#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2em4 n SER 2 N 0.00 -4.02 -4.66 1.61 2.88 -1.26 -5.01 113.62 103.17 2em4 n SER 2 Ca 0.00 -0.53 -0.29 0.00 -1.33 0.00 0.00 58.87 56.72 2em4 n SER 2 Cb 0.00 -4.72 -0.08 0.00 -0.75 0.00 0.00 64.21 58.66 2em4 n SER 2 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2em4 s SER 3 N -3.78 4.80 0.05 -3.46 0.15 -1.26 -4.95 113.70 105.25 2em4 s SER 3 Ca 0.27 -0.30 0.00 0.00 0.70 0.00 0.00 55.95 56.62 2em4 s SER 3 Cb -0.12 -1.05 0.00 0.00 -1.71 0.00 0.00 66.02 63.14 2em4 s SER 3 CO 0.67 0.14 0.00 0.61 1.20 0.00 0.00 173.24 175.86 2em4 n GLY 4 N 0.34 -1.68 3.66 9.45 0.00 -1.26 -5.14 105.19 110.56 2em4 n GLY 4 Ca -0.11 0.61 -0.40 0.00 0.00 0.00 0.00 46.02 46.12 2em4 n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2em4 n SER 5 N -2.65 1.87 -3.84 1.61 3.41 -1.26 -5.00 113.62 107.75 2em4 n SER 5 Ca 0.00 1.02 -0.08 0.00 -0.26 0.00 0.00 58.87 59.55 2em4 n SER 5 Cb 0.00 -1.45 -0.03 0.00 -0.26 0.00 0.00 64.21 62.48 2em4 n SER 5 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2em4 s SER 6 N -0.77 -0.17 0.00 4.04 1.04 -1.26 -5.06 113.70 111.52 2em4 s SER 6 Ca 0.66 -0.75 0.00 0.00 0.48 0.00 0.00 55.95 56.33 2em4 s SER 6 Cb -0.49 0.69 0.00 0.00 0.10 0.00 0.00 66.02 66.32 2em4 s SER 6 CO 0.55 -1.30 0.00 0.61 0.98 0.00 0.00 173.24 174.07 2em4 n GLY 7 N -0.44 0.55 1.89 7.32 0.00 -1.26 -4.97 105.19 108.28 2em4 n GLY 7 Ca -0.03 -0.03 -0.18 0.00 0.00 0.00 0.00 46.02 45.77 2em4 n GLY 7 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2em4 n THR 8 N 0.00 2.67 0.00 2.61 5.66 -1.26 -4.86 114.28 119.10 2em4 n THR 8 Ca 0.00 -1.54 0.00 0.00 -3.05 0.00 0.00 64.05 59.46 2em4 n THR 8 Cb 0.00 -0.86 0.00 0.00 -1.55 0.00 0.00 70.33 67.92 2em4 n THR 8 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2em4 n GLY 9 N -0.42 5.30 4.01 1.09 0.00 -1.26 -4.92 105.19 108.99 2em4 n GLY 9 Ca 0.40 -1.30 -0.29 0.00 0.00 0.00 0.00 46.02 44.83 2em4 n GLY 9 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2em4 n GLN 10 N 0.00 -3.83 -2.96 1.61 6.02 -1.26 -4.93 117.38 112.02 2em4 n GLN 10 Ca 0.00 0.45 -0.32 0.00 -0.01 0.00 0.00 57.00 57.12 2em4 n GLN 10 Cb 0.00 -4.96 -0.06 0.00 1.02 0.00 0.00 30.24 26.25 2em4 n GLN 10 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 2em4 s ARG 11 N -6.64 4.02 0.00 -1.09 1.81 -1.26 -4.95 118.95 110.84 2em4 s ARG 11 Ca 0.37 0.77 0.14 0.00 -1.72 0.00 0.00 55.73 55.29 2em4 s ARG 11 Cb -0.19 -2.34 0.67 0.00 -0.45 0.00 0.00 34.95 32.64 2em4 s ARG 11 CO 0.88 0.05 1.43 -0.35 -0.68 0.00 0.00 175.30 176.63 2em4 n PRO 12 N -0.66 0.10 -3.68 3.54 -0.04 -1.26 -4.32 135.00 128.68 2em4 n PRO 12 Ca 0.04 0.20 -0.29 0.00 -0.04 0.00 0.00 63.50 63.42 2em4 n PRO 12 Cb 0.54 -1.50 -0.15 