#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yrh n SER 2 N 0.00 -0.61 -4.81 1.61 2.88 -1.26 -4.26 113.62 107.17 2yrh n SER 2 Ca 0.00 1.57 -0.37 0.00 -1.33 0.00 0.00 58.87 58.73 2yrh n SER 2 Cb 0.00 -0.35 -0.06 0.00 -0.75 0.00 0.00 64.21 63.05 2yrh n SER 2 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2yrh s SER 3 N -5.33 7.11 0.00 -3.46 0.15 -1.26 -5.07 113.70 105.84 2yrh s SER 3 Ca -0.12 1.39 0.00 0.00 0.70 0.00 0.00 55.95 57.91 2yrh s SER 3 Cb 0.18 -2.41 0.00 0.00 -1.71 0.00 0.00 66.02 62.08 2yrh s SER 3 CO 0.64 0.15 0.00 0.61 1.20 0.00 0.00 173.24 175.84 2yrh n GLY 4 N 1.21 1.08 3.19 9.45 0.00 -1.26 -5.09 105.19 113.78 2yrh n GLY 4 Ca -0.06 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.78 2yrh n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2yrh s SER 5 N -1.00 1.75 -0.18 1.61 0.15 -1.26 -4.89 113.70 109.89 2yrh s SER 5 Ca 0.00 -0.69 -0.18 0.00 0.70 0.00 0.00 55.95 55.79 2yrh s SER 5 Cb 0.00 -0.05 -0.21 0.00 -1.71 0.00 0.00 66.02 64.05 2yrh s SER 5 CO 0.00 -0.11 0.28 0.28 1.20 0.00 0.00 173.24 174.89 2yrh h SER 6 N 4.02 0.13 -0.68 5.45 0.02 -2.00 -3.47 113.55 117.02 2yrh h SER 6 Ca -0.40 -0.65 0.06 0.00 -0.84 0.00 0.00 61.79 59.96 2yrh h SER 6 Cb 1.19 -0.04 -0.19 0.00 0.14 0.00 0.00 62.40 63.50 2yrh h SER 6 CO 0.44 1.59 -0.27 -0.83 -1.14 0.00 0.00 176.83 176.61 2yrh s GLY 7 N -5.03 -1.26 0.48 -3.77 0.00 -1.26 -5.01 107.32 91.46 2yrh s GLY 7 Ca -0.27 1.05 0.31 0.00 0.00 0.00 0.00 44.72 45.81 2yrh s GLY 7 CO 0.65 3.90 1.73 0.07 0.00 0.00 0.00 173.10 179.45 2yrh h LYS 8 N 6.96 0.13 -7.00 2.90 2.10 -2.03 -3.40 116.57 116.24 2yrh h LYS 8 Ca -0.01 -0.01 -0.48 0.00 -2.00 0.00 0.00 60.65 58.15 2yrh h LYS 8 Cb 1.19 -0.03 0.01 0.00 -0.90 0.00 0.00 32.23 32.50 2yrh h LYS 8 CO 0.04 0.09 0.24 0.15 -2.00 0.00 0.00 179.45 177.97 2yrh s LYS 9 N -5.18 3.90 0.79 0.07 1.02 -1.26 -5.06 119.74 114.02 2yrh s LYS 9 Ca -0.07 0.74 -0.11 0.00 0.02 0.00 0.00 55.97 56.56 2yrh s LYS 9 Cb 0.26 -2.27 0.07 0.00 -0.52 0.00 0.00 37.83 35.37 2yrh s LYS 9 CO 0.82 -0.13 1.09 -1.25 -0.92 0.00 0.00 175.35 174.96 2yrh s PRO 10 N -3.84 2.08 -0.48 -1.68 0.04 -1.26 -5.00 135.00 124.86 2yrh s PRO 10 Ca 0.56 1.11 -0.16 0.00 0.04 0.00 0.00 61.00 62.54 2yrh s PRO 10 Cb -0.10 -1.88 0.07 0.00 0.04 0.00 0.00 34.50 32.63 2yrh s PRO 10 CO 0.29 -1.75 0.45 -0.51 0.04 0.00 0.00 177.00 175.52 2yrh s LEU 11 N -5.98 5.47 -0.02 -3.56 1.43 -1.26 -4.99 118.68 109.78 2yrh s LEU 11 Ca 0.62 -1.23 0.07 0.00 -1.03 0.00 0.00 54.13 52.56 2yrh s LEU 11 Cb -0.17 -2.25 -0.02 0.00 0.03 0.00 0.00 46.19 43.78 2yrh s LEU 11 CO 0.56 -0.71 -0.24 0.54 0.23 