#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 -0.44 -3.19 2.03 3.14 -1.26 -2.60 118.33 116.02 1h7d n VAL 2 Ca 0.00 0.00 -0.09 0.00 -2.96 0.00 0.00 64.34 61.29 1h7d n VAL 2 Cb 0.00 -1.05 0.01 0.00 -1.06 0.00 0.00 33.84 31.74 1h7d n VAL 2 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1h7d n ALA 3 N -2.81 -2.29 -2.92 1.55 0.00 -1.26 -4.89 120.51 107.88 1h7d n ALA 3 Ca -0.04 0.18 -0.31 0.00 0.00 0.00 0.00 53.44 53.28 1h7d n ALA 3 Cb 0.54 -1.07 -0.03 0.00 0.00 0.00 0.00 19.45 18.89 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 0.84 4.95 -2.66 0.00 0.00 -1.07 -4.69 120.51 117.87 1h7d n ALA 4 Ca -0.01 -4.70 -0.03 0.00 0.00 0.00 0.00 53.44 48.70 1h7d n ALA 4 Cb 0.48 -1.12 0.11 0.00 0.00 0.00 0.00 19.45 18.92 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 -0.05 -3.37 -2.65 0.00 0.00 -1.26 -4.97 120.51 108.21 1h7d n ALA 5 Ca 0.34 -0.32 -0.03 0.00 0.00 0.00 0.00 53.44 53.43 1h7d n ALA 5 Cb 0.36 -3.26 0.04 0.00 0.00 0.00 0.00 19.45 16.60 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 0.73 0.01 -0.05 0.00 2.00 -1.26 -5.07 117.12 113.48 1h7d n MET 6 Ca -0.05 -0.53 -0.03 0.00 0.00 0.00 0.00 57.70 57.09 1h7d n MET 6 Cb 0.75 0.41 -0.01 0.00 0.00 0.00 0.00 33.22 34.37 1h7d n MET 6 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 175.97 175.86 1h7d n LEU 7 N 2.39 1.25 -2.85 4.03 7.94 -1.26 -4.88 117.00 123.62 1h7d n LEU 7 Ca 0.09 0.51 -0.12 0.00 -1.11 0.00 0.00 56.01 55.38 1h7d n LEU 7 Cb 0.67 -0.75 0.04 0.00 0.53 0.00 0.00 43.42 43.91 1h7d n LEU 7 CO -0.13 -0.48 0.13 0.18 -1.11 0.00 0.00 177.39 175.97 1h7d n LEU 8 N -3.88 -1.88 -2.72 -1.96 4.32 -1.26 -4.99 117.00 104.63 1h7d n LEU 8 Ca -0.05 -3.83 -0.08 0.00 -0.02 0.00 0.00 56.01 52.03 1h7d n LEU 8 Cb 0.19 0.83 0.09 0.00 -1.62 0.00 0.00 43.42 42.91 1h7d n LEU 8 CO 0.08 2.07 0.38 -2.11 -1.22 0.00 0.00 177.39 176.58 1h7d n ARG 9 N 1.04 0.86 0.00 3.23 1.85 -1.26 -4.98 116.66 117.40 1h7d n ARG 9 Ca 0.11 -1.72 0.00 0.00 -1.00 0.00 0.00 57.85 55.25 1h7d n ARG 9 Cb 0.64 -0.97 0.00 0.00 -1.05 0.00 0.00 32.46 31.09 1h7d n ARG 9 CO 0.00 0.00 0.00 0.45 -0.01 0.00 0.00 177.63 178.07 1h7d n SER 10 N 0.59 0.52 -1.48 2.89 2.88 -1.26 -5.01 113.62 112.75 1h7d n SER 10 Ca 0.05 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.59 1h7d n SER 10 Cb 0.70 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.16 1h7d n SER 10 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1h7d n PRO 12 N -2.13 -0.68 0.08 0.00 -0.04 -1.26 -5.05 135.00 125.91 1h7d n PRO 12 Ca 0.00 -0.21 0.00 0.00 -0.04 0.00 0.00 63.50 63.25 1h7d n PRO 12 Cb 0.34 -0.16 0.00 0.00 -0.04 0.00 0.00 33.50 33.64 1h7d n PRO 12 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1h7d n VAL 13 N -2.48 0.00 -0.06 0.52 0.31 -1.26 -4.92 118.33 110.44 1h7d n VAL 13 Ca 0.02 0.00 -0.12 0.00 -0.01 0.00 0.00 64.34 64.23 1h7d n VAL 13 Cb 0.06 -0.31 -0.06 