#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 4.02 -0.65 1.61 0.01 -1.26 -5.05 113.70 112.39 2em3 s SER 2 Ca 0.00 -2.39 0.00 0.00 1.31 0.00 0.00 55.95 54.88 2em3 s SER 2 Cb 0.00 -1.19 0.16 0.00 0.21 0.00 0.00 66.02 65.20 2em3 s SER 2 CO 0.00 -0.31 0.45 -0.55 0.41 0.00 0.00 173.24 173.23 2em3 s SER 3 N 0.63 5.03 0.61 2.44 0.15 -1.26 -5.08 113.70 116.22 2em3 s SER 3 Ca 0.15 -3.15 0.06 0.00 0.70 0.00 0.00 55.95 53.70 2em3 s SER 3 Cb -0.22 -1.78 0.09 0.00 -1.71 0.00 0.00 66.02 62.40 2em3 s SER 3 CO -0.07 -0.27 0.84 -0.83 1.20 0.00 0.00 173.24 174.11 2em3 s GLY 4 N 0.02 1.76 0.06 9.45 0.00 -1.26 -5.13 107.32 112.22 2em3 s GLY 4 Ca 0.19 -1.97 0.05 0.00 0.00 0.00 0.00 44.72 42.99 2em3 s GLY 4 CO -0.05 -1.50 -0.13 -0.56 0.00 0.00 0.00 173.10 170.86 2em3 s SER 5 N -4.66 1.51 0.70 1.64 0.01 -1.26 -5.13 113.70 106.50 2em3 s SER 5 Ca 0.63 -0.59 -0.16 0.00 1.31 0.00 0.00 55.95 57.13 2em3 s SER 5 Cb -0.06 -0.04 0.00 0.00 0.21 0.00 0.00 66.02 66.14 2em3 s SER 5 CO 0.40 -0.09 1.10 -0.24 0.41 0.00 0.00 173.24 174.82 2em3 n SER 6 N 1.37 1.08 -4.03 2.44 2.88 -1.26 -4.97 113.62 111.13 2em3 n SER 6 Ca -0.21 0.72 -0.33 0.00 -1.33 0.00 0.00 58.87 57.72 2em3 n SER 6 Cb 0.54 -1.46 -0.09 0.00 -0.75 0.00 0.00 64.21 62.45 2em3 n SER 6 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2em3 s GLY 7 N -1.58 3.01 -0.65 0.46 0.00 -1.26 -5.00 107.32 102.31 2em3 s GLY 7 Ca 0.77 -3.82 -0.04 0.00 0.00 0.00 0.00 44.72 41.63 2em3 s GLY 7 CO 0.47 1.15 0.48 -0.51 0.00 0.00 0.00 173.10 174.68 2em3 s THR 8 N -1.35 3.92 -0.65 0.90 -4.23 -1.26 -4.82 115.64 108.14 2em3 s THR 8 Ca 0.26 -2.92 -0.09 0.00 -1.18 0.00 0.00 61.69 57.76 2em3 s THR 8 Cb -0.07 -3.53 0.01 0.00 1.34 0.00 0.00 72.50 70.25 2em3 s THR 8 CO -0.14 -0.90 0.65 0.61 -0.54 0.00 0.00 174.62 174.31 2em3 n GLY 9 N 3.52 -1.06 3.81 3.99 0.00 -1.26 -4.94 105.19 109.25 2em3 n GLY 9 Ca 0.09 0.78 -0.34 0.00 0.00 0.00 0.00 46.02 46.55 2em3 n GLY 9 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2em3 s GLU 10 N -3.35 4.15 -0.04 1.61 1.03 -1.26 -5.07 118.70 115.77 2em3 s GLU 10 Ca 0.11 1.24 0.06 0.00 0.03 0.00 0.00 54.97 56.41 2em3 s GLU 10 Cb -0.02 -2.26 -0.02 0.00 -0.80 0.00 0.00 34.13 31.03 2em3 s GLU 10 CO 0.81 -0.11 -0.20 0.15 -1.33 0.00 0.00 175.26 174.58 2em3 s LYS 11 N -3.01 2.32 0.00 -4.83 3.01 -1.26 -5.00 119.74 110.96 2em3 s LYS 11 Ca 0.62 -0.81 0.15 0.00 -1.01 0.00 0.00 55.97 54.92 2em3 s LYS 11 Cb -0.13 -2.22 0.72 0.00 -1.01 0.00 0.00 37.83 35.19 2em3 s LYS 11 CO 0.17 0.59 1.42 -0.35 0.51 0.00 0.00 175.35 177.69 2em3 n PRO 12 N 2.38 0.17 -3.89 -1.68 -0.04 -1.26 -4.42 135.00 126.25 2em3 n PRO 12 Ca -0.17 0.17 -0.30 0.00 -0.04 0.00 0.00 63.50 63.16 2em3 n PRO 12 Cb 0.52 -1.50 -0.16 0.00 -0.04 0.00 0.00 33.50 32.32 2em3 n PRO 12 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 2em3 s TYR 13 N -2.66 2.17 0.14 0.54 2.02 -1.26 -5.10 117.35 113.20 2em3 s TYR 13 Ca 0.13 -1.66 0.07 0.00 -0.37 0.00 0.00 57.07 55.23 2em3 s TYR 13 Cb 0.10 -1.56 -0.04 0.00 -0.40 0.00 0.00 41.96 40.06 2em3 s TYR 13 CO 0.23 -0.76 -0.15 -2.00 -1.57 0.00 0.00 175.55 171.30 2em3 s GLU 14 N 1.47 1.12 0.30 -0.62 2.12 -1.26 -1.99 118.70 119.83 2em3 s GLU 14 Ca -0.03 -1.33 0.07 0.00 0.36 0.00 0.00 54.97 54.04 2em3 s GLU 14 Cb -0.18 -1.01 -0.02 0.00 0.26 0.00 0.00 34.13 33.18 2em3 s GLU 14 CO -0.08 0.19 0.34 0.00 -0.54 0.00 0.00 175.26 175.17 2em3 n LYS 16 N -1.42 2.49 0.16 0.00 4.76 -1.26 -3.51 118.16 119.38 2em3 n LYS 16 Ca -0.04 -0.01 -0.13 0.00 -2.87 0.00 0.00 58.31 55.26 2em3 n LYS 16 Cb 0.58 -1.23 -0.08 0.00 -1.84 0.00 0.00 35.03 32.47 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 0.00 0.65 -0.19 -0.18 2.07 -1.97 -3.32 116.25 113.30 2em3 h VAL 17 Ca -0.24 -0.65 -0.02 0.00 0.82 0.00 0.00 66.70 66.61 2em3 h VAL 17 Cb 1.52 0.95 -0.01 0.00 -1.52 0.00 0.00 31.29 32.23 2em3 h VAL 17 CO 0.01 0.12 -0.02 0.00 0.02 0.00 0.00 177.57 177.70 2em3 n SER 19 N -0.86 -1.06 -4.83 0.00 7.64 -1.23 -4.84 113.62 108.44 2em3 n SER 19 Ca 0.21 0.06 -0.33 0.00 1.01 0.00 0.00 58.87 59.83 2em3 n SER 19 Cb 0.84 -1.01 -0.06 0.00 -1.01 0.00 0.00 64.21 62.97 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 -4.90 4.18 0.17 1.43 2.20 -1.26 -4.71 119.74 116.85 2em3 s LYS 20 Ca 0.18 1.06 0.10 0.00 -0.36 0.00 0.00 55.97 56.95 2em3 s LYS 20 Cb -0.11 -2.19 -0.04 0.00 -1.51 0.00 0.00 37.83 33.98 2em3 s LYS 20 CO 0.22 -0.05 -0.18 0.00 -0.36 0.00 0.00 175.35 174.99 2em3 s ALA 21 N -2.22 2.70 