0.00 -0.04 0.00 0.00 33.50 32.34 2em4 n PRO 12 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 2em4 s TYR 13 N -2.80 1.22 0.09 0.54 2.02 -1.26 -5.05 117.35 112.11 2em4 s TYR 13 Ca 0.10 -1.38 0.09 0.00 -0.37 0.00 0.00 57.07 55.51 2em4 s TYR 13 Cb 0.10 -1.40 -0.03 0.00 -0.40 0.00 0.00 41.96 40.22 2em4 s TYR 13 CO 0.24 -0.83 -0.24 -1.21 -1.57 0.00 0.00 175.55 171.94 2em4 s GLU 14 N 1.79 1.40 0.27 -0.62 2.02 -1.26 -1.02 118.70 121.27 2em4 s GLU 14 Ca 0.08 -1.19 -0.09 0.00 0.02 0.00 0.00 54.97 53.79 2em4 s GLU 14 Cb -0.17 -1.71 -0.07 0.00 0.10 0.00 0.00 34.13 32.28 2em4 s GLU 14 CO -0.27 0.42 0.59 0.00 0.02 0.00 0.00 175.26 176.02 2em4 n ILE 16 N -0.47 1.23 -0.02 0.00 2.08 -1.26 -3.46 119.36 117.45 2em4 n ILE 16 Ca 0.00 -0.54 -0.02 0.00 0.56 0.00 0.00 62.75 62.76 2em4 n ILE 16 Cb 0.53 -1.10 -0.01 0.00 -0.75 0.00 0.00 39.64 38.31 2em4 n ILE 16 CO 0.00 0.00 0.00 -0.33 0.56 0.00 0.00 176.55 176.78 2em4 h GLU 17 N 0.00 -0.04 0.02 0.38 4.39 -2.00 -3.34 114.58 113.99 2em4 h GLU 17 Ca -0.48 0.00 -0.39 0.00 0.34 0.00 0.00 59.36 58.83 2em4 h GLU 17 Cb 1.83 0.01 -0.06 0.00 -0.10 0.00 0.00 28.75 30.43 2em4 h GLU 17 CO -0.05 -0.03 -2.26 0.00 -1.16 0.00 0.00 179.01 175.51 2em4 n GLY 19 N 1.80 0.74 3.29 0.00 0.00 -1.23 -5.10 105.19 104.70 2em4 n GLY 19 Ca -0.44 -0.63 -0.18 0.00 0.00 0.00 0.00 46.02 44.77 2em4 n GLY 19 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2em4 s LYS 20 N -0.46 1.61 -0.06 1.61 2.20 -1.23 -4.92 119.74 118.49 2em4 s LYS 20 Ca 0.00 -1.92 0.02 0.00 -0.36 0.00 0.00 55.97 53.70 2em4 s LYS 20 Cb 0.00 0.18 0.02 0.00 -1.51 0.00 0.00 37.83 36.52 2em4 s LYS 20 CO 0.00 -0.55 -0.10 0.00 -0.36 0.00 0.00 175.35 174.35 2em4 s ALA 21 N -3.62 1.08 0.13 3.13 0.00 -1.26 -1.17 121.76 120.05 2em4 s ALA 21 Ca 0.38 -0.31 0.10 0.00 0.00 0.00 0.00 51.96 52.13 2em4 s ALA 21 Cb 0.04 -0.55 -0.04 0.00 0.00 0.00 0.00 23.12 22.57 2em4 s ALA 21 CO 0.22 0.04 -0.21 -0.06 0.00 0.00 0.00 175.76 175.74 2em4 s PHE 22 N 0.81 2.45 0.08 0.00 0.40 -0.19 -5.02 117.98 116.51 2em4 s PHE 22 Ca -0.12 -0.31 -0.16 0.00 -0.60 0.00 0.00 56.93 55.74 2em4 s PHE 22 Cb -0.15 -1.30 -0.13 0.00 0.51 0.00 0.00 43.02 41.95 2em4 s PHE 22 CO 0.02 0.38 1.34 1.57 0.70 0.00 0.00 175.22 179.23 2em4 h LYS 23 N 3.74 0.63 -6.85 0.44 2.10 -2.01 -3.37 116.57 111.27 2em4 h LYS 23 Ca -0.50 -0.41 -0.69 0.00 -2.00 0.00 0.00 60.65 57.05 2em4 h LYS 23 Cb 1.17 0.05 -0.24 0.00 -0.90 0.00 0.00 32.23 32.32 2em4 h LYS 23 CO 0.44 1.03 -0.87 0.95 -2.00 0.00 0.00 179.45 178.99 2em4 s THR 24 N -4.06 2.23 0.08 0.07 -4.23 -1.26 -4.88 115.64 103.59 2em4 s THR 24 Ca -0.12 -1.63 -0.32 0.00 -1.18 0.00 0.00 61.69 58.44 2em4 s THR 24 Cb 0.07 -1.95 -0.17 0.00 1.34 0.00 0.00 72.50 71.79 2em4 s THR 24 