#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 4.43 0.60 1.61 0.01 -1.26 -5.12 113.70 113.98 2em6 s SER 2 Ca 0.00 -1.87 0.01 0.00 1.31 0.00 0.00 55.95 55.40 2em6 s SER 2 Cb 0.00 -1.34 0.06 0.00 0.21 0.00 0.00 66.02 64.95 2em6 s SER 2 CO 0.00 -0.37 0.84 -0.44 0.41 0.00 0.00 173.24 173.68 2em6 s SER 3 N 1.18 5.00 -1.24 2.44 0.01 -1.26 -4.56 113.70 115.27 2em6 s SER 3 Ca 0.08 -0.16 -0.32 0.00 1.31 0.00 0.00 55.95 56.86 2em6 s SER 3 Cb -0.18 -0.55 0.04 0.00 0.21 0.00 0.00 66.02 65.53 2em6 s SER 3 CO -0.13 -1.36 0.63 0.61 0.41 0.00 0.00 173.24 173.40 2em6 n GLY 4 N -2.48 -0.78 2.41 3.44 0.00 -1.26 -4.88 105.19 101.65 2em6 n GLY 4 Ca 0.10 0.33 -0.16 0.00 0.00 0.00 0.00 46.02 46.29 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 -2.24 3.54 -0.07 1.61 3.41 -1.26 -4.84 113.62 113.77 2em6 n SER 5 Ca -0.13 -3.15 -0.11 0.00 -0.26 0.00 0.00 58.87 55.23 2em6 n SER 5 Cb 0.57 -0.43 -0.08 0.00 -0.26 0.00 0.00 64.21 64.02 2em6 n SER 5 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 2em6 h SER 6 N 2.48 0.00 0.00 4.04 0.02 -1.97 -3.51 113.55 114.62 2em6 h SER 6 Ca 0.16 -0.52 0.00 0.00 -0.84 0.00 0.00 61.79 60.59 2em6 h SER 6 Cb 1.30 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.84 2em6 h SER 6 CO 0.59 0.93 0.00 0.61 -1.14 0.00 0.00 176.83 177.82 2em6 n GLY 7 N 1.62 2.18 0.18 -3.77 0.00 -1.26 -5.04 105.19 99.10 2em6 n GLY 7 Ca -0.11 -0.47 -0.14 0.00 0.00 0.00 0.00 46.02 45.30 2em6 n GLY 7 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 2em6 h MET 8 N 0.00 -0.36 -3.77 1.61 2.07 -1.99 -3.45 114.93 109.04 2em6 h MET 8 Ca 0.00 0.02 -0.19 0.00 -2.07 0.00 0.00 59.70 57.46 2em6 h MET 8 Cb 0.00 0.08 -0.24 0.00 -1.87 0.00 0.00 31.60 29.57 2em6 h MET 8 CO 0.00 -0.16 -0.67 0.20 1.07 0.00 0.00 176.91 177.35 2em6 s GLY 9 N -2.35 0.09 0.40 8.32 0.00 -1.26 -5.03 107.32 107.49 2em6 s GLY 9 Ca -0.15 -0.20 0.20 0.00 0.00 0.00 0.00 44.72 44.57 2em6 s GLY 9 CO 0.62 -0.24 1.78 -2.09 0.00 0.00 0.00 173.10 173.17 2em6 h GLU 10 N 5.36 0.00 -5.37 2.90 4.81 -1.96 -3.42 114.58 116.90 2em6 h GLU 10 Ca -0.28 0.00 -0.63 0.00 -0.13 0.00 0.00 59.36 58.32 2em6 h GLU 10 Cb 1.21 0.00 -0.16 0.00 0.63 0.00 0.00 28.75 30.43 2em6 h GLU 10 CO 0.45 0.33 -0.58 0.15 -0.73 0.00 0.00 179.01 178.64 2em6 s LYS 11 N -3.69 3.82 -0.30 1.92 3.01 -1.26 -5.00 119.74 118.24 2em6 s LYS 11 Ca -0.00 -0.36 0.13 0.00 -1.01 0.00 0.00 55.97 54.72 2em6 s LYS 11 Cb 0.11 -3.14 0.47 0.00 -1.01 0.00 0.00 37.83 34.27 2em6 s LYS 11 CO 0.67 0.34 1.14 0.00 0.51 0.00 0.00 175.35 178.01 2em6 n TYR 13 N -0.60 1.42 -4.97 0.00 4.01 -1.21 -4.74 117.16 111.07 2em6 n TYR 13 Ca 0.29 0.93 -0.29 0.00 -0.16 0.00 0.00 57.90 58.68 2em6 n TYR 13 Cb 0.87 -2.05 -0.15 0.00 -0.31 0.00 0.00 39.34 37.70 2em6 n TYR 13 CO 0.00 0.00 0.00 0.21 -0.46 0.00 0.00 176.86 176.61 2em6 s LYS 14 N 3.66 1.75 -0.31 -0.72 2.20 -1.26 -0.58 119.74 124.48 2em6 s LYS 14 Ca 1.00 -0.95 -0.23 0.00 -0.36 0.00 0.00 55.97 55.44 2em6 s LYS 14 Cb -1.37 -1.81 -0.00 0.00 -1.51 0.00 0.00 37.83 33.14 2em6 s LYS 14 CO 0.70 0.48 0.76 0.00 -0.36 0.00 0.00 175.35 176.92 2em6 n ASP 16 N 6.16 5.93 0.00 0.00 -0.08 -1.26 -2.75 116.55 124.55 2em6 n ASP 16 Ca 0.03 -2.97 0.00 0.00 -1.51 0.00 0.00 54.79 50.34 2em6 n ASP 16 Cb 0.48 -1.00 0.00 0.00 2.34 0.00 0.00 41.12 42.94 2em6 n ASP 16 CO 0.00 0.00 0.00 0.52 0.12 0.00 0.00 177.20 177.84 2em6 n VAL 17 N 0.34 0.00 -0.00 5.18 0.31 -1.26 -4.95 118.33 117.94 2em6 n VAL 17 Ca 0.28 0.00 -0.00 0.00 -0.01 0.00 0.00 64.34 64.60 2em6 n VAL 17 Cb 0.64 -0.99 -0.00 0.00 -0.91 0.00 0.00 33.84 32.58 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 3.41 0.46 3.49 0.00 0.00 -1.11 -5.11 105.19 106.34 2em6 n GLY 19 Ca -0.01 -0.79 -0.24 0.00 0.00 0.00 0.00 46.02 44.99 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 -0.18 1.69 -0.05 1.61 2.20 -1.24 -4.93 119.74 118.84 2em6 s LYS 20 Ca 0.00 -1.87 -0.02 0.00 -0.36 0.00 0.00 55.97 53.72 2em6 s LYS 20 Cb 0.00 -1.42 0.03 0.00 -1.51 0.00 0.00 37.83 34.93 2em6 s LYS 20 CO 0.00 0.08 0.11 -1.21 -0.36 0.00 0.00 175.35 173.97 2em6 s GLU 21 N -3.68 0.06 0.29 4.03 2.02 -1.26 -0.14 118.70 120.03 2em6 s GLU 21 Ca 0.31 0.30 0.09 0.00 0.02 0.00 0.00 54.97 55.69 2em6 s GLU 21 Cb 0.03 -0.17 -0.06 0.00 0.10 0.00 0.00 34.13 34.03 2em6 s GLU 21 CO 0.14 -0.15 -0.11 -0.06 0.02 0.00 0.00 175.26 175.11 2em6 s PHE 22 N 1.03 2.14 -0.09 1.61 0.40 0.26 -5.01 117.98 118.32 2em6 s PHE 22 Ca -0.08 -0.55 -0.14 0.00 -0.60 0.00 0.00 56.93 55.56 2em6 s PHE 22 Cb -0.11 -1.14 -0.28 0.00 0.51 0.00 0.00 43.02 42.00 2em6 s PHE 22 CO -0.05 0.48 0.57 1.03 0.70 0.00 0.00 175.22 177.95 2em6 h SER 23 N 2.22 0.45 -2.41 1.36 0.87 -1.86 -3.20 113.55 110.98 2em6 h SER 23 Ca -0.40 -0.88 -0.52 0.00 -1.23 0.00 0.00 61.79 58.75 2em6 h SER 23 Cb 1.24 -0.15 -0.04 0.00 -0.44 0.00 0.00 62.40 63.02 2em6 h SER 23 CO 0.66 1.68 -0.51 -1.10 -0.53 0.00 0.00 176.83 177.04 2em6 s GLN 24 N -2.51 3.12 0.05 2.24 -0.21 -1.26 -4.76 119.66 116.33 2em6 s GLN 24 Ca -0.19 -0.86 -0.26 0.00 0.02 0.00 0.00 55.36 54.07 2em6 s GLN 24 Cb 0.05 -2.73 -0.17 0.00 1.00 0.00 0.00 33.01 31.16 2em6 s GLN 24 CO 0.79 0.45 1.53 1.03 -2.12 0.00 0.00 175.29 176.97 2em6 h SER 25 N 1.81 -0.26 -0.82 5.90 0.87 -1.99 -2.98 113.55 116.07 2em6 h SER 25 Ca -0.49 -0.10 0.13 0.00 -1.23 0.00 0.00 61.79 60.10 2em6 h SER 25 Cb 1.22 0.07 -0.09 0.00 -0.44 0.00 0.00 62.40 63.16 2em6 h SER 25 CO 0.63 -0.06 