#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 0.00 -0.30 1.12 0.11 -1.26 -5.17 120.40 114.91 1h7d s VAL 2 Ca 0.00 0.00 -0.17 0.00 -2.93 0.00 0.00 61.98 58.88 1h7d s VAL 2 Cb 0.00 -1.00 0.20 0.00 -1.53 0.00 0.00 36.38 34.05 1h7d s VAL 2 CO 0.00 0.00 1.22 0.00 -3.33 0.00 0.00 175.10 172.99 1h7d s ALA 3 N -0.39 -2.54 0.13 1.54 0.00 -1.26 -5.05 121.76 114.19 1h7d s ALA 3 Ca -0.02 1.99 -0.31 0.00 0.00 0.00 0.00 51.96 53.62 1h7d s ALA 3 Cb -0.03 -1.91 -0.08 0.00 0.00 0.00 0.00 23.12 21.10 1h7d s ALA 3 CO 0.01 -0.30 1.56 0.00 0.00 0.00 0.00 175.76 177.03 1h7d h ALA 4 N 5.10 -0.72 0.00 0.00 0.00 -2.02 -3.44 119.26 118.17 1h7d h ALA 4 Ca -0.27 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.63 1h7d h ALA 4 Cb 1.17 0.97 0.00 0.00 0.00 0.00 0.00 17.79 19.93 1h7d h ALA 4 CO 0.22 -1.01 0.00 0.00 0.00 0.00 0.00 179.25 178.46 1h7d n ALA 5 N -3.02 0.80 0.12 0.00 0.00 -1.26 -5.07 120.51 112.09 1h7d n ALA 5 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.40 1h7d n ALA 5 Cb 0.36 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.81 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 -3.47 0.00 0.07 0.00 2.00 -1.26 -5.08 117.12 109.38 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 1.28 0.00 0.00 0.00 175.97 177.25 1h7d n LEU 7 N -3.11 -0.57 -2.68 4.03 4.77 -1.26 -5.08 117.00 113.10 1h7d n LEU 7 Ca 0.00 0.25 -0.04 0.00 -0.03 0.00 0.00 56.01 56.19 1h7d n LEU 7 Cb 0.00 0.68 0.03 0.00 -2.33 0.00 0.00 43.42 41.81 1h7d n LEU 7 CO 0.00 -0.48 0.44 0.00 -1.33 0.00 0.00 177.39 176.02 1h7d n LEU 8 N -2.88 -1.75 -1.57 2.23 -0.00 -1.26 -4.98 117.00 106.78 1h7d n LEU 8 Ca 0.00 -1.34 -0.01 0.00 -0.00 0.00 0.00 56.01 54.67 1h7d n LEU 8 Cb 0.00 0.58 0.00 0.00 -0.00 0.00 0.00 43.42 44.01 1h7d n LEU 8 CO 0.00 1.33 0.20 0.54 -0.00 0.00 0.00 177.39 179.46 1h7d n ARG 9 N 2.53 0.30 -1.16 1.47 5.12 -1.26 -4.89 116.66 118.77 1h7d n ARG 9 Ca 0.12 -1.77 -0.24 0.00 -1.93 0.00 0.00 57.85 54.03 1h7d n ARG 9 Cb 0.64 0.02 0.15 0.00 -1.16 0.00 0.00 32.46 32.12 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 0.04 4.27 -4.92 0.55 2.88 -1.26 -4.94 113.62 110.25 1h7d n SER 10 Ca -0.07 -3.52 -0.31 0.00 -1.33 0.00 0.00 58.87 53.63 1h7d n SER 10 Cb 0.94 -0.84 -0.04 0.00 -0.75 0.00 0.00 64.21 63.52 