#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 4.47 0.23 1.61 0.01 -1.26 -5.05 113.70 113.71 2em3 s SER 2 Ca 0.00 1.57 -0.04 0.00 1.31 0.00 0.00 55.95 58.80 2em3 s SER 2 Cb 0.00 -2.32 -0.05 0.00 0.21 0.00 0.00 66.02 63.86 2em3 s SER 2 CO 0.00 -2.02 0.47 -0.44 0.41 0.00 0.00 173.24 171.66 2em3 s SER 3 N -3.62 6.45 0.00 2.44 0.01 -1.26 -4.62 113.70 113.11 2em3 s SER 3 Ca 0.61 0.61 0.00 0.00 1.31 0.00 0.00 55.95 58.48 2em3 s SER 3 Cb -0.16 -2.10 0.00 0.00 0.21 0.00 0.00 66.02 63.97 2em3 s SER 3 CO 0.56 -0.10 0.00 0.61 0.41 0.00 0.00 173.24 174.72 2em3 n GLY 4 N -0.62 4.12 2.69 3.44 0.00 -1.26 -5.10 105.19 108.47 2em3 n GLY 4 Ca -0.03 -0.86 -0.46 0.00 0.00 0.00 0.00 46.02 44.67 2em3 n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2em3 n SER 5 N 0.00 0.27 -4.53 1.61 2.88 -1.26 -4.65 113.62 107.93 2em3 n SER 5 Ca 0.00 0.88 -0.47 0.00 -1.33 0.00 0.00 58.87 57.95 2em3 n SER 5 Cb 0.00 -0.68 -0.05 0.00 -0.75 0.00 0.00 64.21 62.72 2em3 n SER 5 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 2em3 n SER 6 N 1.69 2.74 0.00 -3.46 2.88 -1.26 -4.70 113.62 111.51 2em3 n SER 6 Ca 0.18 0.39 0.00 0.00 -1.33 0.00 0.00 58.87 58.11 2em3 n SER 6 Cb 0.03 -1.39 0.00 0.00 -0.75 0.00 0.00 64.21 62.10 2em3 n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2em3 n GLY 7 N 5.99 3.68 2.90 0.46 0.00 -1.26 -5.13 105.19 111.82 2em3 n GLY 7 Ca 0.35 -1.70 -0.11 0.00 0.00 0.00 0.00 46.02 44.55 2em3 n GLY 7 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2em3 s THR 8 N -2.27 0.04 -0.34 2.61 -1.32 -1.26 -4.98 115.64 108.13 2em3 s THR 8 Ca 0.00 -0.24 0.03 0.00 -1.21 0.00 0.00 61.69 60.27 2em3 s THR 8 Cb 0.00 -0.09 0.09 0.00 -1.51 0.00 0.00 72.50 71.00 2em3 s THR 8 CO 0.00 -0.12 0.04 -0.83 -2.21 0.00 0.00 174.62 171.50 2em3 s GLY 9 N -0.38 1.91 -0.04 6.08 0.00 -1.26 -5.09 107.32 108.54 2em3 s GLY 9 Ca -0.04 -2.43 0.07 0.00 0.00 0.00 0.00 44.72 42.32 2em3 s GLY 9 CO -0.00 0.90 -0.25 -1.83 0.00 0.00 0.00 173.10 171.92 2em3 s GLU 10 N 0.95 2.30 -0.08 2.90 4.04 -1.26 -5.13 118.70 122.42 2em3 s GLU 10 Ca 0.08 -0.91 -0.07 0.00 0.04 0.00 0.00 54.97 54.10 2em3 s GLU 10 Cb -0.19 -2.10 0.02 0.00 0.02 0.00 0.00 34.13 31.88 2em3 s GLU 10 CO -0.07 0.49 0.22 0.15 -1.84 0.00 0.00 