#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2em6 h SER 2 N 0.00 -0.57 -4.32 1.61 0.02 -2.10 -3.44 113.55 104.74 2em6 h SER 2 Ca 0.00 -0.04 -0.51 0.00 -0.84 0.00 0.00 61.79 60.40 2em6 h SER 2 Cb 0.00 0.15 0.12 0.00 0.14 0.00 0.00 62.40 62.80 2em6 h SER 2 CO 0.00 -0.31 0.34 -0.55 -1.14 0.00 0.00 176.83 175.17 2em6 s SER 3 N -4.69 4.86 -0.22 3.07 0.15 -1.26 -5.03 113.70 110.58 2em6 s SER 3 Ca -0.16 1.74 -0.06 0.00 0.70 0.00 0.00 55.95 58.18 2em6 s SER 3 Cb 0.03 -2.51 -0.02 0.00 -1.71 0.00 0.00 66.02 61.81 2em6 s SER 3 CO 0.58 -1.80 0.02 -0.83 1.20 0.00 0.00 173.24 172.41 2em6 s GLY 4 N -3.56 1.71 -0.12 9.45 0.00 -1.26 -5.08 107.32 108.46 2em6 s GLY 4 Ca 0.60 -1.07 -0.00 0.00 0.00 0.00 0.00 44.72 44.24 2em6 s GLY 4 CO 0.56 0.38 -0.08 -0.56 0.00 0.00 0.00 173.10 173.39 2em6 s SER 5 N 1.31 2.32 0.26 1.64 0.01 -1.26 -5.04 113.70 112.94 2em6 s SER 5 Ca 0.04 -0.37 -0.05 0.00 1.31 0.00 0.00 55.95 56.88 2em6 s SER 5 Cb -0.15 -0.90 -0.02 0.00 0.21 0.00 0.00 66.02 65.17 2em6 s SER 5 CO 0.01 -0.12 0.34 -0.94 0.41 0.00 0.00 173.24 172.95 2em6 s SER 6 N 1.67 0.31 -0.20 2.44 1.04 -1.26 -5.05 113.70 112.66 2em6 s SER 6 Ca 0.05 -1.26 -0.04 0.00 0.48 0.00 0.00 55.95 55.17 2em6 s SER 6 Cb -0.13 0.53 0.01 0.00 0.10 0.00 0.00 66.02 66.53 2em6 s SER 6 CO -0.09 -1.06 0.17 0.61 0.98 0.00 0.00 173.24 173.85 2em6 n GLY 7 N -0.40 -2.28 3.50 7.32 0.00 -1.26 -4.91 105.19 107.16 2em6 n GLY 7 Ca 0.01 0.40 -0.43 0.00 0.00 0.00 0.00 46.02 46.00 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 -1.40 3.60 0.57 1.61 1.00 -1.26 -4.96 119.30 118.47 2em6 s MET 8 Ca 0.07 -1.51 0.09 0.00 0.00 0.00 0.00 55.69 54.34 2em6 s MET 8 Cb -0.02 -5.11 0.08 0.00 0.00 0.00 0.00 34.83 29.78 2em6 s MET 8 CO 0.42 -1.96 0.73 0.20 0.00 0.00 0.00 175.02 174.42 2em6 s GLY 9 N 4.19 1.83 0.39 -0.03 0.00 -1.26 -5.01 107.32 107.42 2em6 s GLY 9 Ca 0.38 -2.01 0.19 0.00 0.00 0.00 0.00 44.72 43.28 2em6 s GLY 9 CO -0.09 -1.73 1.78 1.05 0.00 0.00 0.00 173.10 174.11 2em6 h GLU 10 N 0.27 0.00 -6.20 2.90 4.11 -1.98 -3.43 114.58 110.25 2em6 h GLU 10 Ca -0.31 0.00 -0.69 0.00 0.07 0.00 0.00 59.36 58.43 2em6 h GLU 10 Cb 1.29 0.00 -0.26 0.00 0.50 0.00 0.00 28.75 30.28 2em6 h GLU 10 CO 0.43 0.35 -0.80 0.21 0.07 0.00 0.00 179.01 179.27 2em6 s LYS 11 N -3.73 2.56 -0.57 1.06 2.47 -1.26 -5.08 119.74 115.19 2em6 s LYS 11 Ca -0.01 -0.76 0.04 0.00 -1.56 0.00 0.00 55.97 53.69 2em6 s LYS 11 Cb 0.12 -2.33 0.14 0.00 -1.46 0.00 0.00 37.83 34.30 2em6 s LYS 11 CO 0.68 0.53 0.33 0.00 0.16 0.00 0.00 175.35 177.05 2em6 s TYR 13 N -0.58 1.63 -0.10 0.00 2.02 -1.18 -4.93 117.35 114.20 2em6 s TYR 13 Ca 0.20 0.83 0.01 0.00 -0.37 0.00 0.00 57.07 57.74 2em6 s TYR 13 Cb -0.18 -4.06 -0.02 0.00 -0.40 0.00 0.00 41.96 37.29 2em6 s TYR 13 CO -0.06 -2.34 -0.12 0.21 -1.57 0.00 0.00 175.55 171.67 2em6 s LYS 14 N 7.06 3.05 -0.11 -0.62 2.20 -1.26 -0.21 119.74 129.85 2em6 s LYS 14 Ca 0.69 -0.67 -0.30 0.00 -0.36 0.00 0.00 55.97 55.34 2em6 s LYS 14 Cb -0.13 -2.56 -0.02 0.00 -1.51 0.00 0.00 37.83 33.60 2em6 s LYS 14 CO 0.22 0.39 1.25 0.00 -0.36 0.00 0.00 175.35 176.85 2em6 n ASP 16 N 5.95 3.61 0.00 0.00 9.92 -1.26 -3.13 116.55 131.64 2em6 n ASP 16 Ca 0.13 -2.99 -0.03 0.00 -0.53 0.00 0.00 54.79 51.36 2em6 n ASP 16 Cb 0.45 -0.72 -0.01 0.00 -0.64 0.00 0.00 41.12 40.20 2em6 n ASP 16 CO 0.00 0.00 0.00 0.52 0.13 0.00 0.00 177.20 177.85 2em6 n VAL 17 N -0.48 0.76 -0.07 2.53 0.31 -1.26 -4.86 118.33 115.26 2em6 n VAL 17 Ca 0.37 0.14 -0.12 0.00 -0.01 0.00 0.00 64.34 64.72 2em6 n VAL 17 Cb 1.19 -1.64 -0.06 0.00 -0.91 0.00 0.00 33.84 32.42 2em6 n VAL 17 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2em6 n GLY 19 N 2.58 0.76 3.99 0.00 0.00 -1.19 -4.90 105.19 106.43 2em6 n GLY 19 Ca -0.25 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.56 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 2.28 -0.15 1.61 2.20 -1.25 -4.90 119.74 119.53 2em6 s LYS 20 Ca 0.00 -1.06 -0.14 0.00 -0.36 0.00 0.00 55.97 54.41 2em6 s LYS 20 Cb 0.00 -2.49 0.04 0.00 -1.51 0.00 0.00 37.83 33.87 2em6 s LYS 20 CO 0.00 -0.91 0.41 -1.21 -0.36 0.00 0.00 175.35 173.28 2em6 s GLU 21 N -4.82 0.48 0.26 4.03 2.02 -1.26 -0.98 118.70 118.43 2em6 s GLU 21 Ca 0.60 0.57 0.02 0.00 0.02 0.00 0.00 54.97 56.19 2em6 s GLU 21 Cb -0.08 0.24 -0.04 0.00 0.10 0.00 0.00 34.13 34.35 2em6 s GLU 21 CO 0.40 -0.06 0.17 -0.06 0.02 0.00 0.00 175.26 175.73 2em6 s PHE 22 N 0.22 1.42 -0.22 1.61 0.40 0.71 -5.00 117.98 117.12 2em6 s PHE 22 Ca -0.00 -1.43 0.01 0.00 -0.60 0.00 0.00 56.93 54.91 2em6 s PHE 22 Cb -0.03 -0.68 -0.14 0.00 0.51 0.00 0.00 43.02 42.68 2em6 s PHE 22 CO 0.01 -0.65 -0.19 -1.13 0.70 0.00 0.00 175.22 173.96 2em6 n SER 23 N -0.71 2.31 -4.80 1.36 3.41 -1.26 -3.13 113.62 110.79 2em6 n SER 23 Ca 0.03 -0.10 -0.38 0.00 -0.26 0.00 0.00 58.87 58.15 2em6 n SER 23 Cb 0.65 -0.35 -0.06 0.00 -0.26 0.00 0.00 64.21 64.19 2em6 n SER 23 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 175.04 173.30 2em6 s GLN 24 N -2.43 4.10 0.24 4.33 2.00 -1.26 -4.74 119.66 121.90 2em6 s GLN 24 Ca -0.29 0.53 -0.05 0.00 -2.00 0.00 0.00 55.36 53.55 2em6 s GLN 24 Cb 0.08 -3.27 0.37 0.00 0.80 0.00 0.00 33.01 30.98 2em6 s GLN 24 CO 0.49 0.56 1.82 0.66 -0.50 0.00 0.00 175.29 178.32 2em6 h SER 25 N 5.09 0.72 -0.51 6.67 4.64 -1.98 -1.79 113.55 126.39 2em6 h SER 25 Ca -0.49 0.04 -0.11 0.00 -0.47 0.00 0.00 61.79 60.76 2em6 h SER 25 Cb 1.21 -0.11 -0.02 0.00 -0.31 0.00 