#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2enh s SER 2 N 0.00 -0.78 0.09 1.61 1.04 -1.26 -5.18 113.70 109.22 2enh s SER 2 Ca 0.00 1.29 0.03 0.00 0.48 0.00 0.00 55.95 57.75 2enh s SER 2 Cb 0.00 1.32 -0.04 0.00 0.10 0.00 0.00 66.02 67.40 2enh s SER 2 CO 0.00 -0.21 -0.08 -0.94 0.98 0.00 0.00 173.24 172.99 2enh s SER 3 N 1.33 1.24 -0.33 7.02 1.04 -1.26 -5.09 113.70 117.65 2enh s SER 3 Ca -0.08 -0.83 0.02 0.00 0.48 0.00 0.00 55.95 55.54 2enh s SER 3 Cb -0.05 0.04 0.31 0.00 0.10 0.00 0.00 66.02 66.43 2enh s SER 3 CO -0.15 -0.32 1.34 0.61 0.98 0.00 0.00 173.24 175.70 2enh n GLY 4 N 0.51 -1.54 2.97 7.32 0.00 -1.26 -5.13 105.19 108.06 2enh n GLY 4 Ca -0.16 0.89 -0.30 0.00 0.00 0.00 0.00 46.02 46.45 2enh n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2enh s SER 5 N -0.24 3.70 -0.91 1.61 0.15 -1.26 -5.06 113.70 111.69 2enh s SER 5 Ca 0.22 -1.07 -0.07 0.00 0.70 0.00 0.00 55.95 55.73 2enh s SER 5 Cb 0.27 -1.22 0.23 0.00 -1.71 0.00 0.00 66.02 63.58 2enh s SER 5 CO -0.16 -0.20 0.83 -0.44 1.20 0.00 0.00 173.24 174.47 2enh s SER 6 N 1.38 6.47 0.00 5.45 0.01 -1.26 -4.99 113.70 120.76 2enh s SER 6 Ca -0.04 -3.31 0.00 0.00 1.31 0.00 0.00 55.95 53.91 2enh s SER 6 Cb -0.18 -2.07 0.00 0.00 0.21 0.00 0.00 66.02 63.99 2enh s SER 6 CO -0.07 -0.34 0.00 0.61 0.41 0.00 0.00 173.24 173.86 2enh n GLY 7 N 3.01 0.81 3.75 3.44 0.00 -1.26 -4.99 105.19 109.94 2enh n GLY 7 Ca 0.18 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.84 2enh n GLY 7 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2enh s THR 8 N 0.93 2.51 0.00 2.61 -1.32 -1.26 -5.00 115.64 114.12 2enh s THR 8 Ca 0.00 0.33 0.00 0.00 -1.21 0.00 0.00 61.69 60.81 2enh s THR 8 Cb 0.00 -3.14 0.00 0.00 -1.51 0.00 0.00 72.50 67.85 2enh s THR 8 CO 0.00 -0.06 0.00 0.61 -2.21 0.00 0.00 174.62 172.96 2enh n GLY 9 N 0.59 -0.40 0.03 6.08 0.00 -1.26 -5.02 105.19 105.20 2enh n GLY 9 Ca 0.13 -1.05 0.02 0.00 0.00 0.00 0.00 46.02 45.11 2enh n GLY 9 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2enh n GLU 10 N -0.34 0.98 -3.65 1.61 2.13 -1.26 -4.76 120.64 115.35 2enh n GLU 10 Ca 0.00 -0.08 -0.36 0.00 0.66 0.00 0.00 57.16 57.38 2enh n GLU 10 Cb 0.00 -1.36 -0.07 0.00 0.27 0.00 0.00 31.44 30.28 2enh n GLU 10 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 2enh s LYS 11 N -2.75 3.20 0.00 5.31 1.02 -1.26 -4.88 119.74 120.37 2enh s LYS 11 Ca -0.06 -3.24 0.12 0.00 0.02 0.00 0.00 55.97 52.81 2enh s LYS 11 Cb 0.07 -3.92 0.69 0.00 -0.52 0.00 0.00 37.83 34.15 2enh s LYS 11 CO 0.61 -1.26 1.12 -0.35 -0.92 0.00 0.00 175.35 174.55 2enh n PRO 12 N 2.39 0.49 -4.42 -1.68 -0.04 -1.26 -4.62 135.00 125.84 2enh n PRO 12 Ca 0.21 0.00 -0.34 0.00 -0.04 0.00 0.00 63.50 63.33 2enh n PRO 12 Cb 0.37 -1.37 -0.13 0.00 -0.04 0.00 0.00 33.50 32.32 2enh n PRO 12 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 