#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2em3 n SER 2 N 0.00 -2.85 -3.96 1.61 2.88 -1.26 -5.00 113.62 105.04 2em3 n SER 2 Ca 0.00 0.57 -0.20 0.00 -1.33 0.00 0.00 58.87 57.91 2em3 n SER 2 Cb 0.00 -1.00 -0.16 0.00 -0.75 0.00 0.00 64.21 62.30 2em3 n SER 2 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2em3 s SER 3 N -1.18 1.13 0.00 -3.46 1.04 -1.26 -5.03 113.70 104.94 2em3 s SER 3 Ca 0.59 -0.17 -0.02 0.00 0.48 0.00 0.00 55.95 56.82 2em3 s SER 3 Cb -0.39 -0.41 -0.10 0.00 0.10 0.00 0.00 66.02 65.23 2em3 s SER 3 CO 0.64 0.02 2.45 0.61 0.98 0.00 0.00 173.24 177.94 2em3 n GLY 4 N 3.59 2.55 3.75 7.32 0.00 -1.26 -4.90 105.19 116.23 2em3 n GLY 4 Ca -0.21 -0.43 -0.41 0.00 0.00 0.00 0.00 46.02 44.97 2em3 n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2em3 s SER 5 N 2.03 7.25 0.08 1.61 0.15 -1.26 -5.04 113.70 118.51 2em3 s SER 5 Ca 0.24 2.19 -0.05 0.00 0.70 0.00 0.00 55.95 59.04 2em3 s SER 5 Cb 0.11 -2.62 -0.02 0.00 -1.71 0.00 0.00 66.02 61.79 2em3 s SER 5 CO 0.00 -0.20 0.09 -0.44 1.20 0.00 0.00 173.24 173.89 2em3 s SER 6 N -0.45 0.29 0.50 5.45 0.01 -1.26 -5.16 113.70 113.08 2em3 s SER 6 Ca 0.47 -0.88 -0.08 0.00 1.31 0.00 0.00 55.95 56.78 2em3 s SER 6 Cb -0.31 0.28 -0.04 0.00 0.21 0.00 0.00 66.02 66.16 2em3 s SER 6 CO 0.38 -0.69 0.85 -0.83 0.41 0.00 0.00 173.24 173.36 2em3 s GLY 7 N -2.91 1.63 -0.86 3.44 0.00 -1.26 -4.89 107.32 102.47 2em3 s GLY 7 Ca 0.09 -0.33 -0.34 0.00 0.00 0.00 0.00 44.72 44.14 2em3 s GLY 7 CO -0.08 -0.13 2.55 2.41 0.00 0.00 0.00 173.10 177.85 2em3 n THR 8 N -2.20 0.00 0.00 0.90 -1.04 -1.26 -4.51 114.28 106.17 2em3 n THR 8 Ca 0.02 -0.03 0.00 0.00 -2.04 0.00 0.00 64.05 62.00 2em3 n THR 8 Cb 0.55 -0.60 0.00 0.00 -1.82 0.00 0.00 70.33 68.46 2em3 n THR 8 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2em3 n GLY 9 N 6.71 0.82 3.32 3.41 0.00 -1.26 -5.11 105.19 113.08 2em3 n GLY 9 Ca 0.62 -2.22 -0.13 0.00 0.00 0.00 0.00 46.02 44.29 2em3 n GLY 9 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2em3 s GLU 10 N -0.91 0.49 0.28 1.61 0.41 -1.26 -5.02 118.70 114.30 2em3 s GLU 10 Ca 0.00 0.59 -0.24 0.00 -0.41 0.00 0.00 54.97 54.90 2em3 s GLU 10 Cb 0.00 0.24 -0.09 0.00 -1.78 0.00 0.00 34.13 32.50 2em3 s GLU 10 CO 0.00 -0.06 0.87 0.15 -0.49 0.00 0.00 175.26 175.73 2em3 s LYS 11 N 0.23 4.50 0.42 1.61 3.01 -1.26 -4.97 119.74 123.29 2em3 s LYS 11 Ca -0.00 1.20 0.21 0.00 -1.01 0.00 0.00 55.97 56.36 2em3 s LYS 11 Cb -0.03 -2.87 0.90 0.00 -1.01 0.00 0.00 37.83 34.82 2em3 s LYS 11 CO 0.00 0.34 1.84 -1.00 0.51 0.00 0.00 175.35 177.04 2em3 h PRO 12 N 3.35 0.00 -5.01 -1.68 0.13 -1.93 -3.42 132.00 123.46 2em3 h PRO 12 Ca -0.47 0.00 -0.65 0.00 -0.87 0.00 0.00 66.00 64.01 2em3 h PRO 12 Cb 1.19 0.00 -0.25 0.00 0.13 0.00 0.00 31.00 32.08 2em3 h PRO 12 CO 0.65 0.29 -0.67 0.71 -0.23 0.00 0.00 178.00 178.75 2em3 s TYR 13 N -3.83 3.02 -0.02 1.56 2.02 -1.26 -5.08 117.35 113.77 2em3 s TYR 13 Ca -0.01 -0.64 -0.03 0.00 -0.37 0.00 0.00 57.07 56.02 2em3 s TYR 13 Cb 0.12 -2.15 0.00 0.00 -0.40 0.00 0.00 41.96 39.53 2em3 s TYR 13 CO 0.66 -0.41 0.08 -2.00 -1.57 0.00 0.00 175.55 172.31 2em3 s GLU 14 N 1.42 0.21 0.53 -0.62 2.12 -1.26 -1.35 118.70 119.75 2em3 s GLU 14 Ca 0.05 -0.10 -0.03 0.00 0.36 0.00 0.00 54.97 55.26 2em3 s GLU 14 Cb -0.15 0.09 0.01 0.00 0.26 0.00 0.00 34.13 34.34 2em3 s GLU 14 CO 0.00 -0.04 0.80 0.00 -0.54 0.00 0.00 175.26 175.49 2em3 n LYS 16 N -2.36 0.33 0.39 0.00 4.76 -1.26 -3.51 118.16 116.51 2em3 n LYS 16 Ca 0.03 0.11 -0.18 0.00 -2.87 0.00 0.00 58.31 55.41 2em3 n LYS 16 Cb 0.58 -1.14 -0.09 0.00 -1.84 0.00 0.00 35.03 32.54 2em3 n LYS 16 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 2em3 h VAL 17 N -0.29 0.23 0.00 -0.18 2.07 -1.99 -3.29 116.25 112.80 2em3 h VAL 17 Ca -0.35 -0.12 -0.26 0.00 0.82 0.00 0.00 66.70 66.78 2em3 h VAL 17 Cb 1.40 0.26 -0.04 0.00 -1.52 0.00 0.00 31.29 31.39 2em3 h VAL 17 CO -0.15 0.01 -1.52 0.00 0.02 0.00 0.00 177.57 175.94 2em3 n SER 19 N -3.10 -3.06 -4.79 0.00 2.88 -1.23 -5.04 113.62 99.29 2em3 n SER 19 Ca -0.12 -0.13 -0.33 0.00 -1.33 0.00 0.00 58.87 56.96 2em3 n SER 19 Cb 1.01 -1.68 -0.07 0.00 -0.75 0.00 0.00 64.21 62.72 2em3 n SER 19 CO 0.00 0.00 0.00 -0.75 -1.23 0.00 0.00 175.04 173.06 2em3 s LYS 20 N -5.23 3.06 -0.10 -1.46 2.20 -1.26 -4.77 119.74 112.18 2em3 s LYS 20 Ca 0.14 -0.51 -0.05 0.00 -0.36 0.00 0.00 55.97 55.19 2em3 s LYS 20 Cb -0.06 -2.85 -0.04 0.00 -1.51 0.00 0.00 37.83 33.37 2em3 s LYS 20 CO 0.17 0.64 0.08 0.00 -0.36 0.00 0.00 175.35 175.87 2em3 s