#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n5g h LEU 2 N 0.00 0.00 -0.34 5.67 4.07 -2.03 -1.82 115.31 120.85 1n5g h LEU 2 Ca 0.00 0.00 -0.17 0.00 0.08 0.00 0.00 57.88 57.79 1n5g h LEU 2 Cb 0.00 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 41.72 1n5g h LEU 2 CO 0.00 0.17 -0.83 -0.29 -1.08 0.00 0.00 178.44 176.42 1n5g h ILE 3 N 0.00 1.59 0.25 1.22 6.09 -2.05 -3.29 117.51 121.33 1n5g h ILE 3 Ca -0.00 -2.83 -0.01 0.00 -1.37 0.00 0.00 64.86 60.64 1n5g h ILE 3 Cb 0.59 2.53 0.00 0.00 0.47 0.00 0.00 36.82 40.41 1n5g h ILE 3 CO 0.02 0.81 -0.12 0.00 -3.07 0.00 0.00 178.15 175.79 1n5g n GLU 5 N -5.01 0.00 0.33 0.00 0.28 -0.70 -1.41 120.64 114.13 1n5g n GLU 5 Ca -0.07 0.52 -0.13 0.00 -0.16 0.00 0.00 57.16 57.31 1n5g n GLU 5 Cb 0.25 -1.46 -0.06 0.00 1.43 0.00 0.00 31.44 31.60 1n5g n GLU 5 CO 0.00 0.00 0.00 1.49 -0.16 0.00 0.00 177.13 178.46 1n5g h GLU 6 N 0.00 -0.81 0.20 3.44 4.57 -1.83 -3.16 114.58 116.99 1n5g h GLU 6 Ca 0.00 0.06 -0.01 0.00 -1.18 0.00 0.00 59.36 58.23 1n5g h GLU 6 Cb 0.00 0.19 0.00 0.00 -0.16 0.00 0.00 28.75 28.78 1n5g h GLU 6 CO 0.00 -0.54 -0.10 -1.00 -1.18 0.00 0.00 179.01 176.19 1n5g h PRO 7 N -0.86 -0.26 -0.18 0.92 0.13 -1.78 -3.28 132.00 126.69 1n5g h PRO 7 Ca -0.09 0.02 -0.17 0.00 -0.87 0.00 0.00 66.00 64.89 1n5g h PRO 7 Cb 0.65 0.06 -0.00 0.00 0.13 0.00 0.00 31.00 31.83 1n5g h PRO 7 CO 0.14 0.11 -0.60 1.15 -0.23 0.00 0.00 178.00 178.57 1n5g h THR 8 N -0.92 1.32 0.00 1.56 2.02 -1.67 -3.02 112.91 112.21 1n5g h THR 8 Ca -0.03 -1.87 -0.05 0.00 0.77 0.00 0.00 66.41 65.23 1n5g h THR 8 Cb 0.49 1.84 -0.01 0.00 -1.74 0.00 0.00 68.15 68.73 1n5g h THR 8 CO 0.05 0.58 -0.26 0.00 0.37 0.00 0.00 175.52 176.26 1n5g h ARG 10 N 0.00 0.35 0.00 0.00 2.43 -1.60 0.17 114.38 115.73 1n5g h ARG 10 Ca -0.00 -0.09 -0.08 0.00 -0.81 0.00 0.00 59.98 59.00 1n5g h ARG 10 Cb 0.54 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 30.03 1n5g h ARG 10 CO 0.03 0.47 -0.37 -0.91 -1.51 0.00 0.00 179.97 177.69 1n5g h ASN 11 N 0.17 0.00 0.76 -3.80 2.35 -1.50 -1.31 115.58 112.24 1n5g h ASN 11 Ca 0.07 0.00 -0.11 0.00 -0.55 0.00 0.00 56.30 55.71 1n5g h ASN 11 Cb 0.28 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.63 1n5g h