0.00 -0.91 0.00 0.00 33.84 32.63 1h7d n VAL 13 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 1h7d h LEU 14 N 0.00 0.36 0.00 7.52 4.07 -1.97 -3.46 115.31 121.84 1h7d h LEU 14 Ca 0.00 -0.37 0.00 0.00 0.08 0.00 0.00 57.88 57.59 1h7d h LEU 14 Cb 0.00 -0.10 0.00 0.00 1.08 0.00 0.00 40.66 41.64 1h7d h LEU 14 CO 0.00 0.65 0.00 -0.24 -1.08 0.00 0.00 178.44 177.77 1h7d n SER 15 N -4.64 0.00 0.00 -0.43 2.88 -1.26 -4.54 113.62 105.63 1h7d n SER 15 Ca -0.05 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.49 1h7d n SER 15 Cb 0.27 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.73 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 0.00 0.01 -1.46 1.13 -1.26 -5.08 117.38 110.72 1h7d n GLN 16 Ca 0.00 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.06 1h7d n GLN 16 Cb 0.00 -0.02 0.00 0.00 0.11 0.00 0.00 30.24 30.33 1h7d n GLN 16 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1h7d n GLY 17 N 3.29 -1.61 3.78 1.08 0.00 -1.26 -5.15 105.19 105.32 1h7d n GLY 17 Ca 0.00 0.63 -0.29 0.00 0.00 0.00 0.00 46.02 46.36 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 -1.78 0.98 0.00 1.61 0.04 -1.26 -5.02 135.00 129.57 1h7d s PRO 18 Ca 0.00 0.23 0.00 0.00 0.04 0.00 0.00 61.00 61.27 1h7d s PRO 18 Cb 0.00 -1.83 0.00 0.00 0.04 0.00 0.00 34.50 32.71 1h7d s PRO 18 CO 0.00 -2.30 0.00 0.25 0.04 0.00 0.00 177.00 174.99 1h7d n THR 19 N -3.82 0.00 -0.48 1.26 -2.24 -1.26 -4.82 114.28 102.92 1h7d n THR 19 Ca 0.07 0.00 0.40 0.00 -2.27 0.00 0.00 64.05 62.25 1h7d n THR 19 Cb 0.59 -0.50 0.66 0.00 -2.10 0.00 0.00 70.33 68.99 1h7d n THR 19 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1h7d n GLY 20 N 1.74 -0.82 2.46 3.38 0.00 -1.26 0.11 105.19 110.79 1h7d n GLY 20 Ca 0.00 0.73 -0.26 0.00 0.00 0.00 0.00 46.02 46.48 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 -4.57 6.43 0.03 0.99 4.32 -1.26 -3.01 117.00 119.94 1h7d n LEU 21 Ca 0.39 -4.02 0.00 0.00 -0.02 0.00 0.00 56.01 52.36 1h7d n LEU 21 Cb 1.55 -1.24 0.00 0.00 -1.62 0.00 0.00 43.42 42.11 1h7d n LEU 21 CO 0.20 1.72 0.00 -0.11 -1.22 0.00 0.00 177.39 177.98 1h7d n LEU 22 N 0.92 -0.46 0.08 2.23 7.94 0.30 -4.84 117.00 123.17 1h7d n LEU 22 Ca 0.48 0.13 -0.05 0.00 -1.11 0.00 0.00 56.01 55.46 1h7d n LEU 22 Cb 0.56 0.70 -0.05 0.00 0.53 0.00 0.00 43.42 45.16 1h7d n LEU 22 CO 0.32 -0.43 0.24 1.23 -1.11 0.00 0.00 177.39 177.64 1h7d h GLY 23 N 0.00 0.00 1.58 -3.96 0.00 -1.65 -2.06 103.07 96.98 1h7d h GLY 23 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 47.33 47.16 1h7d h GLY 23 CO 0.00 0.00 -0.64 1.70 0.00 0.00 0.00 176.54 177.60 1h7d h LYS 24 N 0.00 0.43 0.00 4.80 3.64 -1.80 -1.95 116.57 121.69 1h7d h LYS 24 Ca -0.01 -0.31 0.00 0.00 -1.27 0.00 0.00 60.65 59.06 1h7d h LYS 24 Cb 1.61 0.05 0.00 0.00 -0.41 0.00 0.00 32.23 33.48 1h7d h LYS 24 CO 0.11 0.93 -0.05 0.28 -2.27 0.00 0.00 179.45 178.45 1h7d h VAL 25 N 0.31 