0.03 3.13 0.00 -1.26 0.23 121.76 124.37 2em3 s ALA 21 Ca 0.61 -1.51 0.00 0.00 0.00 0.00 0.00 51.96 51.06 2em3 s ALA 21 Cb -0.09 -0.55 -0.03 0.00 0.00 0.00 0.00 23.12 22.46 2em3 s ALA 21 CO 0.16 0.49 -0.03 -0.06 0.00 0.00 0.00 175.76 176.31 2em3 s PHE 22 N -1.53 0.36 -0.10 0.00 0.40 -0.84 -5.01 117.98 111.26 2em3 s PHE 22 Ca 0.21 -0.65 0.15 0.00 -0.60 0.00 0.00 56.93 56.04 2em3 s PHE 22 Cb -0.09 -0.26 -0.09 0.00 0.51 0.00 0.00 43.02 43.10 2em3 s PHE 22 CO 0.12 -0.22 1.08 0.00 0.70 0.00 0.00 175.22 176.89 2em3 h THR 23 N 4.28 0.80 -3.98 0.64 1.03 -1.99 -3.38 112.91 110.30 2em3 h THR 23 Ca -0.33 -2.30 -0.48 0.00 -0.01 0.00 0.00 66.41 63.29 2em3 h THR 23 Cb 1.19 2.30 -0.23 0.00 -1.07 0.00 0.00 68.15 70.34 2em3 h THR 23 CO 0.47 0.46 -0.80 -1.10 -0.01 0.00 0.00 175.52 174.53 2em3 s GLN 24 N -2.88 1.00 0.23 0.00 -0.21 -1.26 -4.93 119.66 111.61 2em3 s GLN 24 Ca -0.00 -0.97 -0.07 0.00 0.02 0.00 0.00 55.36 54.33 2em3 s GLN 24 Cb 0.08 -1.09 0.21 0.00 1.00 0.00 0.00 33.01 33.21 2em3 s GLN 24 CO 0.79 0.26 1.88 1.57 -2.12 0.00 0.00 175.29 177.66 2em3 h LYS 25 N 4.42 1.22 -0.53 2.91 2.10 -1.97 -2.73 116.57 121.98 2em3 h LYS 25 Ca -0.42 -0.11 0.11 0.00 -2.00 0.00 0.00 60.65 58.22 2em3 h LYS 25 Cb 1.18 -0.25 -0.09 0.00 -0.90 0.00 0.00 32.23 32.17 2em3 h LYS 25 CO 0.41 0.85 0.01 0.00 -2.00 0.00 0.00 179.45 178.72 2em3 h ALA 26 N 1.29 0.52 -0.67 0.07 0.00 -1.98 0.21 119.26 118.69 2em3 h ALA 26 Ca 0.32 0.16 0.08 0.00 0.00 0.00 0.00 54.91 55.47 2em3 h ALA 26 Cb -0.05 0.27 -0.06 0.00 0.00 0.00 0.00 17.79 17.95 2em3 h ALA 26 CO -0.06 -0.38 0.33 1.25 0.00 0.00 0.00 179.25 180.39 2em3 h HIS 27 N 0.12 0.60 0.21 0.00 2.76 -1.92 -0.39 115.15 116.54 2em3 h HIS 27 Ca 0.27 0.03 -0.01 0.00 -2.20 0.00 0.00 60.37 58.46 2em3 h HIS 27 Cb 0.42 -0.17 0.00 0.00 1.55 0.00 0.00 27.41 29.21 2em3 h HIS 27 CO -0.32 0.24 -0.10 1.25 -1.30 0.00 0.00 177.93 177.69 2em3 h LEU 28 N 0.59 -0.24 -0.84 0.26 5.85 -1.11 -0.90 115.31 118.92 2em3 h LEU 28 Ca 0.32 -0.24 0.17 0.00 0.84 0.00 0.00 57.88 58.98 2em3 h LEU 28 Cb 0.30 0.06 -0.11 0.00 0.37 0.00 0.00 40.66 41.29 2em3 h LEU 28 CO -0.24 0.13 0.38 0.00 -0.34 0.00 0.00 178.44 178.37 2em3 h ALA 29 N 0.03 1.28 -0.24 1.25 0.00 -0.38 0.18 119.26 