#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 3.41 -0.06 1.12 0.11 -1.26 -4.37 120.40 119.35 1h7d s VAL 2 Ca 0.00 0.60 -0.00 0.00 -2.93 0.00 0.00 61.98 59.64 1h7d s VAL 2 Cb 0.00 -3.13 0.00 0.00 -1.53 0.00 0.00 36.38 31.72 1h7d s VAL 2 CO 0.00 -0.46 0.01 0.00 -3.33 0.00 0.00 175.10 171.32 1h7d n ALA 3 N -2.63 -2.20 0.16 1.54 0.00 -1.26 -4.90 120.51 111.22 1h7d n ALA 3 Ca 0.10 0.18 -0.12 0.00 0.00 0.00 0.00 53.44 53.60 1h7d n ALA 3 Cb 0.52 -0.75 -0.07 0.00 0.00 0.00 0.00 19.45 19.16 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 3.71 -0.45 0.00 0.00 0.00 -2.04 -3.47 119.26 117.01 1h7d h ALA 4 Ca -0.02 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1h7d h ALA 4 Cb 0.70 0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.67 1h7d h ALA 4 CO 0.02 -0.51 0.00 0.00 0.00 0.00 0.00 179.25 178.76 1h7d n ALA 5 N -2.59 0.84 0.04 0.00 0.00 -1.26 -5.10 120.51 112.44 1h7d n ALA 5 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.35 1h7d n ALA 5 Cb 0.27 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.72 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 -2.73 0.00 0.00 0.00 2.00 -1.26 -5.08 117.12 110.06 1h7d n MET 6 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.70 1h7d n MET 6 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.22 1h7d n MET 6 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 175.97 177.44 1h7d n LEU 7 N -2.75 0.00 -3.19 4.03 -0.00 -1.26 -5.10 117.00 108.73 1h7d n LEU 7 Ca 0.00 0.00 -0.23 0.00 -0.00 0.00 0.00 56.01 55.78 1h7d n LEU 7 Cb 0.00 0.32 0.02 0.00 -0.00 0.00 0.00 43.42 43.77 1h7d n LEU 7 CO 0.00 -0.32 -0.10 -0.11 -0.00 0.00 0.00 177.39 176.85 1h7d n LEU 8 N -2.00 -5.22 -2.83 1.47 7.94 -1.26 -5.01 117.00 110.09 1h7d n LEU 8 Ca 0.00 0.15 0.02 0.00 -1.11 0.00 0.00 56.01 55.07 1h7d n LEU 8 Cb 0.00 -2.52 0.00 0.00 0.53 0.00 0.00 43.42 41.44 1h7d n LEU 8 CO 0.00 -1.16 0.45 0.00 -1.11 0.00 0.00 177.39 175.57 1h7d s ARG 9 N -2.61 0.20 0.26 1.96 1.70 -1.26 -5.04 118.95 114.16 1h7d s ARG 9 Ca 0.30 -0.05 0.00 0.00 -0.47 0.00 0.00 55.73 55.52 1h7d s ARG 9 Cb -0.05 0.03 0.00 0.00 -0.57 0.00 0.00 34.95 34.36 1h7d s ARG 9 CO 0.82 -0.30 0.00 0.45 -1.08 0.00 0.00 175.30 175.19 1h7d n SER 10 N 3.87 -2.36 -3.44 -2.89 2.88 -1.26 -5.08 113.62 105.34 1h7d n SER 10 Ca 0.06 0.64 -0.29 