0.42 0.28 -0.53 0.00 0.00 176.83 177.56 2em6 h SER 26 N -0.46 0.52 -1.12 6.23 0.02 -1.99 0.69 113.55 117.45 2em6 h SER 26 Ca -0.03 0.08 0.31 0.00 -0.84 0.00 0.00 61.79 61.31 2em6 h SER 26 Cb 0.35 -0.00 -0.07 0.00 0.14 0.00 0.00 62.40 62.82 2em6 h SER 26 CO 0.05 0.24 0.77 0.45 -1.14 0.00 0.00 176.83 177.21 2em6 h HIS 27 N 0.63 0.26 0.00 3.45 3.86 -1.94 -0.15 115.15 121.26 2em6 h HIS 27 Ca 0.43 0.01 -0.01 0.00 -1.16 0.00 0.00 60.37 59.65 2em6 h HIS 27 Cb 0.57 -0.07 -0.00 0.00 1.06 0.00 0.00 27.41 28.96 2em6 h HIS 27 CO -0.10 0.01 -0.20 1.25 0.86 0.00 0.00 177.93 179.76 2em6 h LEU 28 N 0.15 0.00 -0.96 2.43 5.85 -0.90 -3.16 115.31 118.72 2em6 h LEU 28 Ca 0.57 -0.07 0.30 0.00 0.84 0.00 0.00 57.88 59.53 2em6 h LEU 28 Cb 1.96 0.00 -0.16 0.00 0.37 0.00 0.00 40.66 42.83 2em6 h LEU 28 CO -0.13 0.64 0.34 0.06 -0.34 0.00 0.00 178.44 179.01 2em6 h GLN 29 N -1.00 0.14 -0.42 1.25 3.07 -0.85 0.57 115.11 117.88 2em6 h GLN 29 Ca -0.01 -0.01 -0.05 0.00 0.09 0.00 0.00 58.65 58.67 2em6 h GLN 29 Cb 0.25 -0.03 -0.02 0.00 0.08 0.00 0.00 27.48 27.76 2em6 h GLN 29 CO -0.01 0.09 0.05 1.15 0.09 0.00 0.00 178.83 180.21 2em6 h THR 30 N 0.15 1.25 -0.68 1.86 2.02 -1.19 -3.03 112.91 113.28 2em6 h THR 30 Ca 0.67 -0.92 -0.05 0.00 0.77 0.00 0.00 66.41 66.88 2em6 h THR 30 Cb 1.53 1.03 -0.03 0.00 -1.74 0.00 0.00 68.15 68.94 2em6 h THR 30 CO -0.73 0.31 0.22 -0.74 0.37 0.00 0.00 175.52 174.96 2em6 h HIS 31 N 0.55 1.10 0.00 3.16 -0.00 0.03 -2.25 115.15 117.74 2em6 h HIS 31 Ca 0.12 -0.11 0.00 0.00 -0.00 0.00 0.00 60.37 60.38 2em6 h HIS 31 Cb 0.40 -0.32 0.00 0.00 -0.00 0.00 0.00 27.41 27.49 2em6 h HIS 31 CO 0.03 0.88 0.50 1.96 -0.00 0.00 0.00 177.93 181.30 2em6 h GLN 32 N 1.00 0.00 -0.55 5.26 4.20 -0.61 0.11 115.11 124.52 2em6 h GLN 32 Ca 0.22 0.00 0.14 0.00 0.06 0.00 0.00 58.65 59.07 2em6 h GLN 32 Cb 0.30 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.05 2em6 h GLN 32 CO -0.01 0.00 0.39 0.00 -0.67 0.00 0.00 178.83 178.54 2em6 h ARG 33 N 0.00 0.13 0.00 1.46 3.08 -1.48 0.38 114.38 117.95 2em6 h ARG 33 Ca 0.00 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.04 2em6 h ARG 33 Cb 1.01 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 31.03 2em6 h ARG 33 CO 0.00 0.09 0.00 1.33 -1.07 0.00 0.00 179.97 180.32 2em6 n VAL 34 N -4.42 1.27 -0.00 2.04 0.24 0.39 -2.25 118.33 115.60 2em6 n VAL 34 Ca 0.10 0.32 0.00 0.00 -2.04 0.00 0.00 64.34 62.72 2em6 n VAL 34 Cb 0.53 -1.17 -0.02 0.00 -1.47 0.00 0.00 33.84 31.72 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 -1.45 0.00 -1.99 6.34 8.25 0.12 -5.03 115.22 121.46 2em6 n HIS 35 Ca 0.03 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.07 2em6 n HIS 35 Cb 0.09 -0.06 -0.02 