#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 -0.28 -0.22 2.03 3.14 -1.26 -4.69 118.33 117.05 1h7d n VAL 2 Ca 0.00 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.38 1h7d n VAL 2 Cb 0.00 -0.71 0.00 0.00 -1.06 0.00 0.00 33.84 32.07 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 0.00 0.10 1.55 0.00 -1.26 -5.11 120.51 112.98 1h7d n ALA 3 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.42 1h7d n ALA 3 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.97 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 -3.00 0.00 -2.68 0.00 0.00 -1.26 -5.02 120.51 108.54 1h7d n ALA 4 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.39 1h7d n ALA 4 Cb 0.00 0.00 0.08 0.00 0.00 0.00 0.00 19.45 19.53 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 -3.14 -1.64 -4.13 0.00 0.00 -1.26 -5.00 120.51 105.35 1h7d n ALA 5 Ca 0.00 -0.81 -0.42 0.00 0.00 0.00 0.00 53.44 52.21 1h7d n ALA 5 Cb 0.00 -1.77 -0.01 0.00 0.00 0.00 0.00 19.45 17.67 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 0.02 -0.41 -2.71 0.00 0.00 -1.26 -4.88 117.12 107.88 1h7d n MET 6 Ca -0.08 0.04 -0.04 0.00 0.00 0.00 0.00 57.70 57.63 1h7d n MET 6 Cb 0.73 -2.59 0.02 0.00 0.00 0.00 0.00 33.22 31.39 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 -4.81 -2.31 -0.01 4.03 4.77 -1.26 -5.06 117.00 112.35 1h7d n LEU 7 Ca -0.16 -1.80 -0.00 0.00 -0.03 0.00 0.00 56.01 54.02 1h7d n LEU 7 Cb 0.57 0.64 -0.00 0.00 -2.33 0.00 0.00 43.42 42.30 1h7d n LEU 7 CO 0.74 1.50 -0.01 -0.07 -1.33 0.00 0.00 177.39 178.23 1h7d h LEU 8 N 4.52 0.00 -3.90 2.23 4.07 -2.00 -3.48 115.31 116.75 1h7d h LEU 8 Ca 0.02 0.00 -0.05 0.00 0.08 0.00 0.00 57.88 57.93 1h7d h LEU 8 Cb 1.14 0.00 -0.05 0.00 1.08 0.00 0.00 40.66 42.83 1h7d h LEU 8 CO -0.06 0.09 0.02 -2.11 -1.08 0.00 0.00 178.44 175.30 1h7d n ARG 9 N -2.52 0.25 -1.08 1.13 1.85 -1.26 -5.00 116.66 110.04 1h7d n ARG 9 Ca -0.00 -0.40 -0.25 0.00 -1.00 0.00 0.00 57.85 56.20 1h7d n ARG 9 Cb 0.01 0.05 0.07 0.00 -1.05 0.00 0.00 32.46 31.54 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 -0.37 6.46 -3.12 2.89 2.88 -1.26 -4.42 113.62 116.68 1h7d n SER 10 Ca -0.11 -3.39 -0.20 0.00 -1.33 0.00 0.00 58.87 53.84 1h7d n SER 10 Cb 0.60 -0.97 -0.04 0.00 -0.75 0.00 0.00 64.21 63.05 1h7d n SER 10 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1h7d h PRO 12 N 3.69 -0.16 0.00 0.00 0.13 -2.04 -3.48 132.00 130.13 1h7d h PRO 12 Ca 0.04 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.18 1h7d h PRO 12 Cb 0.93 0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.10 1h7d h PRO 12 CO 0.44 -0.11 0.00 1.55 -0.23 0.00 0.00 178.00 179.65 1h7d n VAL 13 N -3.49 0.00 0.00 1.56 3.14 -1.26 -5.02 118.33 113.27 1h7d n VAL 13 Ca -0.02 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.36 1h7d n VAL 13 Cb 0.07 