#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yto n SER 2 N 0.00 2.59 -3.76 1.61 7.64 -1.26 -4.96 113.62 115.48 2yto n SER 2 Ca 0.00 -2.67 -0.26 0.00 1.01 0.00 0.00 58.87 56.95 2yto n SER 2 Cb 0.00 -0.45 0.05 0.00 -1.01 0.00 0.00 64.21 62.79 2yto n SER 2 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2yto n SER 3 N -0.53 -4.27 0.00 6.43 2.88 -1.26 -4.68 113.62 112.19 2yto n SER 3 Ca 0.19 -0.72 0.00 0.00 -1.33 0.00 0.00 58.87 57.01 2yto n SER 3 Cb 0.83 -4.29 0.00 0.00 -0.75 0.00 0.00 64.21 60.00 2yto n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2yto n GLY 4 N -1.71 -2.56 3.58 0.46 0.00 -1.26 -4.92 105.19 98.77 2yto n GLY 4 Ca -0.06 -1.65 -0.40 0.00 0.00 0.00 0.00 46.02 43.92 2yto n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2yto n SER 5 N -0.37 0.55 -4.05 1.61 7.64 -1.26 -4.96 113.62 112.78 2yto n SER 5 Ca 0.00 0.90 -0.34 0.00 1.01 0.00 0.00 58.87 60.45 2yto n SER 5 Cb 0.00 -1.32 -0.12 0.00 -1.01 0.00 0.00 64.21 61.76 2yto n SER 5 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2yto s SER 6 N -0.98 4.90 0.00 6.43 0.01 -1.26 -4.95 113.70 117.85 2yto s SER 6 Ca 0.68 -2.56 0.00 0.00 1.31 0.00 0.00 55.95 55.38 2yto s SER 6 Cb -0.50 -1.75 0.00 0.00 0.21 0.00 0.00 66.02 63.99 2yto s SER 6 CO 0.54 -0.38 0.00 0.61 0.41 0.00 0.00 173.24 174.42 2yto n GLY 7 N 3.81 3.03 3.23 3.44 0.00 -1.26 -5.07 105.19 112.36 2yto n GLY 7 Ca 0.04 -0.30 -0.41 0.00 0.00 0.00 0.00 46.02 45.34 2yto n GLY 7 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2yto s THR 8 N 0.00 5.17 0.00 2.61 -1.32 -1.26 -4.62 115.64 116.22 2yto s THR 8 Ca 0.00 -3.41 0.00 0.00 -1.21 0.00 0.00 61.69 57.07 2yto s THR 8 Cb 0.00 -4.17 0.00 0.00 -1.51 0.00 0.00 72.50 66.82 2yto s THR 8 CO 0.00 -1.10 0.00 0.61 -2.21 0.00 0.00 174.62 171.92 2yto n GLY 9 N 2.81 0.86 3.80 6.08 0.00 -1.26 -5.10 105.19 112.39 2yto n GLY 9 Ca 0.20 -0.79 -0.33 0.00 0.00 0.00 0.00 46.02 45.10 2yto n GLY 9 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2yto s GLU 10 N -1.92 3.31 0.41 1.61 0.41 -1.26 -5.03 118.70 116.23 2yto s GLU 10 Ca 0.00 1.19 -0.19 0.00 -0.41 0.00 0.00 54.97 55.55 2yto s GLU 10 Cb 0.00 -2.03 -0.10 0.00 -1.78 0.00 0.00 34.13 30.21 2yto s GLU 10 CO 0.00 -0.81 0.91 0.15 -0.49 0.00 0.00 175.26 175.01 2yto s LYS 11 N -4.13 4.16 0.11 1.61 3.01 -1.26 -4.99 119.74 118.25 2yto s LYS 11 Ca 0.63 1.00 -0.13 0.00 -1.01 0.00 0.00 55.97 56.46 2yto s LYS 11 Cb -0.16 -2.23 -0.07 0.00 -1.01 0.00 0.00 37.83 34.36 2yto s LYS 11 CO 0.38 -0.01 1.44 -1.00 0.51 0.00 0.00 175.35 176.67 2yto h PRO 12 N 1.90 0.78 -6.36 -1.68 0.13 -1.92 -3.44 132.00 121.41 2yto h PRO 12 Ca -0.49 -0.41 -0.55 0.00 -0.87 0.00 0.00 66.00 63.68 2yto h PRO 12 Cb 1.18 0.02 -0.03 0.00 0.13 0.00 0.00 31.00 32.29 2yto h PRO 12 CO 0.62 1.04 -0.14 0.71 -0.23 0.00 0.00 178.00 180.00 2yto s TYR 13 N -4.37 3.47 -0.30 1.56 2.02 -1.26 -5.06 117.35 113.42 2yto s TYR 13 Ca -0.12 0.87 -0.10 0.00 -0.37 0.00 0.00 57.07 57.35 2yto s TYR 13 Cb 0.09 -2.24 0.17 0.00 -0.40 0.00 0.00 41.96 39.58 2yto s TYR 13 CO 0.85 0.33 0.83 0.21 -1.57 0.00 0.00 175.55 176.20 2yto s LYS 14 N -2.58 0.40 0.33 -0.62 2.47 -1.26 -3.25 119.74 115.24 2yto s LYS 14 Ca 0.44 0.86 -0.28 0.00 -1.56 0.00 0.00 55.97 55.42 2yto s LYS 14 Cb -0.12 0.50 -0.10 0.00 -1.46 0.00 0.00 37.83 36.65 2yto s LYS 14 CO 0.21 -0.29 1.24 0.00 0.16 0.00 0.00 175.35 176.67 2yto n SER 16 N 0.80 0.42 0.17 0.00 2.88 -1.26 -3.11 113.62 113.52 2yto n SER 16 Ca 0.00 0.00 -0.14 0.00 -1.33 0.00 0.00 58.87 57.40 2yto n SER 16 Cb 0.43 1.73 -0.07 0.00 -0.75 0.00 0.00 64.21 65.55 2yto n SER 16 CO 0.00 0.00 0.00 -0.78 -1.23 0.00 0.00 175.04 173.03 2yto h ASP 17 N 0.00 -0.72 0.00 -3.46 1.82 -1.99 -3.39 116.42 108.68 2yto h ASP 17 Ca -0.10 0.07 -0.12 0.00 -0.39 0.00 0.00 57.03 56.49 2yto h ASP 17 Cb 1.15 0.25 -0.02 0.00 0.68 0.00 0.00 39.33 41.39 2yto h ASP 17 CO 0.01 -0.38 -1.43 0.00 -1.61 0.00 0.00 179.24 175.83 2yto n GLY 19 N 2.72 0.76 2.99 0.00 0.00 -1.18 -5.10 105.19 105.38 2yto n GLY 19 Ca -0.15 -0.62 -0.15 0.00 0.00 0.00 0.00 46.02 45.11 2yto n GLY 19 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2yto s LYS 20 N -0.01 0.44 0.07 1.61 2.20 -1.22 -4.94 119.74 117.89 2yto s LYS 20 Ca 0.00 -0.39 0.04 0.00 -0.36 0.00 0.00 55.97 55.26 2yto s LYS 20 Cb 0.00 -0.34 -0.04 0.00 -1.51 0.00 0.00 37.83 35.94 2yto s LYS 20 CO 0.00 0.08 0.01 0.00 -0.36 0.00 0.00 175.35 175.08 2yto s ALA 21 N -0.59 3.31 0.23 3.13 0.00 -1.26 -0.08 121.76 126.50 2yto s ALA 21 Ca -0.03 -1.07 0.00 0.00 0.00 0.00 0.00 51.96 50.87 2yto s ALA 21 Cb -0.05 -1.25 -0.04 0.00 0.00 0.00 0.00 23.12 21.78 2yto s ALA 21 CO -0.00 0.69 0.13 -0.06 0.00 0.00 0.00 175.76 176.52 2yto s PHE 22 N -1.26 1.31 -0.13 0.00 0.08 -1.20 -5.00 117.98 111.78 2yto s PHE 22 Ca 0.25 -1.35 0.03 0.00 0.12 0.00 0.00 56.93 55.98 2yto s PHE 22 Cb -0.12 -0.67 -0.10 0.00 -0.57 0.00 0.00 43.02 41.56 2yto s PHE 22 CO 0.17 -0.57 -0.08 2.41 -0.10 0.00 0.00 175.22 177.05 2yto n THR 23 N -0.35 0.75 -3.39 0.64 -1.04 -1.26 -4.08 114.28 105.55 2yto n THR 23 Ca 0.02 -0.34 -0.20 0.00 -2.04 0.00 0.00 64.05 61.49 2yto n THR 23 Cb 0.66 -0.90 -0.00 0.00 -1.82 0.00 0.00 70.33 68.26 2yto n THR 23 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 2yto s ARG 24 N -2.26 3.12 -0.02 -2.82 0.52 -1.26 -4.91 118.95 111.31 2yto s ARG 24 Ca -0.14 -0.88 -0.24 0.00 -0.52 0.00 0.00 55.73 53.94 2yto s ARG 24 Cb 0.04 -2.77 -0.18 0.00 0.52 0.00 0.00 34.95 32.57 2yto s ARG 24 CO 0.34 0.01 1.11 -0.22 0.02 0.00 0.00 175.30 176.57 2yto h LYS 25 N 0.80 -0.19 -0.21 3.54 1.63 -2.02 -3.30 116.57 116.83 2yto h LYS 25 Ca -0.46 0.01 0.04 0.00 -0.85 0.00 0.00 60.65 59.40 2yto h LYS 25 Cb 1.25 0.04 -0.04 0.00 -0.60 0.00 0.00 32.23 32.88 2yto h LYS 25 CO 0.54 0.24 -0.07 0.77 -3.45 0.00 0.00 179.45 177.47 2yto h SER 26 N -0.70 -0.25 -0.84 4.20 0.02 -1.99 -2.03 113.55 111.95 2yto h SER 26 Ca -0.02 0.07 0.35 0.00 -0.84 0.00 0.00 61.79 61.35 2yto h SER 26 Cb 0.51 0.15 -0.15 0.00 0.14 0.00 0.00 62.40 63.06 2yto h SER 26 CO 0.03 -0.10 0.46 0.61 -1.14 0.00 0.00 176.83 176.70 2yto n GLY 27 N -1.23 -0.62 0.07 -3.77 0.00 -1.24 -0.27 105.19 98.13 2yto n GLY 27 Ca -0.02 0.66 -0.11 0.00 0.00 0.00 0.00 46.02 46.55 2yto n GLY 27 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2yto h LEU 28 N 0.00 0.00 -0.67 0.99 5.85 -1.49 -3.12 115.31 116.88 2yto h LEU 28 Ca 0.70 -0.63 0.10 0.00 0.84 0.00 0.00 57.88 58.89 2yto h LEU 28 Cb 1.88 0.00 -0.12 0.00 0.37 0.00 0.00 40.66 42.79 2yto h LEU 28 CO -0.62 0.93 -0.40 -0.74 -0.34 0.00 0.00 178.44 177.28 2yto h HIS 29 N -1.00 -1.15 -0.79 1.25 2.76 -0.18 0.39 115.15 116.43 2yto h HIS 29 Ca -0.05 0.08 0.02 0.00 -2.20 0.00 0.00 60.37 58.23 2yto h HIS 29 Cb 0.77 0.60 -0.04 0.00 1.55 0.00 0.00 27.41 30.28 2yto h HIS 29 CO 0.16 -0.40 0.52 0.82 -1.30 0.00 0.00 177.93 177.73 2yto h ILE 30 N -0.16 1.17 -0.38 6.26 2.04 -1.17 -1.69 117.51 123.57 2yto h ILE 30 Ca 0.22 -0.35 -0.06 0.00 1.00 0.00 0.00 64.86 65.67 2yto h ILE 30 Cb 0.56 0.06 -0.02 0.00 -0.74 0.00 0.00 36.82 36.68 2yto h ILE 30 CO -0.74 0.19 -0.04 -0.74 0.00 0.00 0.00 178.15 176.82 2yto h HIS 31 N 1.02 0.66 0.00 1.37 2.76 -0.34 -1.91 115.15 118.71 2yto h HIS 31 Ca 0.30 -0.09 0.00 0.00 -2.20 0.00 0.00 60.37 58.38 2yto h HIS 31 Cb -0.05 -0.18 0.00 0.00 1.55 0.00 0.00 27.41 28.73 2yto h HIS 31 CO -0.00 0.65 0.00 1.96 -1.30 0.00 0.00 177.93 179.24 2yto h GLN 32 N 0.58 0.00 0.00 5.26 4.20 0.32 -2.48 115.11 123.00 2yto h GLN 32 Ca 0.12 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.83 2yto h GLN 32 Cb 0.42 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.20 2yto h GLN 32 CO 0.02 0.00 0.00 1.04 -0.67 0.00 0.00 178.83 179.22 2yto n GLN 33 N -2.77 0.17 -1.02 1.46 6.02 -0.72 -2.37 117.38 118.16 2yto n GLN 33 Ca 0.01 0.36 -0.06 0.00 -0.01 0.00 0.00 57.00 57.30 2yto n GLN 33 Cb 0.28 -1.81 0.30 0.00 1.02 0.00 0.00 30.24 30.03 2yto n GLN 33 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.06 176.48 2yto n SER 34 N -2.13 4.71 -1.13 1.08 7.64 -0.93 -4.29 113.62 118.57 2yto n SER 34 Ca 0.03 -3.26 -0.01 0.00 1.01 0.00 0.00 58.87 56.64 2yto n SER 34 Cb 0.25 -0.74 0.14 0.00 -1.01 0.00 0.00 64.21 62.84 2yto n SER 34 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 2yto n HIS 35 N -0.24 0.67 -0.15 1.43 8.25 -1.00 -4.84 115.22 119.34 2yto n HIS 35 Ca 0.41 -1.57 -0.03 0.00 -0.26 