#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1h7d n VAL 2 N 0.00 0.00 -1.27 1.12 0.24 -1.26 -4.94 118.33 112.23 1h7d n VAL 2 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 1h7d n VAL 2 Cb 0.00 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.37 1h7d n VAL 2 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1h7d n ALA 3 N 1.16 -1.05 0.00 2.33 0.00 -1.26 -5.05 120.51 116.63 1h7d n ALA 3 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1h7d n ALA 3 Cb 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 19.45 19.34 1h7d n ALA 3 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1h7d n ALA 4 N -0.95 0.00 0.03 0.00 0.00 -1.26 -5.04 120.51 113.29 1h7d n ALA 4 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1h7d n ALA 4 Cb 0.42 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.87 1h7d n ALA 4 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1h7d n ALA 5 N 0.00 0.00 -2.61 0.00 0.00 -1.26 -5.02 120.51 111.63 1h7d n ALA 5 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.42 1h7d n ALA 5 Cb 0.00 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.46 1h7d n ALA 5 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1h7d n MET 6 N -2.54 0.26 -4.30 0.00 3.85 -1.26 -4.98 117.12 108.14 1h7d n MET 6 Ca 0.00 -0.54 -0.31 0.00 -1.00 0.00 0.00 57.70 55.85 1h7d n MET 6 Cb 0.00 0.03 -0.09 0.00 -1.05 0.00 0.00 33.22 32.11 1h7d n MET 6 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 175.97 177.44 1h7d n LEU 7 N -0.43 -1.05 0.00 3.17 -0.00 -1.26 0.35 117.00 117.78 1h7d n LEU 7 Ca -0.16 -1.26 0.00 0.00 -0.00 0.00 0.00 56.01 54.59 1h7d n LEU 7 Cb 0.62 -1.64 0.00 0.00 -0.00 0.00 0.00 43.42 42.40 1h7d n LEU 7 CO -0.08 0.45 0.00 -0.11 -0.00 0.00 0.00 177.39 177.65 1h7d n LEU 8 N -4.55 0.00 0.00 1.47 7.94 -1.26 -4.15 117.00 116.45 1h7d n LEU 8 Ca -0.31 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.59 1h7d n LEU 8 Cb 0.69 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.64 1h7d n LEU 8 CO 0.85 0.00 0.00 0.54 -1.11 0.00 0.00 177.39 177.67 1h7d n ARG 9 N 0.00 0.00 -0.45 1.96 5.12 0.16 -5.01 116.66 118.43 1h7d n ARG 9 Ca 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 1h7d n ARG 9 Cb 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.30 1h7d n ARG 9 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 1h7d n SER 10 N -2.23 0.00 -4.87 0.55 2.88 -1.15 -4.75 113.62 104.05 1h7d n SER 10 Ca 0.00 0.00 -0.32 0.00 -1.33 0.00 0.00 58.87 57.22 1h7d n SER 10 Cb 0.00 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.41 1h7d n SER 10 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1h7d h PRO 12 N 2.26 -0.31 0.00 0.00 0.13 -1.97 -3.49 132.00 128.62 1h7d h PRO 12 Ca -0.47 0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1h7d h PRO 12 Cb 1.17 0.07 0.00 0.00 0.13 0.00 0.00 31.00 32.38 1h7d h PRO 12 CO 0.67 -0.21 0.00 0.28 -0.23 0.00 0.00 178.00 178.51 1h7d n VAL 13 N -4.85 0.00 -2.70 1.56 0.31 -1.26 -5.04 118.33 106.36 1h7d n VAL 13 Ca -0.04 