0.00 0.00 176.35 176.73 2yrh s VAL 12 N 1.88 1.92 -0.10 -1.59 0.11 -1.26 0.39 120.40 121.75 2yrh s VAL 12 Ca 0.07 -1.04 -0.29 0.00 -2.93 0.00 0.00 61.98 57.79 2yrh s VAL 12 Cb -0.23 -1.59 -0.04 0.00 -1.53 0.00 0.00 36.38 32.99 2yrh s VAL 12 CO 0.08 0.54 1.58 0.00 -3.33 0.00 0.00 175.10 173.97 2yrh h ASN 14 N 9.45 0.00 -0.20 0.00 -1.07 -1.96 2.29 115.58 124.09 2yrh h ASN 14 Ca -0.36 0.00 -0.14 0.00 0.07 0.00 0.00 56.30 55.87 2yrh h ASN 14 Cb 1.16 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.41 2yrh h ASN 14 CO 0.96 0.00 -0.41 -0.33 0.07 0.00 0.00 177.43 177.72 2yrh h GLU 15 N 0.00 0.64 0.00 4.14 5.08 -1.99 -3.40 114.58 119.05 2yrh h GLU 15 Ca 0.00 -0.41 -0.04 0.00 -1.00 0.00 0.00 59.36 57.90 2yrh h GLU 15 Cb 0.59 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.89 2yrh h GLU 15 CO 0.00 1.03 -1.17 0.00 -1.00 0.00 0.00 179.01 177.87 2yrh n GLY 17 N 3.26 0.90 3.41 0.00 0.00 0.77 -5.03 105.19 108.49 2yrh n GLY 17 Ca -0.05 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.62 2yrh n GLY 17 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2yrh s LYS 18 N 0.20 3.54 0.63 1.61 2.20 -1.17 -4.79 119.74 121.95 2yrh s LYS 18 Ca 0.00 -0.56 -0.13 0.00 -0.36 0.00 0.00 55.97 54.92 2yrh s LYS 18 Cb 0.00 -3.01 -0.03 0.00 -1.51 0.00 0.00 37.83 33.28 2yrh s LYS 18 CO 0.00 -0.01 1.04 0.95 -0.36 0.00 0.00 175.35 176.97 2yrh s THR 19 N 1.03 4.16 0.23 3.43 -4.23 -1.26 -0.28 115.64 118.72 2yrh s THR 19 Ca 0.01 0.84 -0.03 0.00 -1.18 0.00 0.00 61.69 61.33 2yrh s THR 19 Cb -0.14 -3.53 -0.03 0.00 1.34 0.00 0.00 72.50 70.14 2yrh s THR 19 CO 0.01 -0.79 0.24 -0.36 -0.54 0.00 0.00 174.62 173.19 2yrh s PHE 20 N -2.84 1.01 -0.05 3.99 0.40 0.16 -4.91 117.98 115.74 2yrh s PHE 20 Ca 0.59 -1.24 -0.08 0.00 -0.60 0.00 0.00 56.93 55.60 2yrh s PHE 20 Cb -0.13 -0.37 -0.04 0.00 0.51 0.00 0.00 43.02 42.98 2yrh s PHE 20 CO 0.46 -0.77 0.36 0.00 0.70 0.00 0.00 175.22 175.98 2yrh h ARG 21 N 2.47 -0.27 -4.85 0.44 3.08 -1.97 -3.35 114.38 109.92 2yrh h ARG 21 Ca -0.32 0.02 -0.36 0.00 0.07 0.00 0.00 59.98 59.38 2yrh h ARG 21 Cb 1.25 0.06 -0.14 0.00 0.08 0.00 0.00 29.97 31.22 2yrh h ARG 21 CO 0.47 -0.18 -0.59 1.14 -1.07 0.00 0.00 179.97 179.73 2yrh s GLN 22 N -2.46 1.46 0.06 0.04 -2.07 -1.26 -4.75 119.66 110.68 2yrh s GLN 22 Ca -0.04 -1.81 -0.18 0.00 -1.82 0.00 0.00 55.36 51.51 2yrh s GLN 22 Cb 0.00 -0.13 -0.07 0.00 -1.09 0.00 0.00 33.01 31.73 2yrh s GLN 22 CO 0.12 -0.37 1.29 0.66 -1.32 0.00 0.00 175.29 175.68 2yrh h SER 23 N 2.34 -0.91 -0.89 12.60 4.64 -1.96 -0.13 113.55 129.24 2yrh h SER 23 Ca -0.36 0.11 0.32 0.00 -0.47 0.00 0.00 61.79 61.39 2yrh h