#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 1.14 -0.08 1.61 2.88 -1.26 -4.95 113.62 112.97 2em5 n SER 2 Ca 0.00 0.99 -0.13 0.00 -1.33 0.00 0.00 58.87 58.40 2em5 n SER 2 Cb 0.00 -1.35 -0.09 0.00 -0.75 0.00 0.00 64.21 62.01 2em5 n SER 2 CO 0.00 0.00 0.00 -1.28 -1.23 0.00 0.00 175.04 172.53 2em5 h SER 3 N 1.36 0.00 0.00 -3.46 0.87 -2.10 -3.50 113.55 106.73 2em5 h SER 3 Ca -0.45 -0.61 0.00 0.00 -1.23 0.00 0.00 61.79 59.50 2em5 h SER 3 Cb 1.34 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.30 2em5 h SER 3 CO 0.56 1.04 0.00 0.61 -0.53 0.00 0.00 176.83 178.51 2em5 n GLY 4 N 1.59 1.49 2.68 5.77 0.00 -1.26 -5.09 105.19 110.37 2em5 n GLY 4 Ca -0.15 -0.37 -0.49 0.00 0.00 0.00 0.00 46.02 45.02 2em5 n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2em5 n SER 5 N 0.00 0.78 -2.20 1.61 2.88 -1.26 -4.82 113.62 110.61 2em5 n SER 5 Ca 0.00 0.75 -0.27 0.00 -1.33 0.00 0.00 58.87 58.02 2em5 n SER 5 Cb 0.00 -0.67 0.03 0.00 -0.75 0.00 0.00 64.21 62.82 2em5 n SER 5 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 2em5 n SER 6 N 3.99 5.40 0.00 -3.46 3.41 -1.26 -5.04 113.62 116.65 2em5 n SER 6 Ca 0.30 -3.75 0.00 0.00 -0.26 0.00 0.00 58.87 55.16 2em5 n SER 6 Cb -0.04 -0.49 0.00 0.00 -0.26 0.00 0.00 64.21 63.42 2em5 n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2em5 n GLY 7 N -0.68 3.06 3.70 5.00 0.00 -1.26 -5.00 105.19 110.00 2em5 n GLY 7 Ca 0.46 -1.85 -0.60 0.00 0.00 0.00 0.00 46.02 44.03 2em5 n GLY 7 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2em5 n SER 8 N 0.00 2.01 -4.54 1.61 2.88 -1.26 -4.93 113.62 109.39 2em5 n SER 8 Ca 0.00 1.07 -0.34 0.00 -1.33 0.00 0.00 58.87 58.27 2em5 n SER 8 Cb 0.00 -1.06 -0.11 0.00 -0.75 0.00 0.00 64.21 62.28 2em5 n SER 8 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2em5 s SER 9 N 3.64 5.00 -0.19 -3.46 0.01 -1.26 -5.00 113.70 112.45 2em5 s SER 9 Ca 1.01 -0.07 -0.04 0.00 1.31 0.00 0.00 55.95 58.17 2em5 s SER 9 Cb -1.20 -1.81 -0.05 0.00 0.21 0.00 0.00 66.02 63.18 2em5 s SER 9 CO 0.70 0.18 2.84 1.07 0.41 0.00 0.00 173.24 178.44 2em5 n THR 10 N 3.46 2.89 -1.72 1.44 5.66 -1.26 -4.93 114.28 119.81 2em5 n THR 10 Ca -0.17 -1.80 -0.31 0.00 -3.05 0.00 0.00 64.05 58.72 2em5 n THR 10 Cb 0.52 -1.69 0.03 0.00 -1.55 0.00 0.00 70.33 67.65 2em5 n THR 10 CO 0.00 0.00 0.00 -0.75 -3.05 0.00 0.00 175.07 171.27 2em5 s LYS 11 N -0.43 3.22 -0.07 1.09 2.47 -1.26 -5.03 119.74 119.73 2em5 s LYS 11 Ca 0.47 0.83 -0.08 0.00 -1.56 0.00 0.00 55.97 55.63 2em5 s LYS 11 Cb 0.27 -2.03 -0.04 0.00 -1.46 0.00 0.00 37.83 34.57 2em5 s LYS 11 CO -0.07 -0.86 -0.18 0.43 0.16 0.00 0.00 175.35 174.83 2em5 n SER 12 N -2.96 1.38 -4.65 1.43 7.64 -1.26 -4.98 113.62 110.22 2em5 n SER 12 Ca 0.07 0.22 -0.41 0.00 1.01 0.00 0.00 