#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 6.98 -0.61 1.61 1.04 -1.26 -4.91 113.70 116.56 2em3 s SER 2 Ca 0.00 -2.80 0.04 0.00 0.48 0.00 0.00 55.95 53.66 2em3 s SER 2 Cb 0.00 -2.40 0.15 0.00 0.10 0.00 0.00 66.02 63.86 2em3 s SER 2 CO 0.00 -0.82 0.37 -0.55 0.98 0.00 0.00 173.24 173.23 2em3 s SER 3 N 3.01 4.61 -0.06 7.02 0.15 -1.26 -4.86 113.70 122.33 2em3 s SER 3 Ca 0.41 -3.34 -0.01 0.00 0.70 0.00 0.00 55.95 53.71 2em3 s SER 3 Cb -0.03 -1.66 -0.03 0.00 -1.71 0.00 0.00 66.02 62.59 2em3 s SER 3 CO -0.02 -0.18 -0.06 0.61 1.20 0.00 0.00 173.24 174.79 2em3 n GLY 4 N 2.68 -0.08 3.65 9.45 0.00 -1.26 -4.99 105.19 114.64 2em3 n GLY 4 Ca 0.11 -0.03 -0.43 0.00 0.00 0.00 0.00 46.02 45.67 2em3 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2em3 s SER 5 N -4.97 6.60 0.06 1.61 0.01 -1.26 -4.98 113.70 110.77 2em3 s SER 5 Ca -0.08 1.84 -0.10 0.00 1.31 0.00 0.00 55.95 58.93 2em3 s SER 5 Cb 0.02 -2.53 0.00 0.00 0.21 0.00 0.00 66.02 63.72 2em3 s SER 5 CO 0.12 -1.03 0.20 -0.55 0.41 0.00 0.00 173.24 172.39 2em3 s SER 6 N 3.42 0.05 0.84 2.44 0.15 -1.26 -5.18 113.70 114.16 2em3 s SER 6 Ca 0.68 -0.45 -0.07 0.00 0.70 0.00 0.00 55.95 56.82 2em3 s SER 6 Cb -0.27 0.31 0.17 0.00 -1.71 0.00 0.00 66.02 64.52 2em3 s SER 6 CO 0.26 -0.62 1.08 0.61 1.20 0.00 0.00 173.24 175.77 2em3 n GLY 7 N 0.42 -0.25 3.02 9.45 0.00 -1.26 -5.09 105.19 111.48 2em3 n GLY 7 Ca -0.18 -1.89 -0.30 0.00 0.00 0.00 0.00 46.02 43.65 2em3 n GLY 7 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2em3 s THR 8 N -3.26 1.62 0.00 2.61 2.01 -1.26 -5.00 115.64 112.36 2em3 s THR 8 Ca 0.66 -0.73 0.00 0.00 0.31 0.00 0.00 61.69 61.93 2em3 s THR 8 Cb -0.03 -1.55 0.00 0.00 0.01 0.00 0.00 72.50 70.93 2em3 s THR 8 CO 0.45 0.41 0.00 0.61 -0.69 0.00 0.00 174.62 175.40 2em3 n GLY 9 N 4.74 0.48 3.72 4.40 0.00 -1.26 -5.04 105.19 112.24 2em3 n GLY 9 Ca -0.17 -1.03 -0.41 0.00 0.00 0.00 0.00 46.02 44.41 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 -1.88 4.50 0.31 1.61 2.02 -1.26 -5.04 118.70 118.96 2em3 s GLU 10 Ca 0.00 1.12 -0.27 0.00 0.02 0.00 0.00 54.97 55.84 2em3 s GLU 10 Cb 0.00 -3.44 -0.10 0.00 0.10 0.00 0.00 34.13 30.70 2em3 s GLU 10 CO 0.00 0.06 0.96 0.15 0.02 0.00 0.00 175.26 176.44 