121.38 2em3 h ALA 29 Ca -0.03 0.13 -0.16 0.00 0.00 0.00 0.00 54.91 54.84 2em3 h ALA 29 Cb 0.46 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 2em3 h ALA 29 CO 0.05 -0.22 -0.51 0.37 0.00 0.00 0.00 179.25 178.94 2em3 h GLN 30 N 0.48 0.67 0.11 0.00 4.15 -1.04 -3.26 115.11 116.23 2em3 h GLN 30 Ca 0.49 -0.40 -0.01 0.00 0.77 0.00 0.00 58.65 59.50 2em3 h GLN 30 Cb 0.81 0.04 0.00 0.00 0.21 0.00 0.00 27.48 28.54 2em3 h GLN 30 CO -0.44 1.02 -0.05 1.25 -1.93 0.00 0.00 178.83 178.67 2em3 h HIS 31 N 0.52 -0.14 -0.75 3.99 2.76 0.53 -3.00 115.15 119.06 2em3 h HIS 31 Ca 0.02 -0.00 0.27 0.00 -2.20 0.00 0.00 60.37 58.46 2em3 h HIS 31 Cb 1.07 0.05 -0.14 0.00 1.55 0.00 0.00 27.41 29.93 2em3 h HIS 31 CO 0.05 0.09 0.25 1.04 -1.30 0.00 0.00 177.93 178.06 2em3 n GLN 32 N -5.06 -0.05 -0.24 5.26 6.02 0.40 0.80 117.38 124.51 2em3 n GLN 32 Ca -0.08 1.07 -0.03 0.00 -0.01 0.00 0.00 57.00 57.94 2em3 n GLN 32 Cb 0.16 -1.83 0.03 0.00 1.02 0.00 0.00 30.24 29.63 2em3 n GLN 32 CO 0.00 0.00 0.00 0.87 -1.01 0.00 0.00 177.06 176.92 2em3 h LYS 33 N 0.00 -0.10 -1.42 -1.09 6.56 -1.65 0.61 116.57 119.48 2em3 h LYS 33 Ca 0.56 0.01 0.42 0.00 -1.06 0.00 0.00 60.65 60.58 2em3 h LYS 33 Cb 1.38 0.02 -0.07 0.00 -0.57 0.00 0.00 32.23 32.99 2em3 h LYS 33 CO -0.63 -0.07 1.00 0.00 -2.06 0.00 0.00 179.45 177.70 2em3 h THR 34 N -0.10 0.26 -3.85 -0.16 1.03 0.22 -3.39 112.91 106.92 2em3 h THR 34 Ca 0.28 -0.02 -0.47 0.00 -0.01 0.00 0.00 66.41 66.19 2em3 h THR 34 Cb 0.56 0.20 -0.02 0.00 -1.07 0.00 0.00 68.15 67.82 2em3 h THR 34 CO -0.75 0.01 0.19 -1.00 -0.01 0.00 0.00 175.52 173.96 2em3 s HIS 35 N -5.03 3.37 0.22 0.00 3.76 0.21 -5.07 115.29 112.75 2em3 s HIS 35 Ca -0.06 1.38 -0.07 0.00 -0.15 0.00 0.00 55.06 56.17 2em3 s HIS 35 Cb 0.25 -2.66 -0.06 0.00 1.11 0.00 0.00 32.58 31.22 2em3 s HIS 35 CO 0.83 0.03 0.50 0.95 -0.85 0.00 0.00 174.74 176.20 2em3 s THR 36 N -2.03 5.03 -0.34 1.30 -4.23 -1.26 -5.00 115.64 109.11 2em3 s THR 36 Ca 0.57 0.20 0.05 0.00 -1.18 0.00 0.00 61.69 61.32 2em3 s THR 36 Cb -0.10 -3.66 0.19 0.00 1.34 0.00 0.00 72.50 70.27 2em3 s THR 36 CO 0.16 -0.12 1.16 0.61 -0.54 0.00 0.00 174.62 175.89 2em3 n GLY 37 N -0.34 0.12 3.25 3.99 0.00 -1.26 -5.11 105.19 105.84 2em3 n GLY 