#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 5.75 -3.72 1.61 3.41 -1.26 -4.96 113.62 114.44 2em5 n SER 2 Ca 0.00 -3.76 -0.17 0.00 -0.26 0.00 0.00 58.87 54.68 2em5 n SER 2 Cb 0.00 -0.56 -0.16 0.00 -0.26 0.00 0.00 64.21 63.23 2em5 n SER 2 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2em5 s SER 3 N -3.00 0.46 -0.07 4.04 1.04 -1.26 -4.89 113.70 110.03 2em5 s SER 3 Ca 0.54 0.12 -0.00 0.00 0.48 0.00 0.00 55.95 57.09 2em5 s SER 3 Cb 0.43 -0.02 0.00 0.00 0.10 0.00 0.00 66.02 66.54 2em5 s SER 3 CO -0.04 -0.18 0.05 0.61 0.98 0.00 0.00 173.24 174.66 2em5 n GLY 4 N 4.68 0.43 2.67 7.32 0.00 -1.26 -5.04 105.19 113.99 2em5 n GLY 4 Ca -0.17 -0.46 -0.28 0.00 0.00 0.00 0.00 46.02 45.11 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 -3.07 3.32 -0.53 1.61 0.01 -1.26 -5.02 113.70 108.76 2em5 s SER 5 Ca 0.00 -3.33 0.04 0.00 1.31 0.00 0.00 55.95 53.97 2em5 s SER 5 Cb -0.00 -1.07 0.15 0.00 0.21 0.00 0.00 66.02 65.31 2em5 s SER 5 CO 0.04 -0.15 0.34 -0.55 0.41 0.00 0.00 173.24 173.33 2em5 s SER 6 N -0.54 3.75 -0.47 2.44 0.15 -1.26 -4.98 113.70 112.79 2em5 s SER 6 Ca 0.26 -3.14 0.08 0.00 0.70 0.00 0.00 55.95 53.86 2em5 s SER 6 Cb -0.05 -1.21 0.29 0.00 -1.71 0.00 0.00 66.02 63.34 2em5 s SER 6 CO -0.15 -0.19 0.70 0.61 1.20 0.00 0.00 173.24 175.41 2em5 n GLY 7 N 2.87 3.94 0.88 9.45 0.00 -1.26 -4.83 105.19 116.23 2em5 n GLY 7 Ca 0.15 -2.06 0.00 0.00 0.00 0.00 0.00 46.02 44.11 2em5 n GLY 7 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2em5 n SER 8 N 0.71 0.54 -4.69 1.61 7.64 -1.26 -5.06 113.62 113.10 2em5 n SER 8 Ca 0.26 0.00 -0.36 0.00 1.01 0.00 0.00 58.87 59.78 2em5 n SER 8 Cb 0.52 0.00 -0.09 0.00 -1.01 0.00 0.00 64.21 63.63 2em5 n SER 8 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2em5 s SER 9 N -4.15 6.17 0.20 6.43 0.15 -1.26 -5.09 113.70 116.14 2em5 s SER 9 Ca 0.00 0.18 0.09 0.00 0.70 0.00 0.00 55.95 56.92 2em5 s SER 9 Cb 0.00 -2.11 -0.04 0.00 -1.71 0.00 0.00 66.02 62.16 2em5 s SER 9 CO 0.00 0.11 -0.07 0.42 1.20 0.00 0.00 173.24 174.90 2em5 s THR 10 N 0.77 3.27 -0.07 6.45 -4.23 -1.26 -4.99 115.64 115.57 2em5 s THR 10 Ca 0.08 -1.69 -0.12 0.00 -1.18 0.00 0.00 61.69 58.78 2em5 s THR 10 