ASN 11 CO 0.00 0.37 -0.52 -0.09 -1.65 0.00 0.00 177.43 175.54 1n5g h ARG 12 N 0.00 0.00 -0.16 0.81 2.43 -1.03 -2.16 114.38 114.28 1n5g h ARG 12 Ca -0.00 0.00 0.01 0.00 -0.81 0.00 0.00 59.98 59.18 1n5g h ARG 12 Cb 0.73 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.27 1n5g h ARG 12 CO 0.05 0.52 0.11 1.15 -1.51 0.00 0.00 179.97 180.29 1n5g h THR 13 N 0.00 1.01 -0.15 0.20 2.02 0.23 -2.42 112.91 113.81 1n5g h THR 13 Ca -0.01 -0.05 -0.08 0.00 0.77 0.00 0.00 66.41 67.04 1n5g h THR 13 Cb 1.04 0.84 -0.01 0.00 -1.74 0.00 0.00 68.15 68.27 1n5g h THR 13 CO 0.07 0.03 -0.25 0.03 0.37 0.00 0.00 175.52 175.76 1n5g h ARG 14 N 0.16 0.26 -1.13 6.66 -0.00 -1.08 -2.72 114.38 116.52 1n5g h ARG 14 Ca 0.06 -0.09 0.32 0.00 -0.50 0.00 0.00 59.98 59.77 1n5g h ARG 14 Cb 0.07 -0.02 -0.08 0.00 0.00 0.00 0.00 29.97 29.94 1n5g h ARG 14 CO -0.01 0.50 0.76 0.45 0.00 0.00 0.00 179.97 181.68 1n5g h HIS 15 N 0.24 0.39 -0.23 3.04 3.86 -0.86 -3.35 115.15 118.23 1n5g h HIS 15 Ca 0.04 0.01 0.03 0.00 -1.16 0.00 0.00 60.37 59.29 1n5g h HIS 15 Cb 0.58 -0.11 -0.03 0.00 1.06 0.00 0.00 27.41 28.91 1n5g h HIS 15 CO 0.01 0.01 0.03 1.25 0.86 0.00 0.00 177.93 180.09 1n5g h LEU 16 N 0.21 -0.01 -0.03 2.43 5.85 -1.51 -0.41 115.31 121.84 1n5g h LEU 16 Ca 0.61 0.04 0.00 0.00 0.84 0.00 0.00 57.88 59.37 1n5g h LEU 16 Cb 1.92 0.06 -0.01 0.00 0.37 0.00 0.00 40.66 43.00 1n5g h LEU 16 CO -0.19 0.02 -0.06 -0.65 -0.34 0.00 0.00 178.44 177.22 1n5g h PRO 17 N 0.12 -0.04 -0.85 5.25 0.10 -1.78 -2.67 132.00 132.13 1n5g h PRO 17 Ca 0.10 0.00 0.21 0.00 0.10 0.00 0.00 66.00 66.42 1n5g h PRO 17 Cb 0.11 0.01 -0.14 0.00 0.10 0.00 0.00 31.00 31.08 1n5g h PRO 17 CO -0.15 -0.03 0.10 1.37 0.10 0.00 0.00 178.00 179.40 1n5g h LEU 18 N -0.04 -0.23 0.50 2.35 8.10 -1.78 -3.47 115.31 120.73 1n5g h LEU 18 Ca 0.01 0.21 -0.16 0.00 0.11 0.00 0.00 57.88 58.05 1n5g h LEU 18 Cb 0.06 0.34 -0.06 0.00 -0.44 0.00 0.00 40.66 40.56 1n5g h LEU 18 CO -0.06 -0.20 -0.15 1.67 -4.11 0.00 0.00 178.44 175.60 1n5g n GLN 19 N -5.32 -1.67 0.00 0.17 7.27 -0.17 -4.88 117.38 112.77 1n5g n GLN 19 Ca 0.18 0.65 0.13 0.00 0.07 0.00 0.00 57.00 58.04 1n5g n GLN 19 Cb 0.61 -4.80 0.35 0.00 2.41 0.00 0.00 30.24 28.81 1n5g n GLN 19 CO 