#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 -0.35 0.12 1.61 0.01 -1.26 -5.17 113.70 108.66 2em5 s SER 2 Ca 0.00 -0.39 -0.05 0.00 1.31 0.00 0.00 55.95 56.82 2em5 s SER 2 Cb 0.00 0.65 -0.05 0.00 0.21 0.00 0.00 66.02 66.82 2em5 s SER 2 CO 0.00 -1.15 0.35 -0.94 0.41 0.00 0.00 173.24 171.91 2em5 s SER 3 N -2.86 6.48 -0.54 2.44 1.04 -1.26 -5.05 113.70 113.95 2em5 s SER 3 Ca 0.08 0.56 -0.21 0.00 0.48 0.00 0.00 55.95 56.86 2em5 s SER 3 Cb -0.03 -2.08 0.06 0.00 0.10 0.00 0.00 66.02 64.07 2em5 s SER 3 CO -0.02 0.08 0.78 -0.83 0.98 0.00 0.00 173.24 174.23 2em5 s GLY 4 N -2.36 1.60 0.29 7.32 0.00 -1.26 -5.03 107.32 107.88 2em5 s GLY 4 Ca 0.39 -1.60 0.11 0.00 0.00 0.00 0.00 44.72 43.62 2em5 s GLY 4 CO 0.24 1.74 -0.11 -0.45 0.00 0.00 0.00 173.10 174.53 2em5 s SER 5 N 2.89 3.96 -0.89 1.64 0.15 -1.26 -5.08 113.70 115.11 2em5 s SER 5 Ca 0.21 -0.92 -0.19 0.00 0.70 0.00 0.00 55.95 55.75 2em5 s SER 5 Cb -0.17 -0.49 0.12 0.00 -1.71 0.00 0.00 66.02 63.77 2em5 s SER 5 CO 0.14 -0.02 1.10 -0.94 1.20 0.00 0.00 173.24 174.71 2em5 s SER 6 N -3.59 6.56 -0.04 5.45 1.04 -1.26 -4.54 113.70 117.31 2em5 s SER 6 Ca 0.31 -1.90 -0.01 0.00 0.48 0.00 0.00 55.95 54.84 2em5 s SER 6 Cb -0.04 -2.40 0.00 0.00 0.10 0.00 0.00 66.02 63.68 2em5 s SER 6 CO 0.17 -1.11 0.03 0.61 0.98 0.00 0.00 173.24 173.92 2em5 n GLY 7 N 5.48 -1.88 0.05 7.32 0.00 -1.26 -5.04 105.19 109.86 2em5 n GLY 7 Ca 0.20 -0.06 -0.02 0.00 0.00 0.00 0.00 46.02 46.13 2em5 n GLY 7 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 2em5 h SER 8 N 0.28 0.00 -3.76 1.61 0.87 -2.01 -3.48 113.55 107.07 2em5 h SER 8 Ca 0.00 0.00 -0.20 0.00 -1.23 0.00 0.00 61.79 60.36 2em5 h SER 8 Cb 0.06 0.00 -0.27 0.00 -0.44 0.00 0.00 62.40 61.74 2em5 h SER 8 CO 0.02 0.57 -0.58 -0.55 -0.53 0.00 0.00 176.83 175.75 2em5 s SER 9 N -5.43 -0.12 -0.12 6.23 0.15 -1.26 -5.14 113.70 108.01 2em5 s SER 9 Ca -0.07 0.24 -0.04 0.00 0.70 0.00 0.00 55.95 56.78 2em5 s SER 9 Cb 0.01 0.23 0.05 0.00 -1.71 0.00 0.00 66.02 64.61 2em5 s SER 9 CO 0.10 -0.05 0.10 0.42 1.20 0.00 0.00 173.24 175.02 2em5 s THR 10 N 0.12 -0.14 0.10 6.45 -4.23 -1.26 -5.12 115.64 111.55 2em5 s THR 10 Ca -0.00 0.10 0.08 0.00 -1.18 0.00 0.00 