#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 4.75 0.01 1.12 1.01 -1.26 -4.88 120.40 121.15 1h7d s VAL 2 Ca 0.00 0.99 0.00 0.00 0.00 0.00 0.00 61.98 62.97 1h7d s VAL 2 Cb 0.00 -3.77 0.00 0.00 0.00 0.00 0.00 36.38 32.61 1h7d s VAL 2 CO 0.00 0.21 0.00 0.00 0.00 0.00 0.00 175.10 175.31 1h7d n ALA 3 N 0.72 -2.00 -3.19 5.51 0.00 -1.26 -5.04 120.51 115.26 1h7d n ALA 3 Ca -0.04 0.01 -0.09 0.00 0.00 0.00 0.00 53.44 53.32 1h7d n ALA 3 Cb 0.52 -0.52 -0.04 0.00 0.00 0.00 0.00 19.45 19.41 1h7d n ALA 3 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1h7d s ALA 4 N -1.69 -1.24 0.09 0.00 0.00 -1.26 -5.03 121.76 112.62 1h7d s ALA 4 Ca 0.00 -0.62 -0.31 0.00 0.00 0.00 0.00 51.96 51.03 1h7d s ALA 4 Cb 0.00 -2.37 -0.14 0.00 0.00 0.00 0.00 23.12 20.61 1h7d s ALA 4 CO 0.00 -2.18 1.49 0.00 0.00 0.00 0.00 175.76 175.07 1h7d h ALA 5 N 6.47 -1.00 -5.60 0.00 0.00 -2.03 -3.47 119.26 113.64 1h7d h ALA 5 Ca 0.07 -0.12 -0.09 0.00 0.00 0.00 0.00 54.91 54.78 1h7d h ALA 5 Cb 1.09 0.80 0.00 0.00 0.00 0.00 0.00 17.79 19.69 1h7d h ALA 5 CO 0.14 -1.09 -0.27 -1.33 0.00 0.00 0.00 179.25 176.71 1h7d n MET 6 N -5.13 -1.51 0.07 0.00 2.00 -1.26 -4.93 117.12 106.36 1h7d n MET 6 Ca -0.08 1.47 0.06 0.00 0.00 0.00 0.00 57.70 59.15 1h7d n MET 6 Cb 0.38 -5.13 -0.03 0.00 0.00 0.00 0.00 33.22 28.44 1h7d n MET 6 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 175.97 177.22 1h7d h LEU 7 N 0.60 0.00 -4.61 4.03 5.85 -2.02 -3.38 115.31 115.79 1h7d h LEU 7 Ca -0.11 0.00 -0.47 0.00 0.84 0.00 0.00 57.88 58.14 1h7d h LEU 7 Cb 1.07 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 42.07 1h7d h LEU 7 CO 0.29 0.27 1.80 0.18 -0.34 0.00 0.00 178.44 180.65 1h7d n LEU 8 N -2.80 7.14 -2.29 2.25 4.32 -1.26 -3.56 117.00 120.80 1h7d n LEU 8 Ca -0.04 -3.91 -0.02 0.00 -0.02 0.00 0.00 56.01 52.02 1h7d n LEU 8 Cb 0.69 -1.47 0.05 0.00 -1.62 0.00 0.00 43.42 41.07 1h7d n LEU 8 CO 0.41 1.90 0.49 -2.11 -1.22 0.00 0.00 177.39 176.86 1h7d n ARG 9 N 2.82 0.59 -2.61 3.23 1.85 -1.26 -5.00 116.66 116.29 1h7d n ARG 9 Ca 0.61 -0.77 -0.05 0.00 -1.00 0.00 0.00 57.85 56.64 1h7d n ARG 9 Cb 0.53 0.11 0.07 0.00 -1.05 0.00 0.00 32.46 32.13 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 -0.64 -1.50 -4.77 2.89 2.88 -1.23 -5.14 113.62 106.10 1h7d n SER 10 Ca -0.12 -2.10 -0.35 0.00 -1.33 0.00 0.00 58.87 54.97 1h7d n SER 10 Cb 0.69 0.91 0.02 0.00 -0.75 0.00 0.00 64.21 65.08 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 -3.40 -0.14 0.00 0.00 0.04 -1.26 -4.99 135.00 125.25 1h7d s PRO 12 Ca 0.73 -0.19 0.00 0.00 0.04 0.00 0.00 61.00 61.58 1h7d s PRO 12 Cb -0.25 -1.73 0.00 0.00 0.04 0.00 0.00 34.50 32.55 1h7d s PRO 12 CO 0.31 -2.97 0.00 1.55 0.04 0.00 0.00 177.00 175.92 1h7d n VAL 13 N -4.21 0.00 -2.89 -0.36 3.14 -1.26 -5.04 118.33 107.71 1h7d n VAL 13 Ca 0.13 0.00 -0.10 0.00 -2.96 0.00 0.00 64.34 61.42 1h7d n VAL 13 Cb 0.59 0.00 -0.01 0.00 -1.06 0.00 0.00 33.84 33.37 1h7d n VAL 13 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1h7d n LEU 14 N -1.88 -2.68 -3.27 6.55 -0.00 -1.26 -4.70 117.00 109.75 1h7d n LEU 14 Ca 0.00 -3.32 -0.23 0.00 -0.00 0.00 0.00 56.01 52.46 1h7d n LEU 14 Cb 0.00 0.73 -0.08 0.00 -0.00 0.00 0.00 43.42 44.07 1h7d n LEU 14 CO 0.00 1.94 -0.24 -0.94 -0.00 0.00 0.00 177.39 178.16 1h7d s SER 15 N 0.19 0.90 -0.47 1.45 1.04 -1.26 -4.90 113.70 110.64 1h7d s SER 15 Ca 0.31 -2.78 -0.01 0.00 0.48 0.00 0.00 55.95 53.95 1h7d s SER 15 Cb 0.05 0.02 0.00 0.00 0.10 0.00 0.00 66.02 66.19 1h7d s SER 15 CO -0.11 -0.15 0.40 1.67 0.98 0.00 0.00 173.24 176.02 1h7d n GLN 16 N 2.91 -2.66 0.00 4.02 0.00 -1.26 -4.94 117.38 115.45 1h7d n GLN 16 Ca 0.27 0.32 0.00 0.00 -0.00 0.00 0.00 57.00 57.59 1h7d n GLN 16 Cb 0.49 -3.78 0.00 0.00 0.00 0.00 0.00 30.24 26.95 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 -1.06 -0.65 0.07 1.69 0.00 -1.26 -4.90 105.19 99.08 1h7d n GLY 17 Ca -0.08 0.15 -0.14 0.00 0.00 0.00 0.00 46.02 45.96 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 0.01 -2.07 1.61 0.13 -1.92 -3.42 132.00 126.35 1h7d h PRO 18 Ca 0.00 -0.01 -0.45 0.00 -0.87 0.00 0.00 66.00 64.67 1h7d h PRO 18 Cb 0.00 0.00 -0.33 0.00 0.13 0.00 0.00 31.00 30.81 1h7d h PRO 18 CO 0.00 0.76 -0.79 0.95 -0.23 0.00 0.00 178.00 178.70 1h7d s THR 19 N -3.21 -0.12 -0.44 1.56 -4.23 -1.26 -4.52 115.64 103.42 1h7d s THR 19 Ca -0.17 -1.67 0.07 0.00 -1.18 0.00 0.00 61.69 58.74 1h7d s THR 19 Cb -0.01 -0.85 0.25 0.00 1.34 0.00 0.00 72.50 73.24 1h7d s THR 19 CO 0.69 -0.80 0.74 0.61 -0.54 0.00 0.00 174.62 175.32 1h7d n GLY 20 N 3.56 1.39 3.84 3.99 0.00 -1.26 -4.63 105.19 112.09 1h7d n GLY 20 Ca 0.19 -0.66 -0.30 0.00 0.00 0.00 0.00 46.02 45.25 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 1.44 -1.64 0.00 0.99 4.32 -1.26 -4.56 117.00 116.29 1h7d n LEU 21 Ca 0.15 -1.03 0.00 0.00 -0.02 0.00 0.00 56.01 55.11 1h7d n LEU 21 Cb 0.59 -1.70 0.00 0.00 -1.62 0.00 0.00 43.42 40.69 1h7d n LEU 21 CO 0.11 0.45 0.00 0.00 -1.22 0.00 0.00 177.39 176.73 1h7d n LEU 22 N -3.27 0.00 0.16 2.23 -0.00 -1.26 -4.93 117.00 109.92 1h7d n LEU 22 Ca -0.25 0.00 0.12 0.00 -0.00 0.00 0.00 56.01 55.88 1h7d n LEU 22 Cb 0.65 0.00 0.24 0.00 -0.00 0.00 0.00 43.42 44.32 1h7d n LEU 22 CO 0.66 0.00 0.74 1.23 -0.00 0.00 0.00 177.39 180.03 1h7d h GLY 23 N 0.00 0.00 2.00 1.47 0.00 -1.80 -1.84 103.07 102.90 1h7d h GLY 23 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1h7d h GLY 23 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 176.54 177.71 1h7d n LYS 24 N -2.68 0.25 -0.00 4.80 3.00 -1.26 -1.36 118.16 120.91 1h7d n LYS 24 Ca 0.04 0.26 0.04 0.00 -0.00 0.00 0.00 58.31 58.65 1h7d n LYS 24 Cb 0.49 -1.83 -0.05 0.00 0.00 0.00 0.00 35.03 33.65 1h7d n LYS 24 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 1h7d n VAL 25 N -2.27 0.00 -2.48 3.15 0.31 -1.16 -3.91 118.33 111.98 1h7d n VAL 25 Ca 0.05 -0.30 -0.16 0.00 -0.01 0.00 0.00 64.34 63.92 1h7d n VAL 25 Cb 0.39 0.89 0.02 0.00 -0.91 0.00 0.00 33.84 34.23 1h7d n VAL 25 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1h7d n ALA 26 N -1.28 4.08 0.00 3.52 0.00 -0.70 -4.66 120.51 121.47 1h7d n ALA 26 Ca 0.01 -3.52 0.00 0.00 0.00 0.00 0.00 53.44 49.93 1h7d n ALA 26 Cb 0.13 -0.65 0.00 0.00 0.00 0.00 0.00 19.45 18.93 1h7d n ALA 26 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1h7d n LYS 27 N -0.49 0.00 -0.12 0.00 4.81 -0.47 -4.79 118.16 117.10 1h7d n LYS 27 Ca 0.26 0.00 -0.10 0.00 -0.87 0.00 0.00 58.31 57.60 1h7d n LYS 27 Cb 0.82 0.00 -0.02 0.00 0.02 0.00 0.00 35.03 35.85 1h7d n LYS 27 CO 0.00 0.00 0.00 1.15 1.17 0.00 0.00 177.40 179.72 1h7d h THR 28 N 0.00 1.22 -0.44 3.15 2.02 -1.66 -2.85 112.91 114.35 1h7d h THR 28 Ca 0.00 -0.76 -0.09 0.00 0.77 0.00 0.00 66.41 66.33 1h7d h THR 28 Cb 0.00 1.02 -0.02 0.00 -1.74 0.00 0.00 68.15 67.42 1h7d h THR 28 CO 0.00 0.26 -0.08 0.22 0.37 0.00 0.00 175.52 176.29 1h7d h TYR 29 N 0.44 0.84 0.00 3.16 5.03 -1.83 0.13 116.97 124.74 1h7d h TYR 