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 -2.48 4.25 -0.34 0.00 0.04 -1.26 -4.93 135.00 130.26 1h7d s PRO 12 Ca 0.35 1.57 0.00 0.00 0.04 0.00 0.00 61.00 62.96 1h7d s PRO 12 Cb -0.13 -2.66 0.33 0.00 0.04 0.00 0.00 34.50 32.08 1h7d s PRO 12 CO 0.27 -0.08 1.81 0.28 0.04 0.00 0.00 177.00 179.32 1h7d n VAL 13 N 0.16 2.69 -3.03 -0.36 0.31 -1.26 -4.84 118.33 112.00 1h7d n VAL 13 Ca 0.04 -1.60 -0.01 0.00 -0.01 0.00 0.00 64.34 62.76 1h7d n VAL 13 Cb 0.49 -1.02 0.00 0.00 -0.91 0.00 0.00 33.84 32.40 1h7d n VAL 13 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 1h7d n LEU 14 N -0.20 -6.95 0.04 7.52 7.99 -1.26 -4.94 117.00 119.20 1h7d n LEU 14 Ca 0.37 0.01 -0.13 0.00 -0.01 0.00 0.00 56.01 56.26 1h7d n LEU 14 Cb 0.87 -3.33 -0.09 0.00 -0.11 0.00 0.00 43.42 40.77 1h7d n LEU 14 CO 0.43 -1.30 0.64 -1.28 -1.51 0.00 0.00 177.39 174.37 1h7d h SER 15 N 0.68 -0.10 -2.33 -1.43 0.87 -1.97 -3.30 113.55 105.96 1h7d h SER 15 Ca -0.00 -0.33 -0.73 0.00 -1.23 0.00 0.00 61.79 59.49 1h7d h SER 15 Cb 1.00 0.03 -0.32 0.00 -0.44 0.00 0.00 62.40 62.66 1h7d h SER 15 CO 0.29 0.29 0.43 0.00 -0.53 0.00 0.00 176.83 177.31 1h7d n GLN 16 N -4.96 4.55 0.00 2.24 6.02 -1.26 -4.69 117.38 119.28 1h7d n GLN 16 Ca -0.08 -4.72 0.00 0.00 -0.01 0.00 0.00 57.00 52.19 1h7d n GLN 16 Cb 0.22 -2.40 0.00 0.00 1.02 0.00 0.00 30.24 29.09 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 0.08 0.07 3.79 1.08 0.00 -1.24 -5.11 105.19 103.85 1h7d n GLY 17 Ca 0.39 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.12 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 -0.44 1.24 -0.40 1.61 0.04 -1.26 -5.06 135.00 130.73 1h7d s PRO 18 Ca 0.00 0.33 0.03 0.00 0.04 0.00 0.00 61.00 61.40 1h7d s PRO 18 Cb 0.00 -1.85 0.16 0.00 0.04 0.00 0.00 34.50 32.85 1h7d s PRO 18 CO 0.00 -2.14 0.37 0.95 0.04 0.00 0.00 177.00 176.22 1h7d s THR 19 N -3.26 -0.06 -0.89 1.26 -4.23 -1.26 -5.01 115.64 102.18 1h7d s THR 19 Ca 0.63 -1.76 -0.02 0.00 -1.18 0.00 0.00 61.69 59.37 1h7d s THR 19 Cb -0.15 -0.90 0.30 0.00 1.34 0.00 0.00 72.50 73.10 1h7d s THR 19 CO 0.53 -0.85 2.05 0.61 -0.54 0.00 0.00 174.62 176.43 1h7d n GLY 20 N 3.53 5.59 2.40 3.99 0.00 -1.26 -4.71 105.19 114.73 1h7d n GLY 20 Ca 0.19 -2.44 -0.25 0.00 0.00 0.00 0.00 46.02 43.52 1h7d n GLY 20 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1h7d