0.00 0.29 2.00 2.07 -1.79 -2.82 116.25 116.31 1h7d h VAL 25 Ca -0.01 -0.89 -0.01 0.00 0.82 0.00 0.00 66.70 66.60 1h7d h VAL 25 Cb 1.19 1.87 0.00 0.00 -1.52 0.00 0.00 31.29 32.83 1h7d h VAL 25 CO 0.11 0.00 -0.14 0.00 0.02 0.00 0.00 177.57 177.56 1h7d h ALA 26 N 2.11 -0.39 0.17 1.67 0.00 -1.04 -2.67 119.26 119.10 1h7d h ALA 26 Ca 0.00 -0.08 0.02 0.00 0.00 0.00 0.00 54.91 54.84 1h7d h ALA 26 Cb 0.95 0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.84 1h7d h ALA 26 CO 0.00 -0.36 -0.41 -0.22 0.00 0.00 0.00 179.25 178.26 1h7d h LYS 27 N -1.09 -0.65 -0.80 0.00 3.64 -1.47 0.85 116.57 117.05 1h7d h LYS 27 Ca -0.04 0.04 0.09 0.00 -1.27 0.00 0.00 60.65 59.47 1h7d h LYS 27 Cb 0.30 0.15 -0.11 0.00 -0.41 0.00 0.00 32.23 32.15 1h7d h LYS 27 CO 0.07 -0.43 -0.54 1.15 -2.27 0.00 0.00 179.45 177.42 1h7d h THR 28 N -0.67 0.01 -0.61 1.00 2.02 -1.64 1.06 112.91 114.08 1h7d h THR 28 Ca 0.01 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.16 1h7d h THR 28 Cb 0.68 0.01 -0.03 0.00 -1.74 0.00 0.00 68.15 67.07 1h7d h THR 28 CO -0.21 0.00 0.26 1.88 0.37 0.00 0.00 175.52 177.82 1h7d h TYR 29 N -0.13 0.89 0.00 3.16 -1.99 -1.08 0.20 116.97 118.02 1h7d h TYR 29 Ca 0.16 -0.04 0.00 0.00 2.00 0.00 0.00 58.73 60.85 1h7d h TYR 29 Cb 0.50 -0.27 0.00 0.00 2.00 0.00 0.00 36.73 38.95 1h7d h TYR 29 CO -0.90 0.67 0.00 0.94 -0.00 0.00 0.00 178.16 178.88 1h7d n GLN 30 N -4.33 0.41 -0.06 4.88 7.27 0.29 -2.30 117.38 123.55 1h7d n GLN 30 Ca 0.05 0.06 -0.05 0.00 0.07 0.00 0.00 57.00 57.13 1h7d n GLN 30 Cb 0.16 -1.50 -0.09 0.00 2.41 0.00 0.00 30.24 31.22 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 -1.21 0.00 -0.97 3.69 7.35 0.32 -4.45 117.46 122.20 1h7d n PHE 31 Ca 0.12 0.00 -0.07 0.00 -0.76 0.00 0.00 57.45 56.74 1h7d n PHE 31 Cb 0.15 -0.56 0.29 0.00 0.35 0.00 0.00 39.48 39.70 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 -2.42 6.04 -0.06 -2.13 4.77 0.50 -3.99 117.00 119.71 1h7d n LEU 32 Ca -0.18 -3.14 0.05 0.00 -0.03 0.00 0.00 56.01 52.71 1h7d n LEU 32 Cb 0.86 -0.75 0.07 0.00 -2.33 0.00 0.00 43.42 41.28 1h7d n LEU 32 CO 0.25 0.80 0.51 0.49 -1.33 0.00 0.00 177.39 178.11 1h7d n PHE 33 N -0.16 0.00 -2.72 -1.77 3.01 -0.97 -4.79 117.46 110.07 1h7d n PHE 33 Ca 0.41 -0.72 -0.07 0.00 1.01 0.00 0.00 57.45 58.08 1h7d n PHE 33 Cb 1.38 -0.10 0.08 0.00 -0.01 0.00 0.00 39.48 40.83 1h7d n PHE 33 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 1h7d n SER 34 N -0.95 -2.17 -0.07 4.37 7.64 -1.26 -4.97 113.62 116.21 1h7d n SER 34 Ca 0.08 -3.02 -0.08 0.00 1.01 0.00 0.00 58.87 56.87 1h7d n SER 34 Cb 0.49 1.61 -0.11 0.00 -1.01 0.00 0.00 64.21 65.20 1h7d n SER 34 CO 0.00 0.00 0.00 2.30 -3.01 0.00 0.00 175.04 174.33 1h7d n ILE 35 N 0.88 0.98 -3.43 0.44 -5.35 -1.26 -5.05 119.36 106.56 1h7d n ILE 35 Ca 0.04 -0.58 -0.13 0.00 -0.27 0.00 0.00 62.75 61.82 1h7d n ILE 35 Cb 0.69 -0.68 0.00 0.00 -1.74 0.00 