58.87 59.76 2em5 n SER 12 Cb 0.54 -0.50 -0.05 0.00 -1.01 0.00 0.00 64.21 63.18 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 -2.40 3.36 0.01 1.43 3.76 -1.20 -5.01 115.29 115.24 2em5 s HIS 13 Ca -0.16 0.99 0.05 0.00 -0.15 0.00 0.00 55.06 55.79 2em5 s HIS 13 Cb 0.04 -2.87 -0.02 0.00 1.11 0.00 0.00 32.58 30.84 2em5 s HIS 13 CO 0.22 -0.23 -0.16 -1.14 -0.85 0.00 0.00 174.74 172.58 2em5 s GLN 14 N 2.13 1.19 0.69 1.40 0.74 -1.26 -1.07 119.66 123.48 2em5 s GLN 14 Ca 0.31 -0.67 -0.11 0.00 0.05 0.00 0.00 55.36 54.94 2em5 s GLN 14 Cb -0.16 -1.18 0.00 0.00 1.10 0.00 0.00 33.01 32.77 2em5 s GLN 14 CO 0.10 0.31 1.06 0.00 -0.55 0.00 0.00 175.29 176.21 2em5 n HIS 16 N -3.08 0.00 -0.03 0.00 8.25 -1.26 -3.17 115.22 115.93 2em5 n HIS 16 Ca 0.07 0.00 -0.17 0.00 -0.26 0.00 0.00 57.72 57.36 2em5 n HIS 16 Cb 0.54 -0.31 -0.07 0.00 1.12 0.00 0.00 29.99 31.26 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 0.69 0.00 -0.41 4.39 -1.99 -3.40 114.58 113.85 2em5 h GLU 17 Ca -0.08 -0.55 0.00 0.00 0.34 0.00 0.00 59.36 59.07 2em5 h GLU 17 Cb 0.82 0.11 0.00 0.00 -0.10 0.00 0.00 28.75 29.58 2em5 h GLU 17 CO 0.00 1.17 -1.00 0.00 -1.16 0.00 0.00 179.01 178.02 2em5 n GLY 19 N 3.47 0.93 3.93 0.00 0.00 -1.19 -5.03 105.19 107.29 2em5 n GLY 19 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 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 0.13 3.10 -0.14 1.61 0.52 -1.26 -4.73 118.95 118.18 2em5 s ARG 20 Ca 0.00 -0.14 -0.00 0.00 -0.52 0.00 0.00 55.73 55.07 2em5 s ARG 20 Cb 0.00 -2.40 -0.01 0.00 0.52 0.00 0.00 34.95 33.06 2em5 s ARG 20 CO 0.00 -0.44 -0.14 0.20 0.02 0.00 0.00 175.30 174.94 2em5 s GLY 21 N -4.23 1.52 -0.06 -3.53 0.00 -1.26 -1.36 107.32 98.39 2em5 s GLY 21 Ca 0.50 -0.95 0.02 0.00 0.00 0.00 0.00 44.72 44.30 2em5 s GLY 21 CO 0.42 -0.11 -0.10 -1.36 0.00 0.00 0.00 173.10 171.95 2em5 s PHE 22 N 0.53 1.30 0.02 1.90 0.08 -0.24 -5.03 117.98 116.55 2em5 s PHE 22 Ca -0.09 -0.47 -0.23 0.00 0.12 0.00 0.00 56.93 56.26 2em5 s PHE 22 Cb -0.16 -0.99 -0.16 0.00 -0.57 0.00 0.00 43.02 41.15 2em5 s PHE 22 CO 0.04 -0.27 1.36 1.15 -0.10 0.00 0.00 175.22 177.41 2em5 h THR 23 N 6.01 1.33 -3.52 0.64 2.02 -1.99 -3.18 112.91 114.23 2em5 h THR 23 Ca -0.32 -1.10 -0.61 0.00 0.77 0.00 0.00 66.41 65.15 2em5 h THR 23 Cb 1.18 1.87 -0.12 0.00 -1.74 0.00 0.00 68.15 69.34 2em5 h THR 23 CO 0.47 0.31 0.12 -0.76 0.37 0.00 0.00 175.52 176.03 2em5 s LEU 24 N -9.28 4.09 0.32 2.58 1.43 -1.26 -4.74 118.68 111.81 2em5 s LEU 24 Ca -0.15 0.57 0.06 0.00 -1.03 0.00 0.00 54.13 53.58 2em5 s LEU 24 Cb 0.04 -2.80 0.87 0.00 0.03 0.00 0.00 46.19 44.33 2em5 s LEU 24 CO 0.71 -0.39 1.58 0.50 0.23 0.00 0.00 176.35 178.98 2em5 h LYS 25 N 8.02 0.03 -0.11 1.70 1.63 -1.97 0.24 116.57 126.11 2em5 h