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 32.85 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 -0.81 0.00 -3.95 6.55 -0.00 -1.26 -4.59 117.00 112.94 1h7d n LEU 14 Ca 0.00 0.00 -0.26 0.00 -0.00 0.00 0.00 56.01 55.75 1h7d n LEU 14 Cb 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 43.42 43.41 1h7d n LEU 14 CO 0.00 0.00 -0.19 -0.24 -0.00 0.00 0.00 177.39 176.96 1h7d n SER 15 N 1.91 -0.85 -2.62 1.96 2.88 -1.26 -4.85 113.62 110.80 1h7d n SER 15 Ca 0.00 -0.98 -0.05 0.00 -1.33 0.00 0.00 58.87 56.51 1h7d n SER 15 Cb 0.00 -3.16 0.08 0.00 -0.75 0.00 0.00 64.21 60.38 1h7d n SER 15 CO 0.00 0.00 0.00 1.67 -1.23 0.00 0.00 175.04 175.48 1h7d n GLN 16 N -4.40 0.89 0.00 -1.46 7.27 -1.26 -4.91 117.38 113.51 1h7d n GLN 16 Ca -0.26 -1.34 0.00 0.00 0.07 0.00 0.00 57.00 55.47 1h7d n GLN 16 Cb 0.66 0.03 0.00 0.00 2.41 0.00 0.00 30.24 33.35 1h7d n GLN 16 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1h7d n GLY 17 N -0.67 -0.27 0.09 1.69 0.00 -1.26 -4.93 105.19 99.84 1h7d n GLY 17 Ca -0.11 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.18 0.00 1.61 0.13 -2.01 -3.49 132.00 128.06 1h7d h PRO 18 Ca 0.00 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.14 1h7d h PRO 18 Cb 0.00 0.04 0.00 0.00 0.13 0.00 0.00 31.00 31.17 1h7d h PRO 18 CO 0.00 -0.12 0.00 2.41 -0.23 0.00 0.00 178.00 180.06 1h7d n THR 19 N -3.66 0.00 0.00 1.56 -1.04 -1.26 -5.14 114.28 104.73 1h7d n THR 19 Ca -0.02 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.99 1h7d n THR 19 Cb 0.07 -0.01 0.00 0.00 -1.82 0.00 0.00 70.33 68.57 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 -1.42 1.69 2.26 3.41 0.00 -1.26 -4.81 105.19 105.05 1h7d n GLY 20 Ca 0.00 -0.79 -0.31 0.00 0.00 0.00 0.00 46.02 44.91 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 0.00 7.45 0.06 0.99 -0.00 -1.26 -3.94 117.00 120.30 1h7d n LEU 21 Ca 0.00 -4.11 0.00 0.00 -0.00 0.00 0.00 56.01 51.90 1h7d n LEU 21 Cb 0.00 -1.00 0.00 0.00 -0.00 0.00 0.00 43.42 42.42 1h7d n LEU 21 CO 0.00 1.43 0.00 -0.11 -0.00 0.00 0.00 177.39 178.71 1h7d n LEU 22 N -0.63 0.06 0.32 1.47 0.00 -1.26 -4.79 117.00 112.17 1h7d n LEU 22 Ca 0.56 0.19 0.20 0.00 0.00 0.00 0.00 56.01 56.96 1h7d n LEU 22 Cb 0.63 0.11 1.10 0.00 0.00 0.00 0.00 43.42 45.26 1h7d n LEU 22 CO 0.70 -0.63 1.17 1.23 0.00 0.00 0.00 177.39 179.86 1h7d h GLY 23 N 0.00 0.00 2.00 -3.96 0.00 -1.82 1.54 103.07 100.83 1h7d h GLY 23 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.30 1h7d h GLY 23 CO 0.00 0.00 -0.15 0.50 0.00 0.00 0.00 176.54 176.89 1h7d h LYS 24 N 0.00 0.00 0.00 4.80 1.79 -1.88 -2.71 116.57 118.57 1h7d h LYS 24 Ca 0.00 0.00 -0.20 0.00 -2.18 0.00 0.00 60.65 58.28 1h7d h LYS 24 Cb 0.07 0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 30.68 1h7d h LYS 24 CO -0.00 0.15 -1.74 0.28 -1.08 0.00 0.00 179.45 177.06 1h7d n VAL 25 