#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2emk s SER 2 N 0.00 6.41 -0.12 1.61 0.01 -1.26 -4.84 113.70 115.51 2emk s SER 2 Ca 0.00 -1.49 -0.07 0.00 1.31 0.00 0.00 55.95 55.70 2emk s SER 2 Cb 0.00 -2.43 -0.02 0.00 0.21 0.00 0.00 66.02 63.77 2emk s SER 2 CO 0.00 -1.30 -0.14 -1.28 0.41 0.00 0.00 173.24 170.93 2emk h SER 3 N 9.29 0.00 0.00 2.44 0.87 -2.16 -3.50 113.55 120.49 2emk h SER 3 Ca -0.03 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.53 2emk h SER 3 Cb 1.04 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.00 2emk h SER 3 CO 1.18 0.66 0.00 0.61 -0.53 0.00 0.00 176.83 178.75 2emk n GLY 4 N 1.65 2.08 3.10 5.77 0.00 -1.26 -5.13 105.19 111.40 2emk n GLY 4 Ca -0.06 0.36 -0.33 0.00 0.00 0.00 0.00 46.02 45.99 2emk n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2emk s SER 5 N 0.00 4.77 0.48 1.61 1.04 -1.26 -5.11 113.70 115.23 2emk s SER 5 Ca 0.00 -1.62 -0.11 0.00 0.48 0.00 0.00 55.95 54.70 2emk s SER 5 Cb 0.00 -1.65 -0.06 0.00 0.10 0.00 0.00 66.02 64.41 2emk s SER 5 CO 0.00 -0.30 0.87 -0.44 0.98 0.00 0.00 173.24 174.35 2emk s SER 6 N 1.20 6.44 0.16 7.02 0.01 -1.26 -5.01 113.70 122.26 2emk s SER 6 Ca -0.01 1.24 0.00 0.00 1.31 0.00 0.00 55.95 58.49 2emk s SER 6 Cb -0.20 -2.38 0.00 0.00 0.21 0.00 0.00 66.02 63.65 2emk s SER 6 CO -0.04 -0.56 0.00 0.61 0.41 0.00 0.00 173.24 173.65 2emk n GLY 7 N -1.83 -0.16 0.34 3.44 0.00 -1.26 -4.88 105.19 100.84 2emk n GLY 7 Ca 0.04 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.03 2emk n GLY 7 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2emk h THR 8 N 0.00 0.14 0.00 2.61 2.02 -2.08 -3.46 112.91 112.14 2emk h THR 8 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 2emk h THR 8 Cb 0.10 0.14 0.00 0.00 -1.74 0.00 0.00 68.15 66.65 2emk h THR 8 CO 0.00 0.00 0.00 0.61 0.37 0.00 0.00 175.52 176.50 2emk n GLY 9 N -1.47 0.59 3.81 2.16 0.00 -1.26 -4.99 105.19 104.03 2emk n GLY 9 Ca 0.07 -1.02 -0.02 0.00 0.00 0.00 0.00 46.02 45.05 2emk n GLY 9 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2emk s GLU 10 N 0.00 1.11 0.50 1.61 -1.05 -1.26 -5.16 118.70 114.45 2emk s GLU 10 Ca 0.00 -0.68 -0.19 0.00 -0.15 0.00 0.00 54.97 53.95 2emk s GLU 10 Cb 0.00 0.34 -0.08 0.00 -0.44 0.00 0.00 34.13 33.95 2emk s GLU 10 CO 0.00 -0.52 1.02 0.15 0.95 0.00 0.00 175.26 176.87 2emk s LYS 11 N -2.56 3.80 0.00 -4.83 -0.14 -1.26 -4.93 119.74 109.82 2emk s LYS 11 Ca 0.18 1.25 0.15 0.00 -1.36 0.00 0.00 55.97 56.19 2emk s LYS 11 Cb -0.01 -2.10 0.78 0.00 -1.68 0.00 0.00 37.83 34.81 2emk s LYS 11 CO 0.03 -0.42 1.40 -0.35 -0.76 0.00 0.00 175.35 175.25 2emk n PRO 12 N -1.16 0.25 -3.95 -1.68 -0.04 -1.26 -4.51 135.00 122.66 2emk n PRO 12 Ca 0.09 0.12 -0.34 0.00 -0.04 0.00 0.00 63.50 63.32 2emk n PRO 12 Cb 0.53 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.35 2emk