#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2em5 s SER 2 N 0.00 7.03 -0.78 1.61 0.01 -1.26 -4.99 113.70 115.32 2em5 s SER 2 Ca 0.00 -3.01 -0.25 0.00 1.31 0.00 0.00 55.95 53.99 2em5 s SER 2 Cb 0.00 -2.28 0.05 0.00 0.21 0.00 0.00 66.02 64.00 2em5 s SER 2 CO 0.00 -0.57 1.24 -0.55 0.41 0.00 0.00 173.24 173.77 2em5 s SER 3 N 2.19 6.24 -0.00 2.44 0.15 -1.26 -4.98 113.70 118.49 2em5 s SER 3 Ca 0.30 -0.80 0.01 0.00 0.70 0.00 0.00 55.95 56.17 2em5 s SER 3 Cb -0.08 -2.53 -0.01 0.00 -1.71 0.00 0.00 66.02 61.70 2em5 s SER 3 CO -0.07 -1.67 -0.05 -0.83 1.20 0.00 0.00 173.24 171.82 2em5 s GLY 4 N 3.94 0.25 -0.22 9.45 0.00 -1.26 -5.14 107.32 114.35 2em5 s GLY 4 Ca 0.34 -0.25 -0.06 0.00 0.00 0.00 0.00 44.72 44.76 2em5 s GLY 4 CO 0.09 -0.22 0.02 -0.45 0.00 0.00 0.00 173.10 172.54 2em5 s SER 5 N -0.22 4.90 -0.28 1.64 0.15 -1.26 -5.07 113.70 113.56 2em5 s SER 5 Ca 0.01 -0.21 -0.25 0.00 0.70 0.00 0.00 55.95 56.19 2em5 s SER 5 Cb -0.02 -1.85 0.15 0.00 -1.71 0.00 0.00 66.02 62.58 2em5 s SER 5 CO -0.00 0.03 1.19 -0.55 1.20 0.00 0.00 173.24 175.11 2em5 s SER 6 N 1.24 -0.29 0.51 5.45 0.15 -1.26 -5.18 113.70 114.32 2em5 s SER 6 Ca 0.04 0.54 0.01 0.00 0.70 0.00 0.00 55.95 57.23 2em5 s SER 6 Cb -0.15 0.54 0.02 0.00 -1.71 0.00 0.00 66.02 64.72 2em5 s SER 6 CO 0.02 -0.11 0.73 -0.83 1.20 0.00 0.00 173.24 174.25 2em5 s GLY 7 N 0.05 1.72 -0.59 9.45 0.00 -1.26 -5.00 107.32 111.70 2em5 s GLY 7 Ca 0.05 -1.22 -0.02 0.00 0.00 0.00 0.00 44.72 43.53 2em5 s GLY 7 CO -0.09 -0.98 2.18 -1.14 0.00 0.00 0.00 173.10 173.06 2em5 n SER 8 N -2.23 7.15 -4.72 1.64 3.41 -1.26 -4.99 113.62 112.62 2em5 n SER 8 Ca 0.05 -3.53 -0.32 0.00 -0.26 0.00 0.00 58.87 54.82 2em5 n SER 8 Cb 0.59 -1.07 0.12 0.00 -0.26 0.00 0.00 64.21 63.59 2em5 n SER 8 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2em5 s SER 9 N -0.77 3.86 -0.19 4.04 0.01 -1.26 -5.05 113.70 114.34 2em5 s SER 9 Ca 0.53 2.14 -0.16 0.00 1.31 0.00 0.00 55.95 59.76 2em5 s SER 9 Cb 0.41 -2.56 0.05 0.00 0.21 0.00 0.00 66.02 64.13 2em5 s SER 9 CO -0.15 -2.48 0.50 0.42 0.41 0.00 0.00 173.24 171.94 2em5 s THR 10 N -2.48 -0.00 0.29 1.44 -4.23 -1.26 -5.12 115.64 104.27 2em5 s THR 10 Ca 0.68 0.01 0.08 0.00 -1.18 0.00 0.00 