#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1h7d s VAL 2 N 0.00 4.43 0.01 1.12 1.01 -1.26 -4.97 120.40 120.74 1h7d s VAL 2 Ca 0.00 -0.54 0.00 0.00 0.00 0.00 0.00 61.98 61.44 1h7d s VAL 2 Cb 0.00 -3.01 0.00 0.00 0.00 0.00 0.00 36.38 33.37 1h7d s VAL 2 CO 0.00 0.34 0.00 0.00 0.00 0.00 0.00 175.10 175.44 1h7d n ALA 3 N 1.21 -1.99 -0.05 5.51 0.00 -1.26 -4.98 120.51 118.96 1h7d n ALA 3 Ca -0.13 0.01 -0.02 0.00 0.00 0.00 0.00 53.44 53.29 1h7d n ALA 3 Cb 0.53 -0.51 -0.01 0.00 0.00 0.00 0.00 19.45 19.45 1h7d n ALA 3 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1h7d h ALA 4 N 0.03 0.00 -3.59 0.00 0.00 -2.04 -3.51 119.26 110.15 1h7d h ALA 4 Ca 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.61 1h7d h ALA 4 Cb 0.00 0.27 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 1h7d h ALA 4 CO 0.00 0.27 -0.44 0.00 0.00 0.00 0.00 179.25 179.09 1h7d n ALA 5 N -3.13 -3.20 -2.84 0.00 0.00 -1.26 -4.82 120.51 105.26 1h7d n ALA 5 Ca -0.04 0.61 -0.06 0.00 0.00 0.00 0.00 53.44 53.95 1h7d n ALA 5 Cb 0.14 -1.20 0.01 0.00 0.00 0.00 0.00 19.45 18.40 1h7d n ALA 5 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1h7d n MET 6 N 0.44 -2.12 0.10 0.00 0.00 -1.26 -4.94 117.12 109.34 1h7d n MET 6 Ca -0.10 1.97 -0.13 0.00 0.00 0.00 0.00 57.70 59.43 1h7d n MET 6 Cb 0.16 -5.57 -0.08 0.00 0.00 0.00 0.00 33.22 27.73 1h7d n MET 6 CO 0.00 0.00 0.00 1.37 0.00 0.00 0.00 175.97 177.34 1h7d h LEU 7 N 1.66 -0.18 -5.60 4.03 -0.00 -2.03 -3.43 115.31 109.76 1h7d h LEU 7 Ca 0.00 -0.13 0.04 0.00 -0.00 0.00 0.00 57.88 57.79 1h7d h LEU 7 Cb 0.97 0.05 -0.18 0.00 -0.00 0.00 0.00 40.66 41.50 1h7d h LEU 7 CO 0.21 0.02 -0.28 -0.22 -0.00 0.00 0.00 178.44 178.18 1h7d s LEU 8 N -9.85 -0.92 0.00 0.17 0.20 -1.26 -5.07 118.68 101.95 1h7d s LEU 8 Ca -0.14 -0.46 0.00 0.00 0.69 0.00 0.00 54.13 54.21 1h7d s LEU 8 Cb 0.04 1.18 0.00 0.00 -0.43 0.00 0.00 46.19 46.98 1h7d s LEU 8 CO 0.64 -0.10 0.00 0.54 -0.29 0.00 0.00 176.35 177.13 1h7d n ARG 9 N 4.06 0.00 -0.33 1.98 1.74 -1.26 -5.01 116.66 117.84 1h7d n ARG 9 Ca 0.08 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.16 1h7d n ARG 9 Cb 0.60 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 32.04 1h7d n ARG 9 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1h7d n SER 10 N -1.18 0.00 -4.92 0.55 2.88 -1.26 -5.01 113.62 104.68 1h7d n SER 