ALA 21 N -1.23 3.61 0.18 3.13 0.00 -1.26 -0.02 121.76 126.18 2em3 s ALA 21 Ca 0.24 -0.72 0.11 0.00 0.00 0.00 0.00 51.96 51.59 2em3 s ALA 21 Cb -0.12 -1.75 -0.04 0.00 0.00 0.00 0.00 23.12 21.21 2em3 s ALA 21 CO 0.15 0.61 -0.23 -0.06 0.00 0.00 0.00 175.76 176.23 2em3 s PHE 22 N -0.97 2.22 0.16 0.00 0.40 -0.46 -5.00 117.98 114.33 2em3 s PHE 22 Ca 0.14 -0.38 0.02 0.00 -0.60 0.00 0.00 56.93 56.12 2em3 s PHE 22 Cb -0.12 -1.11 -0.04 0.00 0.51 0.00 0.00 43.02 42.27 2em3 s PHE 22 CO 0.03 0.46 1.36 0.00 0.70 0.00 0.00 175.22 177.77 2em3 h THR 23 N 3.27 1.51 -3.26 0.64 1.03 -2.00 -3.36 112.91 110.75 2em3 h THR 23 Ca -0.46 -2.71 -0.40 0.00 -0.01 0.00 0.00 66.41 62.84 2em3 h THR 23 Cb 1.20 2.52 -0.14 0.00 -1.07 0.00 0.00 68.15 70.67 2em3 h THR 23 CO 0.48 0.79 -0.65 -1.10 -0.01 0.00 0.00 175.52 175.03 2em3 s GLN 24 N -3.14 1.40 0.02 0.00 -0.21 -1.26 -4.91 119.66 111.56 2em3 s GLN 24 Ca -0.03 -1.72 -0.19 0.00 0.02 0.00 0.00 55.36 53.45 2em3 s GLN 24 Cb 0.10 -0.64 -0.22 0.00 1.00 0.00 0.00 33.01 33.25 2em3 s GLN 24 CO 0.83 -0.12 1.15 1.57 -2.12 0.00 0.00 175.29 176.60 2em3 h LYS 25 N 2.40 0.48 -0.94 2.91 2.10 -1.99 -3.19 116.57 118.33 2em3 h LYS 25 Ca -0.39 -0.47 0.26 0.00 -2.00 0.00 0.00 60.65 58.05 2em3 h LYS 25 Cb 1.23 0.12 -0.14 0.00 -0.90 0.00 0.00 32.23 32.55 2em3 h LYS 25 CO 0.65 1.11 0.44 0.00 -2.00 0.00 0.00 179.45 179.66 2em3 h ALA 26 N 0.37 1.61 0.20 0.07 0.00 -1.98 0.38 119.26 119.92 2em3 h ALA 26 Ca -0.07 0.18 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 2em3 h ALA 26 Cb 1.31 0.17 0.00 0.00 0.00 0.00 0.00 17.79 19.27 2em3 h ALA 26 CO 0.12 -0.43 -0.10 0.45 0.00 0.00 0.00 179.25 179.30 2em3 h HIS 27 N 0.36 -0.25 0.90 0.00 3.86 -1.99 -2.20 115.15 115.83 2em3 h HIS 27 Ca 0.63 -0.01 -0.04 0.00 -1.16 0.00 0.00 60.37 59.79 2em3 h HIS 27 Cb 1.29 0.08 0.00 0.00 1.06 0.00 0.00 27.41 29.85 2em3 h HIS 27 CO -0.11 0.07 -0.49 1.25 0.86 0.00 0.00 177.93 179.51 2em3 h LEU 28 N -0.59 -1.19 -0.81 2.43 5.85 -1.11 0.16 115.31 120.06 2em3 h LEU 28 Ca -0.03 0.05 0.19 0.00 0.84 0.00 0.00 57.88 58.94 2em3 h LEU 28 Cb 0.43 0.33 -0.14 0.00 0.37 0.00 0.00 40.66 41.65 2em3 h LEU 28 CO 0.05 -0.79 0.01 0.00 -0.34 0.00 0.00 178.44 177.37 2em3 h ALA 29 N -1.24 0.86 -0.48 1.25 0.00 -0.42 