61.69 61.28 2em5 s THR 10 Cb -0.23 -0.70 -0.04 0.00 1.34 0.00 0.00 72.50 72.87 2em5 s THR 10 CO 0.52 0.00 0.13 -0.75 -0.54 0.00 0.00 174.62 173.99 2em5 s LYS 11 N 0.43 2.57 0.14 3.99 2.20 -1.26 -5.02 119.74 122.80 2em5 s LYS 11 Ca -0.01 -1.31 -0.18 0.00 -0.36 0.00 0.00 55.97 54.10 2em5 s LYS 11 Cb -0.04 -2.34 0.06 0.00 -1.51 0.00 0.00 37.83 34.00 2em5 s LYS 11 CO -0.01 0.28 1.12 0.43 -0.36 0.00 0.00 175.35 176.81 2em5 n SER 12 N -1.11 -0.63 -4.02 1.43 7.64 -1.25 -3.43 113.62 112.25 2em5 n SER 12 Ca -0.05 1.28 -0.31 0.00 1.01 0.00 0.00 58.87 60.80 2em5 n SER 12 Cb 0.59 -0.23 -0.15 0.00 -1.01 0.00 0.00 64.21 63.42 2em5 n SER 12 CO 0.00 0.00 0.00 -1.00 -3.01 0.00 0.00 175.04 171.03 2em5 s HIS 13 N -5.52 3.50 -0.14 1.43 3.76 -1.04 -5.02 115.29 112.26 2em5 s HIS 13 Ca -0.09 -2.73 -0.11 0.00 -0.15 0.00 0.00 55.06 51.98 2em5 s HIS 13 Cb 0.11 -2.57 -0.05 0.00 1.11 0.00 0.00 32.58 31.19 2em5 s HIS 13 CO 0.48 -0.92 0.21 -1.14 -0.85 0.00 0.00 174.74 172.53 2em5 s GLN 14 N 1.00 3.94 0.74 1.40 0.74 -1.22 -1.95 119.66 124.32 2em5 s GLN 14 Ca 0.05 -0.02 -0.11 0.00 0.05 0.00 0.00 55.36 55.33 2em5 s GLN 14 Cb -0.19 -3.33 0.04 0.00 1.10 0.00 0.00 33.01 30.63 2em5 s GLN 14 CO -0.08 0.48 1.08 0.00 -0.55 0.00 0.00 175.29 176.22 2em5 n HIS 16 N -3.34 0.00 -0.17 0.00 8.25 -1.26 -3.06 115.22 115.64 2em5 n HIS 16 Ca 0.08 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.44 2em5 n HIS 16 Cb 0.53 -0.38 0.03 0.00 1.12 0.00 0.00 29.99 31.29 2em5 n HIS 16 CO 0.00 0.00 0.00 0.93 0.64 0.00 0.00 176.34 177.91 2em5 h GLU 17 N 0.00 0.99 0.00 -0.41 4.39 -1.99 -3.39 114.58 114.17 2em5 h GLU 17 Ca -0.14 -0.38 0.00 0.00 0.34 0.00 0.00 59.36 59.18 2em5 h GLU 17 Cb 1.08 -0.06 0.00 0.00 -0.10 0.00 0.00 28.75 29.68 2em5 h GLU 17 CO 0.01 1.06 -0.73 0.00 -1.16 0.00 0.00 179.01 178.19 2em5 n GLY 19 N 2.94 1.70 3.73 0.00 0.00 -1.17 -5.04 105.19 107.34 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 -0.21 0.60 -0.02 1.61 0.52 -1.26 -4.59 118.95 115.60 2em5 s ARG 20 Ca 0.00 0.32 0.02 0.00 -0.52 0.00 0.00 55.73 55.55 2em5 s ARG 20 Cb 0.00 -1.77 0.00 0.00 0.52 0.00 0.00 34.95 33.70 2em5 s ARG 20 CO 0.00 -2.57 -0.08 0.20 0.02 0.00 0.00 175.30 172.87 2em5 s GLY 21 N -3.81 