2em3 s LYS 11 N 0.73 4.63 0.46 1.61 1.02 -1.26 -4.95 119.74 121.98 2em3 s LYS 11 Ca 0.43 1.40 0.31 0.00 0.02 0.00 0.00 55.97 58.13 2em3 s LYS 11 Cb -0.19 -2.92 1.28 0.00 -0.52 0.00 0.00 37.83 35.48 2em3 s LYS 11 CO 0.23 0.31 1.91 -1.00 -0.92 0.00 0.00 175.35 175.88 2em3 h PRO 12 N 3.40 0.00 -4.83 -1.68 0.13 -1.96 -3.40 132.00 123.65 2em3 h PRO 12 Ca -0.46 0.00 -0.68 0.00 -0.87 0.00 0.00 66.00 63.99 2em3 h PRO 12 Cb 1.20 0.00 -0.30 0.00 0.13 0.00 0.00 31.00 32.03 2em3 h PRO 12 CO 0.66 0.00 -0.69 0.71 -0.23 0.00 0.00 178.00 178.45 2em3 s TYR 13 N -3.57 3.14 -0.05 1.56 2.02 -1.26 -5.08 117.35 114.10 2em3 s TYR 13 Ca 0.02 -1.40 0.01 0.00 -0.37 0.00 0.00 57.07 55.33 2em3 s TYR 13 Cb 0.09 -2.15 0.02 0.00 -0.40 0.00 0.00 41.96 39.52 2em3 s TYR 13 CO 0.49 -0.69 -0.04 -2.00 -1.57 0.00 0.00 175.55 171.74 2em3 s GLU 14 N 1.38 0.82 0.21 -0.62 -6.30 -1.26 -2.76 118.70 110.16 2em3 s GLU 14 Ca -0.00 -0.08 -0.29 0.00 -2.50 0.00 0.00 54.97 52.09 2em3 s GLU 14 Cb -0.18 -0.88 -0.08 0.00 0.00 0.00 0.00 34.13 33.00 2em3 s GLU 14 CO -0.01 -0.12 0.92 0.00 0.02 0.00 0.00 175.26 176.08 2em3 n LYS 16 N 1.76 3.12 -0.01 0.00 5.02 -1.26 -2.72 118.16 124.06 2em3 n LYS 16 Ca -0.02 -3.07 -0.01 0.00 -2.02 0.00 0.00 58.31 53.19 2em3 n LYS 16 Cb 0.48 -2.14 -0.01 0.00 -0.02 0.00 0.00 35.03 33.34 2em3 n LYS 16 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 2em3 n VAL 17 N -0.53 0.08 -0.63 -0.18 0.31 -1.26 -4.82 118.33 111.29 2em3 n VAL 17 Ca 0.44 -0.03 0.00 0.00 -0.01 0.00 0.00 64.34 64.74 2em3 n VAL 17 Cb 1.40 -0.60 0.00 0.00 -0.91 0.00 0.00 33.84 33.73 2em3 n VAL 17 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2em3 n SER 19 N -0.16 -4.85 -4.85 0.00 2.88 -1.10 -4.98 113.62 100.56 2em3 n SER 19 Ca 0.00 -0.64 -0.36 0.00 -1.33 0.00 0.00 58.87 56.53 2em3 n SER 19 Cb 0.38 -4.64 -0.06 0.00 -0.75 0.00 0.00 64.21 59.14 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 -6.23 3.36 0.07 -1.46 2.20 -1.25 -4.86 119.74 111.57 2em3 s LYS 20 Ca 0.47 -0.19 0.07 0.00 -0.36 0.00 0.00 55.97 55.96 2em3 s LYS 20 Cb -0.22 -3.12 -0.04 0.00 -1.51 0.00 0.00 37.83 32.94 2em3 s LYS 20 CO 0.77 0.76 -0.13 0.00 -0.36 0.00 0.00 175.35 176.39 2em3 s ALA 21 N -1.02 2.82 0.02 3.13 0.00 -1.26 -0.26 121.76 125.18 2em3 s ALA 21 Ca 0.15 -1.21 0.04 0.00 0.00 0.00 0.00 51.96 50.95 2em3 s ALA 21 Cb -0.12 -0.85 -0.02 0.00 0.00 0.00 0.00 23.12 22.13 2em3 s ALA 21 CO 0.05 0.61 -0.13 -0.06 0.00 0.00 0.00 175.76 176.23 2em3 s PHE 22 N -1.08 1.13 -0.54 0.00 0.40 -1.11 -5.02 117.98 111.76 2em3 s PHE 22 Ca 0.18 -0.29 0.26 0.00 -0.60 0.00 0.00 56.93 56.48 2em3 s PHE 22 Cb -0.11 -0.70 0.80 0.00 0.51 0.00 0.00 43.02 43.53 2em3 s PHE 22 CO 0.10 0.01 1.75 0.00 0.70 0.00 0.00 175.22 177.77 2em3 h THR 23 N 4.66 0.00 -3.92 0.64 1.03 -2.01 -3.39 112.91 109.92 2em3 h THR 23 Ca -0.36 -0.54 -0.38 0.00 -0.01 0.00 0.00 66.41 65.13 2em3 h THR 23 Cb 1.18 1.48 -0.21 0.00 -1.07 0.00 0.00 68.15 69.53 2em3 h THR 23 CO 0.46 0.00 -0.77 -1.10 -0.01 0.00 0.00 175.52 174.11 2em3 s GLN 24 N -3.22 0.77 0.02 0.00 -0.21 -1.26 -5.04 119.66 110.72 2em3 s GLN 24 Ca 0.08 -0.94 -0.27 0.00 0.02 0.00 0.00 55.36 54.24 2em3 s GLN 24 Cb 0.10 -0.70 -0.16 0.00 1.00 0.00 0.00 33.01 33.25 2em3 s GLN 24 CO 0.56 0.15 1.26 -0.22 -2.12 0.00 0.00 175.29 174.92 2em3 h LYS 25 N 4.25 -0.74 -1.05 2.91 3.64 -2.00 -3.01 116.57 120.57 2em3 h LYS 25 Ca -0.40 0.05 0.41 0.00 -1.27 0.00 0.00 60.65 59.45 2em3 h LYS 25 Cb 1.19 0.17 -0.17 0.00 -0.41 0.00 0.00 32.23 33.01 2em3 h LYS 25 CO 0.42 -0.43 0.59 0.00 -2.27 0.00 0.00 179.45 177.75 2em3 h ALA 26 N -0.76 2.22 -0.55 5.00 0.00 -1.98 1.07 119.26 124.25 2em3 h ALA 26 Ca -0.08 0.24 -0.03 0.00 0.00 0.00 0.00 54.91 55.05 2em3 h ALA 26 Cb 0.65 0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.71 2em3 h ALA 26 CO 0.13 -0.98 0.24 0.45 0.00 0.00 0.00 179.25 179.09 2em3 h HIS 27 N 0.05 0.82 0.40 0.00 3.86 -1.95 -0.03 115.15 118.29 2em3 h HIS 27 Ca 0.84 -0.05 -0.02 0.00 -1.16 0.00 0.00 60.37 59.97 2em3 h HIS 27 Cb 2.24 -0.25 0.00 0.00 1.06 0.00 0.00 27.41 30.47 2em3 h HIS 27 CO -0.01 0.65 -0.19 1.25 0.86 0.00 0.00 177.93 180.49 2em3 h LEU 28 N 0.74 -0.45 -1.78 2.43 5.85 0.12 -1.26 115.31 120.96 2em3 h LEU 28 Ca 0.19 -0.11 0.09 0.00 0.84 0.00 0.00 57.88 58.88 2em3 h LEU 28 Cb 0.17 0.12 -0.03 0.00 0.37 0.00 0.00 40.66 41.29 2em3 h LEU 28 CO -0.02 -0.12 0.32 0.00 -0.34 0.00 0.00 178.44 178.28 2em3 h ALA 29 N -0.36 2.10 0.00 1.25 0.00 -1.22 0.35 