N -3.25 0.74 -2.43 0.50 0.31 0.11 -3.90 118.33 110.40 1h7d n VAL 25 Ca 0.01 -0.45 -0.37 0.00 -0.01 0.00 0.00 64.34 63.52 1h7d n VAL 25 Cb 0.43 -0.72 0.02 0.00 -0.91 0.00 0.00 33.84 32.65 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 -2.42 5.92 0.00 3.52 0.00 0.49 -3.86 120.51 124.16 1h7d n ALA 26 Ca -0.18 -4.43 0.00 0.00 0.00 0.00 0.00 53.44 48.83 1h7d n ALA 26 Cb 0.85 -1.74 0.00 0.00 0.00 0.00 0.00 19.45 18.56 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 -0.29 0.00 0.02 0.00 4.81 -1.02 -4.63 118.16 117.05 1h7d n LYS 27 Ca 0.46 0.00 -0.19 0.00 -0.87 0.00 0.00 58.31 57.71 1h7d n LYS 27 Cb 0.31 0.00 -0.09 0.00 0.02 0.00 0.00 35.03 35.27 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 1.28 -0.48 3.15 2.02 -1.67 -3.22 112.91 113.99 1h7d h THR 28 Ca 0.00 -2.17 -0.11 0.00 0.77 0.00 0.00 66.41 64.90 1h7d h THR 28 Cb 0.00 2.26 -0.02 0.00 -1.74 0.00 0.00 68.15 68.65 1h7d h THR 28 CO 0.00 0.68 -0.15 0.22 0.37 0.00 0.00 175.52 176.64 1h7d h TYR 29 N 0.43 1.03 0.00 3.16 3.20 -1.80 0.64 116.97 123.63 1h7d h TYR 29 Ca -0.10 -0.22 0.00 0.00 3.14 0.00 0.00 58.73 61.55 1h7d h TYR 29 Cb 1.60 -0.25 0.00 0.00 1.54 0.00 0.00 36.73 39.62 1h7d h TYR 29 CO 0.10 0.99 0.00 0.94 -1.64 0.00 0.00 178.16 178.55 1h7d n GLN 30 N -4.14 0.10 -0.07 1.82 7.27 -1.23 -1.09 117.38 120.04 1h7d n GLN 30 Ca 0.01 0.53 -0.15 0.00 0.07 0.00 0.00 57.00 57.46 1h7d n GLN 30 Cb 0.41 -1.78 -0.05 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 -1.99 0.00 -0.08 3.69 -0.00 -0.79 -4.54 117.46 113.76 1h7d n PHE 31 Ca -0.00 0.00 0.19 0.00 -0.00 0.00 0.00 57.45 57.64 1h7d n PHE 31 Cb 0.07 -0.53 0.63 0.00 -0.00 0.00 0.00 39.48 39.65 1h7d n PHE 31 CO 0.00 0.00 0.00 1.25 -0.00 0.00 0.00 176.76 178.01 1h7d h LEU 32 N -0.47 0.14 -1.61 -2.13 6.46 0.42 0.49 115.31 118.61 1h7d h LEU 32 Ca -0.37 0.01 0.29 0.00 -0.12 0.00 0.00 57.88 57.69 1h7d h LEU 32 Cb 1.35 -0.02 -0.04 0.00 -0.73 0.00 0.00 40.66 41.22 1h7d h LEU 32 CO -0.21 0.07 0.95 0.15 -0.62 0.00 0.00 178.44 178.79 1h7d h PHE 33 N 0.15 0.00 0.00 1.25 3.57 -1.33 0.47 116.94 121.05 1h7d h PHE 33 Ca 0.31 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.81 1h7d h PHE 33 Cb 1.02 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.76 1h7d h PHE 33 CO -0.00 0.00 0.00 -1.13 -2.23 0.00 0.00 178.31 174.95 1h7d n SER 34 N -3.63 0.00 -0.57 0.41 3.41 0.16 -3.79 113.62 109.62 1h7d n SER 34 Ca 0.21 0.00 0.46 0.00 -0.26 0.00 0.00 58.87 59.29 1h7d n SER 34 Cb 1.27 0.00 0.78 0.00 -0.26 0.00 0.00 64.21 66.00 1h7d n SER 34 CO 0.00 0.00 0.00 0.16 -0.16 0.00 0.00 175.04 175.04 1h7d h ILE 35 N 0.00 0.13 -6.12 -1.33 -0.00 -1.73 -3.45 117.51 105.02 1h7d h ILE 35 Ca 0.00 -0.01 -0.02 0.00 -0.00 0.00 0.00 64.86 64.84 1h7d h ILE 35 Cb 0.00 0.12 0.00 0.00 -0.00 0.00 0.00 36.82 36.94 1h7d h ILE 35 CO 0.00 0.00 -1.00 