CO 0.83 0.19 1.62 0.50 -0.54 0.00 0.00 174.62 177.23 2em4 h LYS 25 N 4.20 -0.82 -0.98 3.99 3.11 -1.94 -2.89 116.57 121.23 2em4 h LYS 25 Ca -0.49 0.06 0.13 0.00 -2.81 0.00 0.00 60.65 57.53 2em4 h LYS 25 Cb 1.16 0.19 -0.14 0.00 -1.00 0.00 0.00 32.23 32.43 2em4 h LYS 25 CO 0.41 -0.55 -0.46 0.77 -2.81 0.00 0.00 179.45 176.81 2em4 h SER 26 N -0.85 -1.69 -0.41 4.20 0.02 -2.00 0.20 113.55 113.03 2em4 h SER 26 Ca -0.07 0.32 0.08 0.00 -0.84 0.00 0.00 61.79 61.27 2em4 h SER 26 Cb 0.68 0.82 -0.09 0.00 0.14 0.00 0.00 62.40 63.95 2em4 h SER 26 CO 0.10 -0.27 -0.27 -1.28 -1.14 0.00 0.00 176.83 173.96 2em4 h SER 27 N -0.01 -0.91 -0.88 3.07 0.87 -1.97 -0.01 113.55 113.72 2em4 h SER 27 Ca 0.28 0.18 0.11 0.00 -1.23 0.00 0.00 61.79 61.12 2em4 h SER 27 Cb 0.53 0.45 -0.08 0.00 -0.44 0.00 0.00 62.40 62.86 2em4 h SER 27 CO -0.96 -0.29 0.51 0.25 -0.53 0.00 0.00 176.83 175.81 2em4 h LEU 28 N -0.20 0.73 -0.27 2.23 5.85 -0.47 -2.36 115.31 120.83 2em4 h LEU 28 Ca 0.19 0.05 0.06 0.00 0.84 0.00 0.00 57.88 59.02 2em4 h LEU 28 Cb 0.50 -0.09 -0.08 0.00 0.37 0.00 0.00 40.66 41.36 2em4 h LEU 28 CO -0.52 0.40 -0.31 0.40 -0.34 0.00 0.00 178.44 178.07 2em4 h ILE 29 N 0.83 0.28 -0.13 4.05 1.08 0.74 0.43 117.51 124.79 2em4 h ILE 29 Ca 0.43 0.00 0.04 0.00 -0.39 0.00 0.00 64.86 64.94 2em4 h ILE 29 Cb 0.43 0.28 -0.01 0.00 -3.07 0.00 0.00 36.82 34.45 2em4 h ILE 29 CO -0.26 0.00 0.26 0.00 -0.69 0.00 0.00 178.15 177.45 2em4 h HIS 31 N 0.00 0.06 -0.16 0.00 -0.00 -0.24 -2.79 115.15 112.02 2em4 h HIS 31 Ca 0.06 -0.04 -0.06 0.00 -0.00 0.00 0.00 60.37 60.32 2em4 h HIS 31 Cb 0.57 -0.00 -0.00 0.00 -0.00 0.00 0.00 27.41 27.98 2em4 h HIS 31 CO 0.00 1.09 -0.15 0.00 -0.00 0.00 0.00 177.93 178.87 2em4 h ARG 32 N 0.01 0.39 0.00 5.26 3.08 0.22 -2.96 114.38 120.38 2em4 h ARG 32 Ca -0.28 -0.20 -0.12 0.00 0.07 0.00 0.00 59.98 59.45 2em4 h ARG 32 Cb 2.00 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 32.04 2em4 h ARG 32 CO 0.09 0.75 -0.57 0.07 -1.07 0.00 0.00 179.97 179.24 2em4 h ARG 33 N 0.04 0.00 0.00 0.04 0.11 -1.43 -3.18 114.38 109.96 2em4 h ARG 33 Ca 0.03 0.00 -0.04 0.00 0.10 0.00 0.00 59.98 60.07 2em4 h ARG 33 Cb 0.67 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.75 2em4 h ARG 33 CO 0.04 0.57 -0.20 1.03 0.10 0.00 0.00 179.97 181.51 2em4 h SER 34 N 0.00 0.00 0.00 0.08 0.87 -1.47 -3.29 113.55 109.74 2em4 h SER 34 Ca -0.01 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.55 2em4 h SER 34 Cb 1.37 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.33 2em4 h SER 34 CO 0.07 0.20 0.00 1.41 -0.53 0.00 0.00 176.83 177.98 2em4 n HIS 35 N -3.90 0.00 -2.46 2.24 8.25 -1.12 -4.51 115.22 113.72 2em4 n HIS 35 Ca -0.02 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.03 