37 Ca -0.01 -0.06 -0.38 0.00 0.00 0.00 0.00 46.02 45.57 2em3 n GLY 37 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2em3 s GLU 38 N 0.10 2.53 -0.79 1.61 2.12 -1.26 -5.03 118.70 117.99 2em3 s GLU 38 Ca 0.10 -1.36 0.00 0.00 0.36 0.00 0.00 54.97 54.08 2em3 s GLU 38 Cb 0.20 -3.57 0.19 0.00 0.26 0.00 0.00 34.13 31.21 2em3 s GLU 38 CO -0.05 -0.81 0.63 0.15 -0.54 0.00 0.00 175.26 174.64 2em3 s LYS 39 N 1.37 2.89 0.43 4.30 3.01 -1.26 -5.08 119.74 125.41 2em3 s LYS 39 Ca 0.01 -3.17 -0.24 0.00 -1.01 0.00 0.00 55.97 51.56 2em3 s LYS 39 Cb -0.21 -3.75 -0.08 0.00 -1.01 0.00 0.00 37.83 32.78 2em3 s LYS 39 CO 0.02 -1.25 1.18 -1.25 0.51 0.00 0.00 175.35 174.55 2em3 s PRO 40 N -1.16 3.89 -1.58 -1.68 0.04 -1.26 -3.24 135.00 130.01 2em3 s PRO 40 Ca 0.25 1.83 -0.20 0.00 0.04 0.00 0.00 61.00 62.92 2em3 s PRO 40 Cb -0.09 -2.55 0.19 0.00 0.04 0.00 0.00 34.50 32.10 2em3 s PRO 40 CO -0.12 -0.45 0.53 -1.13 0.04 0.00 0.00 177.00 175.87 2em3 n SER 41 N -0.21 -1.91 -2.72 6.66 3.41 -1.26 -4.79 113.62 112.80 2em3 n SER 41 Ca 0.06 -0.94 -0.06 0.00 -0.26 0.00 0.00 58.87 57.66 2em3 n SER 41 Cb 0.47 -1.67 0.06 0.00 -0.26 0.00 0.00 64.21 62.81 2em3 n SER 41 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2em3 n GLY 42 N -1.01 -0.73 0.00 5.00 0.00 -1.20 -4.99 105.19 102.26 2em3 n GLY 42 Ca 0.09 0.53 0.06 0.00 0.00 0.00 0.00 46.02 46.70 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 1.72 0.49 -1.90 1.61 -0.04 -1.26 -4.79 135.00 130.82 2em3 n PRO 43 Ca 0.07 0.00 -0.37 0.00 -0.04 0.00 0.00 63.50 63.16 2em3 n PRO 43 Cb 0.65 -1.40 0.04 0.00 -0.04 0.00 0.00 33.50 32.76 2em3 n PRO 43 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 2em3 s SER 44 N -1.90 5.13 -1.59 3.54 1.04 -1.26 -2.81 113.70 115.85 2em3 s SER 44 Ca 0.18 2.54 -0.14 0.00 0.48 0.00 0.00 55.95 59.02 2em3 s SER 44 Cb 0.08 -2.61 0.11 0.00 0.10 0.00 0.00 66.02 63.70 2em3 s SER 44 CO 0.14 -1.64 0.79 -1.20 0.98 0.00 0.00 173.24 172.31 2em3 n SER 45 N -1.44 -3.24 0.00 7.02 7.64 -1.26 -5.09 113.62 117.25 2em3 n SER 45 Ca 0.13 -0.93 0.00 0.00 1.01 0.00 0.00 58.87 59.08 2em3 n SER 45 Cb 0.48 -3.20 0.00 0.00 -1.01 0.00 0.00 64.21 60.48 2em3 n SER 45 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64