Cb -0.13 -2.65 0.03 0.00 1.34 0.00 0.00 72.50 71.09 2em5 s THR 10 CO 0.02 -0.16 0.30 -0.75 -0.54 0.00 0.00 174.62 173.49 2em5 s LYS 11 N -3.00 0.49 0.27 3.99 2.47 -1.26 -5.04 119.74 117.66 2em5 s LYS 11 Ca 0.26 0.16 -0.02 0.00 -1.56 0.00 0.00 55.97 54.81 2em5 s LYS 11 Cb -0.08 0.22 0.57 0.00 -1.46 0.00 0.00 37.83 37.08 2em5 s LYS 11 CO 0.16 -0.10 1.39 0.45 0.16 0.00 0.00 175.35 177.41 2em5 n SER 12 N 2.22 -0.19 -3.90 1.43 2.88 -1.26 -3.29 113.62 111.50 2em5 n SER 12 Ca -0.17 1.52 -0.30 0.00 -1.33 0.00 0.00 58.87 58.59 2em5 n SER 12 Cb 0.57 -0.51 -0.15 0.00 -0.75 0.00 0.00 64.21 63.37 2em5 n SER 12 CO 0.00 0.00 0.00 -1.00 -1.23 0.00 0.00 175.04 172.81 2em5 s HIS 13 N -5.96 2.95 -0.13 0.66 3.76 -1.24 -5.07 115.29 110.26 2em5 s HIS 13 Ca -0.12 -2.55 -0.07 0.00 -0.15 0.00 0.00 55.06 52.17 2em5 s HIS 13 Cb 0.25 -2.46 -0.04 0.00 1.11 0.00 0.00 32.58 31.44 2em5 s HIS 13 CO 0.69 -0.91 0.13 -1.14 -0.85 0.00 0.00 174.74 172.66 2em5 s GLN 14 N 1.07 3.48 0.80 1.40 0.74 -1.21 -2.56 119.66 123.38 2em5 s GLN 14 Ca 0.11 -0.16 -0.11 0.00 0.05 0.00 0.00 55.36 55.25 2em5 s GLN 14 Cb -0.19 -3.18 0.07 0.00 1.10 0.00 0.00 33.01 30.81 2em5 s GLN 14 CO -0.13 0.72 1.09 0.00 -0.55 0.00 0.00 175.29 176.42 2em5 n HIS 16 N -3.54 0.00 -0.06 0.00 -0.00 -1.26 -3.22 115.22 107.14 2em5 n HIS 16 Ca 0.08 0.00 -0.15 0.00 0.46 0.00 0.00 57.72 58.11 2em5 n HIS 16 Cb 0.54 -0.35 -0.06 0.00 -0.12 0.00 0.00 29.99 30.00 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 0.68 0.00 1.57 4.39 -1.99 -3.40 114.58 115.82 2em5 h GLU 17 Ca -0.12 -0.46 0.00 0.00 0.34 0.00 0.00 59.36 59.12 2em5 h GLU 17 Cb 0.97 0.07 0.00 0.00 -0.10 0.00 0.00 28.75 29.69 2em5 h GLU 17 CO 0.01 1.08 -0.94 0.00 -1.16 0.00 0.00 179.01 178.00 2em5 n GLY 19 N 3.32 1.95 3.81 0.00 0.00 -1.20 -5.03 105.19 108.06 2em5 n GLY 19 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 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 1.86 -0.08 1.61 0.52 -1.26 -4.61 118.95 116.34 2em5 s ARG 20 Ca 0.00 0.49 0.03 0.00 -0.52 0.00 0.00 55.73 55.73 2em5 s ARG 20 Cb 0.00 -1.91 0.01 0.00 0.52 0.00 0.00 34.95 33.57 2em5 s ARG 20 CO 0.00 -1.74 -0.18 0.20 0.02 0.00 0.00 175.30 173.60 