61.69 60.68 2em5 s THR 10 Cb -0.01 -0.42 -0.04 0.00 1.34 0.00 0.00 72.50 73.37 2em5 s THR 10 CO -0.00 -0.07 -0.15 -0.75 -0.54 0.00 0.00 174.62 173.11 2em5 s LYS 11 N 2.19 1.97 0.23 3.99 2.47 -1.26 -5.02 119.74 124.30 2em5 s LYS 11 Ca 0.04 -1.08 -0.10 0.00 -1.56 0.00 0.00 55.97 53.27 2em5 s LYS 11 Cb -0.14 -2.20 0.34 0.00 -1.46 0.00 0.00 37.83 34.36 2em5 s LYS 11 CO -0.07 0.50 1.36 0.43 0.16 0.00 0.00 175.35 177.73 2em5 n SER 12 N 0.90 -0.40 -4.09 1.43 7.64 -1.26 -4.06 113.62 113.78 2em5 n SER 12 Ca -0.15 1.51 -0.30 0.00 1.01 0.00 0.00 58.87 60.94 2em5 n SER 12 Cb 0.52 -0.42 -0.17 0.00 -1.01 0.00 0.00 64.21 63.14 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 -6.01 2.19 -0.02 1.43 3.76 -1.13 -5.05 115.29 110.46 2em5 s HIS 13 Ca -0.13 -1.06 0.06 0.00 -0.15 0.00 0.00 55.06 53.78 2em5 s HIS 13 Cb 0.22 -1.55 -0.02 0.00 1.11 0.00 0.00 32.58 32.33 2em5 s HIS 13 CO 0.66 -0.52 -0.21 -1.14 -0.85 0.00 0.00 174.74 172.68 2em5 s GLN 14 N 0.94 2.24 0.77 1.40 2.00 -1.26 -1.52 119.66 124.23 2em5 s GLN 14 Ca -0.07 -0.86 -0.11 0.00 -2.00 0.00 0.00 55.36 52.32 2em5 s GLN 14 Cb -0.15 -2.18 0.05 0.00 0.80 0.00 0.00 33.01 31.53 2em5 s GLN 14 CO -0.02 0.58 1.10 0.00 -0.50 0.00 0.00 175.29 176.45 2em5 n HIS 16 N -3.31 0.00 0.04 0.00 -0.00 -1.26 -3.54 115.22 107.15 2em5 n HIS 16 Ca 0.07 0.00 -0.20 0.00 0.46 0.00 0.00 57.72 58.05 2em5 n HIS 16 Cb 0.56 -0.11 -0.11 0.00 -0.12 0.00 0.00 29.99 30.21 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 0.58 0.00 1.57 4.39 -2.00 -3.41 114.58 115.71 2em5 h GLU 17 Ca 0.00 -0.67 0.00 0.00 0.34 0.00 0.00 59.36 59.03 2em5 h GLU 17 Cb 0.22 0.20 0.00 0.00 -0.10 0.00 0.00 28.75 29.07 2em5 h GLU 17 CO 0.00 1.27 -0.95 0.00 -1.16 0.00 0.00 179.01 178.18 2em5 n GLY 19 N 3.26 1.78 3.90 0.00 0.00 -1.23 -5.04 105.19 107.86 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 -0.72 1.04 -0.05 1.61 0.52 -1.26 -4.68 118.95 115.40 2em5 s ARG 20 Ca 0.00 -0.19 0.02 0.00 -0.52 0.00 0.00 55.73 55.04 2em5 s ARG 20 Cb 0.00 -1.87 0.02 0.00 0.52 0.00 0.00 34.95 33.62 2em5 s ARG 20 CO 0.00 -2.18 -0.08 0.20 0.02 0.00 0.00 175.30 173.26 2em5 s GLY 21 N -4.71 0.60 -0.06 -3.53 0.00 -1.26 -1.59 107.32 96.78 