#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 5.87 -0.53 1.61 0.01 -1.26 -4.89 113.70 114.51 2enh s SER 2 Ca 0.00 -1.46 -0.00 0.00 1.31 0.00 0.00 55.95 55.80 2enh s SER 2 Cb 0.00 -2.57 0.14 0.00 0.21 0.00 0.00 66.02 63.79 2enh s SER 2 CO 0.00 -2.12 0.31 -0.94 0.41 0.00 0.00 173.24 170.90 2enh s SER 3 N 6.04 4.93 0.00 2.44 1.04 -1.26 -5.02 113.70 121.87 2enh s SER 3 Ca 0.59 -2.69 0.00 0.00 0.48 0.00 0.00 55.95 54.33 2enh s SER 3 Cb -0.01 -1.77 0.00 0.00 0.10 0.00 0.00 66.02 64.34 2enh s SER 3 CO 0.01 -0.36 0.00 0.61 0.98 0.00 0.00 173.24 174.48 2enh n GLY 4 N 3.64 1.31 2.81 7.32 0.00 -1.26 -5.14 105.19 113.86 2enh n GLY 4 Ca 0.05 -0.33 -0.35 0.00 0.00 0.00 0.00 46.02 45.39 2enh n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2enh n SER 5 N 0.00 -2.73 -0.09 1.61 2.88 -1.26 -4.92 113.62 109.11 2enh n SER 5 Ca 0.00 0.64 -0.23 0.00 -1.33 0.00 0.00 58.87 57.95 2enh n SER 5 Cb 0.00 -0.75 -0.12 0.00 -0.75 0.00 0.00 64.21 62.60 2enh n SER 5 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 2enh n SER 6 N 2.06 1.96 0.00 -3.46 3.41 -1.26 -5.10 113.62 111.23 2enh n SER 6 Ca 0.09 0.30 0.00 0.00 -0.26 0.00 0.00 58.87 58.99 2enh n SER 6 Cb 0.37 -0.86 0.00 0.00 -0.26 0.00 0.00 64.21 63.46 2enh n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2enh n GLY 7 N 1.61 -1.67 2.84 5.00 0.00 -1.26 -5.08 105.19 106.63 2enh n GLY 7 Ca -0.38 -1.09 -0.29 0.00 0.00 0.00 0.00 46.02 44.27 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 -2.41 2.38 0.00 2.61 -1.32 -1.26 -4.99 115.64 110.66 2enh s THR 8 Ca 0.00 -3.66 0.00 0.00 -1.21 0.00 0.00 61.69 56.82 2enh s THR 8 Cb 0.00 -2.60 0.00 0.00 -1.51 0.00 0.00 72.50 68.39 2enh s THR 8 CO 0.00 -0.96 0.00 0.61 -2.21 0.00 0.00 174.62 172.06 2enh n GLY 9 N 2.54 2.10 0.00 6.08 0.00 -1.26 -5.08 105.19 109.58 2enh n GLY 9 Ca 0.16 0.18 0.00 0.00 0.00 0.00 0.00 46.02 46.36 2enh n GLY 9 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2enh n GLU 10 N 0.00 2.47 -3.79 1.61 0.28 -1.26 -5.09 120.64 114.86 2enh n GLU 10 Ca 0.00 0.00 -0.13 0.00 -0.16 0.00 0.00 57.16 56.87 2enh n GLU 10 Cb 0.00 -0.81 -0.09 0.00 1.43 0.00 0.00 31.44 31.97 2enh n GLU 10 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 177.13 177.12 2enh s LYS 11 N -1.58 0.64 0.45 3.44 1.02 -1.26 -5.04 119.74 117.42 2enh s LYS 11 Ca 0.00 -0.26 0.30 0.00 0.02 0.00 0.00 55.97 56.04 2enh s LYS 11 Cb 0.00 0.28 1.27 0.00 -0.52 0.00 0.00 37.83 38.86 2enh s LYS 11 CO 0.00 -0.17 1.90 -1.00 -0.92 0.00 0.00 175.35 175.16 2enh h PRO 12 N 3.91 0.00 -3.60 -1.68 0.13 -1.97 -3.36 132.00 125.43 2enh h PRO 12 Ca -0.30 0.00 -0.74 0.00 -0.87 0.00 0.00 66.00 64.09 2enh h PRO 12 Cb 1.18 0.00 -0.32 0.00 0.13 0.00 0.00 31.00 31.99 2enh h PRO 12 CO 0.41 0.00 -0.09 0.71 -0.23 0.00 0.00 178.00 178.79 