#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 0.00-12.89 -3.05 2.03 0.31 -1.26 -4.78 118.33 98.68 1h7d n VAL 2 Ca 0.00 3.22 -0.00 0.00 -0.01 0.00 0.00 64.34 67.54 1h7d n VAL 2 Cb 0.00 -5.36 -0.00 0.00 -0.91 0.00 0.00 33.84 27.57 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 1.78 -2.22 -0.35 3.52 0.00 -1.26 -4.78 120.51 117.20 1h7d n ALA 3 Ca 0.00 0.22 -0.11 0.00 0.00 0.00 0.00 53.44 53.55 1h7d n ALA 3 Cb 0.00 -0.82 -0.10 0.00 0.00 0.00 0.00 19.45 18.54 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 3.75 -0.58 -4.50 0.00 0.00 -2.02 -3.47 119.26 112.44 1h7d h ALA 4 Ca -0.03 0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1h7d h ALA 4 Cb 0.67 1.31 -0.02 0.00 0.00 0.00 0.00 17.79 19.75 1h7d h ALA 4 CO 0.02 -0.96 -0.81 0.00 0.00 0.00 0.00 179.25 177.51 1h7d n ALA 5 N -3.20 -3.39 -2.71 0.00 0.00 -1.26 -5.06 120.51 104.88 1h7d n ALA 5 Ca 0.01 0.66 -0.02 0.00 0.00 0.00 0.00 53.44 54.09 1h7d n ALA 5 Cb 0.27 -1.30 0.03 0.00 0.00 0.00 0.00 19.45 18.44 1h7d n ALA 5 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 1h7d s MET 6 N -1.08 0.26 0.00 0.00 1.00 -1.26 -5.04 119.30 113.18 1h7d s MET 6 Ca -0.05 -0.22 0.00 0.00 0.00 0.00 0.00 55.69 55.42 1h7d s MET 6 Cb 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 34.83 34.83 1h7d s MET 6 CO 0.56 -0.33 0.00 -0.11 0.00 0.00 0.00 175.02 175.14 1h7d n LEU 7 N 2.90 -1.87 -0.88 -0.03 7.94 -1.26 -4.90 117.00 118.90 1h7d n LEU 7 Ca 0.10 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.00 1h7d n LEU 7 Cb 0.64 -0.93 0.00 0.00 0.53 0.00 0.00 43.42 43.66 1h7d n LEU 7 CO -0.10 0.00 0.00 -0.11 -1.11 0.00 0.00 177.39 176.07 1h7d n LEU 8 N 0.00 -1.32 -0.97 -1.96 -0.00 -1.26 -5.02 117.00 106.47 1h7d n LEU 8 Ca 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 56.01 55.99 1h7d n LEU 8 Cb 0.00 -0.33 -0.03 0.00 -0.00 0.00 0.00 43.42 43.06 1h7d n LEU 8 CO 0.00 0.00 0.25 0.54 -0.00 0.00 0.00 177.39 178.18 1h7d n ARG 9 N -0.88 0.00 -2.70 1.96 5.12 -1.26 -4.94 116.66 113.95 1h7d n ARG 9 Ca 0.00 -1.05 -0.07 0.00 -1.93 0.00 0.00 57.85 54.80 1h7d n ARG 9 Cb 0.33 0.16 0.09 0.00 -1.16 0.00 0.00 32.46 31.88 1h7d n ARG 9 CO 0.00 0.00 0.00 0.43 -1.93 0.00 0.00 177.63 176.13 1h7d n SER 10 N 0.13 -1.86 -3.74 0.55 7.64 -1.26 -4.93 113.62 110.15 1h7d n SER 10 Ca -0.11 -2.75 -0.13 0.00 1.01 0.00 0.00 58.87 56.89 1h7d n SER 10 Cb 0.77 1.41 -0.08 0.00 -1.01 0.00 0.00 64.21 65.31 1h7d n SER 10 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1h7d n PRO 12 N 1.13 -0.63 0.03 0.00 -0.04 -1.26 -5.05 135.00 129.18 1h7d n PRO 12 Ca -0.21 -0.15 0.00 0.00 -0.04 0.00 0.00 63.50 63.10 1h7d n PRO 12 Cb 0.57 -0.12 0.00 0.00 -0.04 0.00 0.00 33.50 33.91 1h7d n PRO 12 CO 0.00 0.00 0.00 1.55 -0.04 0.00 0.00 175.50 177.01 1h7d n VAL 13 N -2.41 0.00 -3.02 0.52 3.14 -1.26 -5.02 118.33 110.28 1h7d n VAL 13 Ca 0.01 0.00 -0.17 0.00 -2.96 0.00 