n PRO 12 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 2emk s TYR 13 N -2.48 3.12 0.02 0.54 2.02 -1.26 -5.09 117.35 114.22 2emk s TYR 13 Ca 0.15 -1.66 -0.03 0.00 -0.37 0.00 0.00 57.07 55.17 2emk s TYR 13 Cb 0.10 -2.07 -0.01 0.00 -0.40 0.00 0.00 41.96 39.58 2emk s TYR 13 CO 0.22 -0.75 0.03 -2.00 -1.57 0.00 0.00 175.55 171.47 2emk s GLU 14 N 1.30 0.40 -0.95 -0.62 2.12 -1.26 -1.37 118.70 118.32 2emk s GLU 14 Ca -0.02 -0.60 -0.19 0.00 0.36 0.00 0.00 54.97 54.52 2emk s GLU 14 Cb -0.18 0.15 0.12 0.00 0.26 0.00 0.00 34.13 34.49 2emk s GLU 14 CO -0.04 -0.08 1.19 0.00 -0.54 0.00 0.00 175.26 175.79 2emk h LYS 16 N 8.95 0.00 0.10 0.00 3.64 -1.96 1.84 116.57 129.13 2emk h LYS 16 Ca 0.17 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.54 2emk h LYS 16 Cb 1.02 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.84 2emk h LYS 16 CO 1.16 0.00 -0.05 0.93 -2.27 0.00 0.00 179.45 179.23 2emk h GLU 17 N 0.00 -0.13 0.00 1.90 4.39 -1.99 -3.42 114.58 115.34 2emk h GLU 17 Ca 0.00 0.01 -0.17 0.00 0.34 0.00 0.00 59.36 59.54 2emk h GLU 17 Cb 0.39 0.03 -0.03 0.00 -0.10 0.00 0.00 28.75 29.04 2emk h GLU 17 CO 0.00 0.37 -1.62 0.00 -1.16 0.00 0.00 179.01 176.60 2emk n GLY 19 N 2.70 0.50 2.93 0.00 0.00 0.61 -5.04 105.19 106.90 2emk n GLY 19 Ca -0.20 -0.80 -0.25 0.00 0.00 0.00 0.00 46.02 44.77 2emk n GLY 19 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2emk s LYS 20 N -0.41 1.40 -0.05 1.61 2.20 -1.23 -4.83 119.74 118.43 2emk s LYS 20 Ca 0.00 -0.25 -0.14 0.00 -0.36 0.00 0.00 55.97 55.22 2emk s LYS 20 Cb 0.00 -1.36 -0.05 0.00 -1.51 0.00 0.00 37.83 34.90 2emk s LYS 20 CO 0.00 -0.15 0.35 0.00 -0.36 0.00 0.00 175.35 175.20 2emk s ALA 21 N 1.27 3.69 0.02 3.13 0.00 -1.26 -0.04 121.76 128.57 2emk s ALA 21 Ca -0.04 -0.32 0.06 0.00 0.00 0.00 0.00 51.96 51.66 2emk s ALA 21 Cb -0.14 -2.34 -0.02 0.00 0.00 0.00 0.00 23.12 20.62 2emk s ALA 21 CO -0.03 0.41 -0.18 -0.06 0.00 0.00 0.00 175.76 175.91 2emk s PHE 22 N -0.72 1.56 0.21 0.00 0.40 -0.47 -4.99 117.98 113.97 2emk s PHE 22 Ca 0.21 -0.33 -0.10 0.00 -0.60 0.00 0.00 56.93 56.12 2emk s PHE 22 Cb -0.15 -0.96 0.30 0.00 0.51 0.00 0.00 43.02 42.71 2emk s PHE 22 CO 0.10 0.03 1.71 1.03 0.70 0.00 0.00 175.22 178.79 2emk h SER 23 N 5.27 0.04 -2.18 1.36 0.87 -1.97 -3.40 113.55 113.54 2emk h SER 23 Ca -0.39 0.11 -0.56 0.00 -1.23 0.00 0.00 61.79 59.72 2emk h SER 23 Cb 1.16 0.14 -0.09 0.00 -0.44 0.00 0.00 62.40 63.16 2emk h SER 23 CO 0.46 0.03 -0.64 -1.10 -0.53 0.00 0.00 176.83 175.05 2emk s GLN 24 N -6.10 2.28 0.18 2.24 -0.21 -1.26 -4.91 119.66 111.88 2emk s GLN 24 Ca -0.13 -1.44 -0.07 0.00 0.02 0.00 0.00 55.36 53.74 2emk s GLN 24 Cb 0.18 -2.15 0.08 0.00 1.00 0.00 0.00 33.01 32.12 2emk s GLN 24 CO 0.74 0.34 1.54 0.00 -2.12 0.00 0.00 175.29 175.79 2emk h THR 25 N 1.87 1.28 -0.47 -0.19 1.03 -1.96 -2.98 112.91 111.49 2emk h THR 25 Ca -0.44 -1.54 0.03 0.00 -0.01 0.00 0.00 66.41 64.46 2emk h THR 25 Cb 1.25 1.41 -0.03 0.00 -1.07 0.00 0.00 68.15 69.72 2emk h THR 25 CO 0.61 0.50 0.31 0.71 -0.01 0.00 0.00 175.52 177.64 2emk h THR 26 N 0.65 1.04 0.00 0.00 1.35 -1.96 0.57 112.91 114.56 2emk h THR 26 Ca 0.06 -0.17 -0.02 0.00 -0.55 0.00 0.00 66.41 65.73 2emk h THR 26 Cb 0.92 0.49 -0.00 0.00 -1.73 0.00 0.00 68.15 67.83 2emk h THR 26 CO 0.08 0.09 -0.10 0.45 -0.25 0.00 0.00 175.52 175.80 2emk h HIS 27 N 0.50 0.00 0.09 4.73 3.86 -1.91 -2.19 115.15 120.23 2emk h HIS 27 Ca 0.19 0.00 -0.29 0.00 -1.16 0.00 0.00 60.37 59.11 2emk h HIS 27 Cb 0.13 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.59 2emk h HIS 27 CO -0.00 0.10 -1.52 1.25 0.86 0.00 0.00 177.93 178.62 2emk h LEU 28 N 0.00 0.30 -1.03 2.43 5.85 -0.96 -3.30 115.31 118.59 2emk h LEU 28 Ca -0.00 -0.80 -0.03 0.00 0.84 0.00 0.00 57.88 57.89 2emk h LEU 28 Cb 0.58 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.48 2emk h LEU 28 CO 0.01 1.65 0.34 0.40 -0.34 0.00 0.00 178.44 180.51 2emk h ILE 29 N -0.37 1.23 0.22 4.05 2.04 -1.12 -1.78 117.51 121.78 2emk h ILE 29 Ca -0.34 -0.65 -0.01 0.00 1.00 0.00 0.00 64.86 64.86 2emk h ILE 29 Cb 1.72 0.31 0.00 0.00 -0.74 0.00 0.00 36.82 38.11 2emk h ILE 29 CO 0.00 0.27 -0.11 0.06 0.00 0.00 0.00 178.15 178.38 2emk h GLN 30 N 1.03 -0.29 -0.94 2.37 3.07 -1.55 -2.77 115.11 116.02 2emk h GLN 30 Ca 0.25 0.02 0.00 0.00 0.09 0.00 0.00 58.65 59.01 2emk h GLN 30 Cb 0.11 0.07 -0.05 0.00 0.08 0.00 0.00 27.48 27.69 2emk h GLN 30 CO -0.03 -0.19 0.60 1.25 0.09 0.00 0.00 178.83 180.55 2emk h HIS 31 N -0.30 1.21 -0.07 0.06 6.17 -1.60 -1.68 115.15 118.95 2emk h HIS 31 Ca -0.03 0.02 0.02 0.00 0.71 0.00 0.00 60.37 61.09 2emk h HIS 31 Cb 0.23 -0.40 -0.00 0.00 2.52 0.00 0.00 27.41 29.76 2emk h HIS 31 CO -0.07 0.78 0.62 1.96 0.71 0.00 0.00 177.93 181.92 2emk h GLN 32 N 1.29 0.00 -0.84 5.26 4.20 -1.02 0.24 115.11 124.23 2emk h GLN 32 Ca 0.34 0.00 0.06 0.00 0.06 0.00 0.00 58.65 59.11 2emk h GLN 32 Cb -0.11 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 27.62 2emk h GLN 32 CO -0.07 0.00 0.55 0.00 -0.67 0.00 0.00 178.83 178.64 2emk h ARG 33 N 0.00 0.92 0.00 1.46 3.08 -1.33 0.13 114.38 118.63 2emk h ARG 33 Ca 0.03 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 60.03 2emk h ARG 33 Cb 1.26 -0.21 0.00 0.00 0.08 0.00 0.00 29.97 31.11 2emk h ARG 33 CO -0.00 0.61 0.00 1.33 -1.07 0.00 0.00 179.97 180.84 2emk n VAL 34 N -4.48 1.09 -0.01 2.04 0.24 0.84 -1.72 118.33 116.33 2emk n VAL 34 Ca 0.12 0.40 -0.00 0.00 -2.04 0.00 0.00 64.34 62.82 2emk n VAL 34 Cb 0.19 -1.32 -0.12 0.00 -1.47 0.00 0.00 33.84 31.12 2emk n VAL 34 CO 0.00 0.00 0.00 1.41 -2.14 0.00 0.00 176.83 176.10 2emk n HIS 35 N -1.98 0.54 -3.78 6.34 8.25 0.40 -4.67 115.22 120.32 