0.00 -0.07 0.00 -0.01 0.00 0.00 64.34 64.22 1h7d n VAL 13 Cb 0.13 0.00 0.11 0.00 -0.91 0.00 0.00 33.84 33.17 1h7d n VAL 13 CO 0.00 0.00 0.00 -0.11 -1.32 0.00 0.00 176.83 175.40 1h7d n LEU 14 N -1.72 -1.93 0.00 7.52 -0.00 -1.26 -4.99 117.00 114.62 1h7d n LEU 14 Ca 0.00 -3.41 0.00 0.00 -0.00 0.00 0.00 56.01 52.60 1h7d n LEU 14 Cb 0.00 0.17 0.00 0.00 -0.00 0.00 0.00 43.42 43.59 1h7d n LEU 14 CO 0.00 1.89 0.00 -1.54 -0.00 0.00 0.00 177.39 177.74 1h7d n SER 15 N -0.47 0.00 0.00 1.96 3.41 -1.26 -4.08 113.62 113.17 1h7d n SER 15 Ca -0.03 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.58 1h7d n SER 15 Cb 0.82 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.77 1h7d n SER 15 CO 0.00 0.00 0.00 1.67 -0.16 0.00 0.00 175.04 176.55 1h7d n GLN 16 N 0.00 0.00 0.00 4.33 -0.06 -1.26 -5.07 117.38 115.32 1h7d n GLN 16 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.00 1h7d n GLN 16 Cb 0.00 0.00 0.00 0.00 -4.06 0.00 0.00 30.24 26.18 1h7d n GLN 16 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1h7d n GLY 17 N -1.31 -1.99 0.00 1.69 0.00 -1.26 -4.98 105.19 97.35 1h7d n GLY 17 Ca 0.00 0.66 0.00 0.00 0.00 0.00 0.00 46.02 46.68 1h7d n GLY 17 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1h7d n PRO 18 N 0.00 0.12 -0.82 1.61 -0.04 -1.26 -4.97 135.00 129.64 1h7d n PRO 18 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1h7d n PRO 18 Cb 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.46 1h7d n PRO 18 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 1h7d n THR 19 N -1.42 -1.80 0.00 0.52 -1.04 -1.26 -5.06 114.28 104.22 1h7d n THR 19 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1h7d n THR 19 Cb 0.00 -2.53 0.00 0.00 -1.82 0.00 0.00 70.33 65.98 1h7d n THR 19 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1h7d n GLY 20 N 0.30 0.07 2.56 3.41 0.00 -1.26 -5.13 105.19 105.14 1h7d n GLY 20 Ca 0.00 0.09 -0.19 0.00 0.00 0.00 0.00 46.02 45.92 1h7d n GLY 20 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1h7d s LEU 21 N 0.00 0.33 -0.05 0.99 1.43 -1.26 -4.93 118.68 115.20 1h7d s LEU 21 Ca 0.00 -2.44 0.18 0.00 -1.03 0.00 0.00 54.13 50.84 1h7d s LEU 21 Cb 0.00 0.40 -0.27 0.00 0.03 0.00 0.00 46.19 46.35 1h7d s LEU 21 CO 0.00 -0.15 0.34 0.00 0.23 0.00 0.00 176.35 176.77 1h7d n LEU 22 N 3.11 0.00 0.29 1.79 -0.00 -1.26 -4.29 117.00 116.64 1h7d n LEU 22 Ca 0.23 0.00 0.15 0.00 -0.00 0.00 0.00 56.01 56.39 1h7d n LEU 22 Cb 0.50 0.06 0.86 0.00 -0.00 0.00 0.00 43.42 44.83 1h7d n LEU 22 CO 0.05 0.06 1.06 1.23 -0.00 0.00 0.00 177.39 179.80 1h7d h GLY 23 N 3.28 0.00 1.46 1.47 0.00 -1.98 0.20 103.07 107.51 1h7d h GLY 23 Ca -0.07 0.00 -0.22 0.00 0.00 0.00 0.00 47.33 47.04 1h7d h GLY 23 CO 0.00 0.00 -0.90 1.70 0.00 0.00 0.00 176.54 177.35 1h7d h LYS 24 N 0.00 0.50 0.00 4.80 3.64 -1.99 0.32 116.57 123.84 1h7d h LYS 24 Ca -0.00 -0.50 0.00 0.00 -1.27 0.00 0.00 60.65 58.88 1h7d h LYS 24 Cb 0.17 0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.12 1h7d h LYS 24 CO 0.01 1.13 -0.20 0.28 -2.27 0.00 0.00 179.45 178.40 1h7d h VAL 25 N 0.30 0.00 0.00 2.00 2.07 -1.44 -2.71 116.25 116.48 1h7d h VAL 25 Ca -0.07 -0.64 -0.18 0.00 0.82 0.00 0.00 66.70 66.62 1h7d h VAL 25 Cb 1.52 1.51 -0.03 0.00 -1.52 0.00 0.00 31.29 32.78 1h7d h VAL 25 CO 0.16 0.00 -1.01 0.00 0.02 0.00 0.00 177.57 176.74 1h7d h ALA 26 N 2.36 0.21 0.13 1.67 0.00 -0.50 -3.34 119.26 119.80 1h7d h ALA 26 Ca 0.00 -1.07 0.01 0.00 0.00 0.00 0.00 54.91 53.85 1h7d h ALA 26 Cb 0.82 0.60 -0.02 0.00 0.00 0.00 0.00 17.79 19.18 1h7d h ALA 26 CO 0.00 0.57 -0.18 0.87 0.00 0.00 0.00 179.25 180.50 1h7d h LYS 27 N -1.00 -0.36 -1.58 0.00 1.57 -0.46 0.23 116.57 114.98 1h7d h LYS 27 Ca -0.28 0.02 0.46 0.00 -1.87 0.00 0.00 60.65 58.99 1h7d h LYS 27 Cb 1.24 0.08 -0.07 0.00 0.08 0.00 0.00 32.23 33.56 1h7d h LYS 27 CO -0.17 -0.24 1.13 0.00 -0.57 0.00 0.00 179.45 179.60 1h7d h THR 28 N -0.37 0.20 0.04 -0.16 1.03 -1.67 1.35 112.91 113.34 1h7d h THR 28 Ca 0.02 -0.00 -0.31 0.00 -0.01 0.00 0.00 66.41 66.10 1h7d h THR 28 Cb 0.37 0.19 -0.04 0.00 -1.07 0.00 0.00 68.15 67.60 1h7d h THR 28 CO -0.08 0.00 -1.75 0.22 -0.01 0.00 0.00 175.52 173.90 1h7d h TYR 29 N 0.01 0.16 0.00 0.00 3.20 -1.21 -2.69 116.97 116.45 1h7d h TYR 29 Ca 0.76 -0.12 0.00 0.00 3.14 0.00 0.00 58.73 62.51 1h7d h TYR 29 Cb 3.01 -0.01 0.00 0.00 1.54 0.00 0.00 36.73 41.27 1h7d h TYR 29 CO -0.00 1.24 0.00 0.94 -1.64 0.00 0.00 178.16 178.70 1h7d n GLN 30 N -3.20 0.07 -0.04 1.82 7.27 0.45 -1.53 117.38 122.22 1h7d n GLN 30 Ca -0.20 0.25 -0.03 0.00 0.07 0.00 0.00 57.00 57.08 1h7d n GLN 30 Cb 1.05 -1.50 -0.06 0.00 2.41 0.00 0.00 30.24 32.13 1h7d n GLN 30 CO 0.00 0.00 0.00 0.34 0.07 0.00 0.00 177.06 177.47 1h7d n PHE 31 N -1.42 0.00 -0.51 3.69 -0.00 -0.13 -4.49 117.46 114.60 1h7d n PHE 31 Ca 0.04 0.00 0.03 0.00 -0.00 0.00 0.00 57.45 57.52 1h7d n PHE 31 Cb 0.12 -0.37 0.31 0.00 -0.00 0.00 0.00 39.48 39.54 1h7d n PHE 31 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.76 178.04 1h7d n LEU 32 N -2.25 4.84 -0.06 -2.13 4.32 -0.98 -4.06 117.00 116.68 1h7d n LEU 32 Ca -0.12 -2.47 -0.09 0.00 -0.02 0.00 0.00 56.01 53.31 1h7d n LEU 32 Cb 0.71 -0.66 -0.05 0.00 -1.62 0.00 0.00 43.42 41.80 1h7d n LEU 32 CO 0.17 0.58 -0.89 0.33 -1.22 0.00 0.00 177.39 176.36 1h7d n PHE 33 N 0.39 0.00 -2.24 -1.77 7.35 -0.58 -4.72 117.46 115.89 1h7d n PHE 33 Ca 0.24 0.00 -0.41 0.00 -0.76 0.00 0.00 57.45 56.52 1h7d n PHE 33 Cb 1.03 -0.44 0.00 0.00 0.35 0.00 0.00 39.48 40.43 1h7d n PHE 33 CO 0.00 0.00 0.00 -1.13 -0.76 0.00 0.00 176.76 174.87 1h7d n SER 34 N -3.03 7.40 -0.04 -2.13 3.41 -1.26 -4.29 113.62 113.68 1h7d n SER 34 Ca -0.21 -3.27 -0.02 0.00 -0.26 0.00 0.00 58.87 55.11 1h7d n SER 34 Cb 0.70 -1.33 -0.08 0.00 -0.26 0.00 0.00 64.21 63.24 1h7d n SER 34 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 1h7d n ILE 35 N 1.55 0.51 0.00 -1.33 -5.35 -1.26 -5.03 119.36 108.46 1h7d n ILE 35 Ca 0.54 -0.39 0.00 0.00 -0.27 0.00 0.00 62.75 62.63 1h7d n ILE 35 Cb 0.27 -0.45 0.00 0.00 -1.74 0.00 0.00 39.64 37.72 1h7d n