n LEU 21 N -0.17 -0.65 0.03 0.99 7.94 -1.26 -4.84 117.00 119.04 1h7d n LEU 21 Ca 0.52 -4.30 0.00 0.00 -1.11 0.00 0.00 56.01 51.12 1h7d n LEU 21 Cb 0.27 0.57 0.00 0.00 0.53 0.00 0.00 43.42 44.79 1h7d n LEU 21 CO 0.50 1.88 0.00 -0.11 -1.11 0.00 0.00 177.39 178.55 1h7d n LEU 22 N 2.76 -0.48 0.00 -1.96 7.94 -1.26 -4.92 117.00 119.08 1h7d n LEU 22 Ca 0.29 0.31 0.07 0.00 -1.11 0.00 0.00 56.01 55.57 1h7d n LEU 22 Cb 0.49 0.70 0.30 0.00 0.53 0.00 0.00 43.42 45.44 1h7d n LEU 22 CO 0.08 -0.01 0.72 0.61 -1.11 0.00 0.00 177.39 177.68 1h7d n GLY 23 N -1.10 -0.99 0.10 -3.96 0.00 -1.26 -1.16 105.19 96.82 1h7d n GLY 23 Ca 0.00 -0.05 0.12 0.00 0.00 0.00 0.00 46.02 46.09 1h7d n GLY 23 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1h7d h LYS 24 N 0.00 0.00 0.00 1.61 3.64 -1.91 -2.81 116.57 117.10 1h7d h LYS 24 Ca 0.00 0.00 -0.08 0.00 -1.27 0.00 0.00 60.65 59.30 1h7d h LYS 24 Cb 0.24 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.05 1h7d h LYS 24 CO 0.00 0.00 -1.76 0.28 -2.27 0.00 0.00 179.45 175.70 1h7d n VAL 25 N -2.33 0.29 0.05 2.00 0.31 -0.47 -4.05 118.33 114.12 1h7d n VAL 25 Ca 0.03 -0.41 -0.03 0.00 -0.01 0.00 0.00 64.34 63.92 1h7d n VAL 25 Cb 0.46 -0.08 -0.01 0.00 -0.91 0.00 0.00 33.84 33.30 1h7d n VAL 25 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1h7d h ALA 26 N 1.14 -0.25 -0.32 3.52 0.00 -1.21 -2.96 119.26 119.19 1h7d h ALA 26 Ca -0.12 -0.04 0.07 0.00 0.00 0.00 0.00 54.91 54.83 1h7d h ALA 26 Cb 1.04 0.07 -0.08 0.00 0.00 0.00 0.00 17.79 18.82 1h7d h ALA 26 CO 0.01 -0.23 -0.28 0.87 0.00 0.00 0.00 179.25 179.61 1h7d h LYS 27 N -0.73 -0.24 -0.76 0.00 1.79 -1.76 0.52 116.57 115.39 1h7d h LYS 27 Ca -0.02 0.02 0.08 0.00 -2.18 0.00 0.00 60.65 58.55 1h7d h LYS 27 Cb 0.14 0.05 -0.11 0.00 -1.58 0.00 0.00 32.23 30.74 1h7d h LYS 27 CO 0.03 -0.16 -0.54 1.15 -1.08 0.00 0.00 179.45 178.85 1h7d h THR 28 N -0.25 0.01 -0.70 -0.16 2.02 -1.70 0.19 112.91 112.31 1h7d h THR 28 Ca 0.16 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.32 1h7d h THR 28 Cb 0.50 0.01 -0.03 0.00 -1.74 0.00 0.00 68.15 66.89 1h7d h THR 28 CO -0.46 0.00 0.38 0.22 0.37 0.00 0.00 175.52 176.03 1h7d h TYR 29 N -0.16 0.97 -0.24 3.16 3.20 -1.14 0.84 116.97 123.60 1h7d h TYR 29 Ca 0.15 -0.03 0.07 0.00 3.14 