#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ytm s SER 2 N 0.00 3.79 -0.23 1.61 0.15 -1.26 -5.09 113.70 112.68 2ytm s SER 2 Ca 0.00 -2.04 -0.13 0.00 0.70 0.00 0.00 55.95 54.49 2ytm s SER 2 Cb 0.00 -0.87 0.07 0.00 -1.71 0.00 0.00 66.02 63.51 2ytm s SER 2 CO 0.00 -0.35 0.56 -0.44 1.20 0.00 0.00 173.24 174.20 2ytm s SER 3 N 1.12 -0.74 0.00 5.45 0.01 -1.26 -5.14 113.70 113.15 2ytm s SER 3 Ca 0.13 1.22 0.00 0.00 1.31 0.00 0.00 55.95 58.61 2ytm s SER 3 Cb -0.20 1.11 0.00 0.00 0.21 0.00 0.00 66.02 67.14 2ytm s SER 3 CO -0.14 -0.22 0.00 0.61 0.41 0.00 0.00 173.24 173.91 2ytm n GLY 4 N 4.32 0.61 3.03 3.44 0.00 -1.26 -5.05 105.19 110.28 2ytm n GLY 4 Ca -0.21 -2.00 -0.11 0.00 0.00 0.00 0.00 46.02 43.70 2ytm n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2ytm s SER 5 N -4.00 0.21 0.34 1.61 1.04 -1.26 -5.16 113.70 106.48 2ytm s SER 5 Ca 0.00 0.51 0.06 0.00 0.48 0.00 0.00 55.95 57.00 2ytm s SER 5 Cb 0.00 1.03 -0.07 0.00 0.10 0.00 0.00 66.02 67.08 2ytm s SER 5 CO 0.00 -0.27 0.01 -0.44 0.98 0.00 0.00 173.24 173.52 2ytm s SER 6 N 2.52 3.01 -0.60 7.02 0.01 -1.26 -5.05 113.70 119.36 2ytm s SER 6 Ca 0.05 -1.32 -0.36 0.00 1.31 0.00 0.00 55.95 55.63 2ytm s SER 6 Cb -0.14 -0.22 -0.17 0.00 0.21 0.00 0.00 66.02 65.71 2ytm s SER 6 CO -0.13 -0.47 2.34 0.61 0.41 0.00 0.00 173.24 176.00 2ytm n GLY 7 N -0.75 -0.04 3.13 3.44 0.00 -1.26 -4.89 105.19 104.82 2ytm n GLY 7 Ca -0.04 1.04 -0.11 0.00 0.00 0.00 0.00 46.02 46.91 2ytm n GLY 7 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2ytm s THR 8 N 7.77 -0.43 -0.28 2.61 -1.32 -1.26 -5.15 115.64 117.58 2ytm s THR 8 Ca 1.20 0.21 -0.22 0.00 -1.21 0.00 0.00 61.69 61.67 2ytm s THR 8 Cb -1.14 -0.53 0.13 0.00 -1.51 0.00 0.00 72.50 69.45 2ytm s THR 8 CO 0.53 0.09 1.01 -0.83 -2.21 0.00 0.00 174.62 173.21 2ytm s GLY 9 N 2.29 -0.11 -0.32 6.08 0.00 -1.26 -5.06 107.32 108.95 2ytm s GLY 9 Ca -0.02 2.83 0.12 0.00 0.00 0.00 0.00 44.72 47.65 2ytm s GLY 9 CO -0.10 2.08 1.13 -1.84 0.00 0.00 0.00 173.10 174.37 2ytm n GLU 10 N 2.72 2.86 -1.54 2.90 0.00 -1.26 -5.09 120.64 121.23 2ytm n GLU 10 Ca -0.14 -3.98 -0.42 0.00 0.00 0.00 0.00 57.16 52.61 2ytm n GLU 10 Cb 0.56 -2.00 0.01 0.00 0.00 0.00 0.00 31.44 30.01 2ytm n GLU 10 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 2ytm n LYS 11 N -0.57 0.99 -0.07 3.44 5.02 -1.26 -4.91 118.16 120.80 2ytm n LYS 11 Ca 0.30 0.35 -0.13 0.00 -2.02 0.00 0.00 58.31 56.82 2ytm n LYS 11 Cb 0.85 -1.77 -0.06 0.00 -0.02 0.00 0.00 35.03 34.03 2ytm n LYS 11 CO 0.00 0.00 0.00 -1.00 -0.52 0.00 0.00 177.40 175.88 2ytm h PRO 12 N 1.27 0.48 -1.91 1.97 0.13 -2.01 -3.21 132.00 128.72 2ytm h PRO 12 Ca -0.42 -0.25 -0.17 0.00 -0.87 0.00 0.00 66.00 64.29 2ytm h PRO 12 Cb 