10 Ca 0.00 0.00 -0.30 0.00 -1.33 0.00 0.00 58.87 57.24 1h7d n SER 10 Cb 0.00 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.42 1h7d n SER 10 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1h7d s PRO 12 N -2.69 1.80 0.12 0.00 0.04 -1.26 -4.98 135.00 128.03 1h7d s PRO 12 Ca 0.36 0.53 0.01 0.00 0.04 0.00 0.00 61.00 61.94 1h7d s PRO 12 Cb -0.12 -1.89 -0.17 0.00 0.04 0.00 0.00 34.50 32.35 1h7d s PRO 12 CO 0.28 -1.80 1.26 -0.24 0.04 0.00 0.00 177.00 176.54 1h7d h VAL 13 N -1.21 1.57 -0.89 -0.36 3.04 -2.05 -3.18 116.25 113.16 1h7d h VAL 13 Ca -0.48 -3.03 -0.57 0.00 -1.01 0.00 0.00 66.70 61.61 1h7d h VAL 13 Cb 1.29 2.76 -0.26 0.00 -2.01 0.00 0.00 31.29 33.07 1h7d h VAL 13 CO 0.60 0.88 0.73 0.00 -1.01 0.00 0.00 177.57 178.77 1h7d n LEU 14 N -3.52 7.15 -2.96 3.16 -0.00 -1.26 -4.77 117.00 114.81 1h7d n LEU 14 Ca -0.04 -3.89 -0.24 0.00 -0.00 0.00 0.00 56.01 51.84 1h7d n LEU 14 Cb 0.93 -0.94 -0.05 0.00 -0.00 0.00 0.00 43.42 43.35 1h7d n LEU 14 CO 0.50 1.30 2.44 -0.24 -0.00 0.00 0.00 177.39 181.39 1h7d n SER 15 N -0.73 5.89 -3.43 1.45 2.88 -1.21 -4.60 113.62 113.87 1h7d n SER 15 Ca 0.55 -2.38 -0.26 0.00 -1.33 0.00 0.00 58.87 55.45 1h7d n SER 15 Cb 0.88 -1.23 0.02 0.00 -0.75 0.00 0.00 64.21 63.13 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 3.62 -1.85 0.00 -1.46 3.00 -1.26 -4.98 117.38 114.45 1h7d n GLN 16 Ca 0.52 1.38 0.00 0.00 -0.01 0.00 0.00 57.00 58.89 1h7d n GLN 16 Cb 0.30 -3.11 0.00 0.00 0.00 0.00 0.00 30.24 27.43 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 -0.75 0.13 3.65 1.08 0.00 -1.26 -5.01 105.19 103.03 1h7d n GLY 17 Ca -0.11 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.49 1h7d n GLY 17 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1h7d s PRO 18 N -0.12 4.14 -0.00 1.61 0.04 -1.26 -4.89 135.00 134.52 1h7d s PRO 18 Ca 0.00 1.58 0.13 0.00 0.04 0.00 0.00 61.00 62.74 1h7d s PRO 18 Cb 0.00 -3.81 -0.21 0.00 0.04 0.00 0.00 34.50 30.53 1h7d s PRO 18 CO 0.00 -0.83 0.78 0.00 0.04 0.00 0.00 177.00 176.99 1h7d h THR 19 N 5.63 0.89 -2.34 1.26 1.03 -2.04 -3.50 112.91 113.85 1h7d h THR 19 Ca -0.27 -2.66 0.00 0.00 -0.01 0.00 0.00 66.41 63.47 1h7d h THR 19 Cb 1.10 2.41 0.00 0.00 -1.07 0.00 0.00 68.15 70.59 1h7d h THR 19 CO 0.99 0.51 0.00 0.61 -0.01 0.00 0.00 175.52 177.61 1h7d n GLY 20 N 1.50 -0.25 2.63 2.99 0.00 -1.26 -4.96 