0.00 62.40 63.18 2em6 h SER 25 CO 0.65 0.43 -0.11 0.28 -0.87 0.00 0.00 176.83 177.21 2em6 h SER 26 N 0.85 0.99 -0.87 4.97 0.02 -2.00 -2.89 113.55 114.61 2em6 h SER 26 Ca 0.39 -0.35 0.17 0.00 -0.84 0.00 0.00 61.79 61.15 2em6 h SER 26 Cb 0.30 -0.27 -0.10 0.00 0.14 0.00 0.00 62.40 62.47 2em6 h SER 26 CO -0.22 1.11 0.44 0.45 -1.14 0.00 0.00 176.83 177.47 2em6 h HIS 27 N 0.85 0.76 0.09 3.45 3.86 -1.73 -0.11 115.15 122.31 2em6 h HIS 27 Ca 0.13 0.04 -0.00 0.00 -1.16 0.00 0.00 60.37 59.37 2em6 h HIS 27 Cb 0.67 -0.20 0.00 0.00 1.06 0.00 0.00 27.41 28.94 2em6 h HIS 27 CO 0.05 0.13 -0.04 1.25 0.86 0.00 0.00 177.93 180.17 2em6 h LEU 28 N 0.58 -0.10 -0.74 2.43 5.85 -1.35 -2.82 115.31 119.15 2em6 h LEU 28 Ca 0.49 -0.29 0.13 0.00 0.84 0.00 0.00 57.88 59.05 2em6 h LEU 28 Cb 0.76 0.03 -0.09 0.00 0.37 0.00 0.00 40.66 41.73 2em6 h LEU 28 CO -0.40 0.25 0.32 1.56 -0.34 0.00 0.00 178.44 179.82 2em6 h GLN 29 N -0.47 0.47 -0.65 1.25 1.08 -1.15 0.53 115.11 116.19 2em6 h GLN 29 Ca -0.01 -0.03 0.05 0.00 -1.45 0.00 0.00 58.65 57.20 2em6 h GLN 29 Cb 0.39 -0.11 -0.05 0.00 -0.05 0.00 0.00 27.48 27.67 2em6 h GLN 29 CO 0.02 0.31 0.37 1.15 -0.95 0.00 0.00 178.83 179.74 2em6 h THR 30 N 0.49 1.01 -0.36 -0.54 2.02 -1.01 -2.51 112.91 112.01 2em6 h THR 30 Ca 0.40 -0.24 -0.09 0.00 0.77 0.00 0.00 66.41 67.24 2em6 h THR 30 Cb 0.55 0.24 -0.01 0.00 -1.74 0.00 0.00 68.15 67.19 2em6 h THR 30 CO -0.36 0.13 -0.12 -0.74 0.37 0.00 0.00 175.52 174.80 2em6 h HIS 31 N 0.71 0.82 -0.85 3.16 -0.00 -0.93 -2.84 115.15 115.23 2em6 h HIS 31 Ca 0.28 -0.19 0.25 0.00 -0.00 0.00 0.00 60.37 60.71 2em6 h HIS 31 Cb 0.12 -0.20 -0.03 0.00 -0.00 0.00 0.00 27.41 27.30 2em6 h HIS 31 CO -0.07 0.89 0.90 1.96 -0.00 0.00 0.00 177.93 181.61 2em6 h GLN 32 N 0.52 0.00 -0.95 5.26 4.20 -0.49 0.31 115.11 123.95 2em6 h GLN 32 Ca 0.09 0.00 0.18 0.00 0.06 0.00 0.00 58.65 58.98 2em6 h GLN 32 Cb 0.64 0.00 -0.08 0.00 0.30 0.00 0.00 27.48 28.34 2em6 h GLN 32 CO 0.04 0.00 0.60 0.00 -0.67 0.00 0.00 178.83 178.81 2em6 h ARG 33 N 0.00 0.63 0.00 1.46 3.08 -1.45 0.37 114.38 118.47 2em6 h ARG 33 Ca 0.40 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.42 2em6 h ARG 33 Cb 2.20 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 32.10 2em6 h ARG 33 CO -0.00 0.42 0.16 1.33 -1.07 0.00 0.00 179.97 180.81 2em6 n VAL 34 N -4.62 0.93 -0.02 2.04 0.24 0.11 -1.29 118.33 115.72 2em6 n VAL 34 Ca 0.20 0.70 -0.02 0.00 -2.04 0.00 0.00 64.34 63.18 2em6 n VAL 34 Cb 0.58 -1.70 -0.04 0.00 -1.47 0.00 0.00 33.84 31.21 2em6 n VAL 34 CO 0.00 0.00 0.00 1.41 -2.14 0.00 0.00 176.83 176.10 2em6 n HIS 35 N -2.00 0.00 -1.65 6.34 8.25 0.12 -4.92 115.22 121.35 2em6 n HIS 35 Ca -0.01 0.00 -0.54 0.00 -0.26 0.00 