1.37 0.01 -0.07 0.00 0.13 0.00 0.00 31.00 32.44 2ytm h PRO 12 CO 0.55 0.83 0.02 2.48 -0.23 0.00 0.00 178.00 181.64 2ytm n TYR 13 N -4.45 0.47 -4.00 1.56 0.18 -1.26 -4.82 117.16 104.83 2ytm n TYR 13 Ca -0.05 -1.43 -0.11 0.00 1.88 0.00 0.00 57.90 58.19 2ytm n TYR 13 Cb 0.40 -0.99 -0.12 0.00 -0.38 0.00 0.00 39.34 38.26 2ytm n TYR 13 CO 0.00 0.00 0.00 0.21 -2.08 0.00 0.00 176.86 174.99 2ytm s LYS 14 N -0.26 0.36 -0.27 -3.48 2.20 -1.21 -4.94 119.74 112.13 2ytm s LYS 14 Ca 0.31 -0.58 -0.35 0.00 -0.36 0.00 0.00 55.97 54.99 2ytm s LYS 14 Cb 0.18 -0.05 -0.11 0.00 -1.51 0.00 0.00 37.83 36.34 2ytm s LYS 14 CO -0.03 -0.01 2.08 0.00 -0.36 0.00 0.00 175.35 177.04 2ytm n MET 16 N 7.67 2.22 -0.04 0.00 0.00 -1.26 -2.31 117.12 123.40 2ytm n MET 16 Ca 0.34 -1.88 -0.16 0.00 0.00 0.00 0.00 57.70 56.00 2ytm n MET 16 Cb 0.26 -1.41 -0.14 0.00 0.00 0.00 0.00 33.22 31.93 2ytm n MET 16 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 175.97 176.36 2ytm n GLU 17 N 1.03 0.70 0.00 0.03 4.71 -1.26 -4.81 120.64 121.03 2ytm n GLU 17 Ca 0.17 0.22 0.00 0.00 -0.01 0.00 0.00 57.16 57.54 2ytm n GLU 17 Cb 0.44 -1.68 0.00 0.00 -1.01 0.00 0.00 31.44 29.20 2ytm n GLU 17 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 2ytm n GLY 19 N 2.26 0.70 2.04 0.00 0.00 -0.98 -5.11 105.19 104.10 2ytm n GLY 19 Ca 0.00 -0.74 -0.11 0.00 0.00 0.00 0.00 46.02 45.17 2ytm n GLY 19 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2ytm n LYS 20 N 0.00 0.85 -3.66 1.61 4.76 -1.26 -5.02 118.16 115.45 2ytm n LYS 20 Ca 0.00 -1.68 -0.19 0.00 -2.87 0.00 0.00 58.31 53.57 2ytm n LYS 20 Cb 0.00 -0.06 -0.17 0.00 -1.84 0.00 0.00 35.03 32.96 2ytm n LYS 20 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2ytm s ALA 21 N -2.38 0.08 0.18 7.82 0.00 -1.26 -4.54 121.76 121.66 2ytm s ALA 21 Ca 0.29 0.30 0.01 0.00 0.00 0.00 0.00 51.96 52.56 2ytm s ALA 21 Cb -0.02 -0.73 -0.05 0.00 0.00 0.00 0.00 23.12 22.32 2ytm s ALA 21 CO 0.18 -0.57 0.02 -0.06 0.00 0.00 0.00 175.76 175.32 2ytm s PHE 22 N 2.22 1.20 -0.14 0.00 0.08 -1.26 -5.10 117.98 114.98 2ytm s PHE 22 Ca 0.04 -1.06 -0.09 0.00 0.12 0.00 0.00 56.93 55.94 2ytm s PHE 22 Cb -0.12 -0.68 -0.04 0.00 -0.57 0.00 0.00 43.02 41.60 2ytm s PHE 22 CO -0.05 -0.26 -0.13 0.78 -0.10 0.00 0.00 175.22 175.47 2ytm h GLY 23 N 2.69 0.00 -5.32 4.36 0.00 -2.01 -3.48 103.07 99.31 2ytm h GLY 23 Ca -0.37 0.00 -0.65 0.00 0.00 0.00 0.00 47.33 46.32 2ytm h GLY 23 CO 0.62 0.00 -0.45 0.99 0.00 0.00 0.00 176.54 177.70 2ytm s ASP 24 N -5.80 6.43 0.20 0.19 1.11 -1.26 -5.01 116.67 112.53 2ytm s ASP 24 Ca -0.14 0.48 -0.11 0.00 0.18 0.00 0.00 52.55 52.96 2ytm s ASP 24 Cb 0.02 -2.06 0.13 0.00 1.07 0.00 0.00 42.92 42.08 2ytm s ASP 24 CO 0.23 0.32 1.83 0.78 