2em5 s GLY 21 N -4.02 1.05 -0.10 -3.53 0.00 -1.26 -0.97 107.32 98.49 2em5 s GLY 21 Ca 0.61 -0.69 -0.01 0.00 0.00 0.00 0.00 44.72 44.64 2em5 s GLY 21 CO 0.53 -0.08 -0.05 -1.36 0.00 0.00 0.00 173.10 172.14 2em5 s PHE 22 N 0.53 1.26 0.19 1.90 0.40 -1.06 -5.03 117.98 116.17 2em5 s PHE 22 Ca -0.16 -0.58 -0.12 0.00 -0.60 0.00 0.00 56.93 55.47 2em5 s PHE 22 Cb -0.17 -1.11 0.18 0.00 0.51 0.00 0.00 43.02 42.43 2em5 s PHE 22 CO 0.06 -0.46 1.77 1.15 0.70 0.00 0.00 175.22 178.44 2em5 h THR 23 N 6.22 0.91 -3.20 0.64 2.02 -1.97 -3.30 112.91 114.23 2em5 h THR 23 Ca -0.27 -0.16 -0.58 0.00 0.77 0.00 0.00 66.41 66.16 2em5 h THR 23 Cb 1.13 0.39 -0.06 0.00 -1.74 0.00 0.00 68.15 67.87 2em5 h THR 23 CO 0.37 0.09 -0.11 -0.76 0.37 0.00 0.00 175.52 175.47 2em5 s LEU 24 N -10.30 4.43 0.16 2.58 1.43 -1.26 -4.78 118.68 110.93 2em5 s LEU 24 Ca -0.13 1.03 -0.16 0.00 -1.03 0.00 0.00 54.13 53.84 2em5 s LEU 24 Cb 0.15 -2.75 0.05 0.00 0.03 0.00 0.00 46.19 43.67 2em5 s LEU 24 CO 0.74 0.19 1.78 0.50 0.23 0.00 0.00 176.35 179.79 2em5 h LYS 25 N 5.35 0.40 -0.40 1.70 1.63 -1.97 -2.66 116.57 120.62 2em5 h LYS 25 Ca -0.47 -0.02 0.07 0.00 -0.85 0.00 0.00 60.65 59.38 2em5 h LYS 25 Cb 1.20 -0.09 -0.06 0.00 -0.60 0.00 0.00 32.23 32.68 2em5 h LYS 25 CO 0.67 0.27 0.01 0.66 -3.45 0.00 0.00 179.45 177.61 2em5 h SER 26 N 0.42 -0.15 -0.35 4.20 4.64 -1.95 -2.08 113.55 118.28 2em5 h SER 26 Ca 0.16 0.09 0.04 0.00 -0.47 0.00 0.00 61.79 61.61 2em5 h SER 26 Cb 0.05 0.16 -0.07 0.00 -0.31 0.00 0.00 62.40 62.23 2em5 h SER 26 CO -0.10 -0.04 -0.50 0.45 -0.87 0.00 0.00 176.83 175.77 2em5 h HIS 27 N 0.12 -1.53 -0.45 4.77 3.86 -1.86 -1.10 115.15 118.96 2em5 h HIS 27 Ca 0.20 0.07 0.09 0.00 -1.16 0.00 0.00 60.37 59.57 2em5 h HIS 27 Cb 0.28 0.71 -0.08 0.00 1.06 0.00 0.00 27.41 29.38 2em5 h HIS 27 CO -0.26 -0.44 -0.07 1.25 0.86 0.00 0.00 177.93 179.27 2em5 h LEU 28 N -0.37 -0.32 -0.54 2.43 5.85 -1.40 -0.70 115.31 120.25 2em5 h LEU 28 Ca 0.06 0.12 0.10 0.00 0.84 0.00 0.00 57.88 59.00 2em5 h LEU 28 Cb 0.54 0.24 -0.11 0.00 0.37 0.00 0.00 40.66 41.70 2em5 h LEU 28 CO -0.53 -0.11 -0.35 -1.13 -0.34 0.00 0.00 178.44 175.97 2em5 h ASN 29 N 0.04 -1.21 0.26 1.25 -1.24 -0.54 