#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 0.43 -0.22 1.12 0.24 -1.26 -5.06 118.33 113.58 1h7d n VAL 2 Ca 0.00 -4.46 0.00 0.00 -2.04 0.00 0.00 64.34 57.84 1h7d n VAL 2 Cb 0.00 -0.26 0.00 0.00 -1.47 0.00 0.00 33.84 32.11 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 0.15 0.00 0.19 2.33 0.00 -1.26 -5.11 120.51 116.80 1h7d n ALA 3 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.67 1h7d n ALA 3 Cb 0.66 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.11 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 -3.00 0.77 0.11 0.00 0.00 -1.26 -5.07 120.51 112.06 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 -3.33 0.60 -3.36 0.00 0.00 -1.26 -5.02 120.51 108.14 1h7d n ALA 5 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.23 1h7d n ALA 5 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.41 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 -2.96 -1.67 0.17 0.00 -0.00 -1.26 -4.43 117.12 106.96 1h7d n MET 6 Ca 0.00 0.07 0.00 0.00 -0.00 0.00 0.00 57.70 57.77 1h7d n MET 6 Cb 0.00 -4.15 0.00 0.00 -0.00 0.00 0.00 33.22 29.07 1h7d n MET 6 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 175.97 177.25 1h7d n LEU 7 N -3.04 -1.04 -2.26 3.17 4.77 -1.26 -5.13 117.00 112.20 1h7d n LEU 7 Ca 0.06 0.59 -0.04 0.00 -0.03 0.00 0.00 56.01 56.59 1h7d n LEU 7 Cb 0.42 1.16 -0.03 0.00 -2.33 0.00 0.00 43.42 42.64 1h7d n LEU 7 CO 0.48 -0.57 -0.48 0.18 -1.33 0.00 0.00 177.39 175.66 1h7d n LEU 8 N -3.49 -4.99 -2.08 2.23 4.77 -1.26 -5.04 117.00 107.14 1h7d n LEU 8 Ca 0.00 1.71 -0.02 0.00 -0.03 0.00 0.00 56.01 57.67 1h7d n LEU 8 Cb 0.00 -2.65 0.02 0.00 -2.33 0.00 0.00 43.42 38.46 1h7d n LEU 8 CO 0.00 -2.88 0.44 -2.11 -1.33 0.00 0.00 177.39 171.50 1h7d n ARG 9 N 1.24 0.31 -2.69 3.23 1.85 -1.26 -5.02 116.66 114.33 1h7d n ARG 9 Ca -0.29 -0.47 -0.06 0.00 -1.00 0.00 0.00 57.85 56.03 1h7d n ARG 9 Cb 0.45 0.06 0.08 0.00 -1.05 0.00 0.00 32.46 32.01 1h7d n ARG 9 CO 0.00 0.00 0.00 0.43 -0.01 0.00 0.00 177.63 178.05 1h7d n SER 10 N -0.42 -1.70 -3.95 2.89 7.64 -1.26 -5.14 113.62 111.68 1h7d n SER 10 Ca -0.11 -2.33 -0.10 0.00 1.01 0.00 0.00 58.87 57.34 1h7d n SER 10 Cb 0.62 1.12 -0.11 0.00 -1.01 0.00 0.00 64.21 64.83 1h7d n SER 10 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1h7d s PRO 12 N -1.52 3.63 0.26 0.00 0.04 -1.26 -4.95 135.00 131.20 1h7d s PRO 12 Ca -0.15 1.27 0.00 0.00 0.04 0.00 0.00 61.00 62.17 1h7d s PRO 12 Cb -0.09 -2.07 0.00 0.00 0.04 0.00 0.00 34.50 32.38 1h7d s PRO 12 CO -0.00 -0.56 0.00 0.28 0.04 0.00 0.00 177.00 176.75 1h7d n VAL 13 N -1.41 0.00 0.12 -0.36 0.31 -1.26 -5.06 118.33 110.67 1h7d n VAL 13 Ca 0.09 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.42 1h7d n VAL 13 Cb 0.53 -0.40 0.00 0.00 -0.91 0.00 0.00 33.84 33.06 1h7d n VAL 13 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 1h7d n LEU 14 N -3.26 -0.01 0.00 7.52 4.77 -1.26 -5.03 