SER 23 Cb 1.25 0.35 -0.10 0.00 -0.31 0.00 0.00 62.40 63.59 2yrh h SER 23 CO 0.56 -0.27 0.56 -1.54 -0.87 0.00 0.00 176.83 175.27 2yrh n SER 24 N -4.09 0.16 0.03 4.97 3.41 -1.26 0.19 113.62 117.02 2yrh n SER 24 Ca -0.03 0.98 -0.02 0.00 -0.26 0.00 0.00 58.87 59.54 2yrh n SER 24 Cb 0.21 -0.48 -0.01 0.00 -0.26 0.00 0.00 64.21 63.66 2yrh n SER 24 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2yrh h LEU 26 N -0.62 -0.54 0.20 0.00 5.85 0.43 -2.45 115.31 118.18 2yrh h LEU 26 Ca -0.01 0.16 0.00 0.00 0.84 0.00 0.00 57.88 58.87 2yrh h LEU 26 Cb 0.10 0.34 -0.03 0.00 0.37 0.00 0.00 40.66 41.44 2yrh h LEU 26 CO 0.02 -0.19 -0.39 -1.28 -0.34 0.00 0.00 178.44 176.26 2yrh h SER 27 N -0.03 -1.14 -1.06 1.25 0.87 -0.42 0.72 113.55 113.75 2yrh h SER 27 Ca 0.24 0.11 0.31 0.00 -1.23 0.00 0.00 61.79 61.22 2yrh h SER 27 Cb 0.40 0.40 -0.04 0.00 -0.44 0.00 0.00 62.40 62.72 2yrh h SER 27 CO -0.53 -0.45 1.06 0.07 -0.53 0.00 0.00 176.83 176.44 2yrh h LYS 28 N -0.64 0.00 0.00 2.24 5.09 -1.24 1.59 116.57 123.61 2yrh h LYS 28 Ca -0.02 0.00 -0.28 0.00 0.09 0.00 0.00 60.65 60.44 2yrh h LYS 28 Cb 0.60 0.00 -0.05 0.00 0.10 0.00 0.00 32.23 32.88 2yrh h LYS 28 CO -0.15 0.00 -1.92 1.58 -2.09 0.00 0.00 179.45 176.86 2yrh n HIS 29 N -3.52 0.57 0.29 0.07 -0.00 -0.09 -4.04 115.22 108.51 2yrh n HIS 29 Ca 0.23 0.20 0.14 0.00 0.46 0.00 0.00 57.72 58.76 2yrh n HIS 29 Cb 1.39 -1.06 0.67 0.00 -0.12 0.00 0.00 29.99 30.87 2yrh n HIS 29 CO 0.00 0.00 0.00 1.96 0.46 0.00 0.00 176.34 178.76 2yrh h GLN 30 N 0.00 0.00 -0.00 1.57 1.08 0.85 -0.90 115.11 117.71 2yrh h GLN 30 Ca -0.35 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.85 2yrh h GLN 30 Cb 1.97 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 29.40 2yrh h GLN 30 CO 0.05 0.00 -0.11 2.89 -0.95 0.00 0.00 178.83 180.72 2yrh n ARG 31 N -2.53 0.15 0.16 1.46 1.85 -0.84 -3.40 116.66 113.51 2yrh n ARG 31 Ca -0.00 -0.03 0.03 0.00 -1.00 0.00 0.00 57.85 56.85 2yrh n ARG 31 Cb 0.16 -1.50 0.24 0.00 -1.05 0.00 0.00 32.46 30.30 2yrh n ARG 31 CO 0.00 0.00 0.00 -0.84 -0.01 0.00 0.00 177.63 176.78 2yrh h ILE 32 N 0.08 1.02 0.10 8.89 3.07 -1.38 -2.00 117.51 127.29 2yrh h ILE 32 Ca 0.00 -1.84 -0.36 0.00 1.55 0.00 0.00 64.86 64.20 2yrh h ILE 32 Cb 0.45 2.09 -0.03 0.00 -0.27 0.00 0.00 36.82 39.07 2yrh h ILE 32 CO 0.00 0.46 -2.06 1.41 -1.05 0.00 0.00 178.15 176.91 2yrh n HIS 33 N -3.52 1.03 1.12 0.16 8.25 -1.22 -4.05 115.22 117.00 2yrh n HIS 33 Ca -0.00 0.23 0.03 0.00 -0.26 0.00 0.00 57.72 57.72 2yrh n HIS 33 Cb 0.59 -1.14 0.10 0.00 1.12 0.00 0.00 29.99 30.66 2yrh n HIS 33 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 