105.19 105.84 1h7d n GLY 20 Ca -0.13 -0.27 -0.35 0.00 0.00 0.00 0.00 46.02 45.27 1h7d n GLY 20 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1h7d n LEU 21 N -0.55 7.17 0.12 0.99 4.77 -1.26 -3.98 117.00 124.26 1h7d n LEU 21 Ca 0.00 -4.61 0.00 0.00 -0.03 0.00 0.00 56.01 51.37 1h7d n LEU 21 Cb 0.16 -1.20 0.00 0.00 -2.33 0.00 0.00 43.42 40.05 1h7d n LEU 21 CO 0.00 1.84 0.00 -0.11 -1.33 0.00 0.00 177.39 177.79 1h7d n LEU 22 N 0.50 -2.15 -0.27 2.23 7.94 -1.26 -4.90 117.00 119.09 1h7d n LEU 22 Ca 0.52 0.55 0.31 0.00 -1.11 0.00 0.00 56.01 56.28 1h7d n LEU 22 Cb 0.37 2.20 0.70 0.00 0.53 0.00 0.00 43.42 47.21 1h7d n LEU 22 CO 0.47 0.04 1.28 1.23 -1.11 0.00 0.00 177.39 179.30 1h7d h GLY 23 N 0.00 0.20 1.14 -3.96 0.00 -1.97 1.05 103.07 99.53 1h7d h GLY 23 Ca 0.00 -0.03 -0.18 0.00 0.00 0.00 0.00 47.33 47.11 1h7d h GLY 23 CO 0.00 -0.02 -0.54 1.70 0.00 0.00 0.00 176.54 177.68 1h7d h LYS 24 N 0.07 0.88 0.00 4.80 3.64 -1.92 -0.26 116.57 123.78 1h7d h LYS 24 Ca 0.52 -0.55 -0.04 0.00 -1.27 0.00 0.00 60.65 59.30 1h7d h LYS 24 Cb 1.93 0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 33.80 1h7d h LYS 24 CO -0.05 1.19 -0.20 0.28 -2.27 0.00 0.00 179.45 178.40 1h7d h VAL 25 N 0.66 0.36 0.22 2.00 2.07 0.11 -2.85 116.25 118.83 1h7d h VAL 25 Ca 0.02 -1.39 -0.01 0.00 0.82 0.00 0.00 66.70 66.14 1h7d h VAL 25 Cb 1.15 2.07 0.00 0.00 -1.52 0.00 0.00 31.29 32.99 1h7d h VAL 25 CO 0.12 0.19 -0.11 0.00 0.02 0.00 0.00 177.57 177.80 1h7d h ALA 26 N 1.80 -0.37 -0.37 1.67 0.00 0.98 -2.75 119.26 120.22 1h7d h ALA 26 Ca -0.00 -0.07 0.06 0.00 0.00 0.00 0.00 54.91 54.90 1h7d h ALA 26 Cb 1.06 0.12 -0.09 0.00 0.00 0.00 0.00 17.79 18.88 1h7d h ALA 26 CO 0.03 -0.35 -0.46 0.87 0.00 0.00 0.00 179.25 179.33 1h7d h LYS 27 N -0.84 -0.36 -0.72 0.00 1.57 -1.15 0.54 116.57 115.62 1h7d h LYS 27 Ca -0.03 0.02 0.08 0.00 -1.87 0.00 0.00 60.65 58.85 1h7d h LYS 27 Cb 0.23 0.08 -0.11 0.00 0.08 0.00 0.00 32.23 32.51 1h7d h LYS 27 CO 0.05 -0.24 -0.54 1.15 -0.57 0.00 0.00 179.45 179.30 1h7d h THR 28 N -0.37 0.01 -0.01 -0.16 2.02 -1.63 0.99 112.91 113.76 1h7d h THR 28 Ca 0.11 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.30 1h7d h THR 28 Cb 0.60 0.01 -0.00 0.00 -1.74 0.00 0.00 68.15 67.02 1h7d h THR 28 CO -0.56 0.00 0.01 0.22 0.37 0.00 0.00 175.52 175.56 1h7d h TYR 29 N -0.18 0.00 -0.34 3.16 