0.00 64.34 61.22 1h7d n VAL 13 Cb 0.05 -0.30 -0.02 0.00 -1.06 0.00 0.00 33.84 32.50 1h7d n VAL 13 CO 0.00 0.00 0.00 -0.11 -6.46 0.00 0.00 176.83 170.26 1h7d n LEU 14 N -2.67 -1.34 -3.55 6.55 7.94 -1.26 -5.01 117.00 117.65 1h7d n LEU 14 Ca 0.00 -4.00 -0.40 0.00 -1.11 0.00 0.00 56.01 50.50 1h7d n LEU 14 Cb 0.00 0.71 0.01 0.00 0.53 0.00 0.00 43.42 44.67 1h7d n LEU 14 CO 0.00 2.01 1.99 -0.24 -1.11 0.00 0.00 177.39 180.04 1h7d n SER 15 N 1.82 7.75 -3.01 1.96 2.88 -1.26 -4.71 113.62 119.05 1h7d n SER 15 Ca 0.18 -3.37 -0.05 0.00 -1.33 0.00 0.00 58.87 54.29 1h7d n SER 15 Cb 0.56 -1.28 0.02 0.00 -0.75 0.00 0.00 64.21 62.77 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 0.98 -1.54 -0.00 -1.46 6.02 -1.26 -5.01 117.38 115.11 1h7d n GLN 16 Ca 0.56 1.20 -0.00 0.00 -0.01 0.00 0.00 57.00 58.75 1h7d n GLN 16 Cb 0.25 -5.47 -0.00 0.00 1.02 0.00 0.00 30.24 26.04 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 -1.54 -0.54 0.09 1.08 0.00 -1.26 -4.72 105.19 98.29 1h7d n GLY 17 Ca -0.02 -0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.02 0.14 -0.03 1.61 0.13 -1.99 -3.47 132.00 128.38 1h7d h PRO 18 Ca 0.00 -0.13 -0.01 0.00 -0.87 0.00 0.00 66.00 64.99 1h7d h PRO 18 Cb 0.01 0.03 -0.00 0.00 0.13 0.00 0.00 31.00 31.17 1h7d h PRO 18 CO 0.00 0.85 -0.01 -2.37 -0.23 0.00 0.00 178.00 176.24 1h7d n THR 19 N -4.58 0.00 -0.73 1.56 5.66 -1.26 -4.80 114.28 110.14 1h7d n THR 19 Ca -0.09 0.00 0.09 0.00 -3.05 0.00 0.00 64.05 60.99 1h7d n THR 19 Cb 0.45 -0.75 0.36 0.00 -1.55 0.00 0.00 70.33 68.84 1h7d n THR 19 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1h7d n GLY 20 N -0.15 2.95 2.67 1.09 0.00 -1.26 -4.58 105.19 105.91 1h7d n GLY 20 Ca -0.01 -0.88 -0.39 0.00 0.00 0.00 0.00 46.02 44.74 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 0.82 7.44 0.08 0.99 4.77 -1.26 -4.36 117.00 125.48 1h7d n LEU 21 Ca 0.26 -5.04 0.00 0.00 -0.03 0.00 0.00 56.01 51.19 1h7d n LEU 21 Cb 0.97 -1.18 0.00 0.00 -2.33 0.00 0.00 43.42 40.88 1h7d n LEU 21 CO 0.25 1.95 0.00 -0.11 -1.33 0.00 0.00 177.39 178.15 1h7d n LEU 22 N 0.18 0.41 0.31 2.23 7.94 -1.26 -4.76 117.00 122.05 1h7d n LEU 22 Ca 0.52 0.26 0.20 0.00 -1.11 0.00 0.00 56.01 55.87 1h7d n LEU 22 Cb 0.28 0.02 1.03 0.00 0.53 0.00 0.00 43.42 45.28 1h7d n LEU 22 CO 0.53 -0.73 1.12 1.23 -1.11 0.00 0.00 177.39 178.43 1h7d h GLY 23 N 0.00 0.00 2.00 -3.96 0.00 -1.94 0.46 103.07 99.63 1h7d h GLY 23 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.31 1h7d h GLY 23 CO 0.00 0.00 -0.10 1.70 0.00 0.00 0.00 176.54 178.14 1h7d h LYS 24 N 0.00 0.00 0.00 4.80 1.63 -1.87 0.13 116.57 121.26 1h7d h LYS 24 Ca -0.00 0.00 -0.07 0.00 -0.85 0.00 0.00 60.65 59.73 1h7d h LYS 24 Cb 0.16 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 31.77 1h7d h LYS 24 CO 0.00 0.10 -0.82 0.28 -3.45 0.00 0.00 179.45 175.56 1h7d h VAL 25 N 0.00 0.30 0.08 2.00 2.07 -1.20 -3.01 116.25 