119.26 121.38 2em3 h ALA 29 Ca -0.05 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.84 2em3 h ALA 29 Cb 0.54 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.28 2em3 h ALA 29 CO 0.09 -0.20 0.00 0.37 0.00 0.00 0.00 179.25 179.51 2em3 h GLN 30 N 0.26 0.00 0.00 0.00 -0.00 -0.86 -3.25 115.11 111.26 2em3 h GLN 30 Ca 0.21 0.00 -0.12 0.00 -0.00 0.00 0.00 58.65 58.75 2em3 h GLN 30 Cb 0.51 0.00 -0.02 0.00 0.00 0.00 0.00 27.48 27.97 2em3 h GLN 30 CO -0.04 0.00 -1.15 1.58 0.00 0.00 0.00 178.83 179.22 2em3 n HIS 31 N -2.46 0.49 -0.46 3.99 -0.00 0.69 -4.31 115.22 113.15 2em3 n HIS 31 Ca 0.05 0.21 0.41 0.00 0.46 0.00 0.00 57.72 58.85 2em3 n HIS 31 Cb 0.44 -0.78 0.77 0.00 -0.12 0.00 0.00 29.99 30.30 2em3 n HIS 31 CO 0.00 0.00 0.00 1.96 0.46 0.00 0.00 176.34 178.76 2em3 h GLN 32 N -1.00 0.02 -1.00 1.57 4.20 -0.63 0.40 115.11 118.67 2em3 h GLN 32 Ca -0.18 -0.00 0.19 0.00 0.06 0.00 0.00 58.65 58.72 2em3 h GLN 32 Cb 0.99 -0.00 -0.10 0.00 0.30 0.00 0.00 27.48 28.67 2em3 h GLN 32 CO -0.11 0.01 0.61 1.57 -0.67 0.00 0.00 178.83 180.25 2em3 h LYS 33 N 0.02 0.70 0.00 1.46 2.10 -1.75 0.51 116.57 119.61 2em3 h LYS 33 Ca 0.70 -0.04 -0.00 0.00 -2.00 0.00 0.00 60.65 59.31 2em3 h LYS 33 Cb 2.77 -0.16 -0.00 0.00 -0.90 0.00 0.00 32.23 33.94 2em3 h LYS 33 CO -0.04 0.46 -0.01 0.00 -2.00 0.00 0.00 179.45 177.87 2em3 h THR 34 N 0.72 0.18 -3.58 0.07 1.03 -0.43 -3.39 112.91 107.51 2em3 h THR 34 Ca 0.57 -0.07 -0.61 0.00 -0.01 0.00 0.00 66.41 66.29 2em3 h THR 34 Cb 0.94 1.06 -0.11 0.00 -1.07 0.00 0.00 68.15 68.97 2em3 h THR 34 CO -0.35 0.01 0.48 -1.00 -0.01 0.00 0.00 175.52 174.65 2em3 s HIS 35 N -4.25 3.02 0.69 0.00 3.76 0.18 -5.04 115.29 113.64 2em3 s HIS 35 Ca -0.04 0.46 -0.11 0.00 -0.15 0.00 0.00 55.06 55.22 2em3 s HIS 35 Cb 0.13 -3.68 0.00 0.00 1.11 0.00 0.00 32.58 30.15 2em3 s HIS 35 CO 0.47 -0.92 1.07 0.95 -0.85 0.00 0.00 174.74 175.46 2em3 s THR 36 N 3.41 3.94 0.00 1.30 -4.23 -1.26 -4.97 115.64 113.83 2em3 s THR 36 Ca 0.34 0.63 0.00 0.00 -1.18 0.00 0.00 61.69 61.48 2em3 s THR 36 Cb -0.12 -3.55 0.00 0.00 1.34 0.00 0.00 72.50 70.18 2em3 s THR 36 CO 0.21 -0.82 0.00 0.61 -0.54 0.00 0.00 174.62 174.08 2em3 n GLY 37 N -2.63 2.19 3.52 3.99 0.00 -1.26 -5.08 105.19 