#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 -8.73 0.00 2.03 0.31 -1.26 -5.03 118.33 105.66 1h7d n VAL 2 Ca 0.00 2.74 0.00 0.00 -0.01 0.00 0.00 64.34 67.07 1h7d n VAL 2 Cb 0.00 -4.17 0.00 0.00 -0.91 0.00 0.00 33.84 28.76 1h7d n VAL 2 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1h7d n ALA 3 N 1.04 0.00 -2.55 3.52 0.00 -1.26 -4.93 120.51 116.33 1h7d n ALA 3 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.40 1h7d n ALA 3 Cb 0.00 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.46 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 -2.79 -2.69 0.00 0.00 -1.26 -5.05 120.51 105.72 1h7d n ALA 4 Ca 0.00 0.63 0.00 0.00 0.00 0.00 0.00 53.44 54.07 1h7d n ALA 4 Cb 0.00 -2.34 0.02 0.00 0.00 0.00 0.00 19.45 17.13 1h7d n ALA 4 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1h7d s ALA 5 N -2.44 -4.74 -0.23 0.00 0.00 -1.26 -5.02 121.76 108.07 1h7d s ALA 5 Ca 0.13 1.22 0.18 0.00 0.00 0.00 0.00 51.96 53.49 1h7d s ALA 5 Cb -0.04 -3.04 0.10 0.00 0.00 0.00 0.00 23.12 20.14 1h7d s ALA 5 CO 0.57 -2.54 1.36 0.00 0.00 0.00 0.00 175.76 175.15 1h7d h MET 6 N 4.89 0.00 -6.73 0.00 -0.00 -2.04 -3.48 114.93 107.57 1h7d h MET 6 Ca -0.04 0.00 -0.49 0.00 -0.00 0.00 0.00 59.70 59.17 1h7d h MET 6 Cb 1.22 0.00 -0.00 0.00 -0.00 0.00 0.00 31.60 32.82 1h7d h MET 6 CO -0.10 0.30 -1.06 -0.11 -0.00 0.00 0.00 176.91 175.94 1h7d n LEU 7 N -3.10 -1.85 -3.06 -0.10 7.94 -1.26 -4.94 117.00 110.63 1h7d n LEU 7 Ca 0.01 -0.98 -0.01 0.00 -1.11 0.00 0.00 56.01 53.92 1h7d n LEU 7 Cb 0.68 -1.67 -0.00 0.00 0.53 0.00 0.00 43.42 42.96 1h7d n LEU 7 CO 0.39 0.39 0.11 -0.22 -1.11 0.00 0.00 177.39 176.95 1h7d s LEU 8 N -5.19 -1.49 0.01 -1.96 0.20 -1.26 -4.99 118.68 104.00 1h7d s LEU 8 Ca 0.05 -1.07 0.00 0.00 0.69 0.00 0.00 54.13 53.80 1h7d s LEU 8 Cb -0.03 1.92 0.00 0.00 -0.43 0.00 0.00 46.19 47.65 1h7d s LEU 8 CO 0.90 -0.13 0.00 0.54 -0.29 0.00 0.00 176.35 177.37 1h7d n ARG 9 N 3.94 0.00 -4.03 1.98 5.12 -1.26 -5.04 116.66 117.37 1h7d n ARG 9 Ca 0.13 0.00 -0.31 0.00 -1.93 0.00 0.00 57.85 55.74 1h7d n ARG 9 Cb 0.57 0.00 -0.00 0.00 -1.16 0.00 0.00 32.46 31.87 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 -2.54 -3.08 -3.59 0.55 2.88 -1.26 -4.92 113.62 101.66 1h7d n SER 10 Ca 0.00 -0.92 -0.09 0.00 -1.33 0.00 0.00 58.87 56.53 1h7d n SER 10 Cb 0.00 -3.30 -0.05 0.00 -0.75 0.00 0.00 