0.00 -1.33 0.00 0.00 58.87 57.95 1h7d n SER 10 Cb 0.62 2.38 0.02 0.00 -0.75 0.00 0.00 64.21 66.49 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 -3.03 2.48 -0.21 0.00 0.04 -1.26 -5.01 135.00 128.00 1h7d s PRO 12 Ca 0.26 0.78 -0.19 0.00 0.04 0.00 0.00 61.00 61.90 1h7d s PRO 12 Cb -0.03 -1.95 -0.18 0.00 0.04 0.00 0.00 34.50 32.37 1h7d s PRO 12 CO 0.86 -1.38 0.13 0.28 0.04 0.00 0.00 177.00 176.93 1h7d n VAL 13 N -3.29 1.55 -2.22 -0.36 0.31 -1.26 -5.03 118.33 108.03 1h7d n VAL 13 Ca 0.07 -0.14 -0.03 0.00 -0.01 0.00 0.00 64.34 64.24 1h7d n VAL 13 Cb 0.55 -1.99 0.01 0.00 -0.91 0.00 0.00 33.84 31.51 1h7d n VAL 13 CO 0.00 0.00 0.00 -0.11 -1.32 0.00 0.00 176.83 175.40 1h7d n LEU 14 N -4.32 -2.34 0.07 7.52 7.94 -1.26 -5.00 117.00 119.61 1h7d n LEU 14 Ca -0.36 -0.10 -0.08 0.00 -1.11 0.00 0.00 56.01 54.36 1h7d n LEU 14 Cb 0.75 -0.93 -0.05 0.00 0.53 0.00 0.00 43.42 43.72 1h7d n LEU 14 CO 0.18 0.06 0.24 0.28 -1.11 0.00 0.00 177.39 177.04 1h7d h SER 15 N -0.31 -0.23 -1.96 1.96 0.02 -2.05 -3.42 113.55 107.57 1h7d h SER 15 Ca -0.10 -0.18 -0.50 0.00 -0.84 0.00 0.00 61.79 60.18 1h7d h SER 15 Cb 1.06 0.06 -0.39 0.00 0.14 0.00 0.00 62.40 63.26 1h7d h SER 15 CO 0.08 0.30 -1.16 0.00 -1.14 0.00 0.00 176.83 174.91 1h7d n GLN 16 N -4.95 0.89 0.00 3.45 3.00 -1.26 -4.92 117.38 113.59 1h7d n GLN 16 Ca -0.06 -3.30 0.00 0.00 -0.01 0.00 0.00 57.00 53.63 1h7d n GLN 16 Cb 0.20 -1.54 0.00 0.00 0.00 0.00 0.00 30.24 28.89 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 0.64 -0.45 0.07 1.08 0.00 -1.26 -4.83 105.19 100.44 1h7d n GLY 17 Ca 0.23 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.12 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 0.05 -1.70 1.61 0.13 -1.93 -3.47 132.00 126.69 1h7d h PRO 18 Ca 0.00 -0.05 -0.38 0.00 -0.87 0.00 0.00 66.00 64.71 1h7d h PRO 18 Cb 0.00 0.01 -0.09 0.00 0.13 0.00 0.00 31.00 31.05 1h7d h PRO 18 CO 0.00 0.78 -0.41 2.41 -0.23 0.00 0.00 178.00 180.55 1h7d n THR 19 N -4.68 -0.41 -0.13 1.56 -1.04 -1.26 -4.89 114.28 103.43 1h7d n THR 19 Ca -0.09 0.00 -0.04 0.00 -2.04 0.00 0.00 64.05 61.88 1h7d n THR 19 Cb 0.40 -2.24 -0.03 0.00 -1.82 0.00 0.00 70.33 66.63 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 -0.83 -2.92 0.00 3.41 0.00 -1.26 -4.51 105.19 99.08 1h7d n GLY 20 Ca -0.20 0.77 0.00 0.00 0.00 0.00 