0.47 0.02 -3.53 0.00 -1.26 -0.37 107.32 98.85 2em5 s GLY 21 Ca 0.65 -0.27 0.03 0.00 0.00 0.00 0.00 44.72 45.13 2em5 s GLY 21 CO 0.55 -0.03 -0.08 -1.36 0.00 0.00 0.00 173.10 172.18 2em5 s PHE 22 N 0.24 0.74 -0.04 1.90 0.40 -0.82 -5.00 117.98 115.40 2em5 s PHE 22 Ca -0.03 -0.32 -0.17 0.00 -0.60 0.00 0.00 56.93 55.80 2em5 s PHE 22 Cb -0.08 -0.45 -0.11 0.00 0.51 0.00 0.00 43.02 42.89 2em5 s PHE 22 CO 0.00 -0.03 0.73 1.15 0.70 0.00 0.00 175.22 177.78 2em5 h THR 23 N 4.68 0.28 -3.31 0.64 2.02 -1.96 -2.75 112.91 112.50 2em5 h THR 23 Ca -0.34 -0.75 -0.56 0.00 0.77 0.00 0.00 66.41 65.53 2em5 h THR 23 Cb 1.19 0.46 -0.04 0.00 -1.74 0.00 0.00 68.15 68.02 2em5 h THR 23 CO 0.45 0.07 0.02 -0.76 0.37 0.00 0.00 175.52 175.67 2em5 s LEU 24 N -9.11 4.52 0.22 2.58 1.43 -1.26 -4.61 118.68 112.44 2em5 s LEU 24 Ca -0.10 1.33 -0.08 0.00 -1.03 0.00 0.00 54.13 54.25 2em5 s LEU 24 Cb 0.01 -3.00 0.33 0.00 0.03 0.00 0.00 46.19 43.56 2em5 s LEU 24 CO 0.33 0.22 1.75 0.50 0.23 0.00 0.00 176.35 179.37 2em5 h LYS 25 N 4.76 0.44 -0.60 1.70 1.63 -1.97 -1.59 116.57 120.93 2em5 h LYS 25 Ca -0.48 -0.03 0.12 0.00 -0.85 0.00 0.00 60.65 59.41 2em5 h LYS 25 Cb 1.21 -0.10 -0.09 0.00 -0.60 0.00 0.00 32.23 32.65 2em5 h LYS 25 CO 0.65 0.29 0.11 1.03 -3.45 0.00 0.00 179.45 178.08 2em5 h SER 26 N 0.45 -0.04 -0.05 4.20 0.87 -1.99 -0.45 113.55 116.54 2em5 h SER 26 Ca 0.34 0.12 0.02 0.00 -1.23 0.00 0.00 61.79 61.04 2em5 h SER 26 Cb 0.44 0.17 -0.06 0.00 -0.44 0.00 0.00 62.40 62.51 2em5 h SER 26 CO -0.32 -0.01 -0.52 0.45 -0.53 0.00 0.00 176.83 175.89 2em5 h HIS 27 N 0.24 -1.54 -0.32 2.24 3.86 -1.69 -0.70 115.15 117.24 2em5 h HIS 27 Ca 0.32 0.05 0.05 0.00 -1.16 0.00 0.00 60.37 59.63 2em5 h HIS 27 Cb 0.48 0.68 -0.04 0.00 1.06 0.00 0.00 27.41 29.59 2em5 h HIS 27 CO -0.26 -0.54 0.07 1.25 0.86 0.00 0.00 177.93 179.30 2em5 h LEU 28 N -0.61 0.01 -0.51 2.43 5.85 -1.38 -1.15 115.31 119.96 2em5 h LEU 28 Ca 0.02 0.05 0.09 0.00 0.84 0.00 0.00 57.88 58.89 2em5 h LEU 28 Cb 0.68 0.07 -0.10 0.00 0.37 0.00 0.00 40.66 41.67 2em5 h LEU 28 CO -0.38 0.04 -0.32 -1.13 -0.34 0.00 0.00 178.44 176.32 2em5 h ASN 29 N 0.18 -1.09 0.06 1.25 -1.24 -0.48 0.33 115.58 114.58 2em5 h ASN 29 Ca 0.15 0.21 -0.05 0.00 