#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 -0.84 -0.14 5.67 4.07 -2.02 0.24 115.31 122.29 1n5g h LEU 2 Ca 0.00 0.23 -0.19 0.00 0.08 0.00 0.00 57.88 58.00 1n5g h LEU 2 Cb 0.00 0.51 -0.03 0.00 1.08 0.00 0.00 40.66 42.22 1n5g h LEU 2 CO 0.00 -0.27 -0.92 -0.29 -1.08 0.00 0.00 178.44 175.89 1n5g h ILE 3 N -0.03 1.65 0.56 1.22 6.09 -2.06 -3.40 117.51 121.53 1n5g h ILE 3 Ca 0.34 -3.16 -0.03 0.00 -1.37 0.00 0.00 64.86 60.64 1n5g h ILE 3 Cb 0.56 2.71 0.01 0.00 0.47 0.00 0.00 36.82 40.57 1n5g h ILE 3 CO -0.78 0.90 -0.27 0.00 -3.07 0.00 0.00 178.15 174.93 1n5g n GLU 5 N -4.40 -0.10 0.03 0.00 0.28 -0.22 -3.59 120.64 112.65 1n5g n GLU 5 Ca -0.09 0.78 -0.10 0.00 -0.16 0.00 0.00 57.16 57.58 1n5g n GLU 5 Cb 0.30 -1.16 -0.04 0.00 1.43 0.00 0.00 31.44 31.97 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 -0.20 -0.00 3.44 4.57 -1.87 -3.20 114.58 117.32 1n5g h GLU 6 Ca 0.04 0.01 -0.00 0.00 -1.18 0.00 0.00 59.36 58.23 1n5g h GLU 6 Cb 0.09 0.04 0.00 0.00 -0.16 0.00 0.00 28.75 28.72 1n5g h GLU 6 CO -0.21 -0.13 -0.01 -1.00 -1.18 0.00 0.00 179.01 176.48 1n5g h PRO 7 N -0.20 0.01 0.10 0.92 0.13 -1.82 -3.41 132.00 127.73 1n5g h PRO 7 Ca 0.06 -0.01 -0.14 0.00 -0.87 0.00 0.00 66.00 65.04 1n5g h PRO 7 Cb 0.29 0.00 0.02 0.00 0.13 0.00 0.00 31.00 31.44 1n5g h PRO 7 CO -0.17 0.64 -0.62 1.15 -0.23 0.00 0.00 178.00 178.77 1n5g h THR 8 N -0.61 1.58 -0.14 1.56 2.02 -1.68 -3.36 112.91 112.27 1n5g h THR 8 Ca -0.00 -2.49 -0.11 0.00 0.77 0.00 0.00 66.41 64.59 1n5g h THR 8 Cb 0.64 3.24 -0.01 0.00 -1.74 0.00 0.00 68.15 70.29 1n5g h THR 8 CO 0.00 0.69 -0.38 0.00 0.37 0.00 0.00 175.52 176.20 1n5g h ARG 10 N 0.25 0.24 0.00 0.00 2.43 -1.78 -1.60 114.38 113.92 1n5g h ARG 10 Ca 0.03 -0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.15 1n5g h ARG 10 Cb 0.79 -0.05 -0.00 0.00 -0.42 0.00 0.00 29.97 30.28 1n5g h ARG 10 CO 0.06 0.16 -0.16 -0.91 -1.51 0.00 0.00 179.97 177.61 1n5g h ASN 11 N 0.25 0.00 -0.45 -3.80 2.35 -1.57 -1.68 115.58 110.68 1n5g h ASN 11 Ca 0.13 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.85 1n5g h ASN 11 Cb 0.09 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.43 1n5g h ASN 11 CO -0.12 0.16 0.18 0.08 -1.65 0.00 0.00 177.43 176.08 1n5g h ARG 12 N 0.00 0.73 -0.63 0.81 0.11 -1.29 -2.66 114.38 111.45 1n5g h ARG 12 Ca -0.00 -0.11 0.12 0.00 0.10 0.00 0.00 59.98 60.09 1n5g h ARG 12 Cb 0.44 -0.13 -0.04 0.00 1.11 0.00 0.00 29.97 31.35 1n5g h ARG 12 CO 0.02 0.62 0.43 1.15 0.10 0.00 0.00 179.97 182.29 1n5g h THR 13 N 0.72 0.83 -0.88 0.08 2.02 -0.29 0.15 112.91 115.55 1n5g h THR 13 Ca 0.17 -0.11 0.20 0.00 0.77 0.00 0.00 66.41 67.44 1n5g h THR 13 Cb 0.18 0.47 -0.06 0.00 -1.74 0.00 0.00 68.15 66.99 1n5g h THR 13 CO -0.01 0.06 0.59 0.03 0.37 0.00 0.00 175.52 176.56 1n5g h ARG 14 N 0.33 0.37 -0.99 6.66 -0.00 -1.54 -2.40 114.38 116.82 1n5g h ARG 14 Ca 0.30 -0.02 0.24 0.00 -0.50 0.00 