0.00 0.00 0.00 1.97 0.07 0.00 0.00 177.06 179.10 1n5g n PHE 20 N -1.77 0.00 -1.37 3.69 1.16 -1.26 -3.92 117.46 113.99 1n5g n PHE 20 Ca -0.08 0.00 -0.29 0.00 -1.87 0.00 0.00 57.45 55.21 1n5g n PHE 20 Cb 0.45 -0.06 0.11 0.00 -1.61 0.00 0.00 39.48 38.37 1n5g n PHE 20 CO 0.00 0.00 0.00 0.45 -1.87 0.00 0.00 176.76 175.34 1n5g n SER 21 N -0.17 5.95 0.30 5.98 2.88 -1.26 -4.81 113.62 122.49 1n5g n SER 21 Ca 0.14 -3.74 0.17 0.00 -1.33 0.00 0.00 58.87 54.11 1n5g n SER 21 Cb 0.39 -0.86 0.94 0.00 -0.75 0.00 0.00 64.21 63.92 1n5g n SER 21 CO 0.00 0.00 0.00 0.08 -1.23 0.00 0.00 175.04 173.89 1n5g h ARG 22 N 1.65 0.00 0.00 -1.46 -0.00 -1.94 -3.29 114.38 109.34 1n5g h ARG 22 Ca 0.57 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 60.55 1n5g h ARG 22 Cb 1.53 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 31.50 1n5g h ARG 22 CO 1.30 0.04 -0.01 0.25 -0.00 0.00 0.00 179.97 181.55 1n5g n THR 23 N -3.49 0.02 -2.39 0.08 -2.24 -1.26 -5.10 114.28 99.90 1n5g n THR 23 Ca -0.02 0.50 -0.02 0.00 -2.27 0.00 0.00 64.05 62.23 1n5g n THR 23 Cb 0.14 -1.51 0.00 0.00 -2.10 0.00 0.00 70.33 66.86 1n5g n THR 23 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1n5g n GLY 24 N 1.70 -2.68 3.58 3.38 0.00 -1.24 -4.88 105.19 105.05 1n5g n GLY 24 Ca -0.00 0.52 -0.33 0.00 0.00 0.00 0.00 46.02 46.20 1n5g n GLY 24 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1n5g s PRO 25 N -1.58 3.02 0.00 1.61 0.04 -1.26 -3.96 135.00 132.88 1n5g s PRO 25 Ca 0.08 -1.37 0.00 0.00 0.04 0.00 0.00 61.00 59.75 1n5g s PRO 25 Cb -0.02 -5.33 0.00 0.00 0.04 0.00 0.00 34.50 29.19 1n5g s PRO 25 CO 0.55 -3.32 0.00 1.28 0.04 0.00 0.00 177.00 175.55 1n5g n LEU 26 N 12.21 0.00 -4.40 -3.56 4.32 -1.26 -5.16 117.00 119.14 1n5g n LEU 26 Ca 0.45 0.00 -0.20 0.00 -0.02 0.00 0.00 56.01 56.24 1n5g n LEU 26 Cb 0.47 0.00 -0.10 0.00 -1.62 0.00 0.00 43.42 42.16 1n5g n LEU 26 CO 0.70 -0.09 -0.41 0.00 -1.22 0.00 0.00 177.39 176.37 1n5g n PRO 28 N -0.50 2.69 -4.06 0.00 -0.04 -1.26 -4.40 135.00 127.43 1n5g n PRO 28 Ca -0.06 -2.98 -0.31 0.00 -0.04 0.00 0.00 63.50 60.10 1n5g n PRO 28 Cb 0.62 -3.54 -0.01 0.00 -0.04 0.00 0.00 33.50 30.53 1n5g n PRO 28 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1n5g