0.00 57.72 56.91 2em6 n HIS 35 Cb 0.18 -0.23 -0.06 0.00 1.12 0.00 0.00 29.99 31.00 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 -2.15 0.16 0.00 1.59 -2.24 -0.35 -1.38 114.28 109.91 2em6 n THR 36 Ca -0.07 -0.03 0.00 0.00 -2.27 0.00 0.00 64.05 61.68 2em6 n THR 36 Cb 0.63 -1.05 0.00 0.00 -2.10 0.00 0.00 70.33 67.81 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 3.37 2.90 3.46 3.38 0.00 -1.26 -4.97 105.19 112.08 2em6 n GLY 37 Ca 0.22 -0.75 -0.12 0.00 0.00 0.00 0.00 46.02 45.37 2em6 n GLY 37 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2em6 n GLU 38 N 0.00 0.18 0.18 1.61 0.00 -0.48 -4.70 120.64 117.43 2em6 n GLU 38 Ca 0.00 -1.04 -0.09 0.00 0.00 0.00 0.00 57.16 56.03 2em6 n GLU 38 Cb 0.00 -3.09 -0.05 0.00 0.00 0.00 0.00 31.44 28.30 2em6 n GLU 38 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.13 176.91 2em6 h LYS 39 N 11.38 -0.52 -6.27 5.31 3.64 -1.93 -3.43 116.57 124.75 2em6 h LYS 39 Ca 0.00 0.04 -0.56 0.00 -1.27 0.00 0.00 60.65 58.86 2em6 h LYS 39 Cb 1.01 0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 32.92 2em6 h LYS 39 CO 1.06 -0.30 1.10 -1.25 -2.27 0.00 0.00 179.45 177.79 2em6 s PRO 40 N -3.49 3.91 -0.36 1.90 0.04 -1.26 -4.98 135.00 130.76 2em6 s PRO 40 Ca -0.09 1.76 -0.00 0.00 0.04 0.00 0.00 61.00 62.70 2em6 s PRO 40 Cb 0.01 -4.00 0.09 0.00 0.04 0.00 0.00 34.50 30.64 2em6 s PRO 40 CO 0.29 -1.15 0.10 -1.12 0.04 0.00 0.00 177.00 175.16 2em6 s SER 41 N 3.83 4.98 0.00 6.66 0.01 -1.26 -5.02 113.70 122.90 2em6 s SER 41 Ca 0.70 -1.89 0.00 0.00 1.31 0.00 0.00 55.95 56.07 2em6 s SER 41 Cb -0.26 -1.73 0.00 0.00 0.21 0.00 0.00 66.02 64.24 2em6 s SER 41 CO 0.28 -0.42 0.95 0.61 0.41 0.00 0.00 173.24 175.07 2em6 n GLY 42 N 4.48 -2.70 0.00 3.44 0.00 -1.26 -2.14 105.19 107.01 2em6 n GLY 42 Ca -0.03 0.18 0.06 0.00 0.00 0.00 0.00 46.02 46.24 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 -2.14 0.49 -4.13 1.61 -0.04 -1.26 -4.84 135.00 124.69 2em6 n PRO 43 Ca 0.00 0.00 -0.34 0.00 -0.04 0.00 0.00 63.50 63.12 2em6 n PRO 43 Cb 0.00 -1.40 -0.01 0.00 -0.04 0.00 0.00 33.50 32.05 2em6 n PRO 43 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2em6 n SER 44 N -0.90 -3.59 -4.63 3.54 7.64 -0.91 -4.81 113.62 109.96 2em6 n SER 44 Ca 0.09 -0.95 -0.49 0.00 1.01 0.00 0.00 58.87 58.54 2em6 n SER 44 Cb 0.04 -3.08 -0.05 0.00 -1.01 0.00 0.00 64.21 60.11 2em6 n SER 44 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2em6 n SER 45 N -2.72 2.39 -0.09 6.43 7.64 -1.26 -5.12 113.62 120.90 2em6 n SER 45 Ca 0.05 1.10 0.01 0.00 1.01 0.00 0.00 58.87 61.04 2em6 n SER 45 Cb 0.51 -1.32 0.01 0.00 -1.01 0.00 0.00 64.21 62.40 2em6 n SER 45 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64