0.61 -0.00 0.00 0.00 178.15 177.76 1h7d n GLY 36 N -1.82 -0.89 3.00 0.16 0.00 0.16 -5.01 105.19 100.78 1h7d n GLY 36 Ca 0.38 0.16 0.03 0.00 0.00 0.00 0.00 46.02 46.59 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 -1.21 0.26 -0.42 1.61 3.00 -1.26 -5.07 118.95 115.86 1h7d s ARG 37 Ca 0.02 0.05 0.03 0.00 0.00 0.00 0.00 55.73 55.82 1h7d s ARG 37 Cb -0.00 0.06 0.26 0.00 0.00 0.00 0.00 34.95 35.27 1h7d s ARG 37 CO 0.20 -0.41 1.06 0.00 0.00 0.00 0.00 175.30 176.15 1h7d s PRO 39 N 0.42 3.22 -0.10 0.00 0.04 -1.26 -4.60 135.00 132.72 1h7d s PRO 39 Ca 0.28 -1.42 0.11 0.00 0.04 0.00 0.00 61.00 60.02 1h7d s PRO 39 Cb 0.23 -5.36 -0.24 0.00 0.04 0.00 0.00 34.50 29.17 1h7d s PRO 39 CO -0.17 -3.05 0.45 0.44 0.04 0.00 0.00 177.00 174.71 1h7d n ILE 40 N 7.15 1.57 0.08 0.56 -5.35 -1.26 -4.24 119.36 117.87 1h7d n ILE 40 Ca 0.45 -0.79 -0.13 0.00 -0.27 0.00 0.00 62.75 62.01 1h7d n ILE 40 Cb 0.47 -0.98 -0.07 0.00 -1.74 0.00 0.00 39.64 37.31 1h7d n ILE 40 CO 0.00 0.00 0.00 0.17 -1.76 0.00 0.00 176.55 174.96 1h7d h LEU 41 N 0.01 -0.11 -5.61 7.28 8.10 -2.07 -3.10 115.31 119.82 1h7d h LEU 41 Ca -0.38 0.01 -0.60 0.00 0.11 0.00 0.00 57.88 57.02 1h7d h LEU 41 Cb 2.07 0.03 0.01 0.00 -0.44 0.00 0.00 40.66 42.34 1h7d h LEU 41 CO 0.06 -0.07 3.09 0.00 -4.11 0.00 0.00 178.44 177.41 1h7d n ALA 42 N -2.16 5.61 0.01 0.17 0.00 -1.26 -4.38 120.51 118.51 1h7d n ALA 42 Ca -0.08 -3.17 -0.07 0.00 0.00 0.00 0.00 53.44 50.12 1h7d n ALA 42 Cb 0.08 -3.36 -0.13 0.00 0.00 0.00 0.00 19.45 16.04 1h7d n ALA 42 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1h7d h THR 43 N 3.61 1.15 -0.45 0.00 1.03 -1.79 -3.41 112.91 113.04 1h7d h THR 43 Ca 0.63 -2.93 -0.29 0.00 -0.01 0.00 0.00 66.41 63.81 1h7d h THR 43 Cb 0.40 2.56 -0.21 0.00 -1.07 0.00 0.00 68.15 69.83 1h7d h THR 43 CO 1.75 0.66 -0.61 0.00 -0.01 0.00 0.00 175.52 177.31 1h7d n GLN 44 N -3.15 1.00 -0.74 0.00 10.64 -1.26 -5.13 117.38 118.74 1h7d n GLN 44 Ca -0.10 -2.25 0.00 0.00 -1.83 0.00 0.00 57.00 52.82 1h7d n GLN 44 Cb 0.99 -1.19 0.00 0.00 -0.86 0.00 0.00 30.24 29.19 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 0.36 3.93 2.41 2.61 0.00 -1.26 -4.97 105.19 108.28 1h7d n GLY 45 Ca 0.10 -2.10 -0.25 0.00 0.00 0.00 0.00 46.02 43.77 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 -0.25 2.53 -4.95 1.61 -0.04 -1.26 -4.81 135.00 127.82 1h7d n PRO 46 Ca 0.00 -1.57 -0.28 0.00 -0.04 0.00 0.00 63.50 61.61 1h7d n PRO 46 Cb 0.00 -2.46 -0.16 0.00 -0.04 0.00 0.00 33.50 30.84 1h7d n PRO 46 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 1h7d s THR 47 N 2.61 1.63 -0.10 0.52 2.01 -1.26 -5.04 115.64 116.00 1h7d s THR 47 Ca 0.52 -0.80 -0.05 0.00 0.31 0.00 0.00 61.69 61.67 1h7d s THR 47 Cb 0.16 -1.41 -0.02 0.00 0.01 0.00 0.00 72.50 71.24 1h7d s THR 47 CO -0.04 0.46 -0.10 0.00 -0.69 0.00 0.00 174.62 174.26