0.50 115.58 114.63 2em5 h ASN 29 Ca 0.22 0.22 -0.04 0.00 0.71 0.00 0.00 56.30 57.41 2em5 h ASN 29 Cb 0.33 0.58 -0.01 0.00 0.73 0.00 0.00 38.32 39.96 2em5 h ASN 29 CO -0.42 -0.32 -0.19 -0.61 -1.29 0.00 0.00 177.43 174.60 2em5 h GLN 30 N -0.20 0.00 0.24 6.67 4.15 -0.58 -3.05 115.11 122.34 2em5 h GLN 30 Ca 0.21 0.00 -0.01 0.00 0.77 0.00 0.00 58.65 59.62 2em5 h GLN 30 Cb 0.55 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.25 2em5 h GLN 30 CO -0.65 0.19 -0.11 1.25 -1.93 0.00 0.00 178.83 177.57 2em5 h HIS 31 N 0.00 -0.30 -0.60 3.99 2.76 0.13 -3.01 115.15 118.13 2em5 h HIS 31 Ca -0.00 -0.01 0.17 0.00 -2.20 0.00 0.00 60.37 58.34 2em5 h HIS 31 Cb 0.36 0.10 -0.02 0.00 1.55 0.00 0.00 27.41 29.40 2em5 h HIS 31 CO 0.00 0.08 0.98 1.96 -1.30 0.00 0.00 177.93 179.65 2em5 h GLN 32 N -0.79 0.00 -0.86 5.26 4.20 -0.43 0.40 115.11 122.89 2em5 h GLN 32 Ca -0.03 0.00 0.11 0.00 0.06 0.00 0.00 58.65 58.79 2em5 h GLN 32 Cb 0.51 0.00 -0.08 0.00 0.30 0.00 0.00 27.48 28.21 2em5 h GLN 32 CO 0.05 0.00 0.49 0.00 -0.67 0.00 0.00 178.83 178.70 2em5 h ARG 33 N 0.00 0.75 -1.04 1.46 3.08 -1.58 0.46 114.38 117.51 2em5 h ARG 33 Ca 0.29 -0.05 0.30 0.00 0.07 0.00 0.00 59.98 60.59 2em5 h ARG 33 Cb 2.24 -0.17 -0.04 0.00 0.08 0.00 0.00 29.97 32.08 2em5 h ARG 33 CO -0.00 0.50 0.78 -0.84 -1.07 0.00 0.00 179.97 179.34 2em5 h ILE 34 N 0.78 0.42 0.02 2.04 3.07 -0.39 0.14 117.51 123.59 2em5 h ILE 34 Ca 0.43 0.00 -0.34 0.00 1.55 0.00 0.00 64.86 66.50 2em5 h ILE 34 Cb 0.47 0.45 -0.05 0.00 -0.27 0.00 0.00 36.82 37.41 2em5 h ILE 34 CO -0.28 0.00 -2.08 1.41 -1.05 0.00 0.00 178.15 176.15 2em5 n HIS 35 N -4.11 0.60 -1.67 0.16 8.25 0.04 -4.91 115.22 113.57 2em5 n HIS 35 Ca 0.22 0.18 -0.44 0.00 -0.26 0.00 0.00 57.72 57.43 2em5 n HIS 35 Cb 1.13 -1.10 -0.03 0.00 1.12 0.00 0.00 29.99 31.11 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 -3.06 0.59 -2.25 1.59 -1.04 0.50 -4.11 114.28 106.51 2em5 n THR 36 Ca -0.29 -0.11 -0.03 0.00 -2.04 0.00 0.00 64.05 61.59 2em5 n THR 36 Cb 1.08 -2.13 -0.03 0.00 -1.82 0.00 0.00 70.33 67.43 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 4.38 -4.38 3.46 3.41 0.00 -1.26 -4.88 105.19 105.93 2em5 n GLY 37 Ca 