#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 3.07 -0.03 1.61 0.01 -1.26 -5.10 113.70 112.00 2em6 s SER 2 Ca 0.00 -2.97 0.07 0.00 1.31 0.00 0.00 55.95 54.36 2em6 s SER 2 Cb 0.00 -0.88 -0.02 0.00 0.21 0.00 0.00 66.02 65.33 2em6 s SER 2 CO 0.00 -0.20 -0.24 -0.94 0.41 0.00 0.00 173.24 172.27 2em6 s SER 3 N -0.02 2.79 -0.48 2.44 1.04 -1.26 -5.07 113.70 113.14 2em6 s SER 3 Ca 0.24 -0.44 0.06 0.00 0.48 0.00 0.00 55.95 56.30 2em6 s SER 3 Cb -0.11 -0.40 0.25 0.00 0.10 0.00 0.00 66.02 65.86 2em6 s SER 3 CO -0.10 0.28 0.89 0.61 0.98 0.00 0.00 173.24 175.90 2em6 n GLY 4 N 2.59 0.18 3.20 7.32 0.00 -1.26 -5.15 105.19 112.08 2em6 n GLY 4 Ca -0.16 0.07 -0.12 0.00 0.00 0.00 0.00 46.02 45.81 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 -1.65 0.51 1.13 1.61 0.15 -1.26 -5.15 113.70 109.03 2em6 s SER 5 Ca 0.31 -1.28 -0.14 0.00 0.70 0.00 0.00 55.95 55.55 2em6 s SER 5 Cb 0.23 0.28 0.23 0.00 -1.71 0.00 0.00 66.02 65.05 2em6 s SER 5 CO -0.23 -0.74 0.82 -1.20 1.20 0.00 0.00 173.24 173.09 2em6 n SER 6 N -0.21 -1.64 0.00 5.45 7.64 -1.26 -4.96 113.62 118.64 2em6 n SER 6 Ca -0.03 -0.07 0.00 0.00 1.01 0.00 0.00 58.87 59.78 2em6 n SER 6 Cb 0.65 -1.23 0.00 0.00 -1.01 0.00 0.00 64.21 62.62 2em6 n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2em6 n GLY 7 N 1.14 2.51 3.28 0.23 0.00 -1.26 -5.16 105.19 105.93 2em6 n GLY 7 Ca 0.04 -0.85 -0.11 0.00 0.00 0.00 0.00 46.02 45.10 2em6 n GLY 7 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 2em6 s MET 8 N -2.60 0.41 0.34 1.61 0.00 -1.26 -5.17 119.30 112.62 2em6 s MET 8 Ca 0.00 0.78 0.02 0.00 0.00 0.00 0.00 55.69 56.49 2em6 s MET 8 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 34.83 34.83 2em6 s MET 8 CO 0.00 -0.15 0.08 0.41 0.00 0.00 0.00 175.02 175.36 2em6 n GLY 9 N 4.13 3.51 3.92 3.16 0.00 -1.26 -5.16 105.19 113.50 2em6 n GLY 9 Ca -0.22 -2.15 -0.26 0.00 0.00 0.00 0.00 46.02 43.39 2em6 n GLY 9 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2em6 s GLU 10 N -3.27 3.38 -0.41 1.61 -1.05 -1.26 -5.03 118.70 112.67 2em6 s GLU 10 Ca 0.11 -0.04 -0.27 0.00 -0.15 0.00 0.00 54.97 54.62 2em6 s GLU 10 Cb 0.01 -2.45 0.02 0.00 -0.44 0.00 0.00 34.13 31.27 2em6 s GLU 10 CO 0.08 -0.20 1.02 0.21 0.95 0.00 0.00 175.26 177.32 2em6 s LYS 11 N -4.65 3.79 -1.15 -4.83 2.47 -1.26 -4.96 119.74 109.15 2em6 s LYS 11 Ca 0.47 0.59 -0.21 0.00 -1.56 0.00 0.00 55.97 55.26 2em6 s LYS 11 Cb -0.10 -3.85 0.03 0.00 -1.46 0.00 0.00 37.83 32.46 2em6 s LYS 11 CO 0.42 -1.13 1.68 0.00 0.16 0.00 0.00 175.35 176.48 2em6 n TYR 13 N 9.80 1.09 -4.05 0.00 4.02 -1.24 -4.88 117.16 121.91 2em6 n TYR 13 Ca 0.42 0.16 -0.35 0.00 -0.01 0.00 0.00 57.90 58.12 2em6 