117.00 119.72 1h7d n LEU 14 Ca 0.00 0.39 0.00 0.00 -0.03 0.00 0.00 56.01 56.37 1h7d n LEU 14 Cb 0.00 0.28 0.00 0.00 -2.33 0.00 0.00 43.42 41.37 1h7d n LEU 14 CO 0.00 -0.75 0.00 -0.24 -1.33 0.00 0.00 177.39 175.07 1h7d n SER 15 N -3.35 0.00 -3.30 -1.43 2.88 -1.26 -4.41 113.62 102.75 1h7d n SER 15 Ca 0.00 0.00 -0.25 0.00 -1.33 0.00 0.00 58.87 57.29 1h7d n SER 15 Cb 0.00 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 63.38 1h7d n SER 15 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1h7d n GLN 16 N 0.00 1.51 0.00 -1.46 6.02 -1.26 -4.92 117.38 117.26 1h7d n GLN 16 Ca 0.00 -3.87 0.00 0.00 -0.01 0.00 0.00 57.00 53.12 1h7d n GLN 16 Cb 0.00 -1.69 0.00 0.00 1.02 0.00 0.00 30.24 29.57 1h7d n GLN 16 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1h7d n GLY 17 N 1.20 0.21 2.77 1.08 0.00 -1.26 -4.87 105.19 104.31 1h7d n GLY 17 Ca 0.25 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.89 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 -1.40 2.36 0.13 1.61 -0.04 -1.26 -3.79 135.00 132.61 1h7d n PRO 18 Ca 0.00 -2.05 0.00 0.00 -0.04 0.00 0.00 63.50 61.41 1h7d n PRO 18 Cb 0.00 -2.92 0.00 0.00 -0.04 0.00 0.00 33.50 30.54 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 5.00 0.15 0.00 0.52 -1.04 -1.26 -5.10 114.28 112.55 1h7d n THR 19 Ca 0.54 0.05 0.00 0.00 -2.04 0.00 0.00 64.05 62.60 1h7d n THR 19 Cb 0.32 -0.64 0.00 0.00 -1.82 0.00 0.00 70.33 68.19 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 1.75 -0.23 2.70 3.41 0.00 -1.25 -5.05 105.19 106.52 1h7d n GLY 20 Ca 0.00 -0.25 -0.36 0.00 0.00 0.00 0.00 46.02 45.41 1h7d n GLY 20 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 1h7d n LEU 21 N 0.00 7.36 0.11 0.99 -0.00 -1.26 -4.19 117.00 120.01 1h7d n LEU 21 Ca 0.00 -4.55 0.00 0.00 -0.00 0.00 0.00 56.01 51.46 1h7d n LEU 21 Cb 0.00 -1.08 0.00 0.00 -0.00 0.00 0.00 43.42 42.34 1h7d n LEU 21 CO 0.00 1.68 0.00 -0.11 -0.00 0.00 0.00 177.39 178.96 1h7d n LEU 22 N -0.35 0.31 -0.25 1.47 7.94 -1.26 -4.62 117.00 120.24 1h7d n LEU 22 Ca 0.54 0.35 -0.04 0.00 -1.11 0.00 0.00 56.01 55.75 1h7d n LEU 22 Cb 0.38 0.12 0.07 0.00 0.53 0.00 0.00 43.42 44.52 1h7d n LEU 22 CO 0.53 -0.78 1.15 1.23 -1.11 0.00 0.00 177.39 178.42 1h7d h GLY 23 N 0.00 1.00 2.00 -3.96 0.00 -1.99 1.49 103.07 101.60 1h7d h GLY 23 Ca 0.00 -0.35 0.00 0.00 0.00 0.00 0.00 47.33 46.98 1h7d h GLY 23 CO 0.00 0.32 0.00 0.07 0.00 0.00 0.00 176.54 176.93 1h7d h LYS 24 N 0.90 0.00 0.00 4.80 2.10 -1.89 -2.08 116.57 120.39 1h7d h LYS 24 Ca 0.27 0.00 -0.03 0.00 -2.00 0.00 0.00 60.65 58.89 1h7d h LYS 24 Cb -0.04 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.28 1h7d h LYS 24 CO -0.08 0.00 -1.74 0.28 -2.00 0.00 0.00 179.45 175.91 1h7d n VAL 25 N -2.58 0.31 0.20 0.07 0.31 0.15 -3.78 118.33 113.02 1h7d n VAL 25 Ca 0.02 -0.55 -0.09 0.00 -0.01 0.00 0.00 64.34 63.72 1h7d n VAL 25 Cb 0.29 -0.15 -0.04 0.00 -0.91 0.00 