2enh s TYR 13 N -3.56 3.68 -0.04 1.56 2.02 -1.26 -5.04 117.35 114.72 2enh s TYR 13 Ca 0.02 -2.55 0.06 0.00 -0.37 0.00 0.00 57.07 54.23 2enh s TYR 13 Cb 0.09 -3.46 -0.01 0.00 -0.40 0.00 0.00 41.96 38.18 2enh s TYR 13 CO 0.48 -0.88 -0.21 -2.00 -1.57 0.00 0.00 175.55 171.37 2enh s GLU 14 N -0.35 1.98 0.08 -0.62 2.12 -1.26 -2.41 118.70 118.24 2enh s GLU 14 Ca 0.20 -0.76 -0.30 0.00 0.36 0.00 0.00 54.97 54.47 2enh s GLU 14 Cb -0.14 -1.77 -0.06 0.00 0.26 0.00 0.00 34.13 32.42 2enh s GLU 14 CO -0.07 0.37 1.17 0.00 -0.54 0.00 0.00 175.26 176.19 2enh n ASP 16 N 3.64 2.64 0.02 0.00 8.00 -1.26 -1.34 116.55 128.25 2enh n ASP 16 Ca 0.08 -2.32 0.00 0.00 0.71 0.00 0.00 54.79 53.26 2enh n ASP 16 Cb 0.47 -0.56 0.00 0.00 -0.02 0.00 0.00 41.12 41.01 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 0.22 0.51 0.52 2.53 0.31 -1.26 -4.83 118.33 116.32 2enh n VAL 17 Ca 0.10 0.17 0.06 0.00 -0.01 0.00 0.00 64.34 64.65 2enh n VAL 17 Cb 0.58 -1.53 -0.01 0.00 -0.91 0.00 0.00 33.84 31.97 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 -0.31 -6.02 -2.17 0.00 3.00 -0.45 -5.01 116.66 105.70 2enh n ARG 19 Ca 0.05 0.74 -0.20 0.00 -0.01 0.00 0.00 57.85 58.43 2enh n ARG 19 Cb 0.24 -5.46 0.11 0.00 0.00 0.00 0.00 32.46 27.35 2enh n ARG 19 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 2enh n LYS 20 N -3.87 -0.09 -4.20 5.56 5.02 -1.25 -4.80 118.16 114.53 2enh n LYS 20 Ca -0.21 -2.20 -0.18 0.00 -2.02 0.00 0.00 58.31 53.71 2enh n LYS 20 Cb 0.63 -0.61 -0.15 0.00 -0.02 0.00 0.00 35.03 34.89 2enh n LYS 20 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2enh s ALA 21 N -3.19 0.56 0.06 7.82 0.00 -1.26 -2.87 121.76 122.88 2enh s ALA 21 Ca 0.56 -0.19 0.04 0.00 0.00 0.00 0.00 51.96 52.36 2enh s ALA 21 Cb -0.03 -0.22 -0.03 0.00 0.00 0.00 0.00 23.12 22.84 2enh s ALA 21 CO 0.37 0.09 -0.12 -0.06 0.00 0.00 0.00 175.76 176.04 2enh s PHE 22 N 0.18 1.02 -0.07 0.00 0.40 -1.01 -5.05 117.98 113.44 2enh s PHE 22 Ca -0.02 -0.47 -0.22 0.00 -0.60 0.00 0.00 56.93 55.61 2enh s PHE 22 Cb -0.06 -0.58 -0.18 0.00 0.51 0.00 0.00 43.02 42.71 2enh s PHE 22 CO -0.00 0.01 0.84 0.77 0.70 0.00 0.00 175.22 177.54 2enh h SER 23 N 4.37 -0.09 -3.17 1.36 0.02 -1.96 -3.42 113.55 110.65 2enh h SER 23 Ca -0.39 -0.51 -0.58 0.00 -0.84 0.00 0.00 61.79 59.47 2enh h SER 23 Cb 1.20 0.02 -0.04 0.00 0.14 0.00 0.00 62.40 63.72 2enh h SER 23 CO 0.40 0.56 -0.21 -2.28 -1.14 0.00 0.00 176.83 174.17 2enh s HIS 24 N -3.10 3.58 0.18 3.45 5.65 -1.26 -4.96 115.29 118.82 2enh s HIS 24 Ca -0.14 0.85 -0.13 0.00 0.25 0.00 0.00 55.06 55.88 2enh s HIS 24 Cb -0.00 -2.21 0.15 0.00 -1.18 0.00 0.00 32.58 29.34 2enh s HIS 24 CO 0.52 0.48 1.74 1.12 -0.65 0.00 0.00 174.74 177.96 2enh h HIS 25 N 3.59 0.25 -0.10 3.88 -0.00 -1.97 -2.47 115.15 118.33 2enh h HIS 25 Ca -0.49 0.02 0.02 0.00 -0.00 0.00 0.00 60.37 59.93 2enh h HIS 25 Cb 1.19 -0.04 -0.02 0.00 -0.00 0.00 0.00 27.41 28.54 2enh h HIS 25 CO 0.66 0.07 -0.03 0.00 -0.00 0.00 0.00 177.93 178.63 2enh h ALA 26 N 1.33 0.06 -0.75 6.11 0.00 -1.99 -1.58 119.26 122.44 2enh h ALA 26 Ca 0.23 0.04 0.22 0.00 0.00 0.00 0.00 54.91 55.39 2enh h ALA 26 Cb 0.25 0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 2enh h ALA 26 CO -0.25 -0.49 1.08 0.77 0.00 0.00 0.00 179.25 180.36 2enh h SER 27 N -0.01 0.00 0.00 0.00 0.02 -1.85 0.40 113.55 112.11 2enh h SER 27 Ca 0.05 0.00 -0.09 0.00 -0.84 0.00 0.00 61.79 60.91 2enh h SER 27 Cb 0.09 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.61 2enh h SER 27 CO -0.11 0.00 -0.63 0.25 -1.14 0.00 0.00 176.83 175.20 2enh h LEU 28 N 0.00 0.00 -2.15 5.07 5.85 -1.30 -3.16 115.31 119.62 2enh h LEU 28 Ca 0.36 -0.39 0.01 0.00 0.84 0.00 0.00 57.88 58.69 2enh h LEU 28 Cb 2.52 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 43.55 2enh h LEU 28 CO -0.00 1.05 0.02 0.00 -0.34 0.00 0.00 178.44 179.18 2enh h THR 29 N -1.00 0.83 -0.09 1.05 1.03 -0.25 0.18 112.91 114.66 2enh h THR 29 Ca -0.14 0.00 -0.24 0.00 -0.01 0.00 0.00 66.41 66.02 2enh h THR 29 Cb 0.84 0.98 0.01 0.00 -1.07 0.00 0.00 68.15 68.92 2enh h THR 29 CO -0.08 0.00 -0.88 0.06 -0.01 0.00 0.00 175.52 174.61 2enh h GLN 30 N 0.00 0.75 -0.09 0.00 3.07 -0.64 -3.31 115.11 114.88 2enh h GLN 30 Ca 0.01 -0.68 -0.08 0.00 0.09 0.00 0.00 58.65 57.99 2enh h GLN 30 Cb 0.06 0.16 0.00 0.00 0.08 0.00 0.00 27.48 27.79 2enh h GLN 30 CO -0.00 1.28 -0.27 1.25 0.09 0.00 0.00 178.83 181.17 2enh h HIS 31 N 0.48 0.45 -1.15 0.06 2.76 -1.29 -3.20 115.15 113.26 2enh h HIS 31 Ca -0.08 -0.18 0.37 0.00 -2.20 0.00 0.00 60.37 58.28 2enh h HIS 31 Cb 1.52 -0.08 -0.09 0.00 1.55 0.00 0.00 27.41 30.31 2enh h HIS 31 CO 0.09 0.89 0.78 1.04 -1.30 0.00 0.00 177.93 179.42 2enh n GLN 32 N -4.46 -0.02 -0.21 5.26 6.02 -0.03 0.90 117.38 124.85 2enh n GLN 32 Ca -0.08 0.87 -0.01 0.00 -0.01 0.00 0.00 57.00 57.78 2enh n GLN 32 Cb 0.46 -1.81 0.06 0.00 1.02 0.00 0.00 30.24 29.97 2enh n GLN 32 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2enh h ARG 33 N 0.00 -0.02 -1.30 -1.09 3.08 -1.70 0.24 114.38 113.59 2enh h ARG 33 Ca 0.66 0.00 0.38 0.00 0.07 0.00 0.00 59.98 61.09 2enh h ARG 33 Cb 2.30 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 32.30 2enh h ARG 33 CO -0.23 -0.01 1.21 1.33 -1.07 0.00 0.00 179.97 181.20 2enh n VAL 34 N -5.43 0.00 -3.48 2.04 0.24 0.26 -3.75 118.33 108.21 2enh n VAL 34 Ca 0.07 1.25 -0.41 0.00 -2.04 0.00 0.00 64.34 63.22 2enh n VAL 34 Cb 0.33 -2.18 -0.10 0.00 -1.47 0.00 0.00 33.84 30.42 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 -4.44 3.22 0.01 6.34 3.76 0.83 -5.02 115.29 119.99 2enh s HIS 35 Ca -0.03 -0.21 -0.34 