0.71 0.00 0.00 56.30 57.32 2em5 h ASN 29 Cb 0.17 0.53 -0.01 0.00 0.73 0.00 0.00 38.32 39.74 2em5 h ASN 29 CO -0.20 -0.30 -0.14 -0.61 -1.29 0.00 0.00 177.43 174.89 2em5 h GLN 30 N -0.19 0.18 0.03 6.67 4.15 -0.78 -2.97 115.11 122.20 2em5 h GLN 30 Ca 0.21 -0.04 -0.00 0.00 0.77 0.00 0.00 58.65 59.59 2em5 h GLN 30 Cb 0.54 -0.03 0.00 0.00 0.21 0.00 0.00 27.48 28.20 2em5 h GLN 30 CO -0.61 0.33 -0.01 1.25 -1.93 0.00 0.00 178.83 177.85 2em5 h HIS 31 N 0.17 -0.03 -0.70 3.99 2.76 0.73 -2.80 115.15 119.26 2em5 h HIS 31 Ca 0.04 -0.00 0.20 0.00 -2.20 0.00 0.00 60.37 58.41 2em5 h HIS 31 Cb 0.36 0.01 -0.03 0.00 1.55 0.00 0.00 27.41 29.30 2em5 h HIS 31 CO 0.00 0.30 0.94 1.96 -1.30 0.00 0.00 177.93 179.84 2em5 h GLN 32 N -0.38 0.00 -0.84 5.26 4.20 -0.40 0.45 115.11 123.40 2em5 h GLN 32 Ca -0.00 0.00 0.07 0.00 0.06 0.00 0.00 58.65 58.78 2em5 h GLN 32 Cb 0.35 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 28.07 2em5 h GLN 32 CO 0.01 0.00 0.51 0.00 -0.67 0.00 0.00 178.83 178.68 2em5 h ARG 33 N 0.00 0.89 -1.31 1.46 3.08 -1.56 -0.76 114.38 116.17 2em5 h ARG 33 Ca 0.33 -0.05 0.38 0.00 0.07 0.00 0.00 59.98 60.71 2em5 h ARG 33 Cb 2.21 -0.20 -0.05 0.00 0.08 0.00 0.00 29.97 32.01 2em5 h ARG 33 CO -0.00 0.59 0.96 -0.84 -1.07 0.00 0.00 179.97 179.60 2em5 h ILE 34 N 0.92 0.33 0.01 2.04 3.07 -0.27 0.28 117.51 123.89 2em5 h ILE 34 Ca 0.38 0.00 -0.35 0.00 1.55 0.00 0.00 64.86 66.44 2em5 h ILE 34 Cb 0.22 0.33 -0.06 0.00 -0.27 0.00 0.00 36.82 37.05 2em5 h ILE 34 CO -0.19 0.00 -2.20 1.41 -1.05 0.00 0.00 178.15 176.12 2em5 n HIS 35 N -4.12 0.35 -1.53 0.16 8.25 -0.40 -4.87 115.22 113.06 2em5 n HIS 35 Ca 0.29 0.11 -0.39 0.00 -0.26 0.00 0.00 57.72 57.47 2em5 n HIS 35 Cb 1.38 -1.06 -0.06 0.00 1.12 0.00 0.00 29.99 31.37 2em5 n HIS 35 CO 0.00 0.00 0.00 2.41 0.64 0.00 0.00 176.34 179.39 2em5 n THR 36 N -2.94 -0.01 -0.52 1.59 -1.04 1.00 -4.16 114.28 108.20 2em5 n THR 36 Ca -0.30 -0.55 0.00 0.00 -2.04 0.00 0.00 64.05 61.16 2em5 n THR 36 Cb 1.10 -2.17 0.00 0.00 -1.82 0.00 0.00 70.33 67.44 2em5 n THR 36 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2em5 n GLY 37 N 6.16 -1.12 3.52 3.41 0.00 -1.26 -4.94 105.19 110.96 2em5 n GLY 37 Ca 0.43 -0.79 -0.29 0.00 0.00 0.00 