0.00 46.02 46.59 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 -3.72 0.00 -3.07 0.99 -0.00 -1.26 -5.02 117.00 104.92 1h7d n LEU 21 Ca 0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 56.01 56.02 1h7d n LEU 21 Cb 0.08 0.00 -0.00 0.00 -0.00 0.00 0.00 43.42 43.50 1h7d n LEU 21 CO -0.05 0.00 -0.47 -0.11 -0.00 0.00 0.00 177.39 176.75 1h7d n LEU 22 N 0.00 -4.68 0.00 1.47 0.00 -1.26 -4.58 117.00 107.94 1h7d n LEU 22 Ca 0.00 0.71 0.00 0.00 0.00 0.00 0.00 56.01 56.72 1h7d n LEU 22 Cb 0.00 -2.00 0.00 0.00 0.00 0.00 0.00 43.42 41.42 1h7d n LEU 22 CO 0.00 -1.96 0.00 0.61 0.00 0.00 0.00 177.39 176.04 1h7d n GLY 23 N 1.24 2.66 0.19 -3.96 0.00 -1.26 -4.89 105.19 99.17 1h7d n GLY 23 Ca -0.01 -0.37 0.14 0.00 0.00 0.00 0.00 46.02 45.78 1h7d n GLY 23 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1h7d h LYS 24 N 0.00 0.00 0.00 1.61 1.57 -1.98 0.14 116.57 117.91 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 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 1h7d h LYS 24 CO 0.00 0.00 -0.91 0.28 -0.57 0.00 0.00 179.45 178.25 1h7d h VAL 25 N 0.00 0.00 0.07 0.50 2.07 -1.92 -3.00 116.25 113.96 1h7d h VAL 25 Ca 0.00 -0.87 -0.32 0.00 0.82 0.00 0.00 66.70 66.33 1h7d h VAL 25 Cb 0.42 1.38 -0.03 0.00 -1.52 0.00 0.00 31.29 31.54 1h7d h VAL 25 CO 0.00 0.00 -1.74 0.00 0.02 0.00 0.00 177.57 175.85 1h7d n ALA 26 N -2.09 0.87 0.43 1.67 0.00 -0.51 -3.86 120.51 117.01 1h7d n ALA 26 Ca 0.01 -0.58 -0.18 0.00 0.00 0.00 0.00 53.44 52.69 1h7d n ALA 26 Cb 0.52 -0.59 -0.09 0.00 0.00 0.00 0.00 19.45 19.29 1h7d n ALA 26 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1h7d h LYS 27 N -0.39 -1.06 -0.98 0.00 3.64 -0.93 -1.67 116.57 115.18 1h7d h LYS 27 Ca -0.41 0.07 0.28 0.00 -1.27 0.00 0.00 60.65 59.32 1h7d h LYS 27 Cb 1.73 0.24 -0.18 0.00 -0.41 0.00 0.00 32.23 33.61 1h7d h LYS 27 CO -0.05 -0.70 0.06 -2.37 -2.27 0.00 0.00 179.45 174.12 1h7d n THR 28 N -5.54 -0.41 -0.21 1.00 5.66 -1.13 0.18 114.28 113.83 1h7d n THR 28 Ca -0.15 2.14 -0.08 0.00 -3.05 0.00 0.00 64.05 62.91 1h7d n THR 28 Cb 0.44 -3.15 0.03 0.00 -1.55 0.00 0.00 70.33 66.11 1h7d n THR 28 CO 0.00 0.00 0.00 1.88 -3.05 0.00 0.00 175.07 173.90 1h7d h TYR 29 N 0.00 0.96 0.00 1.09 -1.99 -1.61 1.28 116.97 116.70 1h7d h TYR 29 Ca 0.61 -0.09 0.00 0.00 2.00 0.00 0.00 58.73 61.25 1h7d