#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2em3 s SER 2 N 0.00 4.01 0.09 1.61 0.01 -1.26 -5.02 113.70 113.14 2em3 s SER 2 Ca 0.00 -1.22 -0.32 0.00 1.31 0.00 0.00 55.95 55.72 2em3 s SER 2 Cb 0.00 -1.31 -0.15 0.00 0.21 0.00 0.00 66.02 64.77 2em3 s SER 2 CO 0.00 -0.21 1.61 0.28 0.41 0.00 0.00 173.24 175.33 2em3 h SER 3 N 7.89 -0.93 0.00 2.44 0.02 -2.15 -3.49 113.55 117.34 2em3 h SER 3 Ca -0.19 0.07 0.00 0.00 -0.84 0.00 0.00 61.79 60.83 2em3 h SER 3 Cb 1.06 0.30 0.00 0.00 0.14 0.00 0.00 62.40 63.91 2em3 h SER 3 CO 0.44 -0.51 0.00 0.61 -1.14 0.00 0.00 176.83 176.22 2em3 n GLY 4 N -1.47 -0.03 3.64 -3.77 0.00 -1.26 -5.10 105.19 97.20 2em3 n GLY 4 Ca -0.11 0.03 -0.09 0.00 0.00 0.00 0.00 46.02 45.85 2em3 n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2em3 s SER 5 N -4.00 -0.49 0.10 1.61 1.04 -1.26 -5.18 113.70 105.52 2em3 s SER 5 Ca 0.00 0.94 0.03 0.00 0.48 0.00 0.00 55.95 57.40 2em3 s SER 5 Cb 0.00 0.97 -0.04 0.00 0.10 0.00 0.00 66.02 67.05 2em3 s SER 5 CO 0.00 -0.16 -0.09 -0.44 0.98 0.00 0.00 173.24 173.53 2em3 s SER 6 N 0.31 1.39 0.00 7.02 0.01 -1.26 -5.01 113.70 116.17 2em3 s SER 6 Ca 0.02 -0.87 0.00 0.00 1.31 0.00 0.00 55.95 56.41 2em3 s SER 6 Cb -0.05 0.03 0.00 0.00 0.21 0.00 0.00 66.02 66.21 2em3 s SER 6 CO -0.06 -0.32 0.00 0.61 0.41 0.00 0.00 173.24 173.88 2em3 n GLY 7 N 0.35 -0.27 3.80 3.44 0.00 -1.26 -4.94 105.19 106.31 2em3 n GLY 7 Ca -0.15 0.17 -0.26 0.00 0.00 0.00 0.00 46.02 45.79 2em3 n GLY 7 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2em3 n THR 8 N 0.00 -3.08 -0.01 2.61 -1.04 -1.26 -4.93 114.28 106.56 2em3 n THR 8 Ca 0.00 -0.19 -0.01 0.00 -2.04 0.00 0.00 64.05 61.81 2em3 n THR 8 Cb 0.00 -3.34 -0.00 0.00 -1.82 0.00 0.00 70.33 65.17 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 -1.67 -0.57 3.80 3.41 0.00 -1.26 -4.99 105.19 103.90 2em3 n GLY 9 Ca -0.09 -0.03 -0.31 0.00 0.00 0.00 0.00 46.02 45.60 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 -1.19 2.98 0.16 1.61 2.02 -1.26 -5.11 118.70 117.92 2em3 s GLU 10 Ca -0.02 -0.64 -0.18 0.00 0.02 0.00 0.00 54.97 54.15 2em3 s GLU 10 Cb 0.00 -2.79 -0.07 0.00 0.10 0.00 0.00 34.13 31.37 2em3 s GLU 10 CO 0.04 0.58 0.63 0.15 0.02 0.00 0.00 175.26 176.67 2em3 s