0.00 33.84 33.02 1h7d n VAL 25 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1h7d h ALA 26 N 1.91 -0.61 -0.54 3.52 0.00 0.26 -2.75 119.26 121.06 1h7d h ALA 26 Ca -0.04 -0.13 0.11 0.00 0.00 0.00 0.00 54.91 54.85 1h7d h ALA 26 Cb 1.11 0.22 -0.09 0.00 0.00 0.00 0.00 17.79 19.03 1h7d h ALA 26 CO 0.00 -0.57 -0.03 1.57 0.00 0.00 0.00 179.25 180.22 1h7d h LYS 27 N -1.08 0.08 -0.52 0.00 2.10 -1.67 0.32 116.57 115.81 1h7d h LYS 27 Ca -0.06 -0.00 0.07 0.00 -2.00 0.00 0.00 60.65 58.66 1h7d h LYS 27 Cb 0.44 -0.02 -0.10 0.00 -0.90 0.00 0.00 32.23 31.65 1h7d h LYS 27 CO 0.10 0.05 -0.49 1.15 -2.00 0.00 0.00 179.45 178.26 1h7d h THR 28 N 0.08 0.05 -0.57 0.07 2.02 -1.65 0.16 112.91 113.07 1h7d h THR 28 Ca 0.27 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 67.41 1h7d h THR 28 Cb 0.42 0.05 -0.03 0.00 -1.74 0.00 0.00 68.15 66.86 1h7d h THR 28 CO -0.48 0.00 0.19 0.22 0.37 0.00 0.00 175.52 175.81 1h7d h TYR 29 N -0.29 0.87 0.00 3.16 5.03 -0.96 0.25 116.97 125.03 1h7d h TYR 29 Ca 0.13 -0.06 0.00 0.00 2.58 0.00 0.00 58.73 61.38 1h7d h TYR 29 Cb 0.57 -0.26 0.00 0.00 1.55 0.00 0.00 36.73 38.59 1h7d h TYR 29 CO -0.72 0.70 0.08 1.96 -1.32 0.00 0.00 178.16 178.86 1h7d h GLN 30 N 0.83 0.00 0.00 1.82 4.20 0.24 0.56 115.11 122.77 1h7d h GLN 30 Ca 0.19 0.00 -0.21 0.00 0.06 0.00 0.00 58.65 58.69 1h7d h GLN 30 Cb 0.23 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 27.97 1h7d h GLN 30 CO -0.01 0.00 -1.78 0.34 -0.67 0.00 0.00 178.83 176.71 1h7d n PHE 31 N -2.61 0.00 -0.68 2.96 7.35 -0.37 -4.45 117.46 119.66 1h7d n PHE 31 Ca -0.02 0.00 -0.02 0.00 -0.76 0.00 0.00 57.45 56.65 1h7d n PHE 31 Cb 0.13 -0.56 0.28 0.00 0.35 0.00 0.00 39.48 39.68 1h7d n PHE 31 CO 0.00 0.00 0.00 1.28 -0.76 0.00 0.00 176.76 177.28 1h7d n LEU 32 N -2.52 5.36 -0.07 -2.13 4.32 0.75 -4.33 117.00 118.38 1h7d n LEU 32 Ca -0.20 -2.77 -0.08 0.00 -0.02 0.00 0.00 56.01 52.94 1h7d n LEU 32 Cb 0.85 -0.70 -0.04 0.00 -1.62 0.00 0.00 43.42 41.91 1h7d n LEU 32 CO 0.22 0.69 -0.27 0.15 -1.22 0.00 0.00 177.39 176.96 1h7d h PHE 33 N 2.55 0.00 0.00 -1.77 3.57 -0.13 -3.38 116.94 117.78 1h7d h PHE 33 Ca 0.17 0.00 -0.42 0.00 3.53 0.00 0.00 57.97 61.26 1h7d h PHE 33 Cb 2.01 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 40.75 1h7d h PHE 33 CO 1.06 0.39 2.00 0.45 -2.23 0.00 0.00 178.31 179.98 1h7d n SER 34 N -4.61 6.39 0.00 0.41 2.88 -1.26 -4.36 113.62 113.07 1h7d n SER 34 Ca -0.11 -2.44 0.00 0.00 -1.33 0.00 0.00 58.87 54.99 1h7d n SER 34 Cb 0.32 -1.34 0.00 0.00 -0.75 0.00 0.00 64.21 62.44 1h7d n SER 34 CO 0.00 0.00 0.00 -0.38 -1.23 0.00 0.00 175.04 173.43 1h7d n ILE 35 N 3.30 0.00 -4.45 2.46 2.08 -1.26 -5.07 119.36 116.42 1h7d n ILE 35 Ca 0.56 0.00 -0.34 0.00 0.56 0.00 0.00 62.75 63.53 1h7d n ILE 35 Cb 0.43 -0.06 -0.14 0.00 -0.75 0.00 0.00 39.64 39.12 1h7d n ILE 35 CO 0.00 0.00 0.00 -0.83 0.56 0.00 0.00 176.55 176.28 1h7d s GLY 36 N -0.38 