#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2f8b s SER 2 N 0.00 -0.11 -0.01 1.61 0.01 -1.26 -5.17 113.70 108.77 2f8b s SER 2 Ca 0.00 -0.57 0.01 0.00 1.31 0.00 0.00 55.95 56.70 2f8b s SER 2 Cb 0.00 0.54 0.01 0.00 0.21 0.00 0.00 66.02 66.78 2f8b s SER 2 CO 0.00 -1.03 -0.02 -2.28 0.41 0.00 0.00 173.24 170.31 2f8b s HIS 3 N -2.89 0.33 0.04 2.43 5.04 -1.26 -5.16 115.29 113.82 2f8b s HIS 3 Ca 0.15 -0.05 -0.27 0.00 -1.54 0.00 0.00 55.06 53.36 2f8b s HIS 3 Cb -0.02 -0.28 0.09 0.00 0.04 0.00 0.00 32.58 32.41 2f8b s HIS 3 CO 0.04 -0.05 1.21 1.41 -2.34 0.00 0.00 174.74 175.02 2f8b s MET 4 N 0.28 0.65 -1.48 2.88 1.75 -1.26 -5.03 119.30 117.09 2f8b s MET 4 Ca -0.03 -0.41 -0.01 0.00 -1.25 0.00 0.00 55.69 53.99 2f8b s MET 4 Cb -0.05 0.18 0.00 0.00 2.84 0.00 0.00 34.83 37.80 2f8b s MET 4 CO -0.01 -0.30 0.09 0.00 -0.65 0.00 0.00 175.02 174.15 2f8b n ALA 5 N -0.80 -0.74 -2.20 4.11 0.00 -1.26 -4.98 120.51 114.65 2f8b n ALA 5 Ca 0.00 0.15 -0.12 0.00 0.00 0.00 0.00 53.44 53.48 2f8b n ALA 5 Cb 0.59 -2.16 -0.10 0.00 0.00 0.00 0.00 19.45 17.78 2f8b n ALA 5 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 2f8b s GLU 6 N -5.16 0.91 -1.19 0.00 0.41 -1.26 -5.06 118.70 107.35 2f8b s GLU 6 Ca 0.05 -1.38 -0.20 0.00 -0.41 0.00 0.00 54.97 53.03 2f8b s GLU 6 Cb -0.03 -0.35 -0.04 0.00 -1.78 0.00 0.00 34.13 31.93 2f8b s GLU 6 CO 0.07 0.02 1.90 -0.35 -0.49 0.00 0.00 175.26 176.40 2f8b n PRO 7 N -0.10 2.17 0.05 0.39 -0.04 -1.26 -4.10 135.00 132.11 2f8b n PRO 7 Ca -0.11 -2.64 0.00 0.00 -0.04 0.00 0.00 63.50 60.70 2f8b n PRO 7 Cb 0.61 -3.52 0.00 0.00 -0.04 0.00 0.00 33.50 30.55 2f8b n PRO 7 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40 2f8b n GLN 8 N 7.97 0.00 -1.54 0.54 -0.06 -1.26 -4.13 117.38 118.89 2f8b n GLN 8 Ca 0.47 0.00 -0.19 0.00 -2.00 0.00 0.00 57.00 55.28 2f8b n GLN 8 Cb 0.45 0.00 -0.10 0.00 -4.06 0.00 0.00 30.24 26.53 2f8b n GLN 8 CO 0.00 0.00 0.00 -2.13 -0.20 0.00 0.00 177.06 174.73 2f8b n ARG 9 N -2.78 0.50 -4.38 3.69 0.00 -1.26 0.28 116.66 112.72 2f8b n ARG 9 Ca 0.00 -0.54 -0.21 0.00 -0.00 0.00 0.00 57.85 57.11 2f8b n ARG 9 Cb 0.00 -3.07 -0.10 0.00 0.00 0.00 0.00 32.46 29.29 2f8b n ARG 9 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.63 