#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 -0.20 0.41 1.61 1.04 -1.26 -5.18 113.70 110.12 2em5 s SER 2 Ca 0.00 -0.01 0.07 0.00 0.48 0.00 0.00 55.95 56.49 2em5 s SER 2 Cb 0.00 0.36 -0.04 0.00 0.10 0.00 0.00 66.02 66.44 2em5 s SER 2 CO 0.00 -0.56 0.25 -0.55 0.98 0.00 0.00 173.24 173.36 2em5 s SER 3 N -1.73 4.64 -0.21 7.02 0.15 -1.26 -5.14 113.70 117.17 2em5 s SER 3 Ca -0.09 -0.96 -0.08 0.00 0.70 0.00 0.00 55.95 55.52 2em5 s SER 3 Cb -0.02 -0.52 0.09 0.00 -1.71 0.00 0.00 66.02 63.86 2em5 s SER 3 CO 0.00 -0.58 0.45 -0.83 1.20 0.00 0.00 173.24 173.49 2em5 s GLY 4 N -3.98 -0.40 -0.24 9.45 0.00 -1.26 -5.15 107.32 105.74 2em5 s GLY 4 Ca 0.43 1.63 -0.16 0.00 0.00 0.00 0.00 44.72 46.62 2em5 s GLY 4 CO 0.24 2.35 0.61 -0.45 0.00 0.00 0.00 173.10 175.85 2em5 s SER 5 N 2.39 -0.76 0.12 1.64 0.15 -1.26 -5.17 113.70 110.81 2em5 s SER 5 Ca -0.04 1.30 0.10 0.00 0.70 0.00 0.00 55.95 58.01 2em5 s SER 5 Cb -0.11 1.22 -0.04 0.00 -1.71 0.00 0.00 66.02 65.38 2em5 s SER 5 CO -0.14 -0.22 -0.23 -0.94 1.20 0.00 0.00 173.24 172.91 2em5 s SER 6 N 1.16 3.58 -0.30 5.45 1.04 -1.26 -5.13 113.70 118.25 2em5 s SER 6 Ca -0.07 -0.64 -0.16 0.00 0.48 0.00 0.00 55.95 55.56 2em5 s SER 6 Cb -0.06 -0.38 0.17 0.00 0.10 0.00 0.00 66.02 65.85 2em5 s SER 6 CO -0.12 0.19 1.07 -0.83 0.98 0.00 0.00 173.24 174.53 2em5 s GLY 7 N -2.03 0.12 -0.52 7.32 0.00 -1.26 -5.04 107.32 105.91 2em5 s GLY 7 Ca 0.16 3.33 0.02 0.00 0.00 0.00 0.00 44.72 48.23 2em5 s GLY 7 CO 0.08 2.88 1.62 -1.26 0.00 0.00 0.00 173.10 176.42 2em5 n SER 8 N 3.98 6.34 -4.70 1.64 2.88 -1.26 -5.02 113.62 117.49 2em5 n SER 8 Ca -0.15 -3.77 -0.42 0.00 -1.33 0.00 0.00 58.87 53.20 2em5 n SER 8 Cb 0.56 -0.69 -0.03 0.00 -0.75 0.00 0.00 64.21 63.30 2em5 n SER 8 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2em5 s SER 9 N -2.60 7.14 0.19 -3.46 0.15 -1.26 -5.02 113.70 108.83 2em5 s SER 9 Ca 0.57 1.80 -0.17 0.00 0.70 0.00 0.00 55.95 58.85 2em5 s SER 9 Cb 0.45 -2.57 -0.08 0.00 -1.71 0.00 0.00 66.02 62.12 2em5 s SER 9 CO -0.05 -0.48 0.63 -0.89 1.20 0.00 0.00 173.24 173.66 2em5 s THR 10 N 1.66 4.72 0.53 6.45 2.01 -1.26 -5.09 115.64 124.66 2em5 s THR 10 Ca 0.55 1.04 0.02 0.00 0.31 0.00 0.00 61.69 63.61 2em5 s THR 10 Cb -0.24 -3.79 0.00 0.00 0.01 0.00 0.00 72.50 68.48 2em5 s THR 10 CO 0.24 0.22 0.09 -1.59 -0.69 0.00 0.00 174.62 172.89 2em5 s LYS 11 N -1.99 2.22 0.00 4.92 0.00 -1.26 -4.94 119.74 118.69 2em5 s LYS 11 Ca 0.41 -2.34 0.00 0.00 0.00 0.00 0.00 55.97 54.04 2em5 s LYS 11 Cb -0.16 -1.65 0.00 0.00 0.00 0.00 0.00 37.83 36.02 2em5 s LYS 11 CO 0.20 -0.45 0.00 -1.13 0.00 0.00 0.00 175.35 173.97 2em5 n SER 12 N -1.40 0.68 -4.35 0.03 3.41 -1.26 -4.95 113.62 105.77 2em5 n SER 12 Ca -0.16 0.00 -0.45 0.00 -0.26 0.00 0.00 58.87 58.00 2em5 n SER 12 Cb 0.66 0.00 -0.00 0.00 -0.26 0.00 0.00 64.21 64.61 2em5 n SER 12 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 2em5 s HIS 13 N -1.61 4.11 0.16 7.33 3.76 -1.23 -5.03 115.29 122.77 2em5 s HIS 13 Ca 0.00 -2.51 -0.12 0.00 -0.15 0.00 0.00 55.06 52.28 2em5 s HIS 13 Cb 0.00 -3.89 -0.07 0.00 1.11 0.00 0.00 32.58 29.73 2em5 s HIS 13 CO 0.00 -1.01 0.51 -1.14 -0.85 0.00 0.00 174.74 172.25 2em5 s GLN 14 N -0.71 3.86 0.50 1.40 0.74 -1.26 -3.14 119.66 121.05 2em5 s GLN 14 Ca 0.30 0.34 -0.09 0.00 0.05 0.00 0.00 55.36 55.96 2em5 s GLN 14 Cb -0.09 -2.86 -0.05 0.00 1.10 0.00 0.00 33.01 31.11 2em5 s GLN 14 CO -0.07 0.45 0.85 0.00 -0.55 0.00 0.00 175.29 175.97 2em5 n HIS 16 N -2.06 0.00 -0.01 0.00 8.25 -1.26 -3.07 115.22 117.06 2em5 n HIS 16 Ca 0.03 0.00 -0.15 0.00 -0.26 0.00 0.00 57.72 57.34 2em5 n HIS 16 Cb 0.54 -0.25 -0.04 0.00 1.12 0.00 0.00 29.99 31.36 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 0.72 0.00 -0.41 4.39 -2.01 -3.40 114.58 113.87 2em5 h GLU 17 Ca -0.01 -0.56 0.00 0.00 0.34 0.00 0.00 59.36 59.12 2em5 h GLU 17 Cb 0.54 0.11 0.00 0.00 -0.10 0.00 0.00 28.75 29.30 2em5 h GLU 17 CO 0.00 1.18 -0.74 0.00 -1.16 0.00 0.00 179.01 178.29 2em5 n GLY 19 N 2.90 0.57 4.00 0.00 0.00 -1.17 -5.04 105.19 106.45 2em5 n GLY 19 Ca 0.00 -0.17 -0.21 0.00 0.00 0.00 0.00 46.02 45.64 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 0.12 2.16 -0.19 1.61 0.52 -1.26 -4.80 118.95 117.11 2em5 s ARG 20 Ca 0.00 -1.24 -0.01 0.00 -0.52 0.00 0.00 55.73 53.97 2em5 s ARG 20 Cb 0.00 -2.51 0.05 0.00 0.52 0.00 0.00 34.95 33.01 2em5 s ARG 20 CO 0.00 -1.00 -0.04 0.20 0.02 0.00 0.00 175.30 174.48 2em5 s GLY 21 N -4.62 1.00 -0.19 -3.53 