LYS 11 N -2.39 4.15 0.54 1.61 3.01 -1.26 -4.97 119.74 120.43 2em3 s LYS 11 Ca 0.30 0.71 0.33 0.00 -1.01 0.00 0.00 55.97 56.30 2em3 s LYS 11 Cb -0.12 -2.99 1.35 0.00 -1.01 0.00 0.00 37.83 35.06 2em3 s LYS 11 CO 0.23 0.48 1.98 -1.00 0.51 0.00 0.00 175.35 177.55 2em3 h PRO 12 N 3.73 0.00 -4.67 -1.68 0.13 -1.95 -3.41 132.00 124.16 2em3 h PRO 12 Ca -0.48 0.00 -0.69 0.00 -0.87 0.00 0.00 66.00 63.96 2em3 h PRO 12 Cb 1.20 0.00 -0.20 0.00 0.13 0.00 0.00 31.00 32.13 2em3 h PRO 12 CO 0.65 0.04 -0.48 0.71 -0.23 0.00 0.00 178.00 178.69 2em3 s TYR 13 N -3.71 3.23 -0.03 1.56 2.02 -1.26 -5.06 117.35 114.11 2em3 s TYR 13 Ca 0.01 -0.37 -0.04 0.00 -0.37 0.00 0.00 57.07 56.29 2em3 s TYR 13 Cb 0.09 -2.49 0.01 0.00 -0.40 0.00 0.00 41.96 39.18 2em3 s TYR 13 CO 0.55 -0.44 0.10 -2.00 -1.57 0.00 0.00 175.55 172.20 2em3 s GLU 14 N 1.69 0.21 0.65 -0.62 2.12 -1.26 -0.28 118.70 121.21 2em3 s GLU 14 Ca 0.05 -0.01 -0.08 0.00 0.36 0.00 0.00 54.97 55.29 2em3 s GLU 14 Cb -0.18 0.09 0.01 0.00 0.26 0.00 0.00 34.13 34.32 2em3 s GLU 14 CO 0.10 -0.04 1.00 0.00 -0.54 0.00 0.00 175.26 175.78 2em3 n LYS 16 N -2.79 1.64 0.02 0.00 2.85 -1.26 -3.56 118.16 115.05 2em3 n LYS 16 Ca 0.06 -0.02 -0.01 0.00 -1.05 0.00 0.00 58.31 57.29 2em3 n LYS 16 Cb 0.58 -1.35 -0.00 0.00 -0.65 0.00 0.00 35.03 33.60 2em3 n LYS 16 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 177.40 177.63 2em3 h VAL 17 N 0.00 0.00 0.00 0.58 2.07 -1.99 -3.37 116.25 113.54 2em3 h VAL 17 Ca -0.34 -0.14 0.00 0.00 0.82 0.00 0.00 66.70 67.04 2em3 h VAL 17 Cb 1.74 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 31.51 2em3 h VAL 17 CO 0.02 0.00 -0.35 0.00 0.02 0.00 0.00 177.57 177.26 2em3 n SER 19 N -2.33 -2.73 -4.59 0.00 7.64 -1.23 -5.01 113.62 105.37 2em3 n SER 19 Ca 0.04 -0.53 -0.34 0.00 1.01 0.00 0.00 58.87 59.05 2em3 n SER 19 Cb 0.46 -4.53 -0.11 0.00 -1.01 0.00 0.00 64.21 59.02 2em3 n SER 19 CO 0.00 0.00 0.00 -0.75 -3.01 0.00 0.00 175.04 171.28 2em3 s LYS 20 N -5.36 3.55 0.12 1.43 2.20 -1.26 -4.78 119.74 115.63 2em3 s LYS 20 Ca 0.09 -0.44 -0.12 0.00 -0.36 0.00 0.00 55.97 55.15 2em3 s LYS 20 Cb -0.04 -2.95 -0.06 0.00 -1.51 0.00 0.00 37.83 33.26 2em3 s LYS 20 CO 0.64 0.39 0.47 0.00 -0.36 0.00 0.00 175.35 176.49 2em3 