LYS 25 Ca -0.27 -0.00 0.05 0.00 -0.85 0.00 0.00 60.65 59.57 2em5 h LYS 25 Cb 1.12 -0.01 -0.06 0.00 -0.60 0.00 0.00 32.23 32.69 2em5 h LYS 25 CO 0.77 0.02 -0.30 1.03 -3.45 0.00 0.00 179.45 177.52 2em5 h SER 26 N 0.03 -0.94 -0.78 4.20 0.87 -1.96 -1.88 113.55 113.10 2em5 h SER 26 Ca 0.65 0.14 0.07 0.00 -1.23 0.00 0.00 61.79 61.41 2em5 h SER 26 Cb 1.43 0.40 -0.09 0.00 -0.44 0.00 0.00 62.40 63.69 2em5 h SER 26 CO -0.86 -0.35 -0.47 0.45 -0.53 0.00 0.00 176.83 175.07 2em5 h HIS 27 N -0.39 -1.51 0.22 2.24 3.86 -0.92 0.14 115.15 118.81 2em5 h HIS 27 Ca 0.09 0.10 0.01 0.00 -1.16 0.00 0.00 60.37 59.41 2em5 h HIS 27 Cb 0.53 0.76 -0.04 0.00 1.06 0.00 0.00 27.41 29.72 2em5 h HIS 27 CO -0.38 -0.30 -0.51 1.25 0.86 0.00 0.00 177.93 178.84 2em5 h LEU 28 N -0.01 -1.51 -0.78 2.43 5.85 -1.45 0.48 115.31 120.31 2em5 h LEU 28 Ca 0.12 0.15 0.11 0.00 0.84 0.00 0.00 57.88 59.11 2em5 h LEU 28 Cb 0.33 0.54 -0.13 0.00 0.37 0.00 0.00 40.66 41.78 2em5 h LEU 28 CO -0.74 -0.58 -0.43 0.78 -0.34 0.00 0.00 178.44 177.13 2em5 h ASN 29 N -0.82 -1.52 0.30 1.25 2.35 -0.44 0.82 115.58 117.53 2em5 h ASN 29 Ca -0.02 0.28 -0.05 0.00 -0.55 0.00 0.00 56.30 55.96 2em5 h ASN 29 Cb 0.79 0.73 -0.01 0.00 0.05 0.00 0.00 38.32 39.88 2em5 h ASN 29 CO -0.23 -0.30 -0.26 -0.61 -1.65 0.00 0.00 177.43 174.39 2em5 h GLN 30 N -0.11 0.00 -0.24 0.81 4.15 -0.39 -2.89 115.11 116.44 2em5 h GLN 30 Ca 0.24 0.00 -0.06 0.00 0.77 0.00 0.00 58.65 59.61 2em5 h GLN 30 Cb 0.55 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.24 2em5 h GLN 30 CO -0.83 0.26 -0.07 1.25 -1.93 0.00 0.00 178.83 177.51 2em5 h HIS 31 N 0.00 0.53 -0.01 3.99 2.76 0.54 -2.74 115.15 120.23 2em5 h HIS 31 Ca -0.00 -0.12 0.00 0.00 -2.20 0.00 0.00 60.37 58.05 2em5 h HIS 31 Cb 0.48 -0.13 -0.00 0.00 1.55 0.00 0.00 27.41 29.31 2em5 h HIS 31 CO 0.00 0.71 0.59 1.96 -1.30 0.00 0.00 177.93 179.88 2em5 h GLN 32 N 0.21 0.00 -0.54 5.26 4.20 -0.18 0.26 115.11 124.32 2em5 h GLN 32 Ca 0.06 0.00 0.06 0.00 0.06 0.00 0.00 58.65 58.83 2em5 h GLN 32 Cb 0.54 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.29 2em5 h GLN 32 CO 0.03 0.00 0.36 0.00 -0.67 0.00 0.00 178.83 178.54 2em5 h ARG 33 N 0.00 0.46 0.00 1.46 3.08 -1.59 0.12 114.38 117.91 2em5 h ARG 33 Ca 0.01 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.03 2em5 h ARG 33 Cb 1.18 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 31.12 2em5 h ARG 33 CO -0.00 0.31 0.00 0.44 -1.07 0.00 0.00 179.97 179.65 2em5 n ILE 34 N -4.47 1.53 -0.05 2.04 -5.35 0.90 -1.95 119.36 112.01 2em5 n ILE 34 Ca 0.07 0.38 -0.06 0.00 -0.27 0.00 0.00 62.75 62.88 2em5 n ILE 34 Cb 0.25 -1.31 -0.07 0.00 -1.74 0.00 0.00 39.64 36.77 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 -1.45 0.00 -1.67 4.28 8.25 0.34 -5.00 115.22 119.97 2em5 n HIS 35 Ca 0.01 0.00 -0.54 0.00 -0.26 0.00 0.00 57.72 56.93 2em5 n HIS 35 Cb 0.04 -0.47 -0.06 0.00 1.12 0.00 0.00 29.99 30.62 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 -2.47 0.23 -1.92 1.59 -2.24 -0.81 -4.74 114.28 103.91 2em5 n THR 36 Ca -0.17 -0.04 0.00 0.00 -2.27 0.00 0.00 64.05 61.57 2em5 n THR 36 Cb 0.79 -1.21 0.00 0.00 -2.10 0.00 0.00 70.33 67.81 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 3.67 0.14 3.74 3.38 0.00 -1.26 -5.00 105.19 109.85 2em5 n GLY 37 Ca 0.23 -1.54 -0.32 0.00 0.00 0.00 0.00 46.02 44.39 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 -2.00 2.15 -1.07 1.61 0.41 -1.26 -4.79 118.70 113.75 2em5 s GLU 38 Ca 0.00 -2.34 -0.08 0.00 -0.41 0.00 0.00 54.97 52.14 2em5 s GLU 38 Cb 0.00 -1.56 0.01 0.00 -1.78 0.00 0.00 34.13 30.80 2em5 s GLU 38 CO 0.00 -0.30 0.15 1.63 -0.49 0.00 0.00 175.26 176.25 2em5 n LYS 39 N -1.21 -0.79 -2.08 1.61 4.76 -1.26 -4.76 118.16 114.43 2em5 n LYS 39 Ca -0.16 0.02 -0.42 0.00 -2.87 0.00 0.00 58.31 54.87 2em5 n LYS 39 Cb 0.67 -2.31 -0.03 0.00 -1.84 0.00 0.00 35.03 31.53 2em5 n LYS 39 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 2em5 s PRO 40 N -6.42 3.27 0.04 1.97 0.04 -1.26 -4.93 135.00 127.70 2em5 s PRO 40 Ca 0.11 1.18 -0.37 0.00 0.04 0.00 0.00 61.00 61.97 2em5 s PRO 40 Cb -0.06 -4.19 -0.16 0.00 0.04 0.00 0.00 34.50 30.13 2em5 s PRO 40 CO 0.73 -1.94 1.46 -1.13 0.04 0.00 0.00 177.00 176.16 2em5 n SER 41 N 10.38 2.09 0.00 6.66 3.41 -1.26 -4.91 113.62 129.99 2em5 n SER 41 Ca 0.21 1.10 0.00 0.00 -0.26 0.00 0.00 58.87 59.92 2em5 n SER 41 Cb 0.48 -1.23 0.00 0.00 -0.26 0.00 0.00 64.21 63.20 2em5 n SER 41 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2em5 n GLY 42 N 3.00 0.79 3.57 5.00 0.00 -1.26 -4.96 105.19 111.33 2em5 n GLY 42 Ca 0.19 -0.01 -0.27 0.00 0.00 0.00 0.00 46.02 45.93 2em5 n GLY 42 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2em5 s PRO 43 N 0.37 2.53 -0.21 1.61 0.04 -1.26 -4.70 135.00 133.39 2em5 s PRO 43 Ca 0.00 -0.72 -0.20 0.00 0.04 0.00 0.00 61.00 60.12 2em5 s PRO 43 Cb 0.00 -5.15 -0.17 0.00 0.04 0.00 0.00 34.50 29.22 2em5 s PRO 43 CO 0.00 -3.67 0.13 0.43 0.04 0.00 0.00 177.00 173.93 2em5 n SER 44 N 14.16 1.86 -4.17 6.66 7.64 -1.26 -5.03 113.62 133.48 2em5 n SER 44 Ca 0.42 0.44 -0.11 0.00 1.01 0.00 0.00 58.87 60.64 2em5 n SER 44 Cb 0.47 -0.95 -0.10 0.00 -1.01 0.00 0.00 64.21 62.62 2em5 n SER 44 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2em5 s SER 45 N -6.78 0.43 0.00 6.43 0.01 -1.26 -5.30 113.70 107.23 2em5 s SER 45 Ca -0.28 -1.22 0.00 0.00 1.31 0.00 0.00 55.95 55.75 2em5 s SER 45 Cb 0.06 0.28 0.00 0.00 0.21 0.00 0.00 66.02 66.57 2em5 s SER 45 CO 0.55 -0.72 0.00 0.61 0.41 0.00 0.00 173.24 174.09