14 0.00 1.01 0.00 -0.95 0.00 0.00 178.83 178.74 2em6 h ARG 33 N 0.00 0.04 -0.31 1.46 2.47 -1.32 1.49 114.38 118.21 2em6 h ARG 33 Ca 0.62 -0.00 -0.18 0.00 -1.26 0.00 0.00 59.98 59.16 2em6 h ARG 33 Cb 2.94 -0.01 -0.00 0.00 -1.65 0.00 0.00 29.97 31.26 2em6 h ARG 33 CO -0.01 0.03 -0.52 -0.39 0.56 0.00 0.00 179.97 179.64 2em6 h VAL 34 N 0.04 1.27 0.00 2.04 -1.51 -1.04 -3.13 116.25 113.92 2em6 h VAL 34 Ca 0.86 -1.70 -0.13 0.00 -1.23 0.00 0.00 66.70 64.50 2em6 h VAL 34 Cb 2.93 1.57 -0.02 0.00 -2.13 0.00 0.00 31.29 33.65 2em6 h VAL 34 CO -0.31 0.56 -0.60 0.45 -1.23 0.00 0.00 177.57 176.44 2em6 h HIS 35 N 0.69 0.00 -2.93 5.19 3.86 0.17 -3.45 115.15 118.68 2em6 h HIS 35 Ca 0.02 0.00 -0.63 0.00 -1.16 0.00 0.00 60.37 58.60 2em6 h HIS 35 Cb 1.12 0.00 -0.06 0.00 1.06 0.00 0.00 27.41 29.53 2em6 h HIS 35 CO 0.07 0.60 -0.52 -0.08 0.86 0.00 0.00 177.93 178.86 2em6 s THR 36 N -3.03 5.22 0.00 2.45 -1.32 0.13 -5.11 115.64 113.98 2em6 s THR 36 Ca 0.02 -0.35 0.00 0.00 -1.21 0.00 0.00 61.69 60.16 2em6 s THR 36 Cb 0.09 -3.48 0.00 0.00 -1.51 0.00 0.00 72.50 67.59 2em6 s THR 36 CO 0.75 0.24 0.00 0.61 -2.21 0.00 0.00 174.62 174.01 2em6 n GLY 37 N 0.67 -0.51 3.76 6.08 0.00 -1.26 -4.71 105.19 109.22 2em6 n GLY 37 Ca -0.09 -1.35 -0.30 0.00 0.00 0.00 0.00 46.02 44.29 2em6 n GLY 37 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2em6 s GLU 38 N 0.00 2.81 -1.44 1.61 2.12 -1.26 -4.60 118.70 117.94 2em6 s GLU 38 Ca 0.00 -0.74 -0.11 0.00 0.36 0.00 0.00 54.97 54.47 2em6 s GLU 38 Cb 0.00 -2.68 0.02 0.00 0.26 0.00 0.00 34.13 31.73 2em6 s GLU 38 CO 0.00 0.55 0.23 1.63 -0.54 0.00 0.00 175.26 177.13 2em6 n LYS 39 N 0.38 -0.79 -0.08 4.30 5.02 -1.26 -4.84 118.16 120.89 2em6 n LYS 39 Ca -0.09 0.09 -0.11 0.00 -2.02 0.00 0.00 58.31 56.18 2em6 n LYS 39 Cb 0.52 -3.27 0.02 0.00 -0.02 0.00 0.00 35.03 32.29 2em6 n LYS 39 CO 0.00 0.00 0.00 -1.00 -0.52 0.00 0.00 177.40 175.88 2em6 h PRO 40 N -2.07 0.80 0.05 1.97 0.13 -1.96 -3.31 132.00 127.61 2em6 h PRO 40 Ca -0.68 -0.42 -0.35 0.00 -0.87 0.00 0.00 66.00 63.68 2em6 h PRO 40 Cb 1.40 0.01 -0.04 0.00 0.13 0.00 0.00 31.00 32.50 2em6 h PRO 40 CO 0.65 1.05 -2.09 -1.13 -0.23 0.00 0.00 178.00 176.25 2em6 n SER 41 N -4.04 1.56 0.00 1.44 3.41 -1.26 -5.08 113.62 109.64 2em6 n SER 41 Ca -0.02 0.15 0.00 0.00 -0.26 0.00 0.00 58.87 58.74 2em6 n SER 41 Cb 0.54 -0.36 0.00 0.00 -0.26 0.00 0.00 64.21 64.13 2em6 n SER 41 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2em6 n GLY 42 N 1.93 -0.89 0.00 5.00 0.00 -1.25 -4.97 105.19 105.00 2em6 n GLY 42 Ca -0.32 -0.73 0.06 0.00 0.00 0.00 0.00 46.02 45.03 2em6 n GLY 42 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2em6 n PRO 43 N 0.00 0.49 -1.30 1.61 -0.04 -1.26 -4.38 135.00 130.11 2em6 n PRO 43 Ca 0.00 0.00 -0.21 0.00 -0.04 0.00 0.00 63.50 63.25 2em6 n PRO 43 Cb 0.00 -1.36 -0.12 0.00 -0.04 0.00 0.00 33.50 31.98 2em6 n PRO 43 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2em6 n SER 44 N -0.86 1.16 -3.61 3.54 3.41 -1.26 -4.69 113.62 111.31 2em6 n SER 44 Ca 0.08 -2.46 -0.02 0.00 -0.26 0.00 0.00 58.87 56.22 2em6 n SER 44 Cb 0.04 -1.40 -0.01 0.00 -0.26 0.00 0.00 64.21 62.57 2em6 n SER 44 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2em6 s SER 45 N 7.99 -0.11 0.00 4.04 1.04 -1.26 -4.89 113.70 120.52 2em6 s SER 45 Ca 0.77 -0.07 0.00 0.00 0.48 0.00 0.00 55.95 57.13 2em6 s SER 45 Cb 0.00 0.17 0.00 0.00 0.10 0.00 0.00 66.02 66.29 2em6 s SER 45 CO 0.22 -0.29 0.00 0.61 0.98 0.00 0.00 173.24 174.77