s ALA 21 N -0.01 3.65 0.14 3.13 0.00 -1.26 -1.07 121.76 126.34 2em3 s ALA 21 Ca 0.03 -0.27 0.07 0.00 0.00 0.00 0.00 51.96 51.79 2em3 s ALA 21 Cb -0.13 -2.38 -0.04 0.00 0.00 0.00 0.00 23.12 20.57 2em3 s ALA 21 CO 0.02 0.52 -0.16 -0.06 0.00 0.00 0.00 175.76 176.07 2em3 s PHE 22 N -1.46 1.59 -0.02 0.00 0.40 0.61 -4.98 117.98 114.12 2em3 s PHE 22 Ca 0.36 -0.51 0.12 0.00 -0.60 0.00 0.00 56.93 56.30 2em3 s PHE 22 Cb -0.14 -0.82 -0.13 0.00 0.51 0.00 0.00 43.02 42.43 2em3 s PHE 22 CO 0.19 0.22 1.12 0.00 0.70 0.00 0.00 175.22 177.44 2em3 h THR 23 N 3.47 1.12 -2.38 0.64 1.03 -1.99 -3.37 112.91 111.44 2em3 h THR 23 Ca -0.41 -2.73 -0.53 0.00 -0.01 0.00 0.00 66.41 62.72 2em3 h THR 23 Cb 1.20 2.51 -0.14 0.00 -1.07 0.00 0.00 68.15 70.66 2em3 h THR 23 CO 0.50 0.64 -0.61 -1.10 -0.01 0.00 0.00 175.52 174.93 2em3 s GLN 24 N -2.79 1.76 -0.11 0.00 -1.52 -1.26 -4.98 119.66 110.77 2em3 s GLN 24 Ca -0.00 -1.98 -0.21 0.00 -1.95 0.00 0.00 55.36 51.21 2em3 s GLN 24 Cb 0.09 -1.18 -0.18 0.00 -0.22 0.00 0.00 33.01 31.51 2em3 s GLN 24 CO 0.80 -0.12 0.64 0.87 -0.25 0.00 0.00 175.29 177.23 2em3 h LYS 25 N 1.99 -0.03 -0.95 2.91 1.57 -2.00 -3.29 116.57 116.78 2em3 h LYS 25 Ca -0.42 0.00 0.28 0.00 -1.87 0.00 0.00 60.65 58.64 2em3 h LYS 25 Cb 1.24 0.01 -0.17 0.00 0.08 0.00 0.00 32.23 33.39 2em3 h LYS 25 CO 0.74 0.64 0.19 0.00 -0.57 0.00 0.00 179.45 180.46 2em3 h ALA 26 N -0.24 1.38 0.10 3.86 0.00 -1.98 0.28 119.26 122.66 2em3 h ALA 26 Ca -0.00 0.28 0.01 0.00 0.00 0.00 0.00 54.91 55.21 2em3 h ALA 26 Cb 0.69 0.44 -0.02 0.00 0.00 0.00 0.00 17.79 18.90 2em3 h ALA 26 CO 0.00 -0.60 -0.18 0.45 0.00 0.00 0.00 179.25 178.93 2em3 h HIS 27 N 0.08 -0.46 0.43 0.00 3.86 -1.99 0.19 115.15 117.27 2em3 h HIS 27 Ca 0.62 0.01 -0.02 0.00 -1.16 0.00 0.00 60.37 59.82 2em3 h HIS 27 Cb 1.36 0.19 0.00 0.00 1.06 0.00 0.00 27.41 30.02 2em3 h HIS 27 CO -0.33 -0.26 -0.21 1.25 0.86 0.00 0.00 177.93 179.25 2em3 h LEU 28 N -0.34 -0.49 -0.57 2.43 5.85 -0.69 0.30 115.31 121.81 2em3 h LEU 28 Ca 0.03 -0.06 0.11 0.00 0.84 0.00 0.00 57.88 58.80 2em3 h LEU 28 Cb 0.36 0.13 -0.09 0.00 0.37 0.00 0.00 40.66 41.42 2em3 h LEU 28 CO -0.10 -0.23 0.01 0.00 -0.34 0.00 0.00 178.44 177.78 2em3 h ALA 29 N -0.24 0.56 -0.38 