0.00 59.98 60.00 1n5g h ARG 14 Cb 0.72 -0.08 -0.08 0.00 0.00 0.00 0.00 29.97 30.53 1n5g h ARG 14 CO -0.08 0.24 0.65 0.45 0.00 0.00 0.00 179.97 181.24 1n5g h HIS 15 N 0.38 0.52 -0.30 3.04 3.86 -0.79 -3.42 115.15 118.45 1n5g h HIS 15 Ca 0.46 0.02 0.07 0.00 -1.16 0.00 0.00 60.37 59.75 1n5g h HIS 15 Cb 1.17 -0.16 -0.08 0.00 1.06 0.00 0.00 27.41 29.40 1n5g h HIS 15 CO -0.00 0.09 -0.24 1.25 0.86 0.00 0.00 177.93 179.88 1n5g h LEU 16 N 0.35 -0.80 -0.78 2.43 6.46 -1.52 0.17 115.31 121.63 1n5g h LEU 16 Ca 0.53 0.15 0.18 0.00 -0.12 0.00 0.00 57.88 58.62 1n5g h LEU 16 Cb 1.43 0.39 -0.12 0.00 -0.73 0.00 0.00 40.66 41.62 1n5g h LEU 16 CO -0.21 -0.27 0.15 -0.65 -0.62 0.00 0.00 178.44 176.84 1n5g h PRO 17 N -0.22 0.21 -0.35 5.25 0.11 -1.82 -3.09 132.00 132.08 1n5g h PRO 17 Ca 0.16 -0.01 0.04 0.00 0.11 0.00 0.00 66.00 66.29 1n5g h PRO 17 Cb 0.46 -0.05 -0.04 0.00 0.11 0.00 0.00 31.00 31.49 1n5g h PRO 17 CO -0.43 0.14 0.14 1.37 -0.21 0.00 0.00 178.00 179.00 1n5g h LEU 18 N 0.21 0.17 -2.45 2.35 8.10 -1.25 -3.50 115.31 118.94 1n5g h LEU 18 Ca 0.45 0.03 -0.13 0.00 0.11 0.00 0.00 57.88 58.34 1n5g h LEU 18 Cb 0.82 0.01 0.09 0.00 -0.44 0.00 0.00 40.66 41.14 1n5g h LEU 18 CO -0.59 0.13 -0.39 1.67 -4.11 0.00 0.00 178.44 175.15 1n5g n GLN 19 N -5.00 -1.73 0.00 0.17 7.27 -1.05 -5.01 117.38 112.04 1n5g n GLN 19 Ca 0.01 0.41 0.00 0.00 0.07 0.00 0.00 57.00 57.49 1n5g n GLN 19 Cb 0.11 -3.73 0.00 0.00 2.41 0.00 0.00 30.24 29.04 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 -2.37 0.00 -2.31 3.69 -1.74 -1.26 -4.87 117.46 108.59 1n5g n PHE 20 Ca -0.07 0.00 -0.29 0.00 -0.56 0.00 0.00 57.45 56.53 1n5g n PHE 20 Cb 0.56 0.00 0.01 0.00 1.52 0.00 0.00 39.48 41.57 1n5g n PHE 20 CO 0.00 0.00 0.00 0.45 -0.56 0.00 0.00 176.76 176.65 1n5g n SER 21 N -1.86 5.26 0.12 5.98 2.88 -1.26 -4.84 113.62 119.90 1n5g n SER 21 Ca 0.00 -3.74 -0.05 0.00 -1.33 0.00 0.00 58.87 53.74 1n5g n SER 21 Cb 0.41 -0.56 -0.03 0.00 -0.75 0.00 0.00 64.21 63.29 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 2.59 -0.31 -0.00 -1.46 -0.00 -1.94 -3.31 114.38 109.95 1n5g h ARG 22 Ca 0.36 0.02 0.00 0.00 -0.00 0.00 0.00 59.98 60.36 1n5g h ARG 22 Cb 0.84 0.07 0.00 0.00 -0.00 0.00 0.00 29.97 30.88 1n5g h ARG 22 CO 0.95 -0.21 -0.19 0.25 -0.00 0.00 0.00 179.97 180.77 1n5g n THR 23 N -3.01 0.00 -2.71 0.08 -2.24 -1.26 -4.93 114.28 100.21 1n5g n THR 23 Ca -0.04 -0.01 -0.04 0.00 -2.27 0.00 0.00 64.05 61.69 1n5g n THR 23 Cb 0.13 -0.18 -0.03 0.00 -2.10 0.00 0.00 70.33 68.15 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 1.47 -4.26 0.20 3.38 0.00 -1.25 -3.52 105.19 101.21 1n5g n GLY 24 Ca 0.08 1.27 0.06 0.00 0.00 0.00 0.00 46.02 47.42 1n5g n GLY 24 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1n5g h PRO 25 N 4.01 0.00 0.00 1.61 0.13 -1.94 -3.06 132.00 132.75 1n5g h PRO 25 Ca -0.37 0.00 -0.37 0.00 -0.87 0.00 0.00 66.00 64.39 1n5g h PRO 