#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2em5 n SER 2 N 0.00 7.15 -3.89 1.61 2.88 -1.26 -4.82 113.62 115.29 2em5 n SER 2 Ca 0.00 -3.79 -0.09 0.00 -1.33 0.00 0.00 58.87 53.66 2em5 n SER 2 Cb 0.00 -0.88 -0.08 0.00 -0.75 0.00 0.00 64.21 62.50 2em5 n SER 2 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2em5 s SER 3 N -2.04 0.15 0.00 -3.46 0.01 -1.26 -5.04 113.70 102.06 2em5 s SER 3 Ca 0.60 -0.64 0.00 0.00 1.31 0.00 0.00 55.95 57.22 2em5 s SER 3 Cb 0.48 0.31 0.00 0.00 0.21 0.00 0.00 66.02 67.02 2em5 s SER 3 CO -0.08 -0.68 0.00 0.61 0.41 0.00 0.00 173.24 173.51 2em5 n GLY 4 N 0.12 0.13 2.97 3.44 0.00 -1.26 -5.06 105.19 105.53 2em5 n GLY 4 Ca -0.16 0.03 -0.06 0.00 0.00 0.00 0.00 46.02 45.84 2em5 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2em5 s SER 5 N -3.58 -0.13 -0.62 1.61 0.01 -1.26 -5.09 113.70 104.65 2em5 s SER 5 Ca 0.00 0.14 0.04 0.00 1.31 0.00 0.00 55.95 57.44 2em5 s SER 5 Cb 0.00 1.36 0.15 0.00 0.21 0.00 0.00 66.02 67.74 2em5 s SER 5 CO 0.00 -0.31 0.39 -0.55 0.41 0.00 0.00 173.24 173.18 2em5 s SER 6 N 2.62 4.48 1.22 2.44 0.15 -1.26 -5.10 113.70 118.25 2em5 s SER 6 Ca 0.13 -3.47 -0.20 0.00 0.70 0.00 0.00 55.95 53.11 2em5 s SER 6 Cb -0.14 -1.57 0.30 0.00 -1.71 0.00 0.00 66.02 62.90 2em5 s SER 6 CO -0.22 -0.15 1.14 -0.83 1.20 0.00 0.00 173.24 174.38 2em5 s GLY 7 N -0.90 1.62 -0.15 9.45 0.00 -1.26 -5.05 107.32 111.03 2em5 s GLY 7 Ca 0.22 -1.11 -0.01 0.00 0.00 0.00 0.00 44.72 43.82 2em5 s GLY 7 CO -0.10 -0.17 -0.10 -1.35 0.00 0.00 0.00 173.10 171.38 2em5 s SER 8 N -4.11 4.19 0.14 1.64 1.04 -1.26 -5.12 113.70 110.23 2em5 s SER 8 Ca 0.73 -0.30 0.10 0.00 0.48 0.00 0.00 55.95 56.96 2em5 s SER 8 Cb -0.07 -1.66 -0.04 0.00 0.10 0.00 0.00 66.02 64.35 2em5 s SER 8 CO 0.55 0.14 -0.22 -0.44 0.98 0.00 0.00 173.24 174.25 2em5 s SER 9 N 0.53 3.59 -0.17 7.02 0.01 -1.26 -5.02 113.70 118.40 2em5 s SER 9 Ca -0.07 -0.69 -0.03 0.00 1.31 0.00 0.00 55.95 56.47 2em5 s SER 9 Cb -0.15 -0.37 -0.02 0.00 0.21 0.00 0.00 66.02 65.69 2em5 s SER 9 CO 0.03 0.17 2.67 0.35 0.41 0.00 0.00 173.24 176.87 2em5 n THR 10 N 0.73 2.76 -3.99 1.44 -2.24 -1.26 -4.89 114.28 106.83 2em5 n THR 10 Ca -0.16 -1.60 -0.36 0.00 -2.27 0.00 0.00 64.05 59.66 2em5 n THR 10 Cb 0.53 -1.64 -0.08 0.00 -2.10 0.00 0.00 70.33 67.05 2em5 n THR 10 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 2em5 s LYS 11 N -0.48 3.49 -0.06 -0.78 2.47 -1.26 -5.04 119.74 118.09 2em5 s LYS 11 Ca 0.40 -0.23 -0.01 0.00 -1.56 0.00 0.00 55.97 54.57 2em5 s LYS 11 Cb 0.23 -3.13 -0.00 0.00 -1.46 0.00 0.00 37.83 33.47 2em5 s LYS 11 CO -0.05 0.64 -0.01 1.03 0.16 0.00 0.00 175.35 177.12 2em5 h SER 12 N 5.44 0.00 -0.45 1.43 0.87 -1.90 -3.41 113.55 115.53 2em5 h SER 12 Ca -0.50 0.00 -0.27 0.00 -1.23 0.00 0.00 61.79 59.79 2em5 h SER 12 Cb 1.20 