175.26 174.21 2em3 s LYS 11 N -0.44 0.25 0.47 -4.83 1.02 -1.26 -5.04 119.74 109.92 2em3 s LYS 11 Ca 0.05 0.33 0.26 0.00 0.02 0.00 0.00 55.97 56.62 2em3 s LYS 11 Cb -0.11 0.10 1.09 0.00 -0.52 0.00 0.00 37.83 38.39 2em3 s LYS 11 CO 0.01 -0.04 1.90 -1.00 -0.92 0.00 0.00 175.35 175.29 2em3 h PRO 12 N 5.95 0.00 -4.82 -1.68 0.13 -1.91 -3.41 132.00 126.26 2em3 h PRO 12 Ca -0.27 0.00 -0.67 0.00 -0.87 0.00 0.00 66.00 64.19 2em3 h PRO 12 Cb 1.19 0.00 -0.25 0.00 0.13 0.00 0.00 31.00 32.07 2em3 h PRO 12 CO 0.37 0.18 -0.61 0.71 -0.23 0.00 0.00 178.00 178.42 2em3 s TYR 13 N -3.77 3.14 0.00 1.56 2.02 -1.26 -5.08 117.35 113.96 2em3 s TYR 13 Ca -0.00 -0.85 0.02 0.00 -0.37 0.00 0.00 57.07 55.87 2em3 s TYR 13 Cb 0.11 -2.27 -0.01 0.00 -0.40 0.00 0.00 41.96 39.39 2em3 s TYR 13 CO 0.61 -0.53 -0.06 -2.00 -1.57 0.00 0.00 175.55 172.00 2em3 s GLU 14 N 1.53 0.47 0.62 -0.62 2.12 -1.26 -1.56 118.70 120.00 2em3 s GLU 14 Ca 0.03 -0.30 -0.07 0.00 0.36 0.00 0.00 54.97 54.99 2em3 s GLU 14 Cb -0.17 -0.42 0.01 0.00 0.26 0.00 0.00 34.13 33.81 2em3 s GLU 14 CO 0.03 0.11 0.95 0.00 -0.54 0.00 0.00 175.26 175.81 2em3 n LYS 16 N -2.69 1.72 0.19 0.00 4.01 -1.26 -3.62 118.16 116.51 2em3 n LYS 16 Ca 0.05 0.02 -0.09 0.00 -0.51 0.00 0.00 58.31 57.78 2em3 n LYS 16 Cb 0.58 -1.26 -0.04 0.00 -0.51 0.00 0.00 35.03 33.79 2em3 n LYS 16 CO 0.00 0.00 0.00 0.28 -1.11 0.00 0.00 177.40 176.57 2em3 h VAL 17 N 0.00 0.03 -0.54 -0.18 2.07 -1.98 -3.33 116.25 112.32 2em3 h VAL 17 Ca -0.28 -0.60 0.00 0.00 0.82 0.00 0.00 66.70 66.64 2em3 h VAL 17 Cb 1.58 0.06 0.00 0.00 -1.52 0.00 0.00 31.29 31.40 2em3 h VAL 17 CO -0.00 0.01 0.00 0.00 0.02 0.00 0.00 177.57 177.60 2em3 n SER 19 N 0.67 -0.98 -4.66 0.00 2.88 -1.24 -4.82 113.62 105.47 2em3 n SER 19 Ca 0.24 0.13 -0.41 0.00 -1.33 0.00 0.00 58.87 57.51 2em3 n SER 19 Cb 0.93 -0.94 -0.05 0.00 -0.75 0.00 0.00 64.21 63.39 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 -4.61 4.25 0.09 -1.46 2.20 -1.26 -4.66 119.74 114.28 2em3 s LYS 20 Ca 0.14 0.77 -0.09 0.00 -0.36 0.00 0.00 55.97 56.43 2em3 s LYS 20 Cb -0.08 -3.58 -0.06 0.00 -1.51 0.00 0.00 37.83 32.61 2em3 s LYS 20 CO 0.17 -0.27 0.39 0.00 -0.36 0.00 0.00 175.35 175.28 2em3 s ALA 21 N 1.99 3.74 0.40 3.13 0.00 -1.26 -1.20 121.76 