1.58 0.00 7.39 0.00 -1.26 -4.71 107.32 109.94 1h7d s GLY 36 Ca 0.00 -0.97 0.00 0.00 0.00 0.00 0.00 44.72 43.75 1h7d s GLY 36 CO 0.00 0.02 0.00 0.54 0.00 0.00 0.00 173.10 173.66 1h7d n ARG 37 N 3.93 0.00 -3.87 2.90 1.74 -1.26 -5.08 116.66 115.02 1h7d n ARG 37 Ca -0.18 0.00 -0.11 0.00 -0.77 0.00 0.00 57.85 56.79 1h7d n ARG 37 Cb 0.52 0.00 -0.10 0.00 -1.02 0.00 0.00 32.46 31.86 1h7d n ARG 37 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1h7d n PRO 39 N 1.35 2.29 0.23 0.00 -0.04 -1.26 -4.69 135.00 132.88 1h7d n PRO 39 Ca -0.22 -2.57 0.09 0.00 -0.04 0.00 0.00 63.50 60.76 1h7d n PRO 39 Cb 0.56 -3.38 0.65 0.00 -0.04 0.00 0.00 33.50 31.29 1h7d n PRO 39 CO 0.00 0.00 0.00 0.97 -0.04 0.00 0.00 175.50 176.43 1h7d h ILE 40 N 5.14 0.96 -0.16 0.52 2.10 -1.97 -3.32 117.51 120.77 1h7d h ILE 40 Ca 0.41 0.00 -0.25 0.00 1.08 0.00 0.00 64.86 66.10 1h7d h ILE 40 Cb 0.79 0.97 -0.16 0.00 -1.09 0.00 0.00 36.82 37.33 1h7d h ILE 40 CO 1.61 0.00 -0.53 0.00 -1.08 0.00 0.00 178.15 178.14 1h7d n LEU 41 N -4.50 -2.54 -3.38 2.19 -0.00 -1.26 -5.01 117.00 102.49 1h7d n LEU 41 Ca -0.02 -3.50 -0.19 0.00 -0.00 0.00 0.00 56.01 52.30 1h7d n LEU 41 Cb 0.15 0.84 0.01 0.00 -0.00 0.00 0.00 43.42 44.42 1h7d n LEU 41 CO 0.34 2.02 -0.05 0.00 -0.00 0.00 0.00 177.39 179.71 1h7d n ALA 42 N 1.37 -2.65 0.13 1.47 0.00 -1.25 -4.94 120.51 114.65 1h7d n ALA 42 Ca 0.09 0.17 -0.06 0.00 0.00 0.00 0.00 53.44 53.65 1h7d n ALA 42 Cb 0.64 -1.76 -0.03 0.00 0.00 0.00 0.00 19.45 18.29 1h7d n ALA 42 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1h7d h THR 43 N 0.81 0.00 0.00 0.00 2.02 -1.88 -3.47 112.91 110.39 1h7d h THR 43 Ca -0.35 -0.49 0.00 0.00 0.77 0.00 0.00 66.41 66.33 1h7d h THR 43 Cb 1.23 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.64 1h7d h THR 43 CO 0.29 0.00 0.00 0.00 0.37 0.00 0.00 175.52 176.18 1h7d n GLN 44 N -4.44 0.00 -2.90 6.66 6.02 -1.26 -5.12 117.38 116.34 1h7d n GLN 44 Ca -0.05 0.00 0.04 0.00 -0.01 0.00 0.00 57.00 56.98 1h7d n GLN 44 Cb 0.16 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.42 1h7d n GLN 44 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.06 176.25 1h7d s GLY 45 N 0.00 -1.25 0.90 1.08 0.00 -1.26 -5.12 107.32 101.68 1h7d s GLY 45 Ca 0.00 1.93 -0.12 0.00 0.00 0.00 0.00 44.72 46.53 1h7d s GLY 45 CO 0.00 4.34 1.14 2.56 0.00 0.00 0.00 173.10 181.14 1h7d s PRO 46 N 2.46 1.20 -0.08 2.90 0.04 -1.26 -4.75 135.00 135.52 1h7d s PRO 46 Ca 0.23 0.31 -0.06 0.00 0.04 0.00 0.00 61.00 61.52 1h7d s PRO 46 Cb 0.03 -1.84 0.02 0.00 0.04 0.00 0.00 34.50 32.74 1h7d s PRO 46 CO -0.19 -2.16 0.12 2.41 0.04 0.00 0.00 177.00 177.22 1h7d n THR 47 N -3.74-11.47 -0.05 1.26 -1.04 -1.26 -4.99 114.28 93.00 1h7d n THR 47 Ca 0.07 2.58 -0.02 0.00 -2.04 0.00 0.00 64.05 64.64 1h7d n THR 47 Cb 0.59 -5.75 -0.01 0.00 -1.82 0.00 0.00 70.33 63.34 1h7d n THR 47 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43