64.21 60.11 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 2.51 -0.16 0.00 0.00 0.13 -2.05 -3.48 132.00 128.95 1h7d h PRO 12 Ca -0.17 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.97 1h7d h PRO 12 Cb 1.17 0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1h7d h PRO 12 CO 0.29 -0.11 0.00 1.55 -0.23 0.00 0.00 178.00 179.51 1h7d n VAL 13 N -3.47 0.00 -2.83 1.56 3.14 -1.26 -5.04 118.33 110.43 1h7d n VAL 13 Ca -0.02 0.00 -0.10 0.00 -2.96 0.00 0.00 64.34 61.26 1h7d n VAL 13 Cb 0.07 0.00 0.05 0.00 -1.06 0.00 0.00 33.84 32.90 1h7d n VAL 13 CO 0.00 0.00 0.00 0.18 -6.46 0.00 0.00 176.83 170.55 1h7d n LEU 14 N -1.48 -3.14 0.00 6.55 4.77 -1.26 -3.48 117.00 118.96 1h7d n LEU 14 Ca 0.00 -0.35 0.00 0.00 -0.03 0.00 0.00 56.01 55.63 1h7d n LEU 14 Cb 0.00 -2.00 0.00 0.00 -2.33 0.00 0.00 43.42 39.09 1h7d n LEU 14 CO 0.00 0.22 0.00 -0.24 -1.33 0.00 0.00 177.39 176.04 1h7d n SER 15 N -2.16 0.00 0.00 -1.43 2.88 -1.26 -2.84 113.62 108.82 1h7d n SER 15 Ca -0.16 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.38 1h7d n SER 15 Cb 0.59 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.05 1h7d n SER 15 CO 0.00 0.00 0.00 1.67 -1.23 0.00 0.00 175.04 175.48 1h7d n GLN 16 N 0.00 0.00 0.00 -1.46 0.00 -1.23 -5.04 117.38 109.65 1h7d n GLN 16 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 57.00 1h7d n GLN 16 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.24 1h7d n GLN 16 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1h7d n GLY 17 N -1.33 -0.37 0.19 1.69 0.00 -1.19 -4.97 105.19 99.21 1h7d n GLY 17 Ca 0.00 0.31 -0.18 0.00 0.00 0.00 0.00 46.02 46.14 1h7d n GLY 17 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1h7d h PRO 18 N 0.00 0.64 -1.10 1.61 0.13 -1.94 -3.17 132.00 128.17 1h7d h PRO 18 Ca 0.00 -0.63 -0.30 0.00 -0.87 0.00 0.00 66.00 64.20 1h7d h PRO 18 Cb 0.00 0.16 -0.17 0.00 0.13 0.00 0.00 31.00 31.13 1h7d h PRO 18 CO 0.00 1.23 0.39 2.41 -0.23 0.00 0.00 178.00 181.80 1h7d n THR 19 N -4.00 2.36 -0.08 1.56 -1.04 -1.26 -4.23 114.28 107.58 1h7d n THR 19 Ca -0.10 -1.22 -0.11 0.00 -2.04 0.00 0.00 64.05 60.58 1h7d n THR 19 Cb 0.77 -0.84 -0.06 0.00 -1.82 0.00 0.00 70.33 68.38 1h7d n THR 19 CO 0.00 0.00 0.00 1.23 -0.64 0.00 0.00 175.07 175.66 1h7d h GLY 20 N 2.38 0.00 -5.14 3.41 0.00 -1.49 -3.39 103.07 98.84 1h7d h GLY 20 Ca 0.35 0.00 -0.66 0.00 0.00 