128.57 2em3 s ALA 21 Ca 0.32 -0.42 0.05 0.00 0.00 0.00 0.00 51.96 51.91 2em3 s ALA 21 Cb -0.16 -2.24 -0.06 0.00 0.00 0.00 0.00 23.12 20.66 2em3 s ALA 21 CO 0.11 0.59 0.04 -0.06 0.00 0.00 0.00 175.76 176.43 2em3 s PHE 22 N -1.45 2.14 -0.17 0.00 0.40 -0.60 -5.00 117.98 113.31 2em3 s PHE 22 Ca 0.34 -0.88 -0.07 0.00 -0.60 0.00 0.00 56.93 55.72 2em3 s PHE 22 Cb -0.13 -1.53 -0.23 0.00 0.51 0.00 0.00 43.02 41.64 2em3 s PHE 22 CO 0.19 0.19 0.19 0.25 0.70 0.00 0.00 175.22 176.74 2em3 n THR 23 N -0.93 1.68 -4.94 0.64 -2.24 -1.26 -4.38 114.28 102.85 2em3 n THR 23 Ca -0.07 -0.54 -0.28 0.00 -2.27 0.00 0.00 64.05 60.89 2em3 n THR 23 Cb 0.67 -1.72 -0.16 0.00 -2.10 0.00 0.00 70.33 67.01 2em3 n THR 23 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 2em3 s GLN 24 N -2.52 2.07 0.24 -0.78 -0.21 -1.26 -4.89 119.66 112.32 2em3 s GLN 24 Ca -0.27 -0.68 -0.10 0.00 0.02 0.00 0.00 55.36 54.34 2em3 s GLN 24 Cb 0.07 -1.74 0.36 0.00 1.00 0.00 0.00 33.01 32.71 2em3 s GLN 24 CO 0.70 0.24 1.60 -0.22 -2.12 0.00 0.00 175.29 175.49 2em3 h LYS 25 N 6.35 0.01 -0.83 2.91 3.64 -1.97 0.19 116.57 126.87 2em3 h LYS 25 Ca -0.31 -0.00 0.31 0.00 -1.27 0.00 0.00 60.65 59.39 2em3 h LYS 25 Cb 1.18 -0.00 -0.15 0.00 -0.41 0.00 0.00 32.23 32.85 2em3 h LYS 25 CO 0.47 0.01 0.32 0.00 -2.27 0.00 0.00 179.45 177.98 2em3 n ALA 26 N -3.27 0.73 -0.05 5.00 0.00 -1.26 0.15 120.51 121.81 2em3 n ALA 26 Ca 0.12 0.86 -0.12 0.00 0.00 0.00 0.00 53.44 54.30 2em3 n ALA 26 Cb 0.43 -0.79 -0.07 0.00 0.00 0.00 0.00 19.45 19.02 2em3 n ALA 26 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2em3 h HIS 27 N 0.00 0.32 0.41 0.00 3.86 -1.05 -2.36 115.15 116.34 2em3 h HIS 27 Ca 0.65 -0.08 -0.02 0.00 -1.16 0.00 0.00 60.37 59.76 2em3 h HIS 27 Cb 1.63 -0.07 -0.00 0.00 1.06 0.00 0.00 27.41 30.02 2em3 h HIS 27 CO -0.13 0.61 -0.25 1.25 0.86 0.00 0.00 177.93 180.27 2em3 h LEU 28 N -0.06 -0.61 -0.67 2.43 5.85 0.14 -0.51 115.31 121.88 2em3 h LEU 28 Ca 0.03 0.04 0.12 0.00 0.84 0.00 0.00 57.88 58.91 2em3 h LEU 28 Cb 0.52 0.18 -0.09 0.00 0.37 0.00 0.00 40.66 41.64 2em3 h LEU 28 CO 0.02 -0.39 0.22 0.00 -0.34 0.00 0.00 178.44 177.94 2em3 h ALA 29 N -0.07 0.88 0.00 1.25 0.00 -0.98 0.43 119.26 120.76 2em3 h ALA 29 Ca -0.05 