0.00 0.00 58.73 62.07 1h7d h TYR 29 Cb 0.51 -0.31 -0.01 0.00 1.54 0.00 0.00 36.73 38.46 1h7d h TYR 29 CO -0.88 0.69 0.55 0.37 -1.64 0.00 0.00 178.16 177.25 1h7d h GLN 30 N 0.97 0.00 0.00 1.82 5.75 0.30 0.54 115.11 124.49 1h7d h GLN 30 Ca 0.25 0.00 -0.21 0.00 -0.15 0.00 0.00 58.65 58.54 1h7d h GLN 30 Cb 0.04 0.00 -0.04 0.00 1.07 0.00 0.00 27.48 28.56 1h7d h GLN 30 CO -0.04 0.00 -1.78 0.34 -2.65 0.00 0.00 178.83 174.70 1h7d n PHE 31 N -3.14 0.00 -0.26 3.99 7.35 -0.53 -4.56 117.46 120.31 1h7d n PHE 31 Ca 0.04 0.00 0.05 0.00 -0.76 0.00 0.00 57.45 56.78 1h7d n PHE 31 Cb 0.66 -0.53 0.28 0.00 0.35 0.00 0.00 39.48 40.25 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 -0.07 0.82 -0.77 -2.13 -0.00 0.17 -1.73 115.31 111.61 1h7d h LEU 32 Ca -0.31 0.00 0.18 0.00 -0.00 0.00 0.00 57.88 57.75 1h7d h LEU 32 Cb 1.46 -0.17 -0.14 0.00 -0.00 0.00 0.00 40.66 41.81 1h7d h LEU 32 CO -0.07 0.53 -0.00 0.15 -0.00 0.00 0.00 178.44 179.05 1h7d h PHE 33 N 0.93 -0.07 -2.39 1.13 3.04 -0.18 -3.25 116.94 116.15 1h7d h PHE 33 Ca 0.36 0.06 -0.59 0.00 3.98 0.00 0.00 57.97 61.78 1h7d h PHE 33 Cb 0.21 0.15 -0.38 0.00 2.56 0.00 0.00 35.95 38.49 1h7d h PHE 33 CO -0.00 -0.26 -0.96 -1.12 -2.02 0.00 0.00 178.31 173.95 1h7d s SER 34 N -5.18 1.58 0.00 0.41 0.01 -0.70 -5.06 113.70 104.75 1h7d s SER 34 Ca -0.13 -2.98 0.00 0.00 1.31 0.00 0.00 55.95 54.14 1h7d s SER 34 Cb 0.23 -0.43 0.00 0.00 0.21 0.00 0.00 66.02 66.02 1h7d s SER 34 CO 0.76 -0.18 0.00 -0.38 0.41 0.00 0.00 173.24 173.84 1h7d n ILE 35 N 2.96 0.00 -2.05 1.44 2.08 -0.87 -4.91 119.36 118.01 1h7d n ILE 35 Ca 0.28 0.20 -0.01 0.00 0.56 0.00 0.00 62.75 63.78 1h7d n ILE 35 Cb 0.47 -1.08 0.00 0.00 -0.75 0.00 0.00 39.64 38.28 1h7d n ILE 35 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1h7d n GLY 36 N 0.00 -2.51 0.00 7.39 0.00 -1.26 -4.93 105.19 103.88 1h7d n GLY 36 Ca 0.00 0.22 0.00 0.00 0.00 0.00 0.00 46.02 46.24 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 0.03 0.00 -4.25 1.61 5.12 -1.26 -5.14 116.66 112.77 1h7d n ARG 37 Ca 0.02 0.00 -0.21 0.00 -1.93 0.00 0.00 57.85 55.73 1h7d n ARG 37 Cb 0.08 0.00 -0.12 0.00 -1.16 0.00 0.00 32.46 31.26 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 -1.98 4.48 -0.07 0.00 0.04 -1.26 -4.92 135.00 131.29 1h7d s PRO 39 Ca 0.05 