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 63.13 2em5 h SER 12 CO 0.61 0.32 0.86 -1.00 -0.53 0.00 0.00 176.83 177.09 2em5 s HIS 13 N -1.39 1.81 -0.15 2.24 3.76 -1.24 -4.91 115.29 115.42 2em5 s HIS 13 Ca -0.01 0.78 -0.04 0.00 -0.15 0.00 0.00 55.06 55.64 2em5 s HIS 13 Cb 0.00 -3.90 -0.03 0.00 1.11 0.00 0.00 32.58 29.76 2em5 s HIS 13 CO 0.02 -1.22 -0.01 -1.14 -0.85 0.00 0.00 174.74 171.54 2em5 s GLN 14 N 6.88 3.67 0.48 1.40 0.74 -1.26 -1.14 119.66 130.43 2em5 s GLN 14 Ca 0.71 -0.46 -0.20 0.00 0.05 0.00 0.00 55.36 55.46 2em5 s GLN 14 Cb -0.03 -2.98 -0.09 0.00 1.10 0.00 0.00 33.01 31.02 2em5 s GLN 14 CO 0.12 0.31 1.02 0.00 -0.55 0.00 0.00 175.29 176.19 2em5 n HIS 16 N -0.90 0.00 0.01 0.00 -0.00 -1.26 -2.60 115.22 110.47 2em5 n HIS 16 Ca 0.09 0.00 -0.19 0.00 0.46 0.00 0.00 57.72 58.08 2em5 n HIS 16 Cb 0.53 -0.22 -0.09 0.00 -0.12 0.00 0.00 29.99 30.09 2em5 n HIS 16 CO 0.00 0.00 0.00 0.93 0.46 0.00 0.00 176.34 177.73 2em5 h GLU 17 N 0.00 0.74 0.00 1.57 4.39 -1.99 -3.41 114.58 115.88 2em5 h GLU 17 Ca 0.00 -0.70 0.00 0.00 0.34 0.00 0.00 59.36 59.00 2em5 h GLU 17 Cb 0.59 0.18 0.00 0.00 -0.10 0.00 0.00 28.75 29.42 2em5 h GLU 17 CO 0.00 1.29 -0.88 0.00 -1.16 0.00 0.00 179.01 178.26 2em5 n GLY 19 N 3.15 1.97 3.89 0.00 0.00 -1.07 -4.58 105.19 108.56 2em5 n GLY 19 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 2em5 n GLY 19 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2em5 s ARG 20 N -0.65 2.65 -0.04 1.61 0.52 -1.25 -4.73 118.95 117.06 2em5 s ARG 20 Ca 0.00 0.28 0.02 0.00 -0.52 0.00 0.00 55.73 55.51 2em5 s ARG 20 Cb 0.00 -2.05 0.02 0.00 0.52 0.00 0.00 34.95 33.43 2em5 s ARG 20 CO 0.00 -1.11 -0.07 0.20 0.02 0.00 0.00 175.30 174.34 2em5 s GLY 21 N -4.40 0.53 0.15 -3.53 0.00 -1.26 -0.57 107.32 98.23 2em5 s GLY 21 Ca 0.58 -0.18 0.08 0.00 0.00 0.00 0.00 44.72 45.20 2em5 s GLY 21 CO 0.50 0.25 -0.17 -1.36 0.00 0.00 0.00 173.10 172.32 2em5 s PHE 22 N 0.69 1.69 -0.04 1.90 0.40 -0.29 -5.01 117.98 117.32 2em5 s PHE 22 Ca -0.11 -0.49 -0.14 0.00 -0.60 0.00 0.00 56.93 55.60 2em5 s PHE 22 Cb -0.13 -0.86 -0.31 0.00 0.51 0.00 0.00 43.02 42.22 2em5 s PHE 22 CO 0.01 0.27 0.74 1.15 0.70 0.00 0.00 175.22 178.08 2em5 h THR 23 N 3.39 1.06 -3.07 0.64 2.02 -2.00 -3.28 112.91 111.67 2em5 h THR 23 Ca -0.42 -2.54 -0.62 0.00 0.77 0.00 0.00 66.41 63.60 2em5 h THR 23 Cb 1.20 2.85 -0.09 0.00 -1.74 0.00 0.00 68.15 70.36 2em5 h THR 23 CO 0.50 0.82 -0.61 -0.76 0.37 0.00 0.00 175.52 175.83 2em5 s LEU 24 N -7.44 3.65 0.03 2.58 1.43 -1.26 -4.83 118.68 112.85 2em5 s LEU 24 Ca -0.15 -0.13 -0.19 0.00 -1.03 0.00 0.00 54.13 52.63 2em5 s LEU 24 Cb 0.05 -2.33 -0.10 0.00 0.03 0.00 0.00 46.19 43.84 2em5 s LEU 24 CO 0.86 0.14 1.29 0.11 0.23 0.00 0.00 176.35 178.98 2em5 h LYS 25 N 3.03 -0.64 -0.70 1.70 1.79 -1.97 -2.76 116.57 117.01 2em5 h LYS 25 Ca -0.47 0.04 0.26 0.00 -2.18 0.00 0.00 60.65 58.30 2em5 h LYS 25 Cb 1.18 0.14 -0.13 0.00 -1.58 0.00 0.00 32.23 31.84 2em5 h LYS 25 CO 0.63 -0.42 0.26 0.43 -1.08 0.00 0.00 179.45 179.26 2em5 n SER 26 N -3.91 0.14 0.38 0.86 7.64 -1.26 0.61 113.62 118.08 2em5 n SER 26 Ca -0.08 1.17 -0.18 0.00 1.01 0.00 0.00 58.87 60.79 2em5 n SER 26 Cb 0.27 -0.52 -0.09 0.00 -1.01 0.00 0.00 64.21 62.85 2em5 n SER 26 CO 0.00 0.00 0.00 0.45 -3.01 0.00 0.00 175.04 172.48 2em5 h HIS 27 N 0.00 -1.27 0.10 1.43 3.86 -1.91 0.14 115.15 117.50 2em5 h HIS 27 Ca 0.54 -0.01 -0.01 0.00 -1.16 0.00 0.00 60.37 59.74 2em5 h HIS 27 Cb 1.35 0.46 0.00 0.00 1.06 0.00 0.00 27.41 30.29 2em5 h HIS 27 CO -0.12 -0.68 -0.05 1.25 0.86 0.00 0.00 177.93 179.19 2em5 h LEU 28 N -1.10 -0.12 -1.09 2.43 5.85 0.26 -0.48 115.31 121.06 2em5 h LEU 28 Ca -0.09 -0.28 0.23 0.00 0.84 0.00 0.00 57.88 58.58 2em5 h LEU 28 Cb 0.90 0.03 -0.11 0.00 0.37 0.00 0.00 40.66 41.85 2em5 h LEU 28 CO 0.06 0.23 0.61 -1.13 -0.34 0.00 0.00 178.44 177.87 2em5 h ASN 29 N -0.47 0.66 1.69 1.25 -1.24 -0.25 0.63 115.58 117.85 2em5 h ASN 29 Ca -0.01 0.11 -0.04 0.00 0.71 0.00 0.00 56.30 57.07 2em5 h ASN 29 Cb 0.39 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.44 2em5 h ASN 29 CO 0.02 0.15 -0.31 -0.61 -1.29 0.00 0.00 177.43 175.40 2em5 h GLN 30 N 0.60 0.00 0.02 6.67 4.15 -0.60 -3.31 115.11 122.63 2em5 h GLN 30 Ca 0.61 0.00 -0.16 0.00 0.77 0.00 0.00 58.65 59.87 2em5 h GLN 30 Cb 1.18 0.00 0.01 0.00 0.21 0.00 0.00 27.48 28.88 2em5 h GLN 30 CO -0.41 0.18 -0.64 1.25 -1.93 0.00 0.00 178.83 177.28 2em5 h HIS 31 N 0.00 0.61 0.00 3.99 2.76 0.18 -3.17 115.15 119.52 2em5 h HIS 31 Ca -0.01 -0.35 0.00 0.00 -2.20 0.00 0.00 60.37 57.82 2em5 h HIS 31 Cb 1.15 -0.06 0.00 0.00 1.55 0.00 0.00 27.41 30.05 2em5 h HIS 31 CO 0.00 1.18 0.49 1.96 -1.30 0.00 0.00 177.93 180.25 2em5 h GLN 32 N -0.13 0.00 -0.40 5.26 4.20 -0.79 0.27 115.11 123.52 2em5 h GLN 32 Ca -0.09 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.62 2em5 h GLN 32 Cb 1.37 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 29.13 2em5 h GLN 32 CO 0.13 0.00 0.21 0.00 -0.67 0.00 0.00 178.83 178.50 2em5 h ARG 33 N 0.00 0.55 0.00 1.46 3.08 -1.71 -0.58 114.38 117.18 2em5 h ARG 33 Ca 0.00 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.00 2em5 h ARG 33 Cb 0.97 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.91 2em5 h ARG 33 CO 0.00 0.41 0.00 0.44 -1.07 0.00 0.00 179.97 179.75 2em5 n ILE 34 N -4.42 1.58 -1.03 2.04 -5.35 0.93 -0.89 119.36 112.22 2em5 n ILE 34 Ca 0.03 0.39 0.09 0.00 -0.27 0.00 0.00 62.75 62.99 2em5 n ILE 34 Cb 0.10 -1.31 0.21 0.00 -1.74 0.00 0.00 39.64 36.90 2em5 n ILE 34 CO 0.00 0.00 0.00 1.41 -1.76 0.00 0.00 176.55 176.20 2em5 n HIS 35 N -1.47 0.54 0.00 4.28 8.25 -0.23 -4.09 115.22 122.50 2em5 n HIS 35 Ca 0.01 -0.93 