n TYR 13 Cb 0.48 -2.44 -0.13 0.00 -0.02 0.00 0.00 39.34 37.23 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 8.48 3.59 -0.06 -0.72 2.20 -1.26 -1.78 119.74 130.19 2em6 s LYS 14 Ca 1.09 -0.53 -0.29 0.00 -0.36 0.00 0.00 55.97 55.87 2em6 s LYS 14 Cb -0.47 -3.07 -0.07 0.00 -1.51 0.00 0.00 37.83 32.71 2em6 s LYS 14 CO 0.31 -0.02 1.91 0.00 -0.36 0.00 0.00 175.35 177.19 2em6 n ASP 16 N 8.30 6.30 0.03 0.00 9.92 -1.26 -2.92 116.55 136.91 2em6 n ASP 16 Ca 0.21 -3.03 0.00 0.00 -0.53 0.00 0.00 54.79 51.44 2em6 n ASP 16 Cb 0.43 -1.04 0.00 0.00 -0.64 0.00 0.00 41.12 39.86 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 0.36 0.22 -0.06 2.53 0.31 -1.26 -4.96 118.33 115.47 2em6 n VAL 17 Ca 0.29 0.07 -0.08 0.00 -0.01 0.00 0.00 64.34 64.61 2em6 n VAL 17 Cb 0.60 -1.07 -0.06 0.00 -0.91 0.00 0.00 33.84 32.40 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 2.91 1.47 3.92 0.00 0.00 -1.15 -5.11 105.19 107.23 2em6 n GLY 19 Ca -0.21 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.54 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 3.57 -0.01 1.61 2.47 -1.25 -4.88 119.74 121.25 2em6 s LYS 20 Ca 0.00 -0.07 0.02 0.00 -1.56 0.00 0.00 55.97 54.36 2em6 s LYS 20 Cb 0.00 -2.61 0.00 0.00 -1.46 0.00 0.00 37.83 33.77 2em6 s LYS 20 CO 0.00 0.12 -0.06 -1.21 0.16 0.00 0.00 175.35 174.37 2em6 s GLU 21 N -3.99 0.54 0.10 4.03 2.02 -1.26 0.22 118.70 120.36 2em6 s GLU 21 Ca 0.43 -0.19 0.04 0.00 0.02 0.00 0.00 54.97 55.27 2em6 s GLU 21 Cb -0.10 -0.54 -0.04 0.00 0.10 0.00 0.00 34.13 33.56 2em6 s GLU 21 CO 0.34 0.09 -0.10 -0.06 0.02 0.00 0.00 175.26 175.55 2em6 s PHE 22 N 0.06 1.05 -0.00 1.61 0.08 -0.73 -5.02 117.98 115.03 2em6 s PHE 22 Ca -0.00 -0.67 -0.19 0.00 0.12 0.00 0.00 56.93 56.18 2em6 s PHE 22 Cb -0.05 -0.58 -0.31 0.00 -0.57 0.00 0.00 43.02 41.52 2em6 s PHE 22 CO -0.00 -0.01 0.99 0.77 -0.10 0.00 0.00 175.22 176.87 2em6 h SER 23 N 3.51 0.64 -1.90 1.36 0.02 -1.94 -3.28 113.55 111.96 2em6 h SER 23 Ca -0.37 -0.89 -0.48 0.00 -0.84 0.00 0.00 61.79 59.20 2em6 h SER 23 Cb 1.19 -0.21 -0.03 0.00 0.14 0.00 0.00 62.40 63.49 2em6 h SER 23 CO 0.54 1.48 -0.44 -1.10 -1.14 0.00 0.00 176.83 176.17 2em6 s GLN 24 N -2.68 2.87 0.00 3.45 -1.52 -1.26 -4.76 119.66 115.76 2em6 s GLN 24 Ca -0.12 -1.17 -0.24 0.00 -1.95 0.00 0.00 55.36 51.88 2em6 s GLN 24 Cb 0.03 -2.58 -0.13 0.00 -0.22 0.00 0.00 33.01 30.10 2em6 s GLN 24 CO 0.88 0.15 1.00 0.77 -0.25 0.00 0.00 175.29 177.84 2em6 h SER 25 N 1.21 -0.72 -0.94 5.90 0.02 -1.92 -3.26 113.55 113.84 2em6 h SER 25 Ca -0.46 0.02 0.17 0.00 -0.84 0.00 0.00 61.79 60.68 2em6 h SER 25 Cb 1.25 0.19 -0.17 0.00 0.14 0.00 0.00 62.40 63.81 2em6 h SER 25 CO 0.58 -0.33 -0.28 0.28 -1.14 0.00 0.00 176.83 175.93 2em6 h SER 26 N -1.22 -1.05 -0.92 3.07 0.02 -2.00 0.43 113.55 111.89 2em6 h SER 26 Ca -0.09 0.29 0.24 0.00 -0.84 0.00 0.00 61.79 61.39 2em6 h SER 26 Cb 0.66 0.63 -0.17 0.00 0.14 0.00 0.00 62.40 63.66 2em6 h SER 26 CO 0.14 -0.31 0.02 0.45 -1.14 0.00 0.00 176.83 175.99 2em6 h HIS 27 N -0.01 -0.06 0.87 3.45 3.86 -1.99 0.64 115.15 121.91 2em6 h HIS 27 Ca 0.41 0.07 -0.04 0.00 -1.16 0.00 0.00 60.37 59.65 2em6 h HIS 27 Cb 0.66 0.17 0.01 0.00 1.06 0.00 0.00 27.41 29.31 2em6 h HIS 27 CO -0.76 -0.36 -0.42 1.25 0.86 0.00 0.00 177.93 178.49 2em6 h LEU 28 N 0.05 -0.99 -0.74 2.43 5.85 -0.20 -2.77 115.31 118.94 2em6 h LEU 28 Ca 0.54 0.03 0.16 0.00 0.84 0.00 0.00 57.88 59.45 2em6 h LEU 28 Cb 1.05 0.26 -0.13 0.00 0.37 0.00 0.00 40.66 42.20 2em6 h LEU 28 CO -0.84 -0.65 -0.08 1.56 -0.34 0.00 0.00 178.44 178.08 2em6 h GLN 29 N -1.27 0.05 -0.73 1.25 4.20 -0.86 0.29 115.11 118.04 2em6 h GLN 29 Ca -0.12 -0.00 0.14 0.00 0.06 0.00 0.00 58.65 58.72 2em6 h GLN 29 Cb 0.90 -0.01 -0.09 0.00 0.30 0.00 0.00 27.48 28.57 2em6 h GLN 29 CO 0.20 0.03 0.27 1.15 -0.67 0.00 0.00 178.83 179.81 2em6 h THR 30 N 0.05 0.66 -0.11 -0.54 2.02 -0.87 -0.73 112.91 113.39 2em6 h THR 30 Ca 0.38 -0.14 -0.19 0.00 0.77 0.00 0.00 66.41 67.23 2em6 h THR 30 Cb 0.64 0.21 -0.00 0.00 -1.74 0.00 0.00 68.15 67.25 2em6 h THR 30 CO -0.70 0.08 -0.71 -0.74 0.37 0.00 0.00 175.52 173.81 2em6 h HIS 31 N 0.41 0.67 -0.48 3.16 -0.00 -0.39 -3.06 115.15 115.47 2em6 h HIS 31 Ca 0.40 -0.29 0.14 0.00 -0.00 0.00 0.00 60.37 60.62 2em6 h HIS 31 Cb 0.60 -0.11 -0.02 0.00 -0.00 0.00 0.00 27.41 27.88 2em6 h HIS 31 CO -0.18 1.05 0.57 1.96 -0.00 0.00 0.00 177.93 181.34 2em6 h GLN 32 N 0.35 0.00 -0.35 5.26 1.08 0.96 0.24 115.11 122.66 2em6 h GLN 32 Ca -0.03 0.00 0.10 0.00 -1.45 0.00 0.00 58.65 57.27 2em6 h GLN 32 Cb 1.29 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.70 2em6 h GLN 32 CO 0.13 0.00 0.26 0.00 -0.95 0.00 0.00 178.83 178.27 2em6 h ARG 33 N 0.00 0.00 0.00 1.46 3.08 -1.41 0.38 114.38 117.90 2em6 h ARG 33 Ca 0.23 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.28 2em6 h ARG 33 Cb 1.37 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.42 2em6 h ARG 33 CO -0.00 0.00 0.00 1.33 -1.07 0.00 0.00 179.97 180.23 2em6 n VAL 34 N -4.37 0.26 -0.03 2.04 0.24 0.85 -2.75 118.33 114.58 2em6 n VAL 34 Ca 0.06 0.07 -0.03 0.00 -2.04 0.00 0.00 64.34 62.39 2em6 n VAL 34 Cb 0.44 -0.74 -0.04 0.00 -1.47 0.00 0.00 33.84 32.03 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 -1.19 0.00 0.26 6.34 8.25 0.12 -4.58 115.22 124.42 2em6 n HIS 35 Ca 0.11 0.00 0.15 0.00 -0.26 0.00 0.00 57.72 57.73 2em6 n