25 Cb 0.87 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 31.93 1n5g h PRO 25 CO 0.03 0.00 -2.40 1.28 -0.23 0.00 0.00 178.00 176.67 1n5g n LEU 26 N -2.12 1.72 -3.86 1.56 4.32 -1.26 -4.81 117.00 112.55 1n5g n LEU 26 Ca -0.01 -0.08 -0.29 0.00 -0.02 0.00 0.00 56.01 55.61 1n5g n LEU 26 Cb 0.49 -0.31 -0.13 0.00 -1.62 0.00 0.00 43.42 41.85 1n5g n LEU 26 CO 0.05 0.74 -0.18 0.00 -1.22 0.00 0.00 177.39 176.78 1n5g s PRO 28 N -0.32 2.44 -0.17 0.00 0.02 -1.25 -3.63 135.00 132.08 1n5g s PRO 28 Ca 0.19 0.20 -0.01 0.00 0.02 0.00 0.00 61.00 61.40 1n5g s PRO 28 Cb -0.21 -4.78 -0.01 0.00 0.02 0.00 0.00 34.50 29.52 1n5g s PRO 28 CO -0.03 -3.29 0.15 0.00 -0.33 0.00 0.00 177.00 173.50 1n5g n ALA 29 N 14.26 -0.77 0.25 -1.55 0.00 -1.23 -5.05 120.51 126.42 1n5g n ALA 29 Ca 0.34 0.02 0.05 0.00 0.00 0.00 0.00 53.44 53.85 1n5g n ALA 29 Cb 0.49 -1.31 -0.07 0.00 0.00 0.00 0.00 19.45 18.56 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 0.00 0.00 0.00 4.05 -1.91 -3.23 114.93 113.84 1n5g h MET 31 Ca 0.00 0.00 -0.19 0.00 -0.28 0.00 0.00 59.70 59.23 1n5g h MET 31 Cb 0.36 0.00 -0.03 0.00 -0.80 0.00 0.00 31.60 31.13 1n5g h MET 31 CO 0.00 0.00 -1.22 1.57 0.23 0.00 0.00 176.91 177.49 1n5g h LYS 32 N 0.00 0.00 -0.19 0.39 2.10 -1.97 -3.34 116.57 113.56 1n5g h LYS 32 Ca 0.00 0.00 -0.13 0.00 -2.00 0.00 0.00 60.65 58.52 1n5g h LYS 32 Cb 0.58 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.90 1n5g h LYS 32 CO 0.00 0.49 -0.43 0.00 -2.00 0.00 0.00 179.45 177.52 1n5g h ALA 33 N 1.28 0.91 -1.03 0.07 0.00 -1.88 -3.36 119.26 115.25 1n5g h ALA 33 Ca -0.13 -0.44 0.25 0.00 0.00 0.00 0.00 54.91 54.59 1n5g h ALA 33 Cb 1.67 -0.10 -0.11 0.00 0.00 0.00 0.00 17.79 19.25 1n5g h ALA 33 CO 0.07 0.64 0.64 1.15 0.00 0.00 0.00 179.25 181.75 1n5g h THR 34 N 0.37 0.54 -0.16 0.00 2.02 -1.69 -1.77 112.91 112.22 1n5g h THR 34 Ca 0.03 -0.17 0.02 0.00 0.77 0.00 0.00 66.41 67.06 1n5g h THR 34 Cb 0.90 0.01 -0.02 0.00 -1.74 0.00 0.00 68.15 67.30 1n5g h THR 34 CO 0.08 0.09 0.03 -0.07 0.37 0.00 0.00 175.52 176.02 1n5g h LEU 35 N 0.49 0.02 0.49 2.58 4.07 -1.79 -1.70 115.31 119.47 1n5g h LEU 35 Ca 0.61 0.02 -0.02 0.00 0.08 0.00 0.00 57.88 58.57 1n5g h LEU 35 Cb 1.37 0.03 0.00 0.00 1.08 0.00 0.00 40.66 43.14 1n5g h LEU 35 CO -0.37 0.03 -0.23 1.56 -1.08 0.00 0.00 178.44 178.35 1n5g h GLN 36 N 0.10 -0.63 -0.04 1.13 4.20 -1.53 -3.24 115.11 115.11 1n5g h GLN 36 Ca 0.07 0.04 -0.04 0.00 0.06 0.00 0.00 58.65 58.78 1n5g h GLN 36 Cb 0.06 0.14 -0.01 0.00 0.30 0.00 0.00 27.48 27.97 1n5g h GLN 36 CO -0.09 -0.33 -0.19 -1.35 -0.67 0.00 0.00 178.83 176.21 1n5g h PRO 37 N -0.91 0.05 0.00 1.46 0.11 -1.71 -3.54 132.00 127.46 1n5g h PRO 37 Ca -0.07 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.03 1n5g h PRO 37 Cb 0.59 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.70 1n5g h PRO 37 CO 0.11 0.24 0.00 -0.85 -0.21 0.00 0.00 178.00 177.29