2enh s TYR 13 N -2.00 2.93 -0.11 0.54 1.51 -1.26 -5.10 117.35 113.86 2enh s TYR 13 Ca 0.17 -0.57 -0.13 0.00 -1.01 0.00 0.00 57.07 55.53 2enh s TYR 13 Cb 0.08 -1.95 0.03 0.00 -0.11 0.00 0.00 41.96 40.01 2enh s TYR 13 CO 0.13 -0.22 0.35 -2.00 -1.11 0.00 0.00 175.55 172.71 2enh s GLU 14 N 0.62 0.47 0.04 -0.62 2.12 -1.26 -3.57 118.70 116.50 2enh s GLU 14 Ca -0.04 0.37 -0.26 0.00 0.36 0.00 0.00 54.97 55.39 2enh s GLU 14 Cb -0.15 0.22 -0.05 0.00 0.26 0.00 0.00 34.13 34.41 2enh s GLU 14 CO 0.03 -0.08 0.82 0.00 -0.54 0.00 0.00 175.26 175.49 2enh n ASP 16 N 3.01 3.50 0.00 0.00 8.00 -1.26 -1.57 116.55 128.22 2enh n ASP 16 Ca -0.01 -2.77 0.00 0.00 0.71 0.00 0.00 54.79 52.73 2enh n ASP 16 Cb 0.50 -0.66 0.00 0.00 -0.02 0.00 0.00 41.12 40.94 2enh n ASP 16 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 2enh n VAL 17 N -0.15 0.00 0.10 2.53 0.31 -1.26 -4.88 118.33 114.97 2enh n VAL 17 Ca 0.27 0.00 0.01 0.00 -0.01 0.00 0.00 64.34 64.61 2enh n VAL 17 Cb 1.03 -0.46 -0.01 0.00 -0.91 0.00 0.00 33.84 33.49 2enh n VAL 17 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2enh n ARG 19 N -0.72 -6.45 -3.75 0.00 3.00 -0.61 -5.00 116.66 103.13 2enh n ARG 19 Ca 0.01 0.77 -0.36 0.00 -0.01 0.00 0.00 57.85 58.26 2enh n ARG 19 Cb 0.04 -5.59 -0.06 0.00 0.00 0.00 0.00 32.46 26.85 2enh n ARG 19 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.63 177.78 2enh s LYS 20 N -5.54 3.60 -0.13 5.56 1.02 -1.26 -4.80 119.74 118.19 2enh s LYS 20 Ca 0.17 -0.01 -0.03 0.00 0.02 0.00 0.00 55.97 56.11 2enh s LYS 20 Cb -0.07 -3.14 -0.03 0.00 -0.52 0.00 0.00 37.83 34.07 2enh s LYS 20 CO 0.67 0.70 -0.02 0.00 -0.92 0.00 0.00 175.35 175.78 2enh s ALA 21 N -1.18 3.13 0.23 5.17 0.00 -1.26 -1.85 121.76 126.00 2enh s ALA 21 Ca 0.23 -0.81 0.11 0.00 0.00 0.00 0.00 51.96 51.49 2enh s ALA 21 Cb -0.13 -1.55 -0.05 0.00 0.00 0.00 0.00 23.12 21.39 2enh s ALA 21 CO 0.12 0.36 -0.20 -0.06 0.00 0.00 0.00 175.76 175.97 2enh s PHE 22 N -0.12 2.16 -0.07 0.00 0.40 -1.23 -5.06 117.98 114.05 2enh s PHE 22 Ca 0.03 -0.39 -0.25 0.00 -0.60 0.00 0.00 56.93 55.73 2enh s PHE 22 Cb -0.13 -1.00 -0.25 0.00 0.51 0.00 0.00 43.02 42.15 2enh s PHE 22 CO 0.02 0.56 0.94 1.03 0.70 0.00 0.00 175.22 178.47 2enh h SER 23 N 2.72 0.20 -0.72 1.36 0.87 -1.95 -3.42 113.55 112.60 2enh h SER 23 Ca -0.42 -0.86 -0.53 0.00 -1.23 0.00 0.00 61.79 58.75 2enh h SER 23 Cb 1.23 -0.06 -0.01 0.00 -0.44 0.00 0.00 62.40 63.12 2enh h SER 23 CO 0.55 1.04 -0.20 -1.38 -0.53 0.00 0.00 176.83 176.31 2enh s HIS 24 N -2.80 1.57 -0.16 2.24 0.00 -1.26 -4.96 115.29 109.93 2enh s HIS 24 Ca -0.16 -0.76 -0.14 0.00 -3.00 0.00 0.00 55.06 50.99 2enh s HIS 24 Cb -0.00 -2.08 -0.10 0.00 -4.00 0.00 0.00 32.58 26.40 2enh s HIS 24 CO 0.74 -0.81 0.08 1.12 -1.00 0.00 0.00 174.74 174.87 2enh h HIS 25 N 0.47 0.00 -0.94 