0.00 39.64 37.91 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 2.19 -1.28 2.79 3.28 0.00 -1.26 -4.11 105.19 106.79 1h7d n GLY 36 Ca -0.24 0.54 -0.03 0.00 0.00 0.00 0.00 46.02 46.29 1h7d n GLY 36 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1h7d n ARG 37 N -2.22 -3.08 -1.46 1.61 5.12 -1.26 -4.58 116.66 110.78 1h7d n ARG 37 Ca -0.16 2.53 -0.44 0.00 -1.93 0.00 0.00 57.85 57.85 1h7d n ARG 37 Cb 0.60 -5.23 -0.13 0.00 -1.16 0.00 0.00 32.46 26.54 1h7d n ARG 37 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1h7d s PRO 39 N 8.43 3.17 0.18 0.00 0.04 -1.26 -4.72 135.00 140.83 1h7d s PRO 39 Ca 1.30 -1.12 -0.00 0.00 0.04 0.00 0.00 61.00 61.22 1h7d s PRO 39 Cb -1.21 -5.30 0.08 0.00 0.04 0.00 0.00 34.50 28.11 1h7d s PRO 39 CO 0.50 -2.93 1.44 -0.84 0.04 0.00 0.00 177.00 175.22 1h7d h ILE 40 N 6.49 1.40 -0.37 0.56 3.07 -2.00 -3.17 117.51 123.49 1h7d h ILE 40 Ca 0.24 -2.18 0.07 0.00 1.55 0.00 0.00 64.86 64.54 1h7d h ILE 40 Cb 0.96 2.15 -0.07 0.00 -0.27 0.00 0.00 36.82 39.59 1h7d h ILE 40 CO 1.33 0.65 -0.05 0.17 -1.05 0.00 0.00 178.15 179.20 1h7d h LEU 41 N 0.24 -0.27 -2.44 0.16 -0.00 -1.98 -3.47 115.31 107.55 1h7d h LEU 41 Ca -0.03 0.10 0.00 0.00 -0.00 0.00 0.00 57.88 57.95 1h7d h LEU 41 Cb 1.30 0.20 0.00 0.00 -0.00 0.00 0.00 40.66 42.16 1h7d h LEU 41 CO 0.12 -0.09 -0.21 0.00 -0.00 0.00 0.00 178.44 178.26 1h7d n ALA 42 N -2.60 -2.68 -2.69 0.17 0.00 -1.20 -5.01 120.51 106.49 1h7d n ALA 42 Ca 0.02 0.51 -0.06 0.00 0.00 0.00 0.00 53.44 53.91 1h7d n ALA 42 Cb 0.20 -2.24 0.10 0.00 0.00 0.00 0.00 19.45 17.52 1h7d n ALA 42 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 1h7d n THR 43 N -0.96 0.00 0.01 0.00 5.66 -1.26 -5.01 114.28 112.72 1h7d n THR 43 Ca 0.05 -1.35 0.00 0.00 -3.05 0.00 0.00 64.05 59.70 1h7d n THR 43 Cb 0.44 0.94 0.00 0.00 -1.55 0.00 0.00 70.33 70.16 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 -0.63 0.00 -1.31 1.09 -0.06 -1.26 -5.07 117.38 110.13 1h7d n GLN 44 Ca -0.07 0.00 -0.33 0.00 -2.00 0.00 0.00 57.00 54.60 1h7d n GLN 44 Cb 0.82 0.00 -0.14 0.00 -4.06 0.00 0.00 30.24 26.86 1h7d n GLN 44 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1h7d n GLY 45 N -1.50 -0.43 3.55 1.69 0.00 -1.26 -4.75 105.19 102.50 1h7d n GLY 45 Ca 0.00 0.84 -0.38 0.00 0.00 0.00 0.00 46.02 46.49 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 7.59 2.97 0.04 1.61 0.04 -1.26 -4.94 135.00 141.05 1h7d s PRO 46 Ca 1.19 -0.11 0.02 0.00 0.04 0.00 0.00 61.00 62.14 1h7d s PRO 46 Cb -1.04 -4.58 -0.02 0.00 0.04 0.00 0.00 34.50 28.89 1h7d s PRO 46 CO 0.44 -2.55 -0.07 -0.08 0.04 0.00 0.00 177.00 174.78 1h7d s THR 47 N 7.42 0.48 0.11 1.26 -1.32 -1.26 -5.03 115.64 117.29 1h7d s THR 47 Ca 0.53 -1.06 0.00 0.00 -1.21 0.00 0.00 61.69 59.95 1h7d s THR 47 Cb -0.08 -0.56 0.00 0.00 -1.51 0.00 0.00 72.50 70.35 1h7d s THR 47 CO 0.10 -0.40 0.00 0.00 -2.21 0.00 0.00 174.62 172.11