2em5 s GLY 21 Ca 0.69 -0.21 0.01 0.00 0.00 0.00 0.00 44.72 45.21 2em5 s GLY 21 CO 0.52 0.29 -0.08 -1.36 0.00 0.00 0.00 173.10 172.47 2em5 s PHE 22 N 0.79 1.08 0.08 1.90 0.40 -0.58 -5.02 117.98 116.63 2em5 s PHE 22 Ca -0.13 -0.37 -0.22 0.00 -0.60 0.00 0.00 56.93 55.61 2em5 s PHE 22 Cb -0.15 -0.86 -0.13 0.00 0.51 0.00 0.00 43.02 42.39 2em5 s PHE 22 CO 0.02 -0.24 1.65 1.79 0.70 0.00 0.00 175.22 179.13 2em5 h THR 23 N 6.07 1.11 -3.27 0.64 1.35 -1.95 -2.99 112.91 113.86 2em5 h THR 23 Ca -0.34 -0.31 -0.58 0.00 -0.55 0.00 0.00 66.41 64.62 2em5 h THR 23 Cb 1.17 1.17 -0.07 0.00 -1.73 0.00 0.00 68.15 68.68 2em5 h THR 23 CO 0.47 0.09 -0.13 -0.76 -0.25 0.00 0.00 175.52 174.94 2em5 s LEU 24 N -9.95 4.33 0.21 3.87 1.43 -1.26 -4.63 118.68 112.67 2em5 s LEU 24 Ca -0.14 0.88 -0.11 0.00 -1.03 0.00 0.00 54.13 53.74 2em5 s LEU 24 Cb 0.06 -2.70 0.27 0.00 0.03 0.00 0.00 46.19 43.85 2em5 s LEU 24 CO 0.68 0.07 1.68 0.50 0.23 0.00 0.00 176.35 179.51 2em5 h LYS 25 N 6.23 0.16 -0.39 1.70 3.11 -1.97 -1.75 116.57 123.66 2em5 h LYS 25 Ca -0.43 -0.01 0.08 0.00 -2.81 0.00 0.00 60.65 57.48 2em5 h LYS 25 Cb 1.19 -0.04 -0.09 0.00 -1.00 0.00 0.00 32.23 32.29 2em5 h LYS 25 CO 0.72 0.11 -0.25 0.66 -2.81 0.00 0.00 179.45 177.88 2em5 h SER 26 N 0.16 -0.82 -0.57 4.20 4.64 -1.96 -1.36 113.55 117.84 2em5 h SER 26 Ca 0.30 0.17 0.05 0.00 -0.47 0.00 0.00 61.79 61.84 2em5 h SER 26 Cb 0.47 0.41 -0.07 0.00 -0.31 0.00 0.00 62.40 62.91 2em5 h SER 26 CO -0.46 -0.27 -0.37 0.45 -0.87 0.00 0.00 176.83 175.32 2em5 h HIS 27 N -0.18 -1.17 -0.68 4.77 3.86 -1.71 0.30 115.15 120.33 2em5 h HIS 27 Ca 0.19 0.08 0.10 0.00 -1.16 0.00 0.00 60.37 59.57 2em5 h HIS 27 Cb 0.48 0.58 -0.07 0.00 1.06 0.00 0.00 27.41 29.46 2em5 h HIS 27 CO -0.47 -0.24 0.32 1.25 0.86 0.00 0.00 177.93 179.65 2em5 h LEU 28 N -0.03 0.39 -0.32 2.43 5.85 -1.44 -0.52 115.31 121.66 2em5 h LEU 28 Ca 0.09 0.07 0.06 0.00 0.84 0.00 0.00 57.88 58.94 2em5 h LEU 28 Cb 0.27 0.01 -0.06 0.00 0.37 0.00 0.00 40.66 41.25 2em5 h LEU 28 CO -0.56 0.22 -0.05 -1.13 -0.34 0.00 0.00 178.44 176.58 2em5 h ASN 29 N 0.54 -0.25 0.51 1.25 -1.24 0.40 0.24 115.58 117.03 2em5 h ASN 29 Ca 0.34 0.09 0.00 0.00 0.71 0.00 0.00 56.30 57.44 