0.00 0.00 47.33 47.02 1h7d h GLY 20 CO 0.67 0.00 1.10 1.04 0.00 0.00 0.00 176.54 179.35 1h7d n LEU 21 N -4.57 7.20 0.01 3.11 4.77 -1.26 -4.24 117.00 122.02 1h7d n LEU 21 Ca -0.16 -4.62 -0.02 0.00 -0.03 0.00 0.00 56.01 51.18 1h7d n LEU 21 Cb 0.41 -1.22 -0.01 0.00 -2.33 0.00 0.00 43.42 40.27 1h7d n LEU 21 CO 0.14 1.86 -0.37 -0.11 -1.33 0.00 0.00 177.39 177.59 1h7d n LEU 22 N 0.62 0.70 0.30 2.23 -0.00 -1.26 -4.57 117.00 115.00 1h7d n LEU 22 Ca 0.53 0.10 0.16 0.00 -0.00 0.00 0.00 56.01 56.79 1h7d n LEU 22 Cb 0.37 -0.23 0.92 0.00 -0.00 0.00 0.00 43.42 44.48 1h7d n LEU 22 CO 0.48 -0.29 1.10 1.23 -0.00 0.00 0.00 177.39 179.91 1h7d h GLY 23 N -0.12 0.00 2.00 -3.96 0.00 -1.82 0.43 103.07 99.60 1h7d h GLY 23 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.28 1h7d h GLY 23 CO -0.03 0.00 0.00 0.50 0.00 0.00 0.00 176.54 177.01 1h7d h LYS 24 N 0.00 0.00 0.00 4.80 1.57 -1.83 0.14 116.57 121.25 1h7d h LYS 24 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1h7d h LYS 24 Cb 0.07 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.38 1h7d h LYS 24 CO 0.00 0.00 -1.21 0.28 -0.57 0.00 0.00 179.45 177.95 1h7d n VAL 25 N -2.57 0.00 -0.04 0.50 0.31 0.86 -4.08 118.33 113.30 1h7d n VAL 25 Ca 0.03 -0.26 -0.03 0.00 -0.01 0.00 0.00 64.34 64.07 1h7d n VAL 25 Cb 0.36 0.50 -0.01 0.00 -0.91 0.00 0.00 33.84 33.78 1h7d n VAL 25 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1h7d n ALA 26 N -1.70 0.26 -0.21 3.52 0.00 0.11 -3.97 120.51 118.52 1h7d n ALA 26 Ca -0.01 -0.30 0.02 0.00 0.00 0.00 0.00 53.44 53.15 1h7d n ALA 26 Cb 0.28 0.01 0.12 0.00 0.00 0.00 0.00 19.45 19.86 1h7d n ALA 26 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.50 179.07 1h7d h LYS 27 N -0.56 0.18 -0.96 0.00 2.10 -0.96 0.20 116.57 116.58 1h7d h LYS 27 Ca 0.00 -0.01 0.30 0.00 -2.00 0.00 0.00 60.65 58.94 1h7d h LYS 27 Cb 0.29 -0.04 -0.15 0.00 -0.90 0.00 0.00 32.23 31.43 1h7d h LYS 27 CO 0.00 0.12 0.41 0.00 -2.00 0.00 0.00 179.45 177.98 1h7d h THR 28 N 0.19 0.25 -0.38 0.07 1.03 -1.71 1.41 112.91 113.77 1h7d h THR 28 Ca 0.33 -0.08 -0.07 0.00 -0.01 0.00 0.00 66.41 66.58 1h7d h THR 28 Cb 0.53 0.00 -0.02 0.00 -1.07 0.00 0.00 68.15 67.60 1h7d h THR 28 CO -0.48 0.04 -0.07 0.22 -0.01 0.00 0.00 175.52 175.22 1h7d h TYR 29 N 0.23 0.69 -0.63 0.00 3.20 -0.73 -1.73 116.97 117.99 1h7d h TYR 29 Ca 0.68 -0.10 -0.11 0.00 