176.62 2f8b s HIS 10 N 11.50 1.89 -0.36 -0.14 3.76 -0.32 -4.97 115.29 126.66 2f8b s HIS 10 Ca 1.03 -0.49 -0.00 0.00 -0.15 0.00 0.00 55.06 55.45 2f8b s HIS 10 Cb -0.32 -0.87 0.13 0.00 1.11 0.00 0.00 32.58 32.62 2f8b s HIS 10 CO 0.22 0.45 0.19 0.15 -0.85 0.00 0.00 174.74 174.89 2f8b s LYS 11 N -3.43 0.72 -0.78 1.40 1.02 -1.25 -0.96 119.74 116.45 2f8b s LYS 11 Ca 0.23 -1.34 -0.24 0.00 0.02 0.00 0.00 55.97 54.64 2f8b s LYS 11 Cb -0.03 -1.67 0.06 0.00 -0.52 0.00 0.00 37.83 35.67 2f8b s LYS 11 CO 0.09 -1.13 1.19 0.42 -0.92 0.00 0.00 175.35 175.00 2f8b s ILE 12 N 1.14 4.06 -0.23 2.17 1.01 -0.18 -4.76 121.20 124.41 2f8b s ILE 12 Ca 0.15 -0.26 -0.29 0.00 0.00 0.00 0.00 60.65 60.25 2f8b s ILE 12 Cb -0.21 -4.85 -0.04 0.00 0.01 0.00 0.00 42.46 37.37 2f8b s ILE 12 CO -0.10 -1.70 1.88 -0.22 0.00 0.00 0.00 174.94 174.80 2f8b s LEU 13 N 4.72 3.69 0.00 2.97 0.20 -1.26 -0.77 118.68 128.23 2f8b s LEU 13 Ca 0.32 1.70 0.00 0.00 0.69 0.00 0.00 54.13 56.84 2f8b s LEU 13 Cb -0.09 -3.52 0.00 0.00 -0.43 0.00 0.00 46.19 42.14 2f8b s LEU 13 CO 0.06 -1.59 0.00 0.00 -0.29 0.00 0.00 176.35 174.54 2f8b s VAL 15 N -0.72 2.13 -0.12 0.00 -7.23 -1.26 -0.63 120.40 112.57 2f8b s VAL 15 Ca 0.00 -1.98 -0.29 0.00 -1.81 0.00 0.00 61.98 57.90 2f8b s VAL 15 Cb 0.00 -2.00 -0.03 0.00 0.56 0.00 0.00 36.38 34.91 2f8b s VAL 15 CO 0.00 -0.20 1.42 0.00 -0.31 0.00 0.00 175.10 176.01 2f8b n LYS 18 N -4.57 2.39 -0.02 0.00 -0.00 -1.26 -4.29 118.16 110.41 2f8b n LYS 18 Ca 0.21 -0.25 0.07 0.00 -0.00 0.00 0.00 58.31 58.34 2f8b n LYS 18 Cb 0.71 -1.15 -0.14 0.00 -0.00 0.00 0.00 35.03 34.46 2f8b n LYS 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2f8b n ASP 20 N -2.16 -0.02 -4.43 0.00 2.03 0.46 -4.99 116.55 107.45 2f8b n ASP 20 Ca -0.05 -1.19 -0.30 0.00 0.52 0.00 0.00 54.79 53.77 2f8b n ASP 20 Cb 0.51 -2.05 -0.13 0.00 -0.72 0.00 0.00 41.12 38.73 2f8b n ASP 20 CO 0.00 0.00 0.00 -0.83 -1.92 0.00 0.00 177.20 174.45 2f8b s GLY 21 N -4.16 1.57 0.10 0.27 0.00 -1.25 -4.88 107.32 98.97 2f8b s GLY 21 Ca 0.16 -1.29 -0.31 0.00 0.00 0.00 0.00 44.72 43.28 2f8b s GLY 21 CO 0.97 -1.22 1.64 -1.60 0.00 0.00 0.00 173.10 172.89 2f8b s ARG 22 N -1.67 4.20 0.11 2.90 3.00 -1.26 -0.01 118.95 126.21 2f8b