2em4 n HIS 35 Cb 0.29 -0.26 -0.04 0.00 1.12 0.00 0.00 29.99 31.10 2em4 n HIS 35 CO 0.00 0.00 0.00 -0.08 0.64 0.00 0.00 176.34 176.90 2em4 s THR 36 N -2.02 3.77 0.00 1.59 -1.32 -1.24 -4.71 115.64 111.71 2em4 s THR 36 Ca 0.00 1.50 0.00 0.00 -1.21 0.00 0.00 61.69 61.98 2em4 s THR 36 Cb 0.00 -3.96 0.00 0.00 -1.51 0.00 0.00 72.50 67.03 2em4 s THR 36 CO 0.00 0.25 0.00 0.61 -2.21 0.00 0.00 174.62 173.27 2em4 n GLY 37 N 2.13 -1.90 3.03 6.08 0.00 -1.26 -4.98 105.19 108.29 2em4 n GLY 37 Ca 0.03 0.67 -0.33 0.00 0.00 0.00 0.00 46.02 46.39 2em4 n GLY 37 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2em4 s GLU 38 N 0.00 2.72 -0.13 1.61 0.41 -1.26 -5.03 118.70 117.02 2em4 s GLU 38 Ca 0.00 -3.02 -0.30 0.00 -0.41 0.00 0.00 54.97 51.24 2em4 s GLU 38 Cb 0.00 -3.68 0.12 0.00 -1.78 0.00 0.00 34.13 28.79 2em4 s GLU 38 CO 0.00 -1.23 0.99 -1.59 -0.49 0.00 0.00 175.26 172.94 2em4 s LYS 39 N -0.91 0.62 0.14 1.61 0.00 -1.26 -5.15 119.74 114.79 2em4 s LYS 39 Ca 0.23 0.02 -0.31 0.00 0.00 0.00 0.00 55.97 55.91 2em4 s LYS 39 Cb -0.12 0.29 -0.08 0.00 0.00 0.00 0.00 37.83 37.92 2em4 s LYS 39 CO -0.09 -0.22 1.34 -1.25 0.00 0.00 0.00 175.35 175.13 2em4 s PRO 40 N -1.67 4.35 0.52 1.78 0.04 -1.26 -5.01 135.00 133.74 2em4 s PRO 40 Ca 0.01 2.03 -0.17 0.00 0.04 0.00 0.00 61.00 62.91 2em4 s PRO 40 Cb -0.01 -3.24 -0.08 0.00 0.04 0.00 0.00 34.50 31.22 2em4 s PRO 40 CO -0.01 -0.36 0.99 -1.12 0.04 0.00 0.00 177.00 176.54 2em4 s SER 41 N 0.85 6.54 0.00 6.66 0.01 -1.26 -4.95 113.70 121.55 2em4 s SER 41 Ca 0.61 1.61 0.00 0.00 1.31 0.00 0.00 55.95 59.48 2em4 s SER 41 Cb -0.36 -2.51 0.00 0.00 0.21 0.00 0.00 66.02 63.36 2em4 s SER 41 CO 0.33 -0.64 0.00 0.61 0.41 0.00 0.00 173.24 173.94 2em4 n GLY 42 N -1.45 -0.76 3.60 3.44 0.00 -1.26 -5.11 105.19 103.65 2em4 n GLY 42 Ca 0.07 0.20 -0.43 0.00 0.00 0.00 0.00 46.02 45.86 2em4 n GLY 42 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2em4 s PRO 43 N 0.00 3.38 -0.17 1.61 0.04 -1.26 -4.85 135.00 133.75 2em4 s PRO 43 Ca 0.00 1.28 -0.14 0.00 0.04 0.00 0.00 61.00 62.18 2em4 s PRO 43 Cb 0.00 -4.16 -0.07 0.00 0.04 0.00 0.00 34.50 30.31 2em4 s PRO 43 CO 0.00 -1.81 -0.30 0.45 0.04 0.00 0.00 177.00 175.38 2em4 n SER 44 N 9.98 1.76 -4.72 6.66 2.88 -1.26 -5.01 113.62 123.91 2em4 n SER 44 Ca 0.21 0.30 -0.32 0.00 -1.33 0.00 0.00 58.87 57.72 2em4 n SER 44 Cb 0.47 -0.68 0.11 0.00 -0.75 0.00 0.00 64.21 63.36 2em4 n SER 44 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2em4 s SER 45 N -6.33 3.99 0.00 -3.46 0.15 -1.26 -5.38 113.70 101.41 2em4 s SER 45 Ca -0.27 2.15 0.00 0.00 0.70 0.00 0.00 55.95 58.52 2em4 s SER 45 Cb 0.07 -2.56 0.00 0.00 -1.71 0.00 0.00 66.02 61.81 2em4 s SER 45 CO 0.38 -2.39 0.00 0.61 1.20 0.00 0.00 173.24 173.05