0.00 0.00 -0.26 0.00 0.00 57.72 56.54 2em5 n HIS 35 Cb 0.05 -0.24 0.00 0.00 1.12 0.00 0.00 29.99 30.92 2em5 n HIS 35 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 2em5 n THR 36 N -0.91 0.00 0.00 1.59 -2.24 -0.07 -4.96 114.28 107.69 2em5 n THR 36 Ca 0.19 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.97 2em5 n THR 36 Cb 0.78 -0.57 0.00 0.00 -2.10 0.00 0.00 70.33 68.45 2em5 n THR 36 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2em5 n GLY 37 N 2.81 0.00 3.64 3.38 0.00 -0.97 -5.01 105.19 109.03 2em5 n GLY 37 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 2em5 n GLY 37 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2em5 s GLU 38 N -1.80 3.86 -0.75 1.61 -6.30 -1.24 -4.94 118.70 109.14 2em5 s GLU 38 Ca 0.00 2.00 0.01 0.00 -2.50 0.00 0.00 54.97 54.48 2em5 s GLU 38 Cb 0.00 -4.09 0.18 0.00 0.00 0.00 0.00 34.13 30.22 2em5 s GLU 38 CO 0.00 -1.23 0.57 0.21 0.02 0.00 0.00 175.26 174.83 2em5 s LYS 39 N 4.70 2.75 0.01 4.30 2.20 -1.26 -4.54 119.74 127.91 2em5 s LYS 39 Ca 0.79 -3.11 -0.23 0.00 -0.36 0.00 0.00 55.97 53.06 2em5 s LYS 39 Cb -0.31 -3.68 -0.17 0.00 -1.51 0.00 0.00 37.83 32.16 2em5 s LYS 39 CO 0.32 -1.24 1.31 -1.00 -0.36 0.00 0.00 175.35 174.38 2em5 h PRO 40 N 6.03 0.18 -7.04 4.03 0.13 -1.92 -3.47 132.00 129.95 2em5 h PRO 40 Ca 0.10 -0.09 -0.60 0.00 -0.87 0.00 0.00 66.00 64.53 2em5 h PRO 40 Cb 0.83 0.00 -0.25 0.00 0.13 0.00 0.00 31.00 31.71 2em5 h PRO 40 CO 0.77 0.61 -0.93 0.43 -0.23 0.00 0.00 178.00 178.65 2em5 n SER 41 N -4.71 -0.35 0.00 1.44 7.64 -1.26 -4.80 113.62 111.58 2em5 n SER 41 Ca -0.07 -1.22 0.00 0.00 1.01 0.00 0.00 58.87 58.59 2em5 n SER 41 Cb 0.30 -1.84 0.00 0.00 -1.01 0.00 0.00 64.21 61.66 2em5 n SER 41 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2em5 n GLY 42 N -1.97 0.11 0.00 0.23 0.00 -1.26 -4.82 105.19 97.48 2em5 n GLY 42 Ca -0.16 0.00 0.08 0.00 0.00 0.00 0.00 46.02 45.94 2em5 n GLY 42 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2em5 n PRO 43 N -1.57 0.49 -3.70 1.61 -0.04 -1.26 -4.84 135.00 125.69 2em5 n PRO 43 Ca 0.00 0.00 -0.28 0.00 -0.04 0.00 0.00 63.50 63.18 2em5 n PRO 43 Cb 0.00 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 31.90 2em5 n PRO 43 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2em5 n SER 44 N -1.00 -0.75 -4.75 3.54 7.64 -1.26 -4.87 113.62 112.18 2em5 n SER 44 Ca 0.12 -0.89 -0.23 0.00 1.01 0.00 0.00 58.87 58.87 2em5 n SER 44 Cb 0.05 -1.13 0.09 0.00 -1.01 0.00 0.00 64.21 62.21 2em5 n SER 44 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2em5 s SER 45 N -2.99 4.56 0.00 6.43 1.04 -1.26 -4.21 113.70 117.27 2em5 s SER 45 Ca 0.43 -0.19 0.00 0.00 0.48 0.00 0.00 55.95 56.67 2em5 s SER 45 Cb -0.25 -0.31 0.00 0.00 0.10 0.00 0.00 66.02 65.56 2em5 s SER 45 CO 0.73 -1.71 0.00 0.61 0.98 0.00 0.00 173.24 173.85