2em5 h ASN 29 Cb 0.38 0.18 0.00 0.00 0.73 0.00 0.00 38.32 39.61 2em5 h ASN 29 CO -0.28 -0.08 0.00 0.00 -1.29 0.00 0.00 177.43 175.77 2em5 n GLN 30 N -5.24 0.21 -0.01 6.67 6.02 0.75 -2.86 117.38 122.92 2em5 n GLN 30 Ca 0.01 0.10 -0.15 0.00 -0.01 0.00 0.00 57.00 56.95 2em5 n GLN 30 Cb 0.18 -1.50 -0.14 0.00 1.02 0.00 0.00 30.24 29.80 2em5 n GLN 30 CO 0.00 0.00 0.00 1.58 -1.01 0.00 0.00 177.06 177.63 2em5 n HIS 31 N -1.35 1.06 0.15 1.08 -0.00 0.61 -3.91 115.22 112.86 2em5 n HIS 31 Ca 0.09 0.30 0.04 0.00 0.46 0.00 0.00 57.72 58.60 2em5 n HIS 31 Cb 0.20 -1.17 0.18 0.00 -0.12 0.00 0.00 29.99 29.08 2em5 n HIS 31 CO 0.00 0.00 0.00 1.04 0.46 0.00 0.00 176.34 177.84 2em5 n GLN 32 N -3.24 0.03 0.17 1.57 6.02 0.06 -1.75 117.38 120.24 2em5 n GLN 32 Ca -0.25 0.47 0.13 0.00 -0.01 0.00 0.00 57.00 57.33 2em5 n GLN 32 Cb 1.05 -1.59 0.59 0.00 1.02 0.00 0.00 30.24 31.31 2em5 n GLN 32 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2em5 h ARG 33 N 0.00 0.00 0.00 -1.09 2.47 -1.69 -0.30 114.38 113.77 2em5 h ARG 33 Ca 0.00 0.00 -0.18 0.00 -1.26 0.00 0.00 59.98 58.54 2em5 h ARG 33 Cb 0.07 0.00 -0.03 0.00 -1.65 0.00 0.00 29.97 28.36 2em5 h ARG 33 CO 0.00 0.00 -1.00 -0.84 0.56 0.00 0.00 179.97 178.69 2em5 h ILE 34 N 0.00 1.14 0.03 2.04 3.07 -1.62 -3.34 117.51 118.83 2em5 h ILE 34 Ca 0.00 -2.73 -0.33 0.00 1.55 0.00 0.00 64.86 63.35 2em5 h ILE 34 Cb 0.20 2.53 -0.05 0.00 -0.27 0.00 0.00 36.82 39.23 2em5 h ILE 34 CO 0.00 0.65 -1.97 1.41 -1.05 0.00 0.00 178.15 177.19 2em5 n HIS 35 N -3.20 0.77 -2.27 0.16 8.25 -0.63 -4.91 115.22 113.39 2em5 n HIS 35 Ca -0.03 0.24 -0.41 0.00 -0.26 0.00 0.00 57.72 57.26 2em5 n HIS 35 Cb 0.87 -1.13 -0.03 0.00 1.12 0.00 0.00 29.99 30.82 2em5 n HIS 35 CO 0.00 0.00 0.00 -0.08 0.64 0.00 0.00 176.34 176.90 2em5 s THR 36 N -2.56 3.30 -4.07 1.59 -1.32 -0.22 -4.94 115.64 107.42 2em5 s THR 36 Ca -0.12 1.09 0.00 0.00 -1.21 0.00 0.00 61.69 61.46 2em5 s THR 36 Cb 0.07 -3.70 0.00 0.00 -1.51 0.00 0.00 72.50 67.37 2em5 s THR 36 CO 0.80 0.17 0.00 0.61 -2.21 0.00 0.00 174.62 173.99 2em5 n GLY 37 N 2.21 -1.90 3.65 6.08 0.00 -1.26 -4.89 105.19 109.07 2em5 n GLY 37 Ca 0.05 -1.20 -0.43 0.00 0.00 0.00 0.00 46.02 44.44 