0.00 1.12 0.00 0.00 29.99 31.13 2em6 n HIS 35 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 2em6 s THR 36 N -2.11 2.56 0.00 1.59 -4.23 -0.35 -3.31 115.64 109.78 2em6 s THR 36 Ca -0.01 0.49 0.00 0.00 -1.18 0.00 0.00 61.69 61.00 2em6 s THR 36 Cb 0.01 -3.32 0.00 0.00 1.34 0.00 0.00 72.50 70.53 2em6 s THR 36 CO 0.08 0.09 0.00 0.61 -0.54 0.00 0.00 174.62 174.86 2em6 n GLY 37 N 1.72 2.75 3.21 3.99 0.00 -1.26 -4.96 105.19 110.64 2em6 n GLY 37 Ca 0.05 -0.97 -0.35 0.00 0.00 0.00 0.00 46.02 44.75 2em6 n GLY 37 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2em6 n GLU 38 N 0.00 -0.45 -3.94 1.61 -0.58 -1.21 -2.64 120.64 113.44 2em6 n GLU 38 Ca 0.00 -0.11 -0.28 0.00 -0.42 0.00 0.00 57.16 56.35 2em6 n GLU 38 Cb 0.00 -1.46 -0.05 0.00 -0.57 0.00 0.00 31.44 29.36 2em6 n GLU 38 CO 0.00 0.00 0.00 0.36 -0.48 0.00 0.00 177.13 177.01 2em6 n LYS 39 N 0.01 -0.80 -1.20 3.49 2.85 -1.26 -4.87 118.16 116.38 2em6 n LYS 39 Ca 0.02 0.03 -0.30 0.00 -1.05 0.00 0.00 58.31 57.01 2em6 n LYS 39 Cb 0.59 -2.46 0.14 0.00 -0.65 0.00 0.00 35.03 32.65 2em6 n LYS 39 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 177.40 176.10 2em6 s PRO 40 N -6.55 1.23 -0.21 -1.58 0.04 -1.08 -5.04 135.00 121.81 2em6 s PRO 40 Ca 0.11 0.81 -0.05 0.00 0.04 0.00 0.00 61.00 61.91 2em6 s PRO 40 Cb -0.06 -1.81 -0.02 0.00 0.04 0.00 0.00 34.50 32.65 2em6 s PRO 40 CO 0.77 -2.26 0.01 -1.54 0.04 0.00 0.00 177.00 174.02 2em6 s SER 41 N -3.42 4.84 -0.31 6.66 1.04 -1.26 -4.80 113.70 116.44 2em6 s SER 41 Ca 0.63 -0.22 -0.04 0.00 0.48 0.00 0.00 55.95 56.80 2em6 s SER 41 Cb -0.18 -1.84 0.00 0.00 0.10 0.00 0.00 66.02 64.11 2em6 s SER 41 CO 0.57 0.03 0.14 0.61 0.98 0.00 0.00 173.24 175.58 2em6 n GLY 42 N 4.44 -3.44 0.00 7.32 0.00 -1.26 -4.83 105.19 107.43 2em6 n GLY 42 Ca -0.17 0.60 0.07 0.00 0.00 0.00 0.00 46.02 46.52 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 0.39 0.49 -1.11 1.61 -0.04 -1.26 -4.84 135.00 130.24 2em6 n PRO 43 Ca 0.03 0.00 -0.31 0.00 -0.04 0.00 0.00 63.50 63.18 2em6 n PRO 43 Cb 0.11 -1.42 -0.11 0.00 -0.04 0.00 0.00 33.50 32.04 2em6 n PRO 43 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2em6 n SER 44 N -0.92 0.22 -4.22 3.54 2.88 -1.26 -4.81 113.62 109.04 2em6 n SER 44 Ca 0.10 0.14 -0.41 0.00 -1.33 0.00 0.00 58.87 57.36 2em6 n SER 44 Cb 0.05 -0.68 -0.04 0.00 -0.75 0.00 0.00 64.21 62.78 2em6 n SER 44 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2em6 s SER 45 N 6.65 6.40 0.00 -3.46 1.04 -1.26 -5.23 113.70 117.84 2em6 s SER 45 Ca 1.01 -3.25 0.00 0.00 0.48 0.00 0.00 55.95 54.18 2em6 s SER 45 Cb -0.94 -2.06 0.00 0.00 0.10 0.00 0.00 66.02 63.13 2em6 s SER 45 CO 0.37 -0.35 0.00 0.61 0.98 0.00 0.00 173.24 174.85