116.50 1h7d h VAL 25 Ca -0.00 -1.51 -0.21 0.00 0.82 0.00 0.00 66.70 65.80 1h7d h VAL 25 Cb 0.64 1.92 -0.01 0.00 -1.52 0.00 0.00 31.29 32.33 1h7d h VAL 25 CO 0.01 0.17 -1.10 0.00 0.02 0.00 0.00 177.57 176.68 1h7d h ALA 26 N 1.74 0.14 -0.12 1.67 0.00 -1.26 -3.34 119.26 118.09 1h7d h ALA 26 Ca -0.04 -0.98 0.03 0.00 0.00 0.00 0.00 54.91 53.92 1h7d h ALA 26 Cb 1.23 0.41 -0.03 0.00 0.00 0.00 0.00 17.79 19.41 1h7d h ALA 26 CO 0.03 0.63 -0.06 0.87 0.00 0.00 0.00 179.25 180.71 1h7d h LYS 27 N -0.55 -0.05 -0.88 0.00 1.57 -0.90 0.78 116.57 116.54 1h7d h LYS 27 Ca -0.25 0.00 0.25 0.00 -1.87 0.00 0.00 60.65 58.79 1h7d h LYS 27 Cb 1.54 0.01 -0.04 0.00 0.08 0.00 0.00 32.23 33.83 1h7d h LYS 27 CO 0.01 -0.03 0.88 0.00 -0.57 0.00 0.00 179.45 179.74 1h7d h THR 28 N -0.05 0.20 0.03 -0.16 1.03 -1.68 1.25 112.91 113.53 1h7d h THR 28 Ca 0.07 0.00 -0.31 0.00 -0.01 0.00 0.00 66.41 66.16 1h7d h THR 28 Cb 0.15 0.31 -0.04 0.00 -1.07 0.00 0.00 68.15 67.50 1h7d h THR 28 CO -0.15 0.00 -1.80 0.00 -0.01 0.00 0.00 175.52 173.55 1h7d n TYR 29 N -3.59 1.02 0.42 0.00 4.19 0.10 -2.47 117.16 116.83 1h7d n TYR 29 Ca 0.19 0.33 0.05 0.00 3.31 0.00 0.00 57.90 61.78 1h7d n TYR 29 Cb 1.17 -1.17 0.25 0.00 0.49 0.00 0.00 39.34 40.08 1h7d n TYR 29 CO 0.00 0.00 0.00 0.94 0.91 0.00 0.00 176.86 178.71 1h7d n GLN 30 N -3.14 0.04 -0.06 2.98 0.00 0.42 -2.03 117.38 115.59 1h7d n GLN 30 Ca -0.21 0.28 -0.09 0.00 -0.00 0.00 0.00 57.00 56.98 1h7d n GLN 30 Cb 1.05 -1.50 -0.06 0.00 0.00 0.00 0.00 30.24 29.73 1h7d n GLN 30 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.06 177.40 1h7d n PHE 31 N -1.45 0.00 0.27 3.69 -0.00 -0.58 -4.46 117.46 114.93 1h7d n PHE 31 Ca 0.03 0.00 0.14 0.00 -0.00 0.00 0.00 57.45 57.63 1h7d n PHE 31 Cb 0.12 -0.50 0.71 0.00 -0.00 0.00 0.00 39.48 39.81 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 0.00 0.00 -1.13 -2.13 -0.00 -1.28 0.12 115.31 110.90 1h7d h LEU 32 Ca -0.29 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.59 1h7d h LEU 32 Cb 1.45 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 42.11 1h7d h LEU 32 CO -0.04 0.00 0.00 0.33 -0.00 0.00 0.00 178.44 178.73 1h7d n PHE 33 N -2.52 0.38 -3.07 1.13 7.35 -0.86 -4.18 117.46 115.70 1h7d n PHE 33 Ca -0.01 -0.19 -0.18 0.00 -0.76 0.00 0.00 57.45 56.31 1h7d n PHE 33 Cb 0.12 0.00 -0.02 0.00 0.35 0.00 0.00 39.48 39.93 1h7d n PHE 33 CO 0.00 0.00 0.00 0.43 -0.76 0.00 0.00 176.76 176.43 1h7d n SER 34 N 0.38 -0.36 -0.04 -2.13 7.64 0.43 -4.89 113.62 114.66 1h7d n SER 34 Ca 0.11 -3.01 -0.04 0.00 1.01 0.00 0.00 58.87 56.95 1h7d n SER 34 Cb 0.27 0.03 -0.08 0.00 -1.01 0.00 0.00 64.21 63.42 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 0.95 0.61 -2.88 0.44 -5.35 -1.26 -4.99 119.36 106.89 1h7d n ILE 35 Ca 0.19 -0.40 0.00 0.00 -0.27 0.00 0.00 62.75 62.27 1h7d n ILE 35 Cb 0.61 -0.68 0.00 0.00 -1.74 0.00 0.00 39.64 37.83 