0.00 0.00 57.72 56.27 2yto n HIS 35 Cb 1.39 -0.26 0.03 0.00 1.12 0.00 0.00 29.99 32.27 2yto n HIS 35 CO 0.00 0.00 0.00 1.79 0.64 0.00 0.00 176.34 178.77 2yto h THR 36 N 2.21 0.50 0.00 1.59 1.35 -1.79 -3.44 112.91 113.33 2yto h THR 36 Ca 0.05 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.91 2yto h THR 36 Cb 1.24 0.50 0.00 0.00 -1.73 0.00 0.00 68.15 68.16 2yto h THR 36 CO 0.19 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.07 2yto n GLY 37 N -1.36 0.24 3.05 5.82 0.00 -1.26 -5.09 105.19 106.59 2yto n GLY 37 Ca 0.04 0.70 -0.35 0.00 0.00 0.00 0.00 46.02 46.41 2yto n GLY 37 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2yto n GLU 38 N 0.00 2.61 -3.64 1.61 2.13 -1.26 -4.92 120.64 117.17 2yto n GLU 38 Ca 0.00 -4.49 -0.03 0.00 0.66 0.00 0.00 57.16 53.29 2yto n GLU 38 Cb 0.00 -2.40 -0.07 0.00 0.27 0.00 0.00 31.44 29.25 2yto n GLU 38 CO 0.00 0.00 0.00 0.50 -0.41 0.00 0.00 177.13 177.22 2yto s ARG 39 N -1.50 0.28 -1.41 5.31 6.06 -1.26 -4.96 118.95 121.47 2yto s ARG 39 Ca 0.28 0.40 -0.11 0.00 -2.50 0.00 0.00 55.73 53.80 2yto s ARG 39 Cb -0.05 0.09 0.08 0.00 0.06 0.00 0.00 34.95 35.13 2yto s ARG 39 CO -0.12 -0.05 0.64 0.72 -2.50 0.00 0.00 175.30 173.99 2yto n HIS 40 N 2.76 -1.90 -1.97 5.12 8.25 -1.26 -4.82 115.22 121.40 2yto n HIS 40 Ca -0.15 0.60 -0.39 0.00 -0.26 0.00 0.00 57.72 57.53 2yto n HIS 40 Cb 0.57 -3.28 -0.03 0.00 1.12 0.00 0.00 29.99 28.37 2yto n HIS 40 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 2yto s SER 41 N -2.91 5.25 0.00 0.41 0.15 -1.26 -4.13 113.70 111.21 2yto s SER 41 Ca 0.49 0.59 0.00 0.00 0.70 0.00 0.00 55.95 57.73 2yto s SER 41 Cb -0.26 -2.52 0.00 0.00 -1.71 0.00 0.00 66.02 61.53 2yto s SER 41 CO 0.61 -2.35 0.00 0.61 1.20 0.00 0.00 173.24 173.31 2yto n GLY 42 N 5.70 0.64 3.75 9.45 0.00 -1.26 -5.08 105.19 118.38 2yto n GLY 42 Ca 0.23 -0.65 -0.41 0.00 0.00 0.00 0.00 46.02 45.19 2yto n GLY 42 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2yto s PRO 43 N -0.44 4.43 -0.05 1.61 0.04 -1.26 -5.04 135.00 134.29 2yto s PRO 43 Ca 0.00 2.05 -0.05 0.00 0.04 0.00 0.00 61.00 63.04 2yto s PRO 43 Cb 0.00 -3.16 0.01 0.00 0.04 0.00 0.00 34.50 31.40 2yto s PRO 43 CO 0.00 -0.14 0.15 0.45 0.04 0.00 0.00 177.00 177.50 2yto s SER 44 N -0.15 -0.14 -1.35 6.66 0.15 -1.26 -4.88 113.70 112.72 2yto s SER 44 Ca 0.52 0.26 -0.11 0.00 0.70 0.00 0.00 55.95 57.32 2yto s SER 44 Cb -0.36 0.30 0.11 0.00 -1.71 0.00 0.00 66.02 64.35 2yto s SER 44 CO 0.43 -0.08 0.27 -1.20 1.20 0.00 0.00 173.24 173.86 2yto n SER 45 N 2.88 -0.49 0.00 5.45 7.64 -1.26 -5.29 113.62 122.55 2yto n SER 45 Ca -0.13 -0.98 0.00 0.00 1.01 0.00 0.00 58.87 58.77 2yto n SER 45 Cb 0.59 -1.23 0.00 0.00 -1.01 0.00 0.00 64.21 62.55 2yto n SER 45 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64