0.00 -1.26 -2.49 107.32 96.23 2em5 s GLY 21 Ca 0.62 -0.95 0.01 0.00 0.00 0.00 0.00 44.72 44.40 2em5 s GLY 21 CO 0.40 1.01 -0.18 -1.36 0.00 0.00 0.00 173.10 172.98 2em5 s PHE 22 N 1.61 2.82 0.13 1.90 0.08 -1.19 -5.02 117.98 118.31 2em5 s PHE 22 Ca -0.01 -1.61 -0.23 0.00 0.12 0.00 0.00 56.93 55.20 2em5 s PHE 22 Cb -0.16 -1.94 -0.03 0.00 -0.57 0.00 0.00 43.02 40.31 2em5 s PHE 22 CO -0.07 -0.79 1.66 1.15 -0.10 0.00 0.00 175.22 177.08 2em5 h THR 23 N 5.96 0.58 -3.46 0.64 2.02 -1.92 -3.27 112.91 113.46 2em5 h THR 23 Ca -0.44 0.00 -0.53 0.00 0.77 0.00 0.00 66.41 66.20 2em5 h THR 23 Cb 1.14 0.58 -0.03 0.00 -1.74 0.00 0.00 68.15 68.10 2em5 h THR 23 CO 0.63 0.00 -0.08 -0.76 0.37 0.00 0.00 175.52 175.68 2em5 s LEU 24 N -10.39 4.18 0.05 2.58 1.43 -1.26 -4.67 118.68 110.60 2em5 s LEU 24 Ca -0.14 1.00 -0.30 0.00 -1.03 0.00 0.00 54.13 53.66 2em5 s LEU 24 Cb 0.10 -3.67 -0.18 0.00 0.03 0.00 0.00 46.19 42.47 2em5 s LEU 24 CO 0.67 -0.06 1.47 0.50 0.23 0.00 0.00 176.35 179.16 2em5 h LYS 25 N 2.67 -0.70 -0.96 1.70 3.11 -1.95 -2.93 116.57 117.51 2em5 h LYS 25 Ca -0.47 0.05 0.31 0.00 -2.81 0.00 0.00 60.65 57.72 2em5 h LYS 25 Cb 1.17 0.16 -0.16 0.00 -1.00 0.00 0.00 32.23 32.40 2em5 h LYS 25 CO 0.68 -0.42 0.36 0.66 -2.81 0.00 0.00 179.45 177.93 2em5 h SER 26 N -0.85 0.14 -0.03 4.20 4.64 -1.96 0.13 113.55 119.83 2em5 h SER 26 Ca -0.07 0.22 0.04 0.00 -0.47 0.00 0.00 61.79 61.50 2em5 h SER 26 Cb 0.60 0.27 -0.05 0.00 -0.31 0.00 0.00 62.40 62.91 2em5 h SER 26 CO 0.12 -0.24 -0.35 0.45 -0.87 0.00 0.00 176.83 175.94 2em5 h HIS 27 N 0.17 -0.96 -0.25 4.77 3.86 -1.90 0.22 115.15 121.05 2em5 h HIS 27 Ca 0.68 0.03 -0.00 0.00 -1.16 0.00 0.00 60.37 59.92 2em5 h HIS 27 Cb 1.54 0.43 -0.01 0.00 1.06 0.00 0.00 27.41 30.42 2em5 h HIS 27 CO -0.18 -0.43 0.15 1.25 0.86 0.00 0.00 177.93 179.58 2em5 h LEU 28 N -0.49 0.29 0.43 2.43 5.85 -0.78 -1.27 115.31 121.77 2em5 h LEU 28 Ca 0.06 -0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.74 2em5 h LEU 28 Cb 0.58 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.51 2em5 h LEU 28 CO -0.30 0.24 -0.51 -1.13 -0.34 0.00 0.00 178.44 176.40 2em5 h ASN 29 N 0.32 -1.44 0.02 1.25 -1.24 -0.76 0.28 115.58 114.01 2em5 h ASN 29 Ca 0.09 0.12 