105.92 2em3 n GLY 37 Ca 0.07 -0.89 -0.41 0.00 0.00 0.00 0.00 46.02 44.79 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 -2.36 3.41 -0.13 1.61 -6.30 -1.26 -5.05 118.70 108.62 2em3 s GLU 38 Ca 0.00 -0.55 -0.29 0.00 -2.50 0.00 0.00 54.97 51.63 2em3 s GLU 38 Cb 0.00 -3.85 -0.02 0.00 0.00 0.00 0.00 34.13 30.25 2em3 s GLU 38 CO 0.00 -0.61 1.27 0.21 0.02 0.00 0.00 175.26 176.15 2em3 s LYS 39 N 2.01 4.26 0.53 4.30 2.20 -1.26 -5.01 119.74 126.77 2em3 s LYS 39 Ca 0.11 1.70 -0.20 0.00 -0.36 0.00 0.00 55.97 57.22 2em3 s LYS 39 Cb -0.17 -3.73 -0.06 0.00 -1.51 0.00 0.00 37.83 32.36 2em3 s LYS 39 CO 0.12 -0.66 1.13 -1.25 -0.36 0.00 0.00 175.35 174.33 2em3 s PRO 40 N 3.23 3.40 -1.29 4.03 0.04 -1.26 -3.73 135.00 139.42 2em3 s PRO 40 Ca 0.56 1.63 -0.12 0.00 0.04 0.00 0.00 61.00 63.11 2em3 s PRO 40 Cb -0.23 -2.04 0.00 0.00 0.04 0.00 0.00 34.50 32.27 2em3 s PRO 40 CO 0.17 -0.82 0.57 0.43 0.04 0.00 0.00 177.00 177.39 2em3 n SER 41 N -1.22 -2.50 -4.90 6.66 7.64 -1.26 -4.95 113.62 113.10 2em3 n SER 41 Ca 0.11 -1.06 -0.29 0.00 1.01 0.00 0.00 58.87 58.65 2em3 n SER 41 Cb 0.51 -2.94 0.07 0.00 -1.01 0.00 0.00 64.21 60.83 2em3 n SER 41 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2em3 s GLY 42 N -3.95 1.62 0.00 0.23 0.00 -1.24 -4.94 107.32 99.03 2em3 s GLY 42 Ca 0.23 -0.60 0.15 0.00 0.00 0.00 0.00 44.72 44.50 2em3 s GLY 42 CO 0.89 -0.17 1.39 -1.55 0.00 0.00 0.00 173.10 173.67 2em3 n PRO 43 N -3.13 0.25 -1.54 2.90 -0.04 -1.26 -4.85 135.00 127.33 2em3 n PRO 43 Ca 0.07 0.12 -0.44 0.00 -0.04 0.00 0.00 63.50 63.22 2em3 n PRO 43 Cb 0.60 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.55 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 -1.24 0.58 -4.81 3.54 2.88 -1.26 -4.97 113.62 108.35 2em3 n SER 44 Ca 0.08 1.10 -0.33 0.00 -1.33 0.00 0.00 58.87 58.38 2em3 n SER 44 Cb 0.11 -1.23 -0.07 0.00 -0.75 0.00 0.00 64.21 62.27 2em3 n SER 44 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2em3 s SER 45 N -0.71 5.83 0.00 -3.46 1.04 -1.26 -5.17 113.70 109.96 2em3 s SER 45 Ca 0.61 0.19 0.27 0.00 0.48 0.00 0.00 55.95 57.49 2em3 s SER 45 Cb -0.68 -1.71 0.74 0.00 0.10 0.00 0.00 66.02 64.47 2em3 s SER 45 CO 0.59 0.27 1.57 0.61 0.98 0.00 0.00 173.24 177.26