s ARG 22 Ca 0.15 2.36 0.10 0.00 -1.00 0.00 0.00 55.73 57.34 2f8b s ARG 22 Cb -0.10 -3.48 -0.04 0.00 0.00 0.00 0.00 34.95 31.33 2f8b s ARG 22 CO 0.06 -0.71 -0.26 0.42 0.00 0.00 0.00 175.30 174.82 2f8b s ILE 23 N 2.23 2.31 -0.72 4.11 1.01 0.20 -4.85 121.20 125.49 2f8b s ILE 23 Ca 0.73 -1.64 0.01 0.00 0.00 0.00 0.00 60.65 59.76 2f8b s ILE 23 Cb -0.41 -2.00 0.18 0.00 0.01 0.00 0.00 42.46 40.24 2f8b s ILE 23 CO 0.32 0.16 0.54 -0.70 0.00 0.00 0.00 174.94 175.26 2f8b s GLU 24 N -1.87 2.66 -0.77 2.79 2.12 -1.26 -0.46 118.70 121.92 2f8b s GLU 24 Ca 0.14 -3.05 -0.25 0.00 0.36 0.00 0.00 54.97 52.16 2f8b s GLU 24 Cb -0.10 -3.64 -0.03 0.00 0.26 0.00 0.00 34.13 30.62 2f8b s GLU 24 CO 0.06 -1.23 1.89 -0.51 -0.54 0.00 0.00 175.26 174.93 2f8b s LEU 25 N -0.96 3.23 -1.08 2.70 1.43 0.05 -4.80 118.68 119.24 2f8b s LEU 25 Ca 0.23 -0.22 -0.18 0.00 -1.03 0.00 0.00 54.13 52.93 2f8b s LEU 25 Cb -0.12 -2.55 0.11 0.00 0.03 0.00 0.00 46.19 43.67 2f8b s LEU 25 CO -0.10 -2.55 1.39 -0.89 0.23 0.00 0.00 176.35 174.42 2f8b s THR 26 N 9.51 4.51 -0.14 5.49 2.01 -1.26 -1.01 115.64 134.75 2f8b s THR 26 Ca 0.68 -1.71 -0.08 0.00 0.31 0.00 0.00 61.69 60.90 2f8b s THR 26 Cb -0.09 -4.95 -0.04 0.00 0.01 0.00 0.00 72.50 67.42 2f8b s THR 26 CO 0.09 -1.73 0.13 0.68 -0.69 0.00 0.00 174.62 173.10 2f8b s VAL 27 N 3.22 5.44 -0.56 3.82 -7.23 -0.13 -4.87 120.40 120.08 2f8b s VAL 27 Ca 0.42 0.19 -0.12 0.00 -1.81 0.00 0.00 61.98 60.66 2f8b s VAL 27 Cb -0.02 -3.40 0.14 0.00 0.56 0.00 0.00 36.38 33.67 2f8b s VAL 27 CO -0.04 0.57 0.47 -0.70 -0.31 0.00 0.00 175.10 175.09 2f8b s GLU 28 N -0.63 2.84 -0.23 4.82 2.12 -1.26 -1.17 118.70 125.19 2f8b s GLU 28 Ca 0.13 -1.91 -0.15 0.00 0.36 0.00 0.00 54.97 53.40 2f8b s GLU 28 Cb -0.12 -4.13 0.07 0.00 0.26 0.00 0.00 34.13 30.21 2f8b s GLU 28 CO 0.02 -1.26 0.59 -1.12 -0.54 0.00 0.00 175.26 172.95 2f8b s SER 29 N 2.79 -0.74 0.50 -1.70 0.01 0.14 -4.84 113.70 109.86 2f8b s SER 29 Ca 0.07 1.26 -0.23 0.00 1.31 0.00 0.00 55.95 58.36 2f8b s SER 29 Cb -0.25 1.17 -0.07 0.00 0.21 0.00 0.00 66.02 67.08 2f8b s SER 29 CO -0.01 -0.22 1.38 -1.20 0.41 0.00 0.00 173.24 173.60 2f8b n SER 30 N 3.87 2.91 -0.36 2.44 7.64 -1.26 -4.35 113.62 124.52 2f8b n SER 30 Ca -0.19 