1.73 0.18 0.00 0.04 0.00 0.00 61.00 63.00 1h7d s PRO 39 Cb -0.09 -3.34 -0.23 0.00 0.04 0.00 0.00 34.50 30.87 1h7d s PRO 39 CO 0.04 -0.17 0.44 1.51 0.04 0.00 0.00 177.00 178.86 1h7d n ILE 40 N 3.57 0.98 -2.67 0.56 0.00 -1.26 -4.76 119.36 115.79 1h7d n ILE 40 Ca 0.07 -0.71 -0.04 0.00 0.00 0.00 0.00 62.75 62.07 1h7d n ILE 40 Cb 0.47 -0.45 0.08 0.00 0.00 0.00 0.00 39.64 39.73 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 -2.68 -1.35 -2.72 9.51 7.94 -1.26 -5.06 117.00 121.38 1h7d n LEU 41 Ca -0.18 -2.12 -0.05 0.00 -1.11 0.00 0.00 56.01 52.56 1h7d n LEU 41 Cb 0.90 0.90 0.04 0.00 0.53 0.00 0.00 43.42 45.79 1h7d n LEU 41 CO 0.44 1.54 0.32 0.00 -1.11 0.00 0.00 177.39 178.58 1h7d n ALA 42 N 0.16 -2.58 0.00 1.96 0.00 -1.26 -4.76 120.51 114.02 1h7d n ALA 42 Ca -0.10 -0.70 0.00 0.00 0.00 0.00 0.00 53.44 52.64 1h7d n ALA 42 Cb 0.73 -2.24 0.00 0.00 0.00 0.00 0.00 19.45 17.94 1h7d n ALA 42 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1h7d n THR 43 N 2.30 0.00 0.00 0.00 -2.24 -1.26 -4.85 114.28 108.23 1h7d n THR 43 Ca 0.11 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.89 1h7d n THR 43 Cb 0.63 -0.73 0.00 0.00 -2.10 0.00 0.00 70.33 68.12 1h7d n THR 43 CO 0.00 0.00 0.00 1.67 -0.57 0.00 0.00 175.07 176.17 1h7d n GLN 44 N -2.48 0.00 -3.90 -0.78 -0.06 -1.26 -5.05 117.38 103.84 1h7d n GLN 44 Ca 0.00 0.00 -0.31 0.00 -2.00 0.00 0.00 57.00 54.69 1h7d n GLN 44 Cb 0.27 0.00 -0.13 0.00 -4.06 0.00 0.00 30.24 26.32 1h7d n GLN 44 CO 0.00 0.00 0.00 0.20 -0.20 0.00 0.00 177.06 177.06 1h7d s GLY 45 N -1.74 2.49 -0.05 1.69 0.00 -1.26 -4.93 107.32 103.52 1h7d s GLY 45 Ca 0.00 -3.31 -0.25 0.00 0.00 0.00 0.00 44.72 41.17 1h7d s GLY 45 CO 0.00 1.03 1.06 -0.56 0.00 0.00 0.00 173.10 174.63 1h7d h PRO 46 N 6.53 0.16 0.00 2.90 0.13 -1.97 -3.39 132.00 136.36 1h7d h PRO 46 Ca -0.06 -0.15 -0.03 0.00 -0.87 0.00 0.00 66.00 64.90 1h7d h PRO 46 Cb 0.89 0.04 -0.00 0.00 0.13 0.00 0.00 31.00 32.06 1h7d h PRO 46 CO 0.70 0.86 -0.32 1.15 -0.23 0.00 0.00 178.00 180.16 1h7d h THR 47 N -0.49 0.31 -1.92 1.56 2.02 -1.94 -3.49 112.91 108.95 1h7d h THR 47 Ca -0.02 -1.29 0.00 0.00 0.77 0.00 0.00 66.41 65.87 1h7d h THR 47 Cb 0.92 0.64 0.00 0.00 -1.74 0.00 0.00 68.15 67.97 1h7d h THR 47 CO 0.04 0.10 -0.48 0.00 0.37 0.00 0.00 175.52 175.55