0.38 -0.00 -2.01 -3.35 115.15 109.69 2enh h HIS 25 Ca -0.33 0.00 0.27 0.00 -0.00 0.00 0.00 60.37 60.31 2enh h HIS 25 Cb 1.29 0.00 -0.04 0.00 -0.00 0.00 0.00 27.41 28.67 2enh h HIS 25 CO 0.68 0.58 1.19 0.00 -0.00 0.00 0.00 177.93 180.38 2enh h ALA 26 N -0.73 2.88 -0.12 6.11 0.00 -1.98 1.02 119.26 126.44 2enh h ALA 26 Ca -0.11 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.72 2enh h ALA 26 Cb 0.74 0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.60 2enh h ALA 26 CO -0.07 -1.67 -0.11 0.66 0.00 0.00 0.00 179.25 178.06 2enh h SER 27 N 0.00 0.30 0.15 0.00 4.64 -2.00 -2.94 113.55 113.69 2enh h SER 27 Ca 0.45 -0.47 -0.01 0.00 -0.47 0.00 0.00 61.79 61.29 2enh h SER 27 Cb 2.81 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 64.82 2enh h SER 27 CO -0.00 0.71 -0.07 0.25 -0.87 0.00 0.00 176.83 176.84 2enh h LEU 28 N -0.11 -0.17 -1.24 5.97 5.85 0.87 -0.89 115.31 125.59 2enh h LEU 28 Ca 0.02 -0.37 0.39 0.00 0.84 0.00 0.00 57.88 58.76 2enh h LEU 28 Cb 0.62 0.04 -0.14 0.00 0.37 0.00 0.00 40.66 41.56 2enh h LEU 28 CO 0.03 0.40 0.72 0.00 -0.34 0.00 0.00 178.44 179.25 2enh h THR 29 N -0.87 0.17 0.00 1.05 1.03 -1.46 0.92 112.91 113.76 2enh h THR 29 Ca -0.02 -0.05 0.00 0.00 -0.01 0.00 0.00 66.41 66.33 2enh h THR 29 Cb 0.53 0.01 0.00 0.00 -1.07 0.00 0.00 68.15 67.62 2enh h THR 29 CO 0.03 0.03 -0.13 -0.61 -0.01 0.00 0.00 175.52 174.83 2enh h GLN 30 N 0.15 0.00 -0.97 0.00 -0.00 -1.55 -3.38 115.11 109.35 2enh h GLN 30 Ca 0.79 0.00 0.12 0.00 -0.00 0.00 0.00 58.65 59.55 2enh h GLN 30 Cb 2.23 0.00 -0.14 0.00 0.00 0.00 0.00 27.48 29.58 2enh h GLN 30 CO -0.51 0.00 -0.49 1.58 0.00 0.00 0.00 178.83 179.41 2enh n HIS 31 N -3.87 -0.22 -0.25 3.99 -0.00 -0.34 0.67 115.22 115.19 2enh n HIS 31 Ca -0.02 1.21 0.24 0.00 0.46 0.00 0.00 57.72 59.62 2enh n HIS 31 Cb 0.07 -0.71 0.44 0.00 -0.12 0.00 0.00 29.99 29.67 2enh n HIS 31 CO 0.00 0.00 0.00 1.04 0.46 0.00 0.00 176.34 177.84 2enh n GLN 32 N -5.32 -0.04 -0.23 1.57 1.13 0.26 0.49 117.38 115.24 2enh n GLN 32 Ca 0.06 0.99 -0.07 0.00 -1.94 0.00 0.00 57.00 56.03 2enh n GLN 32 Cb 0.32 -1.80 -0.02 0.00 0.11 0.00 0.00 30.24 28.85 2enh n GLN 32 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2enh h ARG 33 N 0.00 -0.17 -1.40 -1.09 3.08 0.06 0.35 114.38 115.21 2enh h ARG 33 Ca 0.62 0.01 0.44 0.00 0.07 0.00 0.00 59.98 61.12 2enh h ARG 33 Cb 1.70 0.04 -0.09 0.00 0.08 0.00 0.00 29.97 31.70 2enh h ARG 33 CO -0.52 -0.11 0.97 1.33 -1.07 0.00 0.00 179.97 180.56 2enh n VAL 34 N -5.42 -0.10 -2.97 2.04 0.24 0.18 -3.58 118.33 108.72 2enh n VAL 34 Ca 0.03 1.35 -0.43 0.00 -2.04 0.00 0.00 64.34 63.25 2enh n VAL 34 Cb 0.35 -2.23 -0.05 0.00 -1.47 0.00 0.00 33.84 30.44 2enh n VAL 34 CO 0.00 0.00 0.00 -1.00 -2.14 0.00 0.00 176.83 173.69 2enh s HIS 35 N -4.73 2.90 -0.99 6.34 3.76 0.12 -4.99 115.29 117.71 