0.00 46.02 45.37 2em5 n GLY 37 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2em5 s GLU 38 N -1.58 1.91 -0.61 1.61 -1.05 -1.26 -5.05 118.70 112.67 2em5 s GLU 38 Ca 0.00 -1.14 0.04 0.00 -0.15 0.00 0.00 54.97 53.72 2em5 s GLU 38 Cb 0.00 -2.18 0.16 0.00 -0.44 0.00 0.00 34.13 31.68 2em5 s GLU 38 CO 0.00 0.48 0.43 0.15 0.95 0.00 0.00 175.26 177.27 2em5 s LYS 39 N -2.24 2.04 1.15 -4.83 1.02 -1.26 -5.11 119.74 110.51 2em5 s LYS 39 Ca 0.20 -2.95 -0.17 0.00 0.02 0.00 0.00 55.97 53.06 2em5 s LYS 39 Cb -0.11 -2.95 0.26 0.00 -0.52 0.00 0.00 37.83 34.52 2em5 s LYS 39 CO 0.12 -1.28 1.11 -1.25 -0.92 0.00 0.00 175.35 173.12 2em5 s PRO 40 N -0.94 -0.83 0.72 -1.68 0.04 -1.26 -5.05 135.00 126.00 2em5 s PRO 40 Ca 0.25 0.07 -0.08 0.00 0.04 0.00 0.00 61.00 61.28 2em5 s PRO 40 Cb -0.06 -1.63 0.05 0.00 0.04 0.00 0.00 34.50 32.90 2em5 s PRO 40 CO -0.15 -3.48 1.05 -1.12 0.04 0.00 0.00 177.00 173.34 2em5 s SER 41 N -3.78 4.91 0.11 6.66 0.01 -1.26 -4.99 113.70 115.35 2em5 s SER 41 Ca 0.70 0.64 -0.31 0.00 1.31 0.00 0.00 55.95 58.29 2em5 s SER 41 Cb -0.12 -1.31 -0.09 0.00 0.21 0.00 0.00 66.02 64.71 2em5 s SER 41 CO 0.56 -1.58 1.68 -0.83 0.41 0.00 0.00 173.24 173.48 2em5 s GLY 42 N -4.49 1.49 0.41 3.44 0.00 -1.26 -4.88 107.32 102.04 2em5 s GLY 42 Ca 0.60 1.31 0.29 0.00 0.00 0.00 0.00 44.72 46.92 2em5 s GLY 42 CO 0.47 2.89 1.86 -0.56 0.00 0.00 0.00 173.10 177.75 2em5 h PRO 43 N 7.97 0.00 -5.83 2.90 0.13 -2.06 -3.47 132.00 131.65 2em5 h PRO 43 Ca -0.43 0.00 -0.39 0.00 -0.87 0.00 0.00 66.00 64.31 2em5 h PRO 43 Cb 1.21 0.00 0.13 0.00 0.13 0.00 0.00 31.00 32.47 2em5 h PRO 43 CO 0.93 0.00 -0.72 0.43 -0.23 0.00 0.00 178.00 178.42 2em5 n SER 44 N -2.67 -4.89 -0.17 1.44 7.64 -1.26 -4.91 113.62 108.80 2em5 n SER 44 Ca 0.01 -0.59 -0.10 0.00 1.01 0.00 0.00 58.87 59.21 2em5 n SER 44 Cb 0.26 -4.95 0.00 0.00 -1.01 0.00 0.00 64.21 58.51 2em5 n SER 44 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 2em5 h SER 45 N -2.42 0.78 0.00 6.43 0.02 -2.02 -3.57 113.55 112.77 2em5 h SER 45 Ca -0.58 -0.28 0.00 0.00 -0.84 0.00 0.00 61.79 60.10 2em5 h SER 45 Cb 1.36 -0.21 0.00 0.00 0.14 0.00 0.00 62.40 63.69 2em5 h SER 45 CO 0.55 0.86 0.00 0.61 -1.14 0.00 0.00 176.83 177.71