0.00 0.00 0.71 0.00 0.00 56.30 57.22 2em5 h ASN 29 Cb -0.00 0.49 0.00 0.00 0.73 0.00 0.00 38.32 39.54 2em5 h ASN 29 CO -0.02 -0.65 0.00 -0.61 -1.29 0.00 0.00 177.43 174.86 2em5 h GLN 30 N -0.96 0.00 0.04 6.67 5.75 -0.54 -2.22 115.11 123.85 2em5 h GLN 30 Ca -0.05 0.00 -0.15 0.00 -0.15 0.00 0.00 58.65 58.29 2em5 h GLN 30 Cb 0.86 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.40 2em5 h GLN 30 CO -0.11 0.00 -0.80 1.25 -2.65 0.00 0.00 178.83 176.52 2em5 h HIS 31 N 0.00 0.15 -0.41 3.99 2.76 0.21 -3.32 115.15 118.53 2em5 h HIS 31 Ca 0.00 -0.11 0.12 0.00 -2.20 0.00 0.00 60.37 58.18 2em5 h HIS 31 Cb 0.01 -0.01 -0.02 0.00 1.55 0.00 0.00 27.41 28.95 2em5 h HIS 31 CO 0.00 1.31 0.50 1.96 -1.30 0.00 0.00 177.93 180.40 2em5 h GLN 32 N -0.78 0.00 -0.23 5.26 4.20 0.10 0.57 115.11 124.22 2em5 h GLN 32 Ca -0.19 0.00 0.07 0.00 0.06 0.00 0.00 58.65 58.58 2em5 h GLN 32 Cb 1.33 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 29.10 2em5 h GLN 32 CO -0.04 0.00 0.46 0.00 -0.67 0.00 0.00 178.83 178.58 2em5 h ARG 33 N 0.00 0.00 -0.17 1.46 2.47 -1.65 0.35 114.38 116.85 2em5 h ARG 33 Ca 0.20 0.00 -0.14 0.00 -1.26 0.00 0.00 59.98 58.77 2em5 h ARG 33 Cb 1.19 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 29.50 2em5 h ARG 33 CO -0.00 0.00 -0.50 -0.84 0.56 0.00 0.00 179.97 179.19 2em5 h ILE 34 N 0.00 1.33 -0.17 2.04 3.07 -1.12 -2.81 117.51 119.85 2em5 h ILE 34 Ca 0.11 -1.72 -0.04 0.00 1.55 0.00 0.00 64.86 64.76 2em5 h ILE 34 Cb 1.02 1.74 -0.02 0.00 -0.27 0.00 0.00 36.82 39.29 2em5 h ILE 34 CO -0.00 0.53 0.05 1.41 -1.05 0.00 0.00 178.15 179.09 2em5 n HIS 35 N -3.97 0.56 0.07 0.16 8.25 0.12 -4.00 115.22 116.41 2em5 n HIS 35 Ca -0.02 -0.38 -0.08 0.00 -0.26 0.00 0.00 57.72 56.98 2em5 n HIS 35 Cb 0.56 -0.27 0.04 0.00 1.12 0.00 0.00 29.99 31.45 2em5 n HIS 35 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2em5 h THR 36 N 0.71 1.41 0.00 1.59 1.03 -1.54 -3.46 112.91 112.64 2em5 h THR 36 Ca 0.05 -2.21 0.00 0.00 -0.01 0.00 0.00 66.41 64.24 2em5 h THR 36 Cb 1.04 2.16 0.00 0.00 -1.07 0.00 0.00 68.15 70.28 2em5 h THR 36 CO 0.16 0.66 0.00 0.61 -0.01 0.00 0.00 175.52 176.94 2em5 n GLY 37 N 0.55 1.85 3.78 2.99 0.00 -1.26 -5.11 105.19 108.00 2em5 n GLY 37 