HIS 35 Cb 0.13 -0.27 0.57 0.00 1.12 0.00 0.00 29.99 31.54 2em6 n HIS 35 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2em6 h THR 36 N 0.00 0.11 -0.45 1.59 1.03 -1.16 -3.22 112.91 110.82 2em6 h THR 36 Ca -0.15 -0.70 -0.28 0.00 -0.01 0.00 0.00 66.41 65.27 2em6 h THR 36 Cb 1.32 1.63 -0.11 0.00 -1.07 0.00 0.00 68.15 69.92 2em6 h THR 36 CO 0.00 0.04 0.23 0.61 -0.01 0.00 0.00 175.52 176.40 2em6 n GLY 37 N 0.21 3.70 3.98 2.99 0.00 -1.11 -4.90 105.19 110.05 2em6 n GLY 37 Ca 0.01 -1.06 -0.20 0.00 0.00 0.00 0.00 46.02 44.77 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 -1.08 2.49 -1.17 1.61 2.12 -1.22 -4.70 118.70 116.76 2em6 s GLU 38 Ca 0.35 -1.57 -0.03 0.00 0.36 0.00 0.00 54.97 54.09 2em6 s GLU 38 Cb 0.23 -2.55 -0.02 0.00 0.26 0.00 0.00 34.13 32.06 2em6 s GLU 38 CO -0.05 -0.53 0.93 1.63 -0.54 0.00 0.00 175.26 176.70 2em6 n LYS 39 N -1.93 -4.91 0.00 4.30 4.76 -1.26 -4.86 118.16 114.25 2em6 n LYS 39 Ca 0.09 0.81 0.07 0.00 -2.87 0.00 0.00 58.31 56.41 2em6 n LYS 39 Cb 0.61 -5.71 0.40 0.00 -1.84 0.00 0.00 35.03 28.49 2em6 n LYS 39 CO 0.00 0.00 0.00 -0.35 -1.37 0.00 0.00 177.40 175.68 2em6 n PRO 40 N -3.88 0.29 -4.09 1.97 -0.04 -1.26 -4.71 135.00 123.28 2em6 n PRO 40 Ca -0.22 0.10 -0.30 0.00 -0.04 0.00 0.00 63.50 63.05 2em6 n PRO 40 Cb 0.65 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.54 2em6 n PRO 40 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 2em6 s SER 41 N -2.40 5.29 0.00 3.54 0.01 -1.26 -5.09 113.70 113.79 2em6 s SER 41 Ca 0.17 -0.10 0.00 0.00 1.31 0.00 0.00 55.95 57.33 2em6 s SER 41 Cb 0.10 -1.34 0.00 0.00 0.21 0.00 0.00 66.02 64.99 2em6 s SER 41 CO 0.21 0.16 0.00 0.61 0.41 0.00 0.00 173.24 174.64 2em6 n GLY 42 N 0.44 3.72 3.51 3.44 0.00 -1.26 -5.16 105.19 109.88 2em6 n GLY 42 Ca -0.10 -1.05 -0.30 0.00 0.00 0.00 0.00 46.02 44.58 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 -1.38 -3.16 -1.09 1.61 -0.04 -1.26 -4.88 135.00 124.80 2em6 n PRO 43 Ca 0.00 -1.75 -0.39 0.00 -0.04 0.00 0.00 63.50 61.32 2em6 n PRO 43 Cb 0.00 -1.64 -0.03 0.00 -0.04 0.00 0.00 33.50 31.78 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 -4.88 -0.69 -4.62 3.54 2.88 -1.26 -4.55 113.62 104.05 2em6 n SER 44 Ca 0.15 0.87 -0.63 0.00 -1.33 0.00 0.00 58.87 57.94 2em6 n SER 44 Cb 0.59 -0.72 -0.10 0.00 -0.75 0.00 0.00 64.21 63.23 2em6 n SER 44 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2em6 n SER 45 N 1.42 1.48 0.00 -3.46 7.64 -1.26 -5.29 113.62 114.15 2em6 n SER 45 Ca 0.14 1.00 0.00 0.00 1.01 0.00 0.00 58.87 61.02 2em6 n SER 45 Cb 0.15 -0.98 0.00 0.00 -1.01 0.00 0.00 64.21 62.38 2em6 n SER 45 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64