1.25 0.00 -0.59 -0.82 119.26 119.05 2em3 h ALA 29 Ca -0.06 0.17 -0.14 0.00 0.00 0.00 0.00 54.91 54.88 2em3 h ALA 29 Cb 0.52 0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 2em3 h ALA 29 CO 0.10 -0.38 -0.31 1.96 0.00 0.00 0.00 179.25 180.61 2em3 h GLN 30 N 0.13 0.83 -0.44 0.00 4.20 -0.55 -3.18 115.11 116.11 2em3 h GLN 30 Ca 0.29 -0.39 0.09 0.00 0.06 0.00 0.00 58.65 58.70 2em3 h GLN 30 Cb 0.46 -0.01 -0.09 0.00 0.30 0.00 0.00 27.48 28.14 2em3 h GLN 30 CO -0.47 1.02 -0.13 1.25 -0.67 0.00 0.00 178.83 179.83 2em3 h HIS 31 N 0.70 -0.29 -0.90 2.96 2.76 0.10 -1.49 115.15 119.00 2em3 h HIS 31 Ca 0.08 0.04 0.22 0.00 -2.20 0.00 0.00 60.37 58.51 2em3 h HIS 31 Cb 0.86 0.20 -0.17 0.00 1.55 0.00 0.00 27.41 29.85 2em3 h HIS 31 CO 0.05 -0.21 -0.07 1.04 -1.30 0.00 0.00 177.93 177.44 2em3 n GLN 32 N -5.34 -0.07 -0.28 5.26 6.02 -0.82 0.47 117.38 122.62 2em3 n GLN 32 Ca 0.03 1.37 0.15 0.00 -0.01 0.00 0.00 57.00 58.54 2em3 n GLN 32 Cb 0.25 -2.12 0.29 0.00 1.02 0.00 0.00 30.24 29.67 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 -5.37 -0.06 -0.04 -1.09 5.02 -0.56 0.12 118.16 116.18 2em3 n LYS 33 Ca 0.19 1.21 -0.08 0.00 -2.02 0.00 0.00 58.31 57.60 2em3 n LYS 33 Cb 0.61 -1.96 -0.02 0.00 -0.02 0.00 0.00 35.03 33.63 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 0.74 -0.50 -0.18 1.35 -0.15 -3.37 112.91 110.80 2em3 h THR 34 Ca 0.53 0.00 -0.11 0.00 -0.55 0.00 0.00 66.41 66.28 2em3 h THR 34 Cb 1.18 0.74 -0.01 0.00 -1.73 0.00 0.00 68.15 68.33 2em3 h THR 34 CO -0.74 0.00 0.46 1.41 -0.25 0.00 0.00 175.52 176.40 2em3 n HIS 35 N -5.23 1.10 -2.59 4.73 8.25 0.33 -4.67 115.22 117.14 2em3 n HIS 35 Ca -0.02 0.01 -0.08 0.00 -0.26 0.00 0.00 57.72 57.37 2em3 n HIS 35 Cb 0.15 -2.45 0.04 0.00 1.12 0.00 0.00 29.99 28.85 2em3 n HIS 35 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 2em3 n THR 36 N 8.39 1.63 -0.25 1.59 -2.24 -1.26 -4.91 114.28 117.23 2em3 n THR 36 Ca 0.48 -3.34 0.05 0.00 -2.27 0.00 0.00 64.05 58.96 2em3 n THR 36 Cb 0.42 0.52 0.18 0.00 -2.10 0.00 0.00 70.33 69.35 2em3 n THR 36 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 2em3 h GLY 37 N 2.52 1.11 0.93 3.38 0.00 -1.96 -1.95 103.07 107.10 2em3 h GLY 37 Ca 0.01 -0.14 0.00 0.00 0.00 0.00 0.00 