29 Ca 0.11 -0.14 0.00 0.00 2.58 0.00 0.00 58.73 61.28 1h7d h TYR 29 Cb 0.30 -0.22 0.00 0.00 1.55 0.00 0.00 36.73 38.36 1h7d h TYR 29 CO 0.02 0.82 0.17 0.37 -1.32 0.00 0.00 178.16 178.21 1h7d h GLN 30 N 0.71 0.00 0.00 1.82 4.15 -1.86 0.41 115.11 120.34 1h7d h GLN 30 Ca 0.13 0.00 -0.12 0.00 0.77 0.00 0.00 58.65 59.42 1h7d h GLN 30 Cb 0.54 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 28.21 1h7d h GLN 30 CO 0.03 0.00 -1.68 0.34 -1.93 0.00 0.00 178.83 175.60 1h7d n PHE 31 N -2.63 0.00 -1.01 3.99 -0.00 -0.76 -4.43 117.46 112.61 1h7d n PHE 31 Ca -0.02 0.00 -0.05 0.00 -0.00 0.00 0.00 57.45 57.38 1h7d n PHE 31 Cb 0.21 -0.44 0.31 0.00 -0.00 0.00 0.00 39.48 39.56 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 -2.22 6.12 -0.09 -2.13 4.77 -0.00 -4.15 117.00 119.29 1h7d n LEU 32 Ca -0.12 -3.18 -0.13 0.00 -0.03 0.00 0.00 56.01 52.55 1h7d n LEU 32 Cb 0.65 -0.75 -0.14 0.00 -2.33 0.00 0.00 43.42 40.85 1h7d n LEU 32 CO 0.24 0.79 -1.12 0.33 -1.33 0.00 0.00 177.39 176.30 1h7d n PHE 33 N -0.08 0.19 0.33 -1.77 7.35 0.12 -4.27 117.46 119.34 1h7d n PHE 33 Ca 0.40 0.06 -0.14 0.00 -0.76 0.00 0.00 57.45 57.02 1h7d n PHE 33 Cb 1.39 -1.03 -0.06 0.00 0.35 0.00 0.00 39.48 40.12 1h7d n PHE 33 CO 0.00 0.00 0.00 0.66 -0.76 0.00 0.00 176.76 176.66 1h7d h SER 34 N 0.00 -0.74 0.00 -2.13 4.64 -1.83 -3.39 113.55 110.11 1h7d h SER 34 Ca -0.52 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 60.82 1h7d h SER 34 Cb 2.11 0.19 0.00 0.00 -0.31 0.00 0.00 62.40 64.39 1h7d h SER 34 CO 0.00 -0.35 0.00 2.30 -0.87 0.00 0.00 176.83 177.91 1h7d n ILE 35 N -5.36 0.00 -1.83 0.95 -5.35 -1.26 -4.74 119.36 101.77 1h7d n ILE 35 Ca -0.11 0.36 0.00 0.00 -0.27 0.00 0.00 62.75 62.73 1h7d n ILE 35 Cb 0.35 -0.99 0.00 0.00 -1.74 0.00 0.00 39.64 37.26 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 0.00 2.51 0.91 3.28 0.00 -1.26 -4.66 105.19 105.96 1h7d n GLY 36 Ca 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 45.78 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 14.00 0.00 -0.30 1.61 5.12 -1.26 -4.93 116.66 130.90 1h7d n ARG 37 Ca 0.00 0.00 -0.03 0.00 -1.93 0.00 0.00 57.85 55.89 1h7d n ARG 37 Cb 0.00 -0.07 0.02 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 n PRO 39 N -5.45 -0.28 -4.13 0.00 -0.04 -1.26 -4.32 135.00 119.52 1h7d