h TYR 29 Cb 1.30 -0.28 0.00 0.00 2.00 0.00 0.00 36.73 39.75 1h7d h TYR 29 CO -0.46 0.79 0.22 1.96 -0.00 0.00 0.00 178.16 180.67 1h7d h GLN 30 N 0.85 0.00 0.00 4.88 1.08 0.29 0.46 115.11 122.67 1h7d h GLN 30 Ca 0.19 0.00 -0.24 0.00 -1.45 0.00 0.00 58.65 57.16 1h7d h GLN 30 Cb 0.28 0.00 -0.04 0.00 -0.05 0.00 0.00 27.48 27.67 1h7d h GLN 30 CO -0.01 0.00 -1.81 0.34 -0.95 0.00 0.00 178.83 176.40 1h7d n PHE 31 N -2.76 0.00 -0.24 2.96 7.35 -0.64 -4.54 117.46 119.60 1h7d n PHE 31 Ca -0.02 0.00 0.24 0.00 -0.76 0.00 0.00 57.45 56.91 1h7d n PHE 31 Cb 0.27 -0.53 0.60 0.00 0.35 0.00 0.00 39.48 40.17 1h7d n PHE 31 CO 0.00 0.00 0.00 -0.07 -0.76 0.00 0.00 176.76 175.93 1h7d h LEU 32 N -0.38 0.25 -1.80 -2.13 -0.00 0.20 0.79 115.31 112.23 1h7d h LEU 32 Ca -0.35 0.03 0.00 0.00 -0.00 0.00 0.00 57.88 57.56 1h7d h LEU 32 Cb 1.37 -0.01 0.00 0.00 -0.00 0.00 0.00 40.66 42.01 1h7d h LEU 32 CO -0.18 0.08 0.23 0.15 -0.00 0.00 0.00 178.44 178.72 1h7d h PHE 33 N 0.24 0.00 -1.50 1.13 3.57 -1.13 -3.31 116.94 115.94 1h7d h PHE 33 Ca 0.48 0.00 -0.17 0.00 3.53 0.00 0.00 57.97 61.81 1h7d h PHE 33 Cb 1.47 0.00 -0.26 0.00 2.79 0.00 0.00 35.95 39.95 1h7d h PHE 33 CO -0.00 0.00 -0.53 0.45 -2.23 0.00 0.00 178.31 176.00 1h7d s SER 34 N -4.24 -0.15 0.00 0.41 0.15 0.27 -4.98 113.70 105.17 1h7d s SER 34 Ca -0.03 -0.67 0.00 0.00 0.70 0.00 0.00 55.95 55.95 1h7d s SER 34 Cb 0.08 1.30 0.00 0.00 -1.71 0.00 0.00 66.02 65.69 1h7d s SER 34 CO 0.25 -0.28 0.00 2.30 1.20 0.00 0.00 173.24 176.70 1h7d n ILE 35 N 4.89 0.00 0.00 6.45 -6.64 -1.24 -4.88 119.36 117.94 1h7d n ILE 35 Ca 0.06 0.00 0.00 0.00 -1.77 0.00 0.00 62.75 61.04 1h7d n ILE 35 Cb 0.51 -0.35 0.00 0.00 -1.44 0.00 0.00 39.64 38.35 1h7d n ILE 35 CO 0.00 0.00 0.00 0.61 -1.77 0.00 0.00 176.55 175.39 1h7d n GLY 36 N 1.46 1.66 2.76 3.28 0.00 -1.26 -5.10 105.19 107.97 1h7d n GLY 36 Ca 0.00 -1.04 -0.07 0.00 0.00 0.00 0.00 46.02 44.91 1h7d n GLY 36 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1h7d s ARG 37 N -2.00 1.01 0.00 1.61 0.52 -1.26 -4.95 118.95 113.88 1h7d s ARG 37 Ca 0.00 -1.12 0.00 0.00 -0.52 0.00 0.00 55.73 54.09 1h7d s ARG 37 Cb 0.00 -0.26 0.00 0.00 0.52 0.00 0.00 34.95 35.21 1h7d s ARG 37 CO 0.00 -1.32 0.00 0.00 0.02 0.00 0.00 175.30 174.00 1h7d s PRO 39 N 0.00 3.09 0.32 0.00 0.04 -1.26 -4.77 135.00 132.42 