2yrh n SER 34 N -3.41 1.43 0.00 0.41 3.41 -1.22 -4.76 113.62 109.48 2yrh n SER 34 Ca -0.33 -2.06 0.00 0.00 -0.26 0.00 0.00 58.87 56.22 2yrh n SER 34 Cb 1.04 -0.23 0.00 0.00 -0.26 0.00 0.00 64.21 64.76 2yrh n SER 34 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2yrh n GLY 35 N 0.71 1.07 3.95 5.00 0.00 -0.75 -5.02 105.19 110.14 2yrh n GLY 35 Ca 0.08 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.86 2yrh n GLY 35 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2yrh s GLU 36 N 3.49 2.42 0.02 1.61 8.01 -1.26 -5.07 118.70 127.92 2yrh s GLU 36 Ca 0.00 -0.45 -0.13 0.00 0.01 0.00 0.00 54.97 54.40 2yrh s GLU 36 Cb 0.00 -2.31 -0.06 0.00 -4.31 0.00 0.00 34.13 27.45 2yrh s GLU 36 CO 0.00 -0.96 0.40 -1.59 0.01 0.00 0.00 175.26 173.12 2yrh s LYS 37 N -5.01 3.85 -0.35 1.61 -2.85 -1.26 -4.80 119.74 110.92 2yrh s LYS 37 Ca 0.58 0.32 -0.28 0.00 -1.00 0.00 0.00 55.97 55.58 2yrh s LYS 37 Cb -0.11 -3.14 -0.01 0.00 -2.06 0.00 0.00 37.83 32.51 2yrh s LYS 37 CO 0.42 0.65 1.70 -1.25 0.10 0.00 0.00 175.35 176.97 2yrh s PRO 38 N -1.35 3.41 0.19 1.78 0.04 -1.26 -4.99 135.00 132.81 2yrh s PRO 38 Ca 0.26 1.32 -0.16 0.00 0.04 0.00 0.00 61.00 62.46 2yrh s PRO 38 Cb -0.16 -4.15 -0.08 0.00 0.04 0.00 0.00 34.50 30.16 2yrh s PRO 38 CO 0.14 -1.77 0.62 0.45 0.04 0.00 0.00 177.00 176.49 2yrh s SER 39 N 5.51 6.89 0.11 6.66 0.15 -1.26 -5.06 113.70 126.69 2yrh s SER 39 Ca 0.75 1.20 -0.25 0.00 0.70 0.00 0.00 55.95 58.35 2yrh s SER 39 Cb -0.20 -2.33 0.08 0.00 -1.71 0.00 0.00 66.02 61.86 2yrh s SER 39 CO 0.34 0.05 1.13 -0.83 1.20 0.00 0.00 173.24 175.12 2yrh s GLY 40 N -1.77 0.01 1.00 9.45 0.00 -1.26 -5.17 107.32 109.58 2yrh s GLY 40 Ca 0.41 -0.18 -0.12 0.00 0.00 0.00 0.00 44.72 44.83 2yrh s GLY 40 CO 0.20 3.42 1.09 2.56 0.00 0.00 0.00 173.10 180.37 2yrh s PRO 41 N -2.14 0.42 0.16 2.90 0.04 -1.26 -4.95 135.00 130.17 2yrh s PRO 41 Ca 0.24 0.53 -0.21 0.00 0.04 0.00 0.00 61.00 61.60 2yrh s PRO 41 Cb -0.02 -1.74 0.05 0.00 0.04 0.00 0.00 34.50 32.84 2yrh s PRO 41 CO 0.03 -2.74 1.64 0.66 0.04 0.00 0.00 177.00 176.63 2yrh h SER 42 N -1.90 -0.68 -5.22 6.66 4.64 -2.05 -3.45 113.55 111.55 2yrh h SER 42 Ca -0.54 0.14 -0.05 0.00 -0.47 0.00 0.00 61.79 60.86 2yrh h SER 42 Cb 1.33 0.34 -0.09 0.00 -0.31 0.00 0.00 62.40 63.67 2yrh h SER 42 CO 0.57 -0.24 -0.10 -0.94 -0.87 0.00 0.00 176.83 175.25 2yrh s SER 43 N -5.08 -0.10 0.00 4.97 1.04 -1.26 -5.31 113.70 107.96 2yrh s SER 43 Ca -0.14 -0.90 0.00 0.00 0.48 0.00 0.00 55.95 55.39 2yrh s SER 43 Cb 0.13 0.59 0.00 0.00 0.10 0.00 0.00 66.02 66.84 2yrh s SER 43 CO 0.69 -1.15 0.13 0.61 0.98 0.00 0.00 173.24 174.50