n ALA 29 N 9.88 -1.50 0.92 0.55 0.00 -1.26 -4.87 120.51 124.23 1n5g n ALA 29 Ca 0.48 -0.04 0.11 0.00 0.00 0.00 0.00 53.44 53.99 1n5g n ALA 29 Cb 0.46 -3.10 0.52 0.00 0.00 0.00 0.00 19.45 17.33 1n5g n ALA 29 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1n5g h MET 31 N 0.00 0.05 0.00 0.00 4.05 -1.90 -3.19 114.93 113.95 1n5g h MET 31 Ca 0.00 -0.05 0.00 0.00 -0.28 0.00 0.00 59.70 59.37 1n5g h MET 31 Cb 0.27 0.01 0.00 0.00 -0.80 0.00 0.00 31.60 31.08 1n5g h MET 31 CO 0.00 0.76 0.00 0.36 0.23 0.00 0.00 176.91 178.26 1n5g n LYS 32 N -4.69 0.07 0.10 0.39 2.85 -1.24 -2.57 118.16 113.09 1n5g n LYS 32 Ca -0.09 0.22 -0.23 0.00 -1.05 0.00 0.00 58.31 57.15 1n5g n LYS 32 Cb 0.38 -1.50 -0.15 0.00 -0.65 0.00 0.00 35.03 33.11 1n5g n LYS 32 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1n5g h ALA 33 N 2.23 0.03 -1.03 0.58 0.00 -1.71 -3.26 119.26 116.10 1n5g h ALA 33 Ca 0.00 -1.02 0.28 0.00 0.00 0.00 0.00 54.91 54.16 1n5g h ALA 33 Cb 0.04 0.33 -0.13 0.00 0.00 0.00 0.00 17.79 18.04 1n5g h ALA 33 CO 0.00 0.90 0.61 1.15 0.00 0.00 0.00 179.25 181.91 1n5g h THR 34 N 0.12 0.45 -0.95 0.00 2.02 -1.48 -2.35 112.91 110.72 1n5g h THR 34 Ca -0.30 -0.16 0.10 0.00 0.77 0.00 0.00 66.41 66.82 1n5g h THR 34 Cb 2.13 -0.05 -0.07 0.00 -1.74 0.00 0.00 68.15 68.42 1n5g h THR 34 CO 0.22 0.08 0.61 -0.07 0.37 0.00 0.00 175.52 176.73 1n5g h LEU 35 N 0.46 0.89 0.25 2.58 4.07 -1.60 -2.41 115.31 119.55 1n5g h LEU 35 Ca 0.67 0.03 -0.01 0.00 0.08 0.00 0.00 57.88 58.64 1n5g h LEU 35 Cb 1.46 -0.16 0.00 0.00 1.08 0.00 0.00 40.66 43.04 1n5g h LEU 35 CO -0.48 0.52 -0.12 1.56 -1.08 0.00 0.00 178.44 178.84 1n5g h GLN 36 N 0.98 -0.33 -0.14 1.13 4.20 -1.55 -0.44 115.11 118.96 1n5g h GLN 36 Ca 0.44 0.02 0.04 0.00 0.06 0.00 0.00 58.65 59.21 1n5g h GLN 36 Cb 0.38 0.07 -0.01 0.00 0.30 0.00 0.00 27.48 28.23 1n5g h GLN 36 CO -0.20 -0.13 0.15 -1.00 -0.67 0.00 0.00 178.83 176.98 1n5g h PRO 37 N -0.47 0.00 -0.03 1.46 0.13 -1.72 -3.54 132.00 127.84 1n5g h PRO 37 Ca -0.03 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.10 1n5g h PRO 37 Cb 0.35 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.48 1n5g h PRO 37 CO 0.06 0.00 0.00 -0.85 -0.23 0.00 0.00 178.00 176.98