0.00 -0.15 0.00 0.00 55.06 54.33 2enh s HIS 35 Cb 0.18 -2.55 -0.17 0.00 1.11 0.00 0.00 32.58 31.14 2enh s HIS 35 CO 0.59 -0.42 0.89 -1.13 -0.85 0.00 0.00 174.74 173.82 2enh n SER 36 N 5.20 -0.10 -0.66 1.40 3.41 -1.25 -4.95 113.62 116.68 2enh n SER 36 Ca -0.11 1.00 0.00 0.00 -0.26 0.00 0.00 58.87 59.50 2enh n SER 36 Cb 0.49 -0.80 0.00 0.00 -0.26 0.00 0.00 64.21 63.64 2enh n SER 36 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2enh n GLY 37 N 1.34 5.08 4.50 5.00 0.00 -1.26 -4.74 105.19 115.10 2enh n GLY 37 Ca 0.17 -2.08 -0.41 0.00 0.00 0.00 0.00 46.02 43.70 2enh n GLY 37 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2enh n GLU 38 N -0.11 -0.76 -2.17 1.61 1.02 -1.26 -4.84 120.64 114.13 2enh n GLU 38 Ca 0.00 0.13 -0.39 0.00 -0.02 0.00 0.00 57.16 56.88 2enh n GLU 38 Cb 0.00 -4.49 -0.01 0.00 -0.02 0.00 0.00 31.44 26.92 2enh n GLU 38 CO 0.00 0.00 0.00 -1.59 1.18 0.00 0.00 177.13 176.72 2enh s LYS 39 N -7.27 3.93 0.00 3.49 0.00 -1.26 -4.91 119.74 113.72 2enh s LYS 39 Ca 0.67 1.97 0.14 0.00 0.00 0.00 0.00 55.97 58.76 2enh s LYS 39 Cb -0.39 -2.64 0.61 0.00 0.00 0.00 0.00 37.83 35.40 2enh s LYS 39 CO 1.02 -0.47 1.46 -0.35 0.00 0.00 0.00 175.35 177.01 2enh n PRO 40 N -0.05 0.00 -3.11 1.78 -0.04 -1.26 -4.88 135.00 127.44 2enh n PRO 40 Ca 0.05 0.26 -0.14 0.00 -0.04 0.00 0.00 63.50 63.63 2enh n PRO 40 Cb 0.46 -1.50 0.05 0.00 -0.04 0.00 0.00 33.50 32.47 2enh n PRO 40 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2enh n SER 41 N -1.50 -3.89 -4.46 3.54 2.88 -1.26 -4.94 113.62 103.99 2enh n SER 41 Ca 0.03 -0.37 -0.40 0.00 -1.33 0.00 0.00 58.87 56.80 2enh n SER 41 Cb 0.17 -3.46 0.02 0.00 -0.75 0.00 0.00 64.21 60.19 2enh n SER 41 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2enh n GLY 42 N -1.35 -1.44 0.00 0.46 0.00 -1.26 -4.80 105.19 96.80 2enh n GLY 42 Ca -0.06 -0.01 0.06 0.00 0.00 0.00 0.00 46.02 46.01 2enh n GLY 42 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2enh n PRO 43 N 0.40 0.49 -4.10 1.61 -0.04 -1.26 -4.84 135.00 127.27 2enh n PRO 43 Ca 0.11 0.00 -0.34 0.00 -0.04 0.00 0.00 63.50 63.24 2enh n PRO 43 Cb 0.42 -1.38 -0.01 0.00 -0.04 0.00 0.00 33.50 32.49 2enh n PRO 43 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2enh n SER 44 N -0.88 -3.80 -4.43 3.54 7.64 -1.26 -0.78 113.62 113.65 2enh n SER 44 Ca 0.09 -0.92 -0.39 0.00 1.01 0.00 0.00 58.87 58.65 2enh n SER 44 Cb 0.04 -3.20 -0.07 0.00 -1.01 0.00 0.00 64.21 59.97 2enh n SER 44 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2enh n SER 45 N -2.73 -1.76 0.00 6.43 7.64 -1.26 -5.33 113.62 116.61 2enh n SER 45 Ca 0.05 -1.19 0.00 0.00 1.01 0.00 0.00 58.87 58.74 2enh n SER 45 Cb 0.51 -1.90 0.00 0.00 -1.01 0.00 0.00 64.21 61.81 2enh n SER 45 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64