1.18 0.00 0.00 175.17 179.51 2ytm h ASN 25 N 4.37 0.87 -0.87 0.27 2.35 -1.93 -2.86 115.58 117.78 2ytm h ASN 25 Ca -0.52 -0.08 0.24 0.00 -0.55 0.00 0.00 56.30 55.39 2ytm h ASN 25 Cb 1.21 -0.22 -0.16 0.00 0.05 0.00 0.00 38.32 39.20 2ytm h ASN 25 CO 0.63 0.70 0.01 -0.24 -1.65 0.00 0.00 177.43 176.89 2ytm n SER 26 N -4.51 -0.11 0.11 5.81 2.88 -1.26 0.33 113.62 116.87 2ytm n SER 26 Ca 0.06 1.48 -0.13 0.00 -1.33 0.00 0.00 58.87 58.95 2ytm n SER 26 Cb 0.08 -0.54 -0.08 0.00 -0.75 0.00 0.00 64.21 62.92 2ytm n SER 26 CO 0.00 0.00 0.00 -1.28 -1.23 0.00 0.00 175.04 172.53 2ytm h SER 27 N 0.00 -0.22 -0.50 -3.46 0.87 -1.93 -3.16 113.55 105.14 2ytm h SER 27 Ca 0.52 -0.20 0.07 0.00 -1.23 0.00 0.00 61.79 60.96 2ytm h SER 27 Cb 1.07 0.06 -0.10 0.00 -0.44 0.00 0.00 62.40 63.00 2ytm h SER 27 CO -0.82 0.09 -0.46 0.00 -0.53 0.00 0.00 176.83 175.10 2ytm h THR 29 N -0.29 0.36 0.09 0.00 1.35 -1.26 0.63 112.91 113.79 2ytm h THR 29 Ca 0.14 -0.08 -0.26 0.00 -0.55 0.00 0.00 66.41 65.67 2ytm h THR 29 Cb 0.57 0.12 -0.01 0.00 -1.73 0.00 0.00 68.15 67.11 2ytm h THR 29 CO -0.64 0.04 -1.21 1.56 -0.25 0.00 0.00 175.52 175.02 2ytm h GLN 30 N 0.22 0.19 -0.73 4.72 1.08 -0.30 -3.28 115.11 117.01 2ytm h GLN 30 Ca 0.67 -0.33 0.13 0.00 -1.45 0.00 0.00 58.65 57.68 2ytm h GLN 30 Cb 2.04 0.12 -0.05 0.00 -0.05 0.00 0.00 27.48 29.55 2ytm h GLN 30 CO -0.28 1.14 0.49 1.25 -0.95 0.00 0.00 178.83 180.47 2ytm h HIS 31 N 0.05 0.51 0.00 2.96 -0.00 0.31 0.38 115.15 119.36 2ytm h HIS 31 Ca -0.11 0.01 0.00 0.00 -0.00 0.00 0.00 60.37 60.27 2ytm h HIS 31 Cb 1.92 -0.16 0.00 0.00 -0.00 0.00 0.00 27.41 29.17 2ytm h HIS 31 CO 0.05 0.21 0.37 -0.56 -0.00 0.00 0.00 177.93 177.99 2ytm h GLN 32 N 0.45 0.00 -0.16 5.26 -0.00 -1.53 0.38 115.11 119.52 2ytm h GLN 32 Ca 0.35 0.00 -0.13 0.00 -0.00 0.00 0.00 58.65 58.87 2ytm h GLN 32 Cb 0.75 0.00 -0.01 0.00 -0.00 0.00 0.00 27.48 28.22 2ytm h GLN 32 CO -0.12 0.00 -0.47 0.00 -0.00 0.00 0.00 178.83 178.25 2ytm h ARG 33 N 0.00 0.39 0.00 0.06 2.47 -1.15 -2.83 114.38 113.33 2ytm h ARG 33 Ca 0.00 -0.22 -0.04 0.00 -1.26 0.00 0.00 59.98 58.46 2ytm h ARG 33 Cb 0.74 0.01 -0.01 0.00 -1.65 0.00 0.00 29.97 29.07 2ytm h ARG 33 CO 0.00 0.78 -0.20 -0.07 0.56 0.00 0.00 179.97 181.04 2ytm h LEU 34 N 0.32 0.00 -1.22 3.04 3.38 -0.42 -2.09 115.31 118.32 2ytm h LEU 34 Ca 0.02 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.94 2ytm h LEU 34 Cb 0.94 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.69 2ytm h LEU 34 CO 0.08 0.20 -0.25 0.45 0.09 0.00 0.00 178.44 179.01 2ytm h HIS 35 N 0.00 0.00 -1.46 1.13 3.86 -1.57 -3.45 115.15 113.65 2ytm h HIS 35 Ca -0.00 0.00 -0.65 0.00 -1.16 0.00 0.00 60.37 58.56 2ytm h HIS 35 Cb 0.47 0.00 0.11 0.00 1.06 