47.33 47.21 2em3 h GLY 37 CO 0.38 -0.10 -0.04 -2.09 0.00 0.00 0.00 176.54 174.69 2em3 h GLU 38 N 0.43 -0.09 -3.68 4.80 4.57 -2.00 -3.48 114.58 115.14 2em3 h GLU 38 Ca 0.41 0.01 -0.11 0.00 -1.18 0.00 0.00 59.36 58.48 2em3 h GLU 38 Cb 0.61 0.02 0.07 0.00 -0.16 0.00 0.00 28.75 29.30 2em3 h GLU 38 CO -0.40 -0.06 -0.32 1.17 -1.18 0.00 0.00 179.01 178.22 2em3 n LYS 39 N -5.15 -1.74 0.07 1.92 3.00 -0.73 -4.93 118.16 110.60 2em3 n LYS 39 Ca -0.07 0.33 0.09 0.00 -0.00 0.00 0.00 58.31 58.67 2em3 n LYS 39 Cb 0.08 -3.50 0.40 0.00 0.00 0.00 0.00 35.03 32.00 2em3 n LYS 39 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.40 177.05 2em3 n PRO 40 N -2.20 0.10 -0.05 1.64 -0.04 -1.26 -3.54 135.00 129.65 2em3 n PRO 40 Ca -0.07 0.34 -0.01 0.00 -0.04 0.00 0.00 63.50 63.72 2em3 n PRO 40 Cb 0.56 -1.69 -0.00 0.00 -0.04 0.00 0.00 33.50 32.32 2em3 n PRO 40 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 2em3 h SER 41 N 0.00 0.00 -6.35 3.54 0.87 -1.97 -3.49 113.55 106.15 2em3 h SER 41 Ca 0.00 0.00 -0.39 0.00 -1.23 0.00 0.00 61.79 60.17 2em3 h SER 41 Cb 0.30 0.00 0.03 0.00 -0.44 0.00 0.00 62.40 62.29 2em3 h SER 41 CO 0.00 0.49 -0.83 0.61 -0.53 0.00 0.00 176.83 176.57 2em3 n GLY 42 N 1.75 -1.14 0.26 5.77 0.00 -1.23 -4.89 105.19 105.71 2em3 n GLY 42 Ca -0.02 0.50 -0.12 0.00 0.00 0.00 0.00 46.02 46.38 2em3 n GLY 42 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2em3 h PRO 43 N -0.96 0.86 -2.78 1.61 0.13 -1.94 -3.46 132.00 125.45 2em3 h PRO 43 Ca -0.54 -0.45 -0.11 0.00 -0.87 0.00 0.00 66.00 64.03 2em3 h PRO 43 Cb 1.31 0.02 -0.22 0.00 0.13 0.00 0.00 31.00 32.24 2em3 h PRO 43 CO 0.41 1.10 -0.21 0.45 -0.23 0.00 0.00 178.00 179.51 2em3 s SER 44 N -6.85 -0.37 -0.54 1.44 0.15 -1.26 -5.05 113.70 101.23 2em3 s SER 44 Ca -0.10 0.56 -0.02 0.00 0.70 0.00 0.00 55.95 57.09 2em3 s SER 44 Cb 0.11 0.64 0.32 0.00 -1.71 0.00 0.00 66.02 65.38 2em3 s SER 44 CO 0.87 -0.29 2.10 -1.54 1.20 0.00 0.00 173.24 175.59 2em3 n SER 45 N 2.16 7.13 0.00 5.45 3.41 -1.26 -5.23 113.62 125.28 2em3 n SER 45 Ca -0.17 -3.48 0.00 0.00 -0.26 0.00 0.00 58.87 54.97 2em3 n SER 45 Cb 0.57 -1.04 0.00 0.00 -0.26 0.00 0.00 64.21 63.48 2em3 n SER 45 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49