3.14 0.00 0.00 58.73 62.33 1h7d h TYR 29 Cb 1.51 -0.19 -0.06 0.00 1.54 0.00 0.00 36.73 39.53 1h7d h TYR 29 CO -0.13 0.70 0.14 0.94 -1.64 0.00 0.00 178.16 178.16 1h7d n GLN 30 N -4.20 4.16 -0.01 1.82 7.27 0.44 -4.09 117.38 122.77 1h7d n GLN 30 Ca 0.01 -2.96 -0.02 0.00 0.07 0.00 0.00 57.00 54.11 1h7d n GLN 30 Cb 0.32 -2.21 -0.01 0.00 2.41 0.00 0.00 30.24 30.75 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 0.23 0.00 0.24 3.69 -0.00 0.14 -4.52 117.46 117.24 1h7d n PHE 31 Ca 0.33 0.00 0.11 0.00 -0.00 0.00 0.00 57.45 57.89 1h7d n PHE 31 Cb 1.26 -0.08 0.60 0.00 -0.00 0.00 0.00 39.48 41.26 1h7d n PHE 31 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 176.76 176.69 1h7d h LEU 32 N -0.02 0.00 -2.41 -2.13 3.38 -1.51 -1.43 115.31 111.19 1h7d h LEU 32 Ca -0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.92 1h7d h LEU 32 Cb 1.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.81 1h7d h LEU 32 CO -0.01 0.17 0.00 0.49 0.09 0.00 0.00 178.44 179.18 1h7d n PHE 33 N -3.51 1.13 -3.25 1.13 3.01 -1.26 -4.64 117.46 110.06 1h7d n PHE 33 Ca -0.01 -0.44 -0.04 0.00 1.01 0.00 0.00 57.45 57.97 1h7d n PHE 33 Cb 0.33 -0.22 -0.04 0.00 -0.01 0.00 0.00 39.48 39.55 1h7d n PHE 33 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 1h7d s SER 34 N -0.75 -0.41 -0.35 4.37 0.15 -0.54 -5.08 113.70 111.10 1h7d s SER 34 Ca 0.37 -0.39 0.04 0.00 0.70 0.00 0.00 55.95 56.67 1h7d s SER 34 Cb 0.24 1.45 0.17 0.00 -1.71 0.00 0.00 66.02 66.17 1h7d s SER 34 CO 0.17 -0.30 0.48 0.27 1.20 0.00 0.00 173.24 175.05 1h7d s ILE 35 N 2.42 -0.67 0.00 6.45 -0.00 -1.26 -4.77 121.20 123.38 1h7d s ILE 35 Ca 0.11 -0.42 0.00 0.00 -0.00 0.00 0.00 60.65 60.35 1h7d s ILE 35 Cb -0.11 -0.61 0.00 0.00 -0.00 0.00 0.00 42.46 41.74 1h7d s ILE 35 CO -0.23 -0.28 0.00 0.61 -0.00 0.00 0.00 174.94 175.04 1h7d n GLY 36 N 4.74 2.09 2.14 6.27 0.00 -1.26 -5.00 105.19 114.17 1h7d n GLY 36 Ca 0.07 -0.71 -0.03 0.00 0.00 0.00 0.00 46.02 45.35 1h7d n GLY 36 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1h7d n ARG 37 N 0.00 -2.70 -2.63 1.61 3.00 -1.26 -4.84 116.66 109.84 1h7d n ARG 37 Ca 0.00 2.24 -0.03 0.00 -0.00 0.00 0.00 57.85 60.06 1h7d n ARG 37 Cb 0.00 -3.42 -0.03 0.00 0.00 0.00 0.00 32.46 29.02 1h7d n ARG 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1h7d s PRO 39 N -1.12 3.56 -0.33 0.00 0.04 -1.26 -4.93 