2enh s HIS 35 Ca -0.05 -0.19 -0.23 0.00 -0.15 0.00 0.00 55.06 54.43 2enh s HIS 35 Cb 0.24 -3.84 0.05 0.00 1.11 0.00 0.00 32.58 30.13 2enh s HIS 35 CO 0.71 -1.20 1.45 -1.12 -0.85 0.00 0.00 174.74 173.72 2enh s SER 36 N 2.72 6.43 1.24 1.40 0.01 -1.24 -4.99 113.70 119.28 2enh s SER 36 Ca 0.25 -1.32 -0.18 0.00 1.31 0.00 0.00 55.95 56.01 2enh s SER 36 Cb -0.15 -2.57 0.26 0.00 0.21 0.00 0.00 66.02 63.78 2enh s SER 36 CO 0.17 -1.58 0.86 0.61 0.41 0.00 0.00 173.24 173.71 2enh n GLY 37 N 6.73 -2.96 2.36 3.44 0.00 -1.26 -4.94 105.19 108.56 2enh n GLY 37 Ca 0.30 -1.44 -0.35 0.00 0.00 0.00 0.00 46.02 44.53 2enh n GLY 37 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2enh n GLU 38 N -4.43 2.77 -3.60 1.61 -0.00 -1.26 -4.92 120.64 110.82 2enh n GLU 38 Ca 0.12 -3.38 -0.13 0.00 -0.00 0.00 0.00 57.16 53.77 2enh n GLU 38 Cb 0.49 -2.29 -0.06 0.00 -0.00 0.00 0.00 31.44 29.57 2enh n GLU 38 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.13 175.54 2enh s LYS 39 N -3.83 0.73 0.00 3.44 -2.85 -1.26 -5.02 119.74 110.95 2enh s LYS 39 Ca 0.63 0.56 0.14 0.00 -1.00 0.00 0.00 55.97 56.31 2enh s LYS 39 Cb 0.50 0.35 0.69 0.00 -2.06 0.00 0.00 37.83 37.31 2enh s LYS 39 CO -0.04 -0.15 1.42 -0.35 0.10 0.00 0.00 175.35 176.33 2enh n PRO 40 N 1.81 0.13 -3.73 1.78 -0.04 -1.26 -4.87 135.00 128.82 2enh n PRO 40 Ca -0.14 0.19 -0.26 0.00 -0.04 0.00 0.00 63.50 63.25 2enh n PRO 40 Cb 0.56 -1.50 0.05 0.00 -0.04 0.00 0.00 33.50 32.58 2enh n PRO 40 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2enh n SER 41 N -1.37 -4.98 0.00 3.54 7.64 -1.26 -4.83 113.62 112.36 2enh n SER 41 Ca 0.06 -0.67 0.00 0.00 1.01 0.00 0.00 58.87 59.27 2enh n SER 41 Cb 0.14 -4.48 0.00 0.00 -1.01 0.00 0.00 64.21 58.86 2enh n SER 41 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2enh n GLY 42 N -1.78 3.63 0.22 0.23 0.00 -1.26 -4.89 105.19 101.34 2enh n GLY 42 Ca -0.02 -1.77 0.09 0.00 0.00 0.00 0.00 46.02 44.32 2enh n GLY 42 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2enh h PRO 43 N 0.00 0.00 -6.97 1.61 0.13 -2.04 -3.46 132.00 121.27 2enh h PRO 43 Ca 0.00 0.00 -0.59 0.00 -0.87 0.00 0.00 66.00 64.54 2enh h PRO 43 Cb 0.00 0.00 -0.28 0.00 0.13 0.00 0.00 31.00 30.85 2enh h PRO 43 CO 0.00 0.24 -0.89 -1.13 -0.23 0.00 0.00 178.00 175.99 2enh n SER 44 N -3.52 -1.95 -4.63 1.44 3.41 -1.26 -4.90 113.62 102.21 2enh n SER 44 Ca -0.01 -1.15 -0.35 0.00 -0.26 0.00 0.00 58.87 57.11 2enh n SER 44 Cb 0.40 -2.14 -0.10 0.00 -0.26 0.00 0.00 64.21 62.11 2enh n SER 44 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2enh s SER 45 N -3.48 5.69 0.00 4.04 0.01 -1.26 -5.26 113.70 113.43 2enh s SER 45 Ca 0.64 0.08 0.00 0.00 1.31 0.00 0.00 55.95 57.98 2enh s SER 45 Cb -0.36 -1.98 0.00 0.00 0.21 0.00 0.00 66.02 63.88 2enh s SER 45 CO 0.98 0.15 0.00 0.61 0.41 0.00 0.00 173.24 175.39