0.20 0.91 -0.44 0.00 0.00 0.00 0.00 46.02 46.69 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 -0.85 4.02 -0.56 1.61 -1.05 -1.26 -4.86 118.70 115.75 2em5 s GLU 38 Ca -0.15 -2.45 0.06 0.00 -0.15 0.00 0.00 54.97 52.28 2em5 s GLU 38 Cb 0.01 -5.05 0.20 0.00 -0.44 0.00 0.00 34.13 28.85 2em5 s GLU 38 CO 0.53 -1.78 0.52 1.17 0.95 0.00 0.00 175.26 176.65 2em5 n LYS 39 N 5.85 1.38 -2.24 -4.83 4.81 -1.26 -5.10 118.16 116.77 2em5 n LYS 39 Ca 0.35 -3.97 -0.41 0.00 -0.87 0.00 0.00 58.31 53.41 2em5 n LYS 39 Cb 0.44 -1.93 -0.03 0.00 0.02 0.00 0.00 35.03 33.53 2em5 n LYS 39 CO 0.00 0.00 0.00 -1.25 1.17 0.00 0.00 177.40 177.32 2em5 s PRO 40 N -1.27 4.42 -0.40 1.64 0.04 -1.26 -5.01 135.00 133.16 2em5 s PRO 40 Ca 0.32 2.05 -0.09 0.00 0.04 0.00 0.00 61.00 63.32 2em5 s PRO 40 Cb 0.06 -3.16 0.06 0.00 0.04 0.00 0.00 34.50 31.50 2em5 s PRO 40 CO -0.13 -0.16 0.23 0.45 0.04 0.00 0.00 177.00 177.43 2em5 s SER 41 N -0.06 5.62 0.21 6.66 0.15 -1.26 -4.96 113.70 120.06 2em5 s SER 41 Ca 0.53 -1.35 0.00 0.00 0.70 0.00 0.00 55.95 55.83 2em5 s SER 41 Cb -0.36 -1.98 0.00 0.00 -1.71 0.00 0.00 66.02 61.97 2em5 s SER 41 CO 0.42 -0.48 0.00 0.61 1.20 0.00 0.00 173.24 175.00 2em5 n GLY 42 N 4.92 -3.54 3.77 9.45 0.00 -1.26 -4.97 105.19 113.56 2em5 n GLY 42 Ca -0.11 -1.02 -0.32 0.00 0.00 0.00 0.00 46.02 44.57 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 -4.96 2.39 -0.20 1.61 0.04 -1.26 -5.07 135.00 127.55 2em5 s PRO 43 Ca 0.00 1.23 -0.26 0.00 0.04 0.00 0.00 61.00 62.01 2em5 s PRO 43 Cb 0.00 -1.91 0.07 0.00 0.04 0.00 0.00 34.50 32.70 2em5 s PRO 43 CO 0.00 -1.55 0.70 0.45 0.04 0.00 0.00 177.00 176.65 2em5 s SER 44 N -3.17 -0.72 0.23 6.66 0.15 -1.26 -5.16 113.70 110.43 2em5 s SER 44 Ca 0.63 1.22 -0.25 0.00 0.70 0.00 0.00 55.95 58.25 2em5 s SER 44 Cb -0.18 1.19 -0.09 0.00 -1.71 0.00 0.00 66.02 65.23 2em5 s SER 44 CO 0.52 -0.35 0.84 -0.44 1.20 0.00 0.00 173.24 175.01 2em5 s SER 45 N -0.08 7.37 0.00 5.45 0.01 -1.26 -5.26 113.70 119.93 2em5 s SER 45 Ca -0.03 1.71 0.00 0.00 1.31 0.00 0.00 55.95 58.94 2em5 s SER 45 Cb -0.04 -2.52 0.00 0.00 0.21 0.00 0.00 66.02 63.67 2em5 s SER 45 CO 0.04 0.10 0.00 0.61 0.41 0.00 0.00 173.24 174.40