0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 2em3 h ALA 29 Cb 0.51 0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.42 2em3 h ALA 29 CO 0.05 -0.25 -0.02 1.96 0.00 0.00 0.00 179.25 181.00 2em3 h GLN 30 N 0.36 0.00 0.00 0.00 4.20 -1.16 -3.20 115.11 115.32 2em3 h GLN 30 Ca 0.36 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.07 2em3 h GLN 30 Cb 0.53 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.31 2em3 h GLN 30 CO -0.39 0.02 -0.25 1.25 -0.67 0.00 0.00 178.83 178.79 2em3 h HIS 31 N 0.00 0.00 -1.26 2.96 2.76 0.13 -3.36 115.15 116.39 2em3 h HIS 31 Ca -0.00 0.00 0.42 0.00 -2.20 0.00 0.00 60.37 58.59 2em3 h HIS 31 Cb 0.43 0.00 -0.11 0.00 1.55 0.00 0.00 27.41 29.28 2em3 h HIS 31 CO 0.00 0.00 0.83 1.04 -1.30 0.00 0.00 177.93 178.50 2em3 n GLN 32 N -4.49 -0.03 -0.30 5.26 6.02 0.92 0.55 117.38 125.31 2em3 n GLN 32 Ca -0.04 1.06 0.09 0.00 -0.01 0.00 0.00 57.00 58.10 2em3 n GLN 32 Cb 0.13 -2.13 0.22 0.00 1.02 0.00 0.00 30.24 29.48 2em3 n GLN 32 CO 0.00 0.00 0.00 1.57 -1.01 0.00 0.00 177.06 177.62 2em3 h LYS 33 N 0.00 0.07 -0.82 -1.09 2.10 -1.70 0.65 116.57 115.78 2em3 h LYS 33 Ca 0.76 -0.00 0.02 0.00 -2.00 0.00 0.00 60.65 59.42 2em3 h LYS 33 Cb 2.55 -0.02 -0.04 0.00 -0.90 0.00 0.00 32.23 33.83 2em3 h LYS 33 CO -0.35 0.05 0.55 0.00 -2.00 0.00 0.00 179.45 177.70 2em3 h THR 34 N 0.08 1.19 -1.03 0.07 1.03 -0.13 -3.38 112.91 110.74 2em3 h THR 34 Ca 0.50 -0.37 -0.33 0.00 -0.01 0.00 0.00 66.41 66.20 2em3 h THR 34 Cb 0.94 0.00 -0.04 0.00 -1.07 0.00 0.00 68.15 67.99 2em3 h THR 34 CO -0.78 0.20 0.86 -1.00 -0.01 0.00 0.00 175.52 174.79 2em3 s HIS 35 N -5.91 1.69 0.05 0.00 3.76 0.23 -4.90 115.29 110.21 2em3 s HIS 35 Ca -0.11 0.81 -0.30 0.00 -0.15 0.00 0.00 55.06 55.30 2em3 s HIS 35 Cb 0.18 -3.99 -0.16 0.00 1.11 0.00 0.00 32.58 29.72 2em3 s HIS 35 CO 0.79 -1.89 0.75 0.25 -0.85 0.00 0.00 174.74 173.79 2em3 n THR 36 N 7.79 0.50 -2.22 1.30 -2.24 -1.26 -4.72 114.28 113.44 2em3 n THR 36 Ca 0.36 -0.13 -0.31 0.00 -2.27 0.00 0.00 64.05 61.70 2em3 n THR 36 Cb 0.48 0.00 -0.04 0.00 -2.10 0.00 0.00 70.33 68.67 2em3 n THR 36 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2em3 s GLY 37 N -0.25 0.54 0.89 3.38 0.00 -1.26 -4.96 107.32 105.66 2em3 s GLY 37 Ca 0.69 -1.79 -0.16 