ILE 35 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1h7d n GLY 36 N 2.22 1.12 0.42 3.28 0.00 -1.26 -5.00 105.19 105.97 1h7d n GLY 36 Ca -0.13 0.54 0.24 0.00 0.00 0.00 0.00 46.02 46.68 1h7d n GLY 36 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1h7d h ARG 37 N 0.00 0.00 -4.44 1.61 1.12 -1.96 -3.46 114.38 107.26 1h7d h ARG 37 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.87 1h7d h ARG 37 Cb 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 29.96 1h7d h ARG 37 CO 0.00 0.00 -0.26 0.00 -3.11 0.00 0.00 179.97 176.60 1h7d s PRO 39 N -2.17 3.17 0.35 0.00 0.04 -1.26 -4.79 135.00 130.34 1h7d s PRO 39 Ca 0.13 -1.13 0.14 0.00 0.04 0.00 0.00 61.00 60.18 1h7d s PRO 39 Cb -0.04 -5.30 1.02 0.00 0.04 0.00 0.00 34.50 30.22 1h7d s PRO 39 CO 0.48 -2.93 1.71 0.97 0.04 0.00 0.00 177.00 177.27 1h7d h ILE 40 N 6.47 0.45 0.00 0.56 2.10 -2.02 -1.41 117.51 123.67 1h7d h ILE 40 Ca 0.24 -0.15 0.00 0.00 1.08 0.00 0.00 64.86 66.03 1h7d h ILE 40 Cb 0.96 -0.04 -0.00 0.00 -1.09 0.00 0.00 36.82 36.65 1h7d h ILE 40 CO 1.33 0.08 -0.05 -0.07 -1.08 0.00 0.00 178.15 178.37 1h7d h LEU 41 N 0.45 -0.14 0.00 2.19 3.38 -2.02 -3.43 115.31 115.73 1h7d h LEU 41 Ca 0.67 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.65 1h7d h LEU 41 Cb 1.48 0.05 0.00 0.00 0.09 0.00 0.00 40.66 42.28 1h7d h LEU 41 CO -0.47 -0.05 0.00 0.00 0.09 0.00 0.00 178.44 178.02 1h7d n ALA 42 N -2.52 0.00 -4.03 1.53 0.00 -0.53 -4.65 120.51 110.31 1h7d n ALA 42 Ca -0.01 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.14 1h7d n ALA 42 Cb 0.04 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.45 1h7d n ALA 42 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1h7d n THR 43 N 0.00 -2.80 -1.94 0.00 -2.24 -1.26 -4.79 114.28 101.25 1h7d n THR 43 Ca 0.00 -0.55 -0.03 0.00 -2.27 0.00 0.00 64.05 61.20 1h7d n THR 43 Cb 0.00 -2.38 -0.01 0.00 -2.10 0.00 0.00 70.33 65.84 1h7d n THR 43 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1h7d n GLN 44 N -4.48 0.16 -3.97 -0.78 10.64 -1.26 -5.15 117.38 112.54 1h7d n GLN 44 Ca -0.28 -0.52 -0.22 0.00 -1.83 0.00 0.00 57.00 54.15 1h7d n GLN 44 Cb 0.67 0.43 -0.02 0.00 -0.86 0.00 0.00 30.24 30.46 1h7d n GLN 44 CO 0.00 0.00 0.00 0.20 -1.83 0.00 0.00 177.06 175.43 1h7d s GLY 45 N -0.51 1.35 0.15 2.61 0.00 -1.26 -5.02 107.32 104.63 1h7d s GLY 45 Ca 0.01 -1.19 -0.03 0.00 0.00 0.00 0.00 44.72 43.51 1h7d s GLY 45 CO -0.01 -1.20 1.35 -0.56 0.00 0.00 0.00 173.10 172.67 1h7d h PRO 46 N 1.44 0.41 -3.31 2.90 0.13 -2.04 -3.50 132.00 128.03 1h7d h PRO 46 Ca -0.51 -0.40 0.00 0.00 -0.87 0.00 0.00 66.00 64.22 1h7d h PRO 46 Cb 1.22 0.10 0.00 0.00 0.13 0.00 0.00 31.00 32.45 1h7d h PRO 46 CO 0.63 1.06 -0.81 2.41 -0.23 0.00 0.00 178.00 181.06 1h7d n THR 47 N -3.78 -4.87 -0.10 1.56 -1.04 -1.26 -4.93 114.28 99.86 1h7d n THR 47 Ca -0.06 2.15 -0.13 0.00 -2.04 0.00 0.00 64.05 63.97 1h7d n THR 47 Cb 0.79 -2.96 -0.11 0.00 -1.82 0.00 0.00 70.33 66.22 1h7d n THR 47 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43