1.04 0.08 0.00 1.01 0.00 0.00 58.87 60.81 2f8b n SER 30 Cb 0.57 -1.58 0.25 0.00 -1.01 0.00 0.00 64.21 62.44 2f8b n SER 30 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2f8b h ALA 31 N 1.82 1.52 0.00 -0.43 0.00 -1.93 0.37 119.26 120.61 2f8b h ALA 31 Ca -0.51 0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.40 2f8b h ALA 31 Cb 1.29 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.90 2f8b h ALA 31 CO 0.59 0.16 -0.34 0.93 0.00 0.00 0.00 179.25 180.58 2f8b h GLU 32 N 0.93 0.00 0.25 0.00 4.39 -1.97 -0.46 114.58 117.72 2f8b h GLU 32 Ca 0.51 0.00 -0.34 0.00 0.34 0.00 0.00 59.36 59.87 2f8b h GLU 32 Cb 0.56 0.00 0.04 0.00 -0.10 0.00 0.00 28.75 29.25 2f8b h GLU 32 CO -0.29 0.17 -1.50 0.22 -1.16 0.00 0.00 179.01 176.45 2f8b h ASP 33 N 0.00 0.84 -0.50 1.42 1.82 -1.33 0.42 116.42 119.09 2f8b h ASP 33 Ca -0.01 -0.91 0.06 0.00 -0.39 0.00 0.00 57.03 55.78 2f8b h ASP 33 Cb 1.15 -0.27 -0.05 0.00 0.68 0.00 0.00 39.33 40.84 2f8b h ASP 33 CO 0.02 1.72 0.21 0.25 -1.61 0.00 0.00 179.24 179.83 2f8b h LEU 34 N 0.15 0.27 -0.49 2.28 6.46 -0.37 -0.42 115.31 123.18 2f8b h LEU 34 Ca -0.26 0.05 -0.02 0.00 -0.12 0.00 0.00 57.88 57.52 2f8b h LEU 34 Cb 2.17 0.01 -0.02 0.00 -0.73 0.00 0.00 40.66 42.09 2f8b h LEU 34 CO 0.27 0.18 0.23 -0.09 -0.62 0.00 0.00 178.44 178.41 2f8b h ARG 35 N 0.42 0.72 -0.16 1.25 2.43 -1.01 0.31 114.38 118.34 2f8b h ARG 35 Ca 0.23 -0.11 0.03 0.00 -0.81 0.00 0.00 59.98 59.32 2f8b h ARG 35 Cb 0.21 -0.13 -0.03 0.00 -0.42 0.00 0.00 29.97 29.60 2f8b h ARG 35 CO -0.21 0.61 -0.02 1.15 -1.51 0.00 0.00 179.97 180.00 2f8b h THR 36 N 0.65 0.86 0.00 0.20 2.02 -0.47 0.40 112.91 116.57 2f8b h THR 36 Ca 0.17 -0.01 -0.04 0.00 0.77 0.00 0.00 66.41 67.30 2f8b h THR 36 Cb 0.14 0.83 -0.01 0.00 -1.74 0.00 0.00 68.15 67.38 2f8b h THR 36 CO -0.02 0.00 -0.18 0.17 0.37 0.00 0.00 175.52 175.87 2f8b h LEU 37 N 0.02 0.00 -1.04 2.58 8.10 -0.73 -0.31 115.31 123.93 2f8b h LEU 37 Ca 0.08 0.00 -0.10 0.00 0.11 0.00 0.00 57.88 57.97 2f8b h LEU 37 Cb 0.11 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 40.32 2f8b h LEU 37 CO -0.15 0.18 -0.38 -0.61 -4.11 0.00 0.00 178.44 173.37 2f8b h GLN 38 N 0.00 0.18 -0.12 0.17 4.15 0.55 0.16 115.11 120.19 2f8b h GLN 38 Ca -0.00 -0.08 -0.13 0.00 0.77 0.00 0.00 58.65 59.21 2f8b h GLN 38 Cb 0.47 -0.01 -0.01 0.00 0.21 0.00 0.00 27.48 28.15 2f8b h GLN 38 CO 0.02 0.54 -0.49 1.96 -1.93 0.00 0.00 178.83 178.93 2f8b h GLN 39 N 0.15 0.33 0.00 1.69 1.08 0.72 -1.22 115.11 117.86 2f8b h GLN 39 Ca 0.02 -0.18 -0.04 0.00 -1.45 0.00 0.00 58.65 56.99 2f8b h GLN 39 Cb 0.75 0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 28.19 2f8b h GLN 39 CO 0.06 0.75 -0.20 -0.07 -0.95 0.00 0.00 178.83 178.42 2f8b h LEU 40 N 0.26 0.00 -0.06 1.46 3.38 -0.53 0.17 115.31 119.99 2f8b h LEU 40 Ca 0.01 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.98 2f8b h LEU 40 Cb 0.96 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.71 2f8b h LEU 40 CO 0.08 0.20 0.03 0.15 0.09 0.00 0.00 178.44 178.99 2f8b h PHE 41 N 0.00 0.08 0.00 1.13 3.04 -0.38 -0.21 116.94 120.61 2f8b h PHE 41 Ca -0.00 -0.00 -0.03 0.00 3.98 0.00 0.00 57.97 61.91 2f8b h PHE 41 Cb 0.37 -0.03 -0.00 0.00 2.56 0.00 0.00 35.95 38.85 2f8b h PHE 41 CO 0.00 0.15 -0.16 -0.07 -2.02 0.00 0.00 178.31 176.21 2f8b h LEU 42 N -0.01 0.00 0.00 0.59 3.38 -0.70 -3.17 115.31 115.40 2f8b h LEU 42 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 2f8b h LEU 42 Cb 0.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.84 2f8b h LEU 42 CO -0.00 0.16 0.00 -0.24 0.09 0.00 0.00 178.44 178.44 2f8b n SER 43 N -3.39 0.00 0.00 -0.43 2.88 0.54 -4.93 113.62 108.30 2f8b n SER 43 Ca -0.00 0.22 0.00 0.00 -1.33 0.00 0.00 58.87 57.76 2f8b n SER 43 Cb 0.35 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.81 2f8b n SER 43 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 2f8b n THR 44 N -0.36 0.00 -2.43 2.46 -2.24 -0.68 -5.08 114.28 105.95 2f8b n THR 44 Ca 0.00 -0.00 -0.43 0.00 -2.27 0.00 0.00 64.05 61.35 2f8b n THR 44 Cb 0.00 0.89 -0.02 0.00 -2.10 0.00 0.00 70.33 69.10 2f8b n THR 44 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 2f8b s LEU 45 N -0.02 3.53 0.74 3.22 0.20 -0.18 -4.99 118.68 121.18 2f8b s LEU 45 Ca 0.00 0.54 -0.03 0.00 0.69 0.00 0.00 54.13 55.32 2f8b s LEU 45 Cb 0.00 -3.37 0.12 0.00 -0.43 0.00 0.00 46.19 42.51 2f8b s LEU 45 CO 0.00 -1.48 1.03 -0.94 -0.29 0.00 0.00 176.35 174.66 2f8b s SER 46 N 3.70 4.29 0.07 3.68 1.04 -1.26 -4.36 113.70 120.85 2f8b s SER 46 Ca 0.54 -0.16 0.06 0.00 0.48 0.00 0.00 55.95 56.87 2f8b s SER 46 Cb -0.11 -0.23 -0.03 0.00 0.10 0.00 0.00 66.02 65.75 2f8b s SER 46 CO 0.30 -1.90 -0.17 -0.36 0.98 0.00 0.00 173.24 172.08 2f8b s PHE 47 N -3.23 1.47 -0.31 5.02 0.08 -1.26 -5.03 117.98 114.72 2f8b s PHE 47 Ca 0.66 -0.41 -0.01 0.00 0.12 0.00 0.00 56.93 57.29 2f8b s PHE 47 Cb -0.06 -0.84 0.12 0.00 -0.57 0.00 0.00 43.02 41.68 2f8b s PHE 47 CO 0.45 0.10 0.21 0.08 -0.10 0.00 0.00 175.22 175.96 2f8b s VAL 48 N -1.06 -0.13 0.56 -0.44 1.01 -1.26 -1.23 120.40 117.85 2f8b s VAL 48 Ca 0.03 -0.93 -0.19 0.00 0.00 0.00 0.00 61.98 60.88 2f8b s VAL 48 Cb -0.09 -0.98 -0.06 0.00 0.00 0.00 0.00 36.38 35.25 2f8b s VAL 48 CO 0.02 -0.71 0.89 0.00 0.00 0.00 0.00 175.10 175.31 2f8b h PRO 50 N 0.63 0.00 0.16 0.00 0.13 -2.01 0.22 132.00 131.13 2f8b h PRO 50 Ca -0.47 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 64.67 2f8b h PRO 50 Cb 1.37 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.47 2f8b h PRO 50 CO 0.51 0.05 -0.21 2.35 -0.23 0.00 0.00 178.00 180.46 2f8b h TRP 51 N 0.00 -0.57 0.00 1.56 7.01 -1.99 -1.24 115.95 120.72 2f8b h TRP 51 Ca -0.00 0.01 0.00 0.00 2.11 0.00 0.00 58.89 61.01 2f8b h TRP 51 Cb 0.12 0.23 0.00 0.00 -2.10 0.00 0.00 29.16 27.41 2f8b h TRP 51 CO 0.00 -0.31 -0.01 0.00 -2.79 0.00 0.00 178.44 175.33 2f8b h ALA 53 N 2.15 1.28 0.13 0.00 0.00 -0.40 0.12 119.26 122.53 2f8b h ALA 53 Ca 0.00 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 2f8b h ALA 53 Cb 0.92 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.40 2f8b h ALA 53 CO 0.00 0.59 -0.06 1.15 0.00 0.00 0.00 179.25 180.93 2f8b h THR 54 N 1.11 0.98 0.00 0.00 2.02 -0.91 -3.38 112.91 112.73 2f8b h THR 54 Ca 0.28 -1.22 -0.00 0.00 0.77 0.00 0.00 66.41 66.24 2f8b h THR 54 Cb 0.02 1.66 -0.00 0.00 -1.74 0.00 0.00 68.15 68.09 2f8b h THR 54 CO -0.05 0.26 -0.71 0.78 0.37 0.00 0.00 175.52 176.17 2f8b h ASN 55 N -0.82 0.00 0.00 4.18 2.35 -0.99 -3.51 115.58 116.79 2f8b h ASN 55 Ca -0.02 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.73 2f8b h ASN 55 Cb 0.55 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.92 2f8b h ASN 55 CO 0.03 0.01 0.00 1.67 -1.65 0.00 0.00 177.43 177.49