0.00 0.00 0.00 0.00 44.72 43.46 2em3 s GLY 37 CO 0.47 3.23 -0.33 -1.84 0.00 0.00 0.00 173.10 174.64 2em3 n GLU 38 N 8.84 -0.02 -4.19 2.90 0.00 -1.26 -2.54 120.64 124.36 2em3 n GLU 38 Ca 0.38 0.01 -0.39 0.00 0.00 0.00 0.00 57.16 57.16 2em3 n GLU 38 Cb 0.48 -1.26 -0.04 0.00 0.00 0.00 0.00 31.44 30.63 2em3 n GLU 38 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.13 178.30 2em3 n LYS 39 N 1.19 -0.62 -2.07 3.44 4.81 -1.26 -4.88 118.16 118.77 2em3 n LYS 39 Ca 0.02 0.08 -0.34 0.00 -0.87 0.00 0.00 58.31 57.21 2em3 n LYS 39 Cb 0.54 -3.05 0.02 0.00 0.02 0.00 0.00 35.03 32.56 2em3 n LYS 39 CO 0.00 0.00 0.00 -1.25 1.17 0.00 0.00 177.40 177.32 2em3 s PRO 40 N -7.42 3.14 -0.12 1.64 0.04 -1.05 -5.01 135.00 126.23 2em3 s PRO 40 Ca 0.25 1.52 -0.08 0.00 0.04 0.00 0.00 61.00 62.74 2em3 s PRO 40 Cb -0.14 -1.98 -0.06 0.00 0.04 0.00 0.00 34.50 32.36 2em3 s PRO 40 CO 0.99 -1.00 0.11 1.03 0.04 0.00 0.00 177.00 178.17 2em3 h SER 41 N 0.74 0.00 0.00 6.66 0.87 -1.89 -3.50 113.55 116.43 2em3 h SER 41 Ca -0.49 -0.20 0.00 0.00 -1.23 0.00 0.00 61.79 59.88 2em3 h SER 41 Cb 1.26 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.22 2em3 h SER 41 CO 0.56 0.68 0.00 0.61 -0.53 0.00 0.00 176.83 178.15 2em3 n GLY 42 N 1.71 1.64 3.68 5.77 0.00 -1.26 -5.08 105.19 111.64 2em3 n GLY 42 Ca -0.05 -0.65 -0.42 0.00 0.00 0.00 0.00 46.02 44.90 2em3 n GLY 42 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2em3 s PRO 43 N -0.06 4.24 -0.45 1.61 0.04 -1.26 -4.98 135.00 134.14 2em3 s PRO 43 Ca 0.00 2.02 -0.20 0.00 0.04 0.00 0.00 61.00 62.86 2em3 s PRO 43 Cb 0.00 -3.71 0.03 0.00 0.04 0.00 0.00 34.50 30.86 2em3 s PRO 43 CO 0.00 -0.68 0.62 0.45 0.04 0.00 0.00 177.00 177.43 2em3 s SER 44 N 2.32 6.29 -0.19 6.66 0.15 -1.26 -5.01 113.70 122.67 2em3 s SER 44 Ca 0.66 -0.45 -0.07 0.00 0.70 0.00 0.00 55.95 56.78 2em3 s SER 44 Cb -0.31 -2.30 0.08 0.00 -1.71 0.00 0.00 66.02 61.78 2em3 s SER 44 CO 0.26 -0.77 0.40 -0.55 1.20 0.00 0.00 173.24 173.78 2em3 s SER 45 N 2.07 -0.25 0.00 5.45 0.15 -1.26 -5.35 113.70 114.51 2em3 s SER 45 Ca 0.20 0.94 0.32 0.00 0.70 0.00 0.00 55.95 58.12 2em3 s SER 45 Cb -0.15 1.20 1.85 0.00 -1.71 0.00 0.00 66.02 67.21 2em3 s SER 45 CO 0.17 -0.23 2.20 0.61 1.20 0.00 0.00 173.24 177.19