0.00 0.00 27.41 29.06 2ytm h HIS 35 CO 0.00 0.25 -0.38 -2.37 0.86 0.00 0.00 177.93 176.29 2ytm n THR 36 N -3.50 1.92 -2.38 2.45 5.66 -0.79 -4.54 114.28 113.10 2ytm n THR 36 Ca -0.00 -0.50 0.00 0.00 -3.05 0.00 0.00 64.05 60.50 2ytm n THR 36 Cb 0.41 -0.27 0.00 0.00 -1.55 0.00 0.00 70.33 68.92 2ytm n THR 36 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2ytm n GLY 37 N 1.81 -0.78 4.01 1.09 0.00 -1.26 -4.95 105.19 105.11 2ytm n GLY 37 Ca 0.15 -1.47 -0.20 0.00 0.00 0.00 0.00 46.02 44.50 2ytm n GLY 37 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2ytm s GLN 38 N 0.00 2.31 0.20 1.61 -2.07 -1.26 -5.09 119.66 115.35 2ytm s GLN 38 Ca 0.00 -1.33 -0.19 0.00 -1.82 0.00 0.00 55.36 52.02 2ytm s GLN 38 Cb 0.00 -2.58 -0.08 0.00 -1.09 0.00 0.00 33.01 29.26 2ytm s GLN 38 CO 0.00 -0.84 0.69 1.03 -1.32 0.00 0.00 175.29 174.85 2ytm s ARG 39 N -4.71 4.23 0.00 9.60 0.52 -1.26 -4.95 118.95 122.37 2ytm s ARG 39 Ca 0.61 0.82 0.15 0.00 -0.52 0.00 0.00 55.73 56.79 2ytm s ARG 39 Cb -0.07 -2.94 0.70 0.00 0.52 0.00 0.00 34.95 33.16 2ytm s ARG 39 CO 0.39 0.44 1.43 -0.35 0.02 0.00 0.00 175.30 177.22 2ytm n PRO 40 N 0.86 0.13 -0.38 3.54 -0.04 -1.26 -3.91 135.00 133.95 2ytm n PRO 40 Ca -0.04 0.19 -0.10 0.00 -0.04 0.00 0.00 63.50 63.51 2ytm n PRO 40 Cb 0.51 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 32.38 2ytm n PRO 40 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2ytm n SER 41 N -1.36 -0.96 0.00 3.54 7.64 -1.26 -4.90 113.62 116.32 2ytm n SER 41 Ca 0.06 1.68 0.00 0.00 1.01 0.00 0.00 58.87 61.62 2ytm n SER 41 Cb 0.14 -0.25 0.00 0.00 -1.01 0.00 0.00 64.21 63.09 2ytm n SER 41 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2ytm n GLY 42 N -1.23 2.98 3.69 0.23 0.00 -1.25 -5.09 105.19 104.52 2ytm n GLY 42 Ca 0.02 -0.63 -0.42 0.00 0.00 0.00 0.00 46.02 44.98 2ytm n GLY 42 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2ytm s PRO 43 N 0.00 4.28 0.03 1.61 0.04 -1.26 -5.02 135.00 134.68 2ytm s PRO 43 Ca 0.00 2.02 0.01 0.00 0.04 0.00 0.00 61.00 63.07 2ytm s PRO 43 Cb 0.00 -3.54 -0.02 0.00 0.04 0.00 0.00 34.50 30.97 2ytm s PRO 43 CO 0.00 -0.58 -0.05 0.45 0.04 0.00 0.00 177.00 176.86 2ytm s SER 44 N 1.87 0.55 -1.35 6.66 0.15 -1.26 -4.85 113.70 115.46 2ytm s SER 44 Ca 0.65 -0.55 -0.08 0.00 0.70 0.00 0.00 55.95 56.67 2ytm s SER 44 Cb -0.33 0.07 0.02 0.00 -1.71 0.00 0.00 66.02 64.07 2ytm s SER 44 CO 0.28 -0.27 1.11 -1.20 1.20 0.00 0.00 173.24 174.35 2ytm n SER 45 N 1.44 -5.20 0.00 5.45 7.64 -1.26 -5.29 113.62 116.40 2ytm n SER 45 Ca -0.23 -0.60 0.00 0.00 1.01 0.00 0.00 58.87 59.05 2ytm n SER 45 Cb 0.55 -4.86 0.00 0.00 -1.01 0.00 0.00 64.21 58.89 2ytm n SER 45 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64