n PRO 39 Ca 0.07 0.00 -0.31 0.00 -0.04 0.00 0.00 63.50 63.23 1h7d n PRO 39 Cb 0.38 0.00 -0.04 0.00 -0.04 0.00 0.00 33.50 33.80 1h7d n PRO 39 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 1h7d n ILE 40 N -1.95 -1.92 0.10 0.52 2.08 -1.26 -4.69 119.36 112.25 1h7d n ILE 40 Ca 0.00 -0.30 0.00 0.00 0.56 0.00 0.00 62.75 63.01 1h7d n ILE 40 Cb 0.00 -1.99 0.00 0.00 -0.75 0.00 0.00 39.64 36.90 1h7d n ILE 40 CO 0.00 0.00 0.00 -0.11 0.56 0.00 0.00 176.55 177.00 1h7d n LEU 41 N -4.41 -1.07 -2.67 1.39 7.94 -1.26 -5.06 117.00 111.85 1h7d n LEU 41 Ca -0.16 0.38 -0.05 0.00 -1.11 0.00 0.00 56.01 55.08 1h7d n LEU 41 Cb 0.61 1.16 0.07 0.00 0.53 0.00 0.00 43.42 45.79 1h7d n LEU 41 CO 0.81 -0.41 0.55 0.00 -1.11 0.00 0.00 177.39 177.23 1h7d n ALA 42 N -3.05 -3.36 1.13 1.96 0.00 -1.26 -4.99 120.51 110.95 1h7d n ALA 42 Ca 0.00 -0.40 0.12 0.00 0.00 0.00 0.00 53.44 53.16 1h7d n ALA 42 Cb 0.00 -3.03 0.30 0.00 0.00 0.00 0.00 19.45 16.72 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 1.60 0.00 -2.69 0.00 5.66 -1.26 -4.40 114.28 113.19 1h7d n THR 43 Ca 0.03 -0.08 -0.06 0.00 -3.05 0.00 0.00 64.05 60.89 1h7d n THR 43 Cb 0.69 0.37 0.08 0.00 -1.55 0.00 0.00 70.33 69.92 1h7d n THR 43 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1h7d n GLN 44 N -1.00 0.84 -3.89 1.09 10.64 -1.26 -5.08 117.38 118.73 1h7d n GLN 44 Ca 0.09 -1.45 -0.30 0.00 -1.83 0.00 0.00 57.00 53.52 1h7d n GLN 44 Cb 0.34 -0.09 -0.14 0.00 -0.86 0.00 0.00 30.24 29.50 1h7d n GLN 44 CO 0.00 0.00 0.00 0.20 -1.83 0.00 0.00 177.06 175.43 1h7d s GLY 45 N -0.86 2.31 -0.03 2.61 0.00 -1.26 -5.09 107.32 105.01 1h7d s GLY 45 Ca 0.16 -3.17 -0.30 0.00 0.00 0.00 0.00 44.72 41.41 1h7d s GLY 45 CO -0.07 1.14 1.21 2.56 0.00 0.00 0.00 173.10 177.94 1h7d s PRO 46 N -0.26 4.37 -0.02 2.90 0.04 -1.26 -5.02 135.00 135.75 1h7d s PRO 46 Ca 0.18 1.71 0.01 0.00 0.04 0.00 0.00 61.00 62.94 1h7d s PRO 46 Cb -0.23 -3.51 0.01 0.00 0.04 0.00 0.00 34.50 30.80 1h7d s PRO 46 CO -0.02 -0.40 -0.03 0.95 0.04 0.00 0.00 177.00 177.54 1h7d s THR 47 N 1.95 0.34 -0.17 1.26 -4.23 -1.26 -4.98 115.64 108.55 1h7d s THR 47 Ca 0.57 -0.11 -0.08 0.00 -1.18 0.00 0.00 61.69 60.89 1h7d s THR 47 Cb -0.26 -0.34 0.03 0.00 1.34 0.00 0.00 72.50 73.27 1h7d s THR 47 CO 0.24 0.13 0.16 0.00 -0.54 0.00 0.00 174.62 174.61