0.19 119.26 119.43 2em3 h ALA 29 Ca -0.12 0.26 -0.08 0.00 0.00 0.00 0.00 54.91 54.97 2em3 h ALA 29 Cb 1.00 0.45 -0.02 0.00 0.00 0.00 0.00 17.79 19.22 2em3 h ALA 29 CO 0.17 -0.44 -0.01 1.96 0.00 0.00 0.00 179.25 180.93 2em3 h GLN 30 N 0.09 0.85 -0.25 0.00 4.20 -1.20 -3.15 115.11 115.66 2em3 h GLN 30 Ca 0.45 -0.28 0.06 0.00 0.06 0.00 0.00 58.65 58.94 2em3 h GLN 30 Cb 0.82 -0.07 -0.06 0.00 0.30 0.00 0.00 27.48 28.47 2em3 h GLN 30 CO -0.71 0.90 -0.12 1.25 -0.67 0.00 0.00 178.83 179.47 2em3 h HIS 31 N 0.70 -0.30 -0.92 2.96 -0.00 0.23 -2.06 115.15 115.76 2em3 h HIS 31 Ca 0.13 0.03 0.23 0.00 -0.00 0.00 0.00 60.37 60.76 2em3 h HIS 31 Cb 0.52 0.17 -0.17 0.00 -0.00 0.00 0.00 27.41 27.93 2em3 h HIS 31 CO 0.04 -0.19 -0.07 1.04 -0.00 0.00 0.00 177.93 178.75 2em3 n GLN 32 N -5.29 -0.08 -0.31 5.26 6.02 -0.44 0.66 117.38 123.20 2em3 n GLN 32 Ca -0.01 1.40 0.19 0.00 -0.01 0.00 0.00 57.00 58.58 2em3 n GLN 32 Cb 0.21 -2.18 0.36 0.00 1.02 0.00 0.00 30.24 29.65 2em3 n GLN 32 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 2em3 n LYS 33 N -5.41 -0.07 0.08 -1.09 5.02 -0.77 0.61 118.16 116.53 2em3 n LYS 33 Ca 0.19 1.36 -0.12 0.00 -2.02 0.00 0.00 58.31 57.72 2em3 n LYS 33 Cb 0.62 -2.24 -0.06 0.00 -0.02 0.00 0.00 35.03 33.33 2em3 n LYS 33 CO 0.00 0.00 0.00 1.79 -0.52 0.00 0.00 177.40 178.67 2em3 h THR 34 N 0.00 0.76 -0.93 -0.18 1.35 0.08 -2.46 112.91 111.52 2em3 h THR 34 Ca 0.64 0.00 0.27 0.00 -0.55 0.00 0.00 66.41 66.76 2em3 h THR 34 Cb 1.46 0.76 -0.14 0.00 -1.73 0.00 0.00 68.15 68.49 2em3 h THR 34 CO -0.82 0.00 0.36 0.45 -0.25 0.00 0.00 175.52 175.25 2em3 h HIS 35 N -0.21 0.56 -6.93 4.73 3.86 0.11 -3.44 115.15 113.83 2em3 h HIS 35 Ca 0.02 0.05 -0.58 0.00 -1.16 0.00 0.00 60.37 58.69 2em3 h HIS 35 Cb 0.22 -0.10 -0.27 0.00 1.06 0.00 0.00 27.41 28.32 2em3 h HIS 35 CO -0.13 -0.20 -0.87 2.41 0.86 0.00 0.00 177.93 180.00 2em3 n THR 36 N -5.16 -0.72 -4.16 2.45 -1.04 -0.93 -4.92 114.28 99.80 2em3 n THR 36 Ca 0.25 -0.05 -0.17 0.00 -2.04 0.00 0.00 64.05 62.05 2em3 n THR 36 Cb 0.79 -1.25 -0.12 0.00 -1.82 0.00 0.00 70.33 67.93 2em3 n THR 36 CO 0.00 0.00 0.00 -0.83 -0.64 0.00 0.00 175.07 173.60 2em3 s GLY 37 N -3.37 0.69 -0.38 3.41 0.00 -1.26 -5.12 107.32 101.30 2em3 s GLY 37 Ca 0.72 -0.84 -0.03 0.00 0.00 0.00 0.00 44.72 44.57 2em3 s GLY 37 CO 0.97 -0.87 0.14 1.85 0.00 0.00 0.00 173.10 175.19 2em3 s GLU 38 N -1.50 2.14 0.17 2.90 -6.30 -1.26 -5.09 118.70 109.77 2em3 s GLU 38 Ca -0.04 -1.64 0.09 0.00 -2.50 0.00 0.00 54.97 50.88 2em3 s GLU 38 Cb -0.09 -3.47 -0.04 0.00 0.00 0.00 0.00 34.13 30.53 2em3 s GLU 38 CO 0.01 -0.93 -0.18 0.15 0.02 0.00 0.00 175.26 174.33 2em3 s LYS 39 N 1.18 1.29 0.73 4.30 1.02 -1.26 -5.15 119.74 121.85 2em3 s LYS 39 Ca 0.04 -1.43 -0.12 0.00 0.02 0.00 0.00 55.97 54.48 2em3 s LYS 39 Cb -0.22 -1.33 0.18 0.00 -0.52 0.00 0.00 37.83 35.94 2em3 s LYS 39 CO -0.03 0.27 0.64 -0.35 -0.92 0.00 0.00 175.35 174.96 2em3 n PRO 40 N 0.22 -2.28 -3.00 -1.68 -0.04 -1.26 -4.97 135.00 121.99 2em3 n PRO 40 Ca -0.13 -1.03 -0.42 0.00 -0.04 0.00 0.00 63.50 61.88 2em3 n PRO 40 Cb 0.57 -0.97 -0.06 0.00 -0.04 0.00 0.00 33.50 33.01 2em3 n PRO 40 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2em3 s SER 41 N -3.24 6.52 1.22 3.54 0.15 -1.26 -5.05 113.70 115.58 2em3 s SER 41 Ca 0.42 0.30 -0.15 0.00 0.70 0.00 0.00 55.95 57.21 2em3 s SER 41 Cb -0.04 -2.38 0.23 0.00 -1.71 0.00 0.00 66.02 62.12 2em3 s SER 41 CO 0.32 -0.70 0.70 0.61 1.20 0.00 0.00 173.24 175.37 2em3 n GLY 42 N 4.57 -3.07 2.89 9.45 0.00 -1.26 -5.04 105.19 112.74 2em3 n GLY 42 Ca 0.02 -1.41 -0.25 0.00 0.00 0.00 0.00 46.02 44.38 2em3 n GLY 42 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2em3 n PRO 43 N -4.06 -2.78 -3.77 1.61 -0.04 -1.26 -4.26 135.00 120.44 2em3 n PRO 43 Ca 0.10 -1.44 -0.26 0.00 -0.04 0.00 0.00 63.50 61.85 2em3 n PRO 43 Cb 0.40 -1.35 0.05 0.00 -0.04 0.00 0.00 33.50 32.56 2em3 n PRO 43 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2em3 n SER 44 N -4.55 -4.43 -0.19 3.54 2.88 -1.26 -4.87 113.62 104.74 2em3 n SER 44 Ca 0.13 -0.71 -0.00 0.00 -1.33 0.00 0.00 58.87 56.95 2em3 n SER 44 Cb 0.49 -4.29 0.08 0.00 -0.75 0.00 0.00 64.21 59.73 2em3 n SER 44 CO 0.00 0.00 0.00 -1.28 -1.23 0.00 0.00 175.04 172.53 2em3 h SER 45 N -2.21 -0.30 0.00 -3.46 0.87 -1.97 -3.55 113.55 102.93 2em3 h SER 45 Ca -0.58 0.15 0.00 0.00 -1.23 0.00 0.00 61.79 60.12 2em3 h SER 45 Cb 1.37 0.27 0.00 0.00 -0.44 0.00 0.00 62.40 63.60 2em3 h SER 45 CO 0.61 -0.12 0.00 0.61 -0.53 0.00 0.00 176.83 177.41