1h7d s PRO 39 Ca 0.00 -0.73 0.06 0.00 0.04 0.00 0.00 61.00 60.36 1h7d s PRO 39 Cb 0.00 -5.22 0.55 0.00 0.04 0.00 0.00 34.50 29.87 1h7d s PRO 39 CO 0.00 -2.78 1.79 0.82 0.04 0.00 0.00 177.00 176.86 1h7d h ILE 40 N 7.00 1.25 -1.18 0.56 2.04 -1.99 -3.34 117.51 121.84 1h7d h ILE 40 Ca 0.15 -1.15 -0.40 0.00 1.00 0.00 0.00 64.86 64.46 1h7d h ILE 40 Cb 1.01 1.36 -0.29 0.00 -0.74 0.00 0.00 36.82 38.15 1h7d h ILE 40 CO 1.32 0.36 -0.88 0.00 0.00 0.00 0.00 178.15 178.96 1h7d n LEU 41 N -4.15 -0.73 -2.94 1.44 -0.00 -1.26 -5.01 117.00 104.35 1h7d n LEU 41 Ca -0.01 -4.33 -0.01 0.00 -0.00 0.00 0.00 56.01 51.66 1h7d n LEU 41 Cb 0.37 0.77 0.00 0.00 -0.00 0.00 0.00 43.42 44.57 1h7d n LEU 41 CO 0.40 2.14 0.17 0.00 -0.00 0.00 0.00 177.39 180.10 1h7d s ALA 42 N -0.95 -2.63 0.11 1.47 0.00 -1.25 -5.02 121.76 113.50 1h7d s ALA 42 Ca 0.33 0.07 -0.16 0.00 0.00 0.00 0.00 51.96 52.21 1h7d s ALA 42 Cb 0.27 -2.78 -0.03 0.00 0.00 0.00 0.00 23.12 20.58 1h7d s ALA 42 CO -0.11 -2.28 1.57 0.00 0.00 0.00 0.00 175.76 174.94 1h7d h THR 43 N 4.66 1.25 0.00 0.00 1.03 -1.95 -3.44 112.91 114.45 1h7d h THR 43 Ca 0.04 -0.92 0.00 0.00 -0.01 0.00 0.00 66.41 65.52 1h7d h THR 43 Cb 1.15 1.15 0.00 0.00 -1.07 0.00 0.00 68.15 69.38 1h7d h THR 43 CO 0.03 0.31 -0.03 0.00 -0.01 0.00 0.00 175.52 175.82 1h7d n GLN 44 N -4.53 0.00 0.00 0.00 1.13 -1.26 -5.10 117.38 107.62 1h7d n GLN 44 Ca -0.01 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.05 1h7d n GLN 44 Cb 0.25 -0.10 0.00 0.00 0.11 0.00 0.00 30.24 30.50 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 1.89 -0.88 3.16 1.08 0.00 -1.26 -3.58 105.19 105.60 1h7d n GLY 45 Ca 0.00 -1.28 -0.40 0.00 0.00 0.00 0.00 46.02 44.34 1h7d n GLY 45 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1h7d n PRO 46 N 0.00 2.25 -4.02 1.61 -0.04 -1.26 -4.45 135.00 129.09 1h7d n PRO 46 Ca 0.00 -2.45 -0.41 0.00 -0.04 0.00 0.00 63.50 60.59 1h7d n PRO 46 Cb 0.00 -3.28 0.02 0.00 -0.04 0.00 0.00 33.50 30.19 1h7d n PRO 46 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1h7d n THR 47 N 6.12 -2.57 -2.78 0.52 -2.24 -1.26 -3.10 114.28 108.98 1h7d n THR 47 Ca 0.49 -0.46 -0.02 0.00 -2.27 0.00 0.00 64.05 61.80 1h7d n THR 47 Cb 0.42 -2.20 0.00 0.00 -2.10 0.00 0.00 70.33 66.45 1h7d n THR 47 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50