135.00 130.96 1h7d s PRO 39 Ca -0.15 1.25 -0.03 0.00 0.04 0.00 0.00 61.00 62.11 1h7d s PRO 39 Cb 0.01 -2.07 0.09 0.00 0.04 0.00 0.00 34.50 32.58 1h7d s PRO 39 CO 0.78 -0.62 2.49 -0.89 0.04 0.00 0.00 177.00 178.80 1h7d n ILE 40 N -1.57 2.99 -2.48 0.56 -0.00 -1.26 -4.66 119.36 112.95 1h7d n ILE 40 Ca 0.09 -2.15 -0.07 0.00 -0.00 0.00 0.00 62.75 60.61 1h7d n ILE 40 Cb 0.53 -1.52 0.04 0.00 -0.00 0.00 0.00 39.64 38.69 1h7d n ILE 40 CO 0.00 0.00 0.00 -0.11 -0.00 0.00 0.00 176.55 176.44 1h7d n LEU 41 N 0.82 -3.14 -2.64 1.39 -0.00 -1.26 -4.45 117.00 107.73 1h7d n LEU 41 Ca 0.38 -0.28 -0.01 0.00 -0.00 0.00 0.00 56.01 56.10 1h7d n LEU 41 Cb 0.60 -1.64 0.00 0.00 -0.00 0.00 0.00 43.42 42.38 1h7d n LEU 41 CO 0.32 0.12 -0.37 0.00 -0.00 0.00 0.00 177.39 177.45 1h7d n ALA 42 N -2.30 -3.38 -0.09 1.96 0.00 -1.26 -4.81 120.51 110.62 1h7d n ALA 42 Ca -0.09 0.57 0.24 0.00 0.00 0.00 0.00 53.44 54.16 1h7d n ALA 42 Cb 0.56 -1.36 0.70 0.00 0.00 0.00 0.00 19.45 19.35 1h7d n ALA 42 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 1h7d h THR 43 N 2.65 0.65 0.00 0.00 1.35 -1.95 -3.35 112.91 112.27 1h7d h THR 43 Ca 0.00 -0.01 -0.00 0.00 -0.55 0.00 0.00 66.41 65.85 1h7d h THR 43 Cb 0.16 0.64 -0.00 0.00 -1.73 0.00 0.00 68.15 67.21 1h7d h THR 43 CO 0.11 0.00 -0.01 0.00 -0.25 0.00 0.00 175.52 175.38 1h7d n GLN 44 N -4.33 0.02 -3.12 4.72 1.13 -1.26 -5.06 117.38 109.48 1h7d n GLN 44 Ca 0.14 -0.02 -0.24 0.00 -1.94 0.00 0.00 57.00 54.94 1h7d n GLN 44 Cb 0.76 0.18 0.02 0.00 0.11 0.00 0.00 30.24 31.31 1h7d n GLN 44 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1h7d n GLY 45 N -0.02 0.12 0.18 1.08 0.00 -1.26 -4.87 105.19 100.42 1h7d n GLY 45 Ca -0.00 0.69 -0.14 0.00 0.00 0.00 0.00 46.02 46.57 1h7d n GLY 45 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1h7d h PRO 46 N 2.33 0.50 -6.24 1.61 0.13 -1.97 -3.45 132.00 124.92 1h7d h PRO 46 Ca -0.34 -0.49 -0.56 0.00 -0.87 0.00 0.00 66.00 63.74 1h7d h PRO 46 Cb 1.13 0.13 -0.08 0.00 0.13 0.00 0.00 31.00 32.31 1h7d h PRO 46 CO 0.14 1.13 -0.60 -0.08 -0.23 0.00 0.00 178.00 178.35 1h7d s THR 47 N -3.42 4.00 -0.29 1.56 -1.32 -1.26 -5.10 115.64 109.81 1h7d s THR 47 Ca -0.07 -1.47 0.00 0.00 -1.21 0.00 0.00 61.69 58.94 1h7d s THR 47 Cb 0.09 -3.09 0.06 0.00 -1.51 0.00 0.00 72.50 68.04 1h7d s THR 47 CO 0.87 -0.24 -0.04 0.00 -2.21 0.00 0.00 174.62 173.00