2em5 n GLY 37 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2em5 s GLU 38 N -1.79 4.04 -0.13 1.61 2.02 -1.26 -4.99 118.70 118.20 2em5 s GLU 38 Ca 0.00 1.71 -0.13 0.00 0.02 0.00 0.00 54.97 56.57 2em5 s GLU 38 Cb 0.00 -3.91 0.04 0.00 0.10 0.00 0.00 34.13 30.35 2em5 s GLU 38 CO 0.00 -0.98 0.38 0.21 0.02 0.00 0.00 175.26 174.89 2em5 s LYS 39 N 4.08 0.46 0.59 1.61 2.20 -1.26 -5.16 119.74 122.26 2em5 s LYS 39 Ca 0.64 0.48 -0.18 0.00 -0.36 0.00 0.00 55.97 56.56 2em5 s LYS 39 Cb -0.24 0.22 -0.03 0.00 -1.51 0.00 0.00 37.83 36.26 2em5 s LYS 39 CO 0.24 -0.06 1.12 -1.25 -0.36 0.00 0.00 175.35 175.04 2em5 s PRO 40 N 0.11 3.12 -1.53 4.03 0.04 -1.26 -3.48 135.00 136.02 2em5 s PRO 40 Ca -0.01 1.52 -0.13 0.00 0.04 0.00 0.00 61.00 62.42 2em5 s PRO 40 Cb -0.03 -1.98 0.09 0.00 0.04 0.00 0.00 34.50 32.62 2em5 s PRO 40 CO 0.01 -1.02 0.91 0.45 0.04 0.00 0.00 177.00 177.39 2em5 n SER 41 N -1.77 -4.08 -0.02 6.66 2.88 -1.26 -4.92 113.62 111.12 2em5 n SER 41 Ca 0.11 -0.83 -0.00 0.00 -1.33 0.00 0.00 58.87 56.82 2em5 n SER 41 Cb 0.51 -3.70 -0.00 0.00 -0.75 0.00 0.00 64.21 60.27 2em5 n SER 41 CO 0.00 0.00 0.00 1.23 -1.23 0.00 0.00 175.04 175.04 2em5 h GLY 42 N -1.98 -0.02 -1.29 0.46 0.00 -2.00 -3.47 103.07 94.78 2em5 h GLY 42 Ca -0.59 0.01 -0.51 0.00 0.00 0.00 0.00 47.33 46.24 2em5 h GLY 42 CO 0.68 -0.01 0.31 2.56 0.00 0.00 0.00 176.54 180.08 2em5 s PRO 43 N -1.33 2.13 -0.14 4.80 0.04 -1.26 -5.08 135.00 134.16 2em5 s PRO 43 Ca -0.00 1.13 -0.12 0.00 0.04 0.00 0.00 61.00 62.05 2em5 s PRO 43 Cb 0.00 -1.88 0.04 0.00 0.04 0.00 0.00 34.50 32.70 2em5 s PRO 43 CO 0.01 -1.72 0.37 0.45 0.04 0.00 0.00 177.00 176.14 2em5 s SER 44 N -3.39 -0.40 0.23 6.66 0.15 -1.26 -5.05 113.70 110.63 2em5 s SER 44 Ca 0.61 0.75 -0.17 0.00 0.70 0.00 0.00 55.95 57.85 2em5 s SER 44 Cb -0.17 0.73 0.25 0.00 -1.71 0.00 0.00 66.02 65.11 2em5 s SER 44 CO 0.56 -0.14 1.57 -1.28 1.20 0.00 0.00 173.24 175.15 2em5 h SER 45 N 5.91 -1.23 0.00 5.45 0.87 -2.03 -3.56 113.55 118.95 2em5 h SER 45 Ca -0.29 0.28 0.00 0.00 -1.23 0.00 0.00 61.79 60.55 2em5 h SER 45 Cb 1.18 0.67 0.00 0.00 -0.44 0.00 0.00 62.40 63.81 2em5 h SER 45 CO 0.28 -0.29 0.00 0.61 -0.53 0.00 0.00 176.83 176.90