3.20 -0.93 0.18 116.97 122.07 1h7d h TYR 29 Ca 0.15 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.02 1h7d h TYR 29 Cb 0.51 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.78 1h7d h TYR 29 CO -0.86 0.00 0.00 0.94 -1.64 0.00 0.00 178.16 176.60 1h7d n GLN 30 N -4.47 3.06 0.00 1.82 7.27 0.31 -3.64 117.38 121.72 1h7d n GLN 30 Ca -0.03 -1.74 0.00 0.00 0.07 0.00 0.00 57.00 55.30 1h7d n GLN 30 Cb 0.10 -1.86 0.00 0.00 2.41 0.00 0.00 30.24 30.88 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 0.40 0.00 -0.26 3.69 -0.00 0.71 -4.69 117.46 117.32 1h7d n PHE 31 Ca 0.15 0.00 -0.01 0.00 -0.00 0.00 0.00 57.45 57.59 1h7d n PHE 31 Cb 0.73 0.00 0.22 0.00 -0.00 0.00 0.00 39.48 40.43 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 -2.32 4.40 -0.03 -2.13 4.32 -0.61 -4.16 117.00 116.47 1h7d n LEU 32 Ca 0.00 -2.26 -0.07 0.00 -0.02 0.00 0.00 56.01 53.66 1h7d n LEU 32 Cb 0.41 -0.65 -0.02 0.00 -1.62 0.00 0.00 43.42 41.54 1h7d n LEU 32 CO 0.00 0.59 -0.47 0.33 -1.22 0.00 0.00 177.39 176.62 1h7d n PHE 33 N 0.12 0.00 -2.60 -1.77 7.35 -1.24 -4.76 117.46 114.57 1h7d n PHE 33 Ca 0.23 0.00 -0.41 0.00 -0.76 0.00 0.00 57.45 56.51 1h7d n PHE 33 Cb 0.96 -0.29 0.02 0.00 0.35 0.00 0.00 39.48 40.52 1h7d n PHE 33 CO 0.00 0.00 0.00 0.45 -0.76 0.00 0.00 176.76 176.45 1h7d n SER 34 N -3.86 7.40 0.33 -2.13 2.88 -1.26 -4.70 113.62 112.28 1h7d n SER 34 Ca -0.11 -3.65 0.22 0.00 -1.33 0.00 0.00 58.87 54.00 1h7d n SER 34 Cb 0.35 -1.19 1.12 0.00 -0.75 0.00 0.00 64.21 63.74 1h7d n SER 34 CO 0.00 0.00 0.00 0.40 -1.23 0.00 0.00 175.04 174.21 1h7d h ILE 35 N 2.26 0.04 0.00 2.46 5.03 -1.86 -3.41 117.51 122.02 1h7d h ILE 35 Ca 0.55 -0.09 0.00 0.00 -0.12 0.00 0.00 64.86 65.19 1h7d h ILE 35 Cb 0.32 1.09 0.00 0.00 -3.03 0.00 0.00 36.82 35.20 1h7d h ILE 35 CO 1.20 0.00 0.00 0.61 -0.68 0.00 0.00 178.15 179.29 1h7d n GLY 36 N -0.90 1.04 0.03 5.37 0.00 -1.26 -5.06 105.19 104.41 1h7d n GLY 36 Ca -0.02 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.96 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 2.77 0.00 1.61 0.63 -1.26 -5.03 116.66 115.37 1h7d n ARG 37 Ca 0.00 -0.01 0.00 0.00 -0.92 0.00 0.00 57.85 56.92 1h7d n ARG 37 Cb 0.00 -1.18 0.00 0.00 0.45 0.00 0.00 32.46 31.73 1h7d n ARG 37 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1h7d s PRO 39 N 0.00 4.01 0.02 0.00 0.04 -1.26 -4.97 135.00 132.84 1h7d s PRO 39 Ca 0.00 1.45 -0.09 0.00 0.04 0.00 0.00 61.00 62.41 1h7d s PRO 39 Cb 0.00 -2.36 -0.31 0.00 0.04 0.00 0.00 34.50 31.87 1h7d s PRO 39 CO 0.00 -0.26 0.95 0.82 0.04 0.00 0.00 177.00 178.55 1h7d h ILE 40 N 1.93 1.26 0.00 0.56 1.08 -2.01 -3.42 117.51 116.91 1h7d h ILE 40 Ca -0.49 -2.80 -0.20 0.00 -0.39 0.00 0.00 64.86 60.99 1h7d h ILE 40 Cb 1.22 2.90 -0.14 0.00 -3.07 0.00 0.00 36.82 37.73 1h7d h ILE 40 CO 0.61 0.84 -0.27 -0.11 -0.69 0.00 0.00 178.15 178.53 1h7d n LEU 41 N -3.58 -1.92 -2.97 1.44 0.00 -1.26 -5.07 117.00 103.64 1h7d n LEU 41 Ca -0.16 -3.16 0.04 0.00 0.00 0.00 0.00 56.01 52.73 1h7d n LEU 41 Cb 1.06 0.64 0.00 0.00 0.00 0.00 0.00 43.42 45.12 1h7d n LEU 41 CO 0.55 1.85 0.54 0.00 0.00 0.00 0.00 177.39 180.33 1h7d s ALA 42 N 0.19 -4.42 -0.20 1.96 0.00 -1.26 -5.04 121.76 112.99 1h7d s ALA 42 Ca 0.20 1.39 0.08 0.00 0.00 0.00 0.00 51.96 53.63 1h7d s ALA 42 Cb 0.30 -2.95 -0.18 0.00 0.00 0.00 0.00 23.12 20.30 1h7d s ALA 42 CO -0.08 -2.30 -0.07 -2.37 0.00 0.00 0.00 175.76 170.94 1h7d n THR 43 N 4.46 1.24 -2.68 0.00 5.66 -1.26 -4.58 114.28 117.12 1h7d n THR 43 Ca 0.08 -0.61 -0.04 0.00 -3.05 0.00 0.00 64.05 60.43 1h7d n THR 43 Cb 0.61 -0.93 0.05 0.00 -1.55 0.00 0.00 70.33 68.51 1h7d n THR 43 CO 0.00 0.00 0.00 1.67 -3.05 0.00 0.00 175.07 173.69 1h7d n GLN 44 N -2.91 0.19 0.00 1.09 7.27 -1.26 -5.09 117.38 116.66 1h7d n GLN 44 Ca -0.34 -0.88 0.00 0.00 0.07 0.00 0.00 57.00 55.84 1h7d n GLN 44 Cb 0.99 -0.24 0.00 0.00 2.41 0.00 0.00 30.24 33.40 1h7d n GLN 44 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1h7d n GLY 45 N 2.06 5.40 3.80 1.69 0.00 -1.26 -5.15 105.19 111.73 1h7d n GLY 45 Ca 0.07 -1.32 -0.33 0.00 0.00 0.00 0.00 46.02 44.44 1h7d n GLY 45 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1h7d s PRO 46 N 1.91 3.57 0.38 1.61 0.04 -1.26 -4.95 135.00 136.30 1h7d s PRO 46 Ca 0.00 1.25 0.20 0.00 0.04 0.00 0.00 61.00 62.50 1h7d s PRO 46 Cb 0.00 -2.07 0.56 0.00 0.04 0.00 0.00 34.50 33.03 1h7d s PRO 46 CO 0.00 -0.61 1.67 1.79 0.04 0.00 0.00 177.00 179.89 1h7d h THR 47 N 0.95 0.63 -3.16 1.26 1.35 -2.05 -3.49 112.91 108.40 1h7d h THR 47 Ca -0.48 -1.51 0.00 0.00 -0.55 0.00 0.00 66.41 63.87 1h7d h THR 47 Cb 1.22 2.02 0.00 0.00 -1.73 0.00 0.00 68.15 69.66 1h7d h THR 47 CO 0.58 0.30 -0.75 0.00 -0.25 0.00 0.00 175.52 175.41