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 2.38 0.00 3.08 3.28 0.00 -1.26 -4.99 105.19 107.67 1h7d n GLY 36 Ca -0.15 0.00 0.05 0.00 0.00 0.00 0.00 46.02 45.92 1h7d n GLY 36 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1h7d s ARG 37 N -0.75 0.07 0.00 1.61 6.06 -1.26 -5.02 118.95 119.66 1h7d s ARG 37 Ca 0.00 0.05 0.00 0.00 -2.50 0.00 0.00 55.73 53.28 1h7d s ARG 37 Cb 0.00 0.03 0.00 0.00 0.06 0.00 0.00 34.95 35.04 1h7d s ARG 37 CO 0.00 -0.13 0.00 0.00 -2.50 0.00 0.00 175.30 172.67 1h7d s PRO 39 N 0.00 4.34 -0.97 0.00 0.04 -1.26 -4.53 135.00 132.63 1h7d s PRO 39 Ca 0.00 1.70 -0.01 0.00 0.04 0.00 0.00 61.00 62.73 1h7d s PRO 39 Cb 0.00 -3.57 0.31 0.00 0.04 0.00 0.00 34.50 31.28 1h7d s PRO 39 CO 0.00 -0.47 1.46 0.44 0.04 0.00 0.00 177.00 178.47 1h7d n ILE 40 N 4.65 5.04 -3.88 0.56 -0.00 -1.26 -4.79 119.36 119.68 1h7d n ILE 40 Ca 0.11 -5.84 -0.37 0.00 -0.00 0.00 0.00 62.75 56.65 1h7d n ILE 40 Cb 0.46 -1.85 0.02 0.00 -0.00 0.00 0.00 39.64 38.28 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 0.66 -1.73 0.00 7.28 -0.00 -1.26 -4.63 117.00 117.32 1h7d n LEU 41 Ca 0.34 -1.14 0.00 0.00 -0.00 0.00 0.00 56.01 55.21 1h7d n LEU 41 Cb 0.32 -2.06 0.00 0.00 -0.00 0.00 0.00 43.42 41.69 1h7d n LEU 41 CO 0.59 0.60 0.00 0.00 -0.00 0.00 0.00 177.39 178.58 1h7d n ALA 42 N -4.56 0.00 0.17 1.96 0.00 -1.26 -5.07 120.51 111.75 1h7d n ALA 42 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.31 1h7d n ALA 42 Cb 0.59 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.04 1h7d n ALA 42 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1h7d n THR 43 N -1.07 0.00 0.00 0.00 -1.04 -1.26 -5.06 114.28 105.85 1h7d n THR 43 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1h7d n THR 43 Cb 0.00 -0.03 0.00 0.00 -1.82 0.00 0.00 70.33 68.48 1h7d n THR 43 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1h7d n GLN 44 N -3.19 0.00 -1.02 -2.82 10.64 -1.26 -4.20 117.38 115.52 1h7d n GLN 44 Ca 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.17 1h7d n GLN 44 Cb 0.00 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 29.38 1h7d n GLN 44 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1h7d n GLY 45 N 0.00 3.85 3.80 2.61 0.00 -1.26 -4.73 105.19 109.46 1h7d n GLY 45 Ca 0.00 -2.13 -0.30 0.00 0.00 0.00 0.00 46.02 43.60 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 -0.68 1.86 0.03 1.61 0.04 -1.26 -4.96 135.00 131.64 1h7d s PRO 46 Ca 0.00 0.55 -0.28 0.00 0.04 0.00 0.00 61.00 61.31 1h7d s PRO 46 Cb 0.00 -1.90 -0.17 0.00 0.04 0.00 0.00 34.50 32.47 1h7d s PRO 46 CO 0.00 -1.76 1.32 1.79 0.04 0.00 0.00 177.00 178.39 1h7d h THR 47 N -1.19 0.39 -4.13 1.26 1.35 -2.02 -3.44 112.91 105.13 1h7d h THR 47 Ca -0.48 -0.32 -0.63 0.00 -0.55 0.00 0.00 66.41 64.43 1h7d h THR 47 Cb 1.28 0.51 -0.25 0.00 -1.73 0.00 0.00 68.15 67.96 1h7d h THR 47 CO 0.60 0.05 -0.86 0.00 -0.25 0.00 0.00 175.52 175.06