2emk n HIS 35 Ca 0.01 0.18 -0.29 0.00 -0.26 0.00 0.00 57.72 57.36 2emk n HIS 35 Cb 0.13 -0.94 -0.12 0.00 1.12 0.00 0.00 29.99 30.18 2emk n HIS 35 CO 0.00 0.00 0.00 -0.08 0.64 0.00 0.00 176.34 176.90 2emk s THR 36 N -2.94 2.06 0.00 1.59 -1.32 -0.70 -4.88 115.64 109.45 2emk s THR 36 Ca -0.06 -3.45 0.00 0.00 -1.21 0.00 0.00 61.69 56.97 2emk s THR 36 Cb 0.09 -2.39 0.00 0.00 -1.51 0.00 0.00 72.50 68.69 2emk s THR 36 CO 0.84 -0.99 0.00 0.61 -2.21 0.00 0.00 174.62 172.87 2emk n GLY 37 N 2.66 -1.48 2.68 6.08 0.00 -1.24 -4.83 105.19 109.08 2emk n GLY 37 Ca 0.17 0.59 -0.33 0.00 0.00 0.00 0.00 46.02 46.45 2emk n GLY 37 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2emk n GLU 38 N -0.19 3.48 -3.78 1.61 1.02 -1.26 -5.00 120.64 116.50 2emk n GLU 38 Ca 0.00 -4.66 -0.13 0.00 -0.02 0.00 0.00 57.16 52.35 2emk n GLU 38 Cb 0.00 -2.35 -0.12 0.00 -0.02 0.00 0.00 31.44 28.95 2emk n GLU 38 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 2emk s LYS 39 N -2.85 0.25 -0.69 3.49 2.20 -1.26 -5.10 119.74 115.77 2emk s LYS 39 Ca 0.38 0.35 -0.26 0.00 -0.36 0.00 0.00 55.97 56.08 2emk s LYS 39 Cb 0.14 0.08 -0.03 0.00 -1.51 0.00 0.00 37.83 36.51 2emk s LYS 39 CO 0.00 -0.05 1.89 -1.25 -0.36 0.00 0.00 175.35 175.58 2emk s PRO 40 N 0.32 2.60 -0.39 4.03 0.04 -1.26 -4.81 135.00 135.53 2emk s PRO 40 Ca -0.02 0.35 0.10 0.00 0.04 0.00 0.00 61.00 61.48 2emk s PRO 40 Cb -0.03 -4.58 0.44 0.00 0.04 0.00 0.00 34.50 30.36 2emk s PRO 40 CO -0.01 -2.92 1.05 0.45 0.04 0.00 0.00 177.00 175.61 2emk n SER 41 N 13.11 3.45 0.00 6.66 2.88 -1.26 -5.09 113.62 133.37 2emk n SER 41 Ca 0.26 -3.32 0.00 0.00 -1.33 0.00 0.00 58.87 54.48 2emk n SER 41 Cb 0.51 -0.48 0.00 0.00 -0.75 0.00 0.00 64.21 63.48 2emk n SER 41 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2emk n GLY 42 N -0.33 -1.07 2.60 0.46 0.00 -1.26 -4.91 105.19 100.68 2emk n GLY 42 Ca 0.27 -1.61 -0.22 0.00 0.00 0.00 0.00 46.02 44.46 2emk n GLY 42 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2emk n PRO 43 N -0.87 -2.62 -4.34 1.61 -0.04 -1.26 -4.10 135.00 123.38 2emk n PRO 43 Ca 0.00 -1.30 -0.35 0.00 -0.04 0.00 0.00 63.50 61.82 2emk n PRO 43 Cb 0.00 -1.22 -0.08 0.00 -0.04 0.00 0.00 33.50 32.17 2emk n PRO 43 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2emk n SER 44 N -4.40 -0.55 -0.28 3.54 3.41 -1.26 -4.78 113.62 109.30 2emk n SER 44 Ca 0.11 -1.21 0.04 0.00 -0.26 0.00 0.00 58.87 57.56 2emk n SER 44 Cb 0.44 -1.89 0.13 0.00 -0.26 0.00 0.00 64.21 62.63 2emk n SER 44 CO 0.00 0.00 0.00 -1.28 -0.16 0.00 0.00 175.04 173.60 2emk h SER 45 N -1.47 -0.61 0.00 4.04 0.87 -1.92 -3.54 113.55 110.93 2emk h SER 45 Ca -0.63 0.23 0.00 0.00 -1.23 0.00 0.00 61.79 60.16 2emk h SER 45 Cb 1.39 0.46 0.00 0.00 -0.44 0.00 0.00 62.40 63.81 2emk h SER 45 CO 0.77 -0.25 0.00 0.61 -0.53 0.00 0.00 176.83 177.43