Ca -0.04 -0.20 -0.37 0.00 0.00 0.00 0.00 46.02 45.41 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 1.32 4.46 -0.19 1.61 2.56 -1.26 -5.05 118.70 122.15 2em5 s GLU 38 Ca 0.00 1.37 -0.06 0.00 0.00 0.00 0.00 54.97 56.28 2em5 s GLU 38 Cb 0.00 -2.70 -0.03 0.00 2.00 0.00 0.00 34.13 33.39 2em5 s GLU 38 CO 0.00 0.15 0.03 0.21 -0.56 0.00 0.00 175.26 175.10 2em5 s LYS 39 N -2.23 3.83 0.49 4.30 2.20 -1.26 -4.73 119.74 122.34 2em5 s LYS 39 Ca 0.53 -0.42 -0.22 0.00 -0.36 0.00 0.00 55.97 55.50 2em5 s LYS 39 Cb -0.19 -3.15 -0.07 0.00 -1.51 0.00 0.00 37.83 32.91 2em5 s LYS 39 CO 0.24 0.18 1.15 -1.25 -0.36 0.00 0.00 175.35 175.32 2em5 s PRO 40 N 0.59 3.61 -0.18 4.03 0.04 -1.26 -5.01 135.00 136.82 2em5 s PRO 40 Ca 0.01 1.72 -0.20 0.00 0.04 0.00 0.00 61.00 62.57 2em5 s PRO 40 Cb -0.13 -2.26 -0.03 0.00 0.04 0.00 0.00 34.50 32.11 2em5 s PRO 40 CO 0.02 -0.66 0.60 -1.12 0.04 0.00 0.00 177.00 175.87 2em5 s SER 41 N -1.50 6.68 0.11 6.66 0.01 -1.26 -5.06 113.70 119.33 2em5 s SER 41 Ca 0.67 0.82 0.03 0.00 1.31 0.00 0.00 55.95 58.78 2em5 s SER 41 Cb -0.27 -2.34 -0.04 0.00 0.21 0.00 0.00 66.02 63.59 2em5 s SER 41 CO 0.32 -0.22 -0.09 -0.83 0.41 0.00 0.00 173.24 172.83 2em5 s GLY 42 N 1.11 0.86 -0.52 3.44 0.00 -1.26 -5.10 107.32 105.85 2em5 s GLY 42 Ca 0.28 -1.31 -0.27 0.00 0.00 0.00 0.00 44.72 43.42 2em5 s GLY 42 CO 0.11 -1.40 1.81 2.56 0.00 0.00 0.00 173.10 176.17 2em5 s PRO 43 N -3.38 2.88 0.02 2.90 0.04 -1.26 -4.96 135.00 131.25 2em5 s PRO 43 Ca 0.10 0.84 -0.04 0.00 0.04 0.00 0.00 61.00 61.94 2em5 s PRO 43 Cb 0.01 -4.31 -0.01 0.00 0.04 0.00 0.00 34.50 30.23 2em5 s PRO 43 CO -0.02 -2.42 0.07 -1.12 0.04 0.00 0.00 177.00 173.55 2em5 s SER 44 N 7.26 0.17 -1.25 6.66 0.01 -1.26 -4.88 113.70 120.42 2em5 s SER 44 Ca 0.70 -0.47 -0.09 0.00 1.31 0.00 0.00 55.95 57.40 2em5 s SER 44 Cb -0.15 0.19 0.09 0.00 0.21 0.00 0.00 66.02 66.36 2em5 s SER 44 CO 0.25 -0.43 0.23 -1.54 0.41 0.00 0.00 173.24 172.16 2em5 n SER 45 N 1.11 -0.38 0.00 2.44 3.41 -1.26 -5.30 113.62 113.64 2em5 n SER 45 Ca -0.21 -0.91 0.00 0.00 -0.26 0.00 0.00 58.87 57.49 2em5 n SER 45 Cb 0.57 -1.15 0.00 0.00 -0.26 0.00 0.00 64.21 63.37 2em5 n SER 45 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49