#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 0.26 -1.57 5.67 4.07 -2.02 -2.36 115.31 119.36 1n5g h LEU 2 Ca 0.00 -0.85 0.13 0.00 0.08 0.00 0.00 57.88 57.24 1n5g h LEU 2 Cb 0.00 -0.08 -0.05 0.00 1.08 0.00 0.00 40.66 41.61 1n5g h LEU 2 CO 0.00 1.41 0.48 -0.29 -1.08 0.00 0.00 178.44 178.96 1n5g h ILE 3 N -0.58 0.84 0.29 1.22 6.09 -2.05 -2.85 117.51 120.47 1n5g h ILE 3 Ca -0.21 -0.15 -0.01 0.00 -1.37 0.00 0.00 64.86 63.11 1n5g h ILE 3 Cb 1.49 0.35 0.00 0.00 0.47 0.00 0.00 36.82 39.14 1n5g h ILE 3 CO 0.02 0.08 -0.14 0.00 -3.07 0.00 0.00 178.15 175.05 1n5g h GLU 5 N -0.92 -0.83 0.09 0.00 4.11 -1.16 -1.64 114.58 114.22 1n5g h GLU 5 Ca -0.04 0.06 -0.00 0.00 0.07 0.00 0.00 59.36 59.44 1n5g h GLU 5 Cb 0.51 0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.95 1n5g h GLU 5 CO 0.07 -0.56 -0.04 1.49 0.07 0.00 0.00 179.01 180.04 1n5g h GLU 6 N -0.87 -0.11 0.00 1.06 4.57 -1.84 -3.34 114.58 114.06 1n5g h GLU 6 Ca -0.04 0.01 -0.01 0.00 -1.18 0.00 0.00 59.36 58.13 1n5g h GLU 6 Cb 0.78 0.03 -0.00 0.00 -0.16 0.00 0.00 28.75 29.39 1n5g h GLU 6 CO -0.11 0.25 -0.07 -1.00 -1.18 0.00 0.00 179.01 176.89 1n5g h PRO 7 N -0.49 0.00 0.71 0.92 0.13 -1.74 -3.37 132.00 128.15 1n5g h PRO 7 Ca -0.01 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.09 1n5g h PRO 7 Cb 0.41 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.53 1n5g h PRO 7 CO 0.02 0.70 -0.50 1.15 -0.23 0.00 0.00 178.00 179.13 1n5g h THR 8 N -1.00 0.00 -0.23 1.56 2.02 -1.48 -3.12 112.91 110.65 1n5g h THR 8 Ca -0.02 0.00 -0.12 0.00 0.77 0.00 0.00 66.41 67.04 1n5g h THR 8 Cb 0.72 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 67.12 1n5g h THR 8 CO -0.01 0.00 -0.38 0.00 0.37 0.00 0.00 175.52 175.50 1n5g h ARG 10 N 0.43 0.59 -0.69 0.00 2.43 -1.68 0.15 114.38 115.61 1n5g h ARG 10 Ca 0.04 -0.04 -0.03 0.00 -0.81 0.00 0.00 59.98 59.14 1n5g h ARG 10 Cb 0.86 -0.13 -0.03 0.00 -0.42 0.00 0.00 29.97 30.25 1n5g h ARG 10 CO 0.07 0.39 0.31 -0.91 -1.51 0.00 0.00 179.97 178.33 1n5g h ASN 11 N 0.61 0.93 0.09 -3.80 2.35 -1.45 -3.22 115.58 111.09 1n5g h ASN 11 Ca 0.57 -0.15 -0.10 0.00 -0.55 0.00 0.00 56.30 56.07 1n5g h ASN 11 Cb 1.11 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 39.22 1n5g h ASN 11 CO -0.34 0.82 -0.34 0.08 -1.65 0.00 0.00 177.43 175.99 1n5g h ARG 12 N 0.97 0.36 -0.93 0.81 0.11 -0.53 -2.84 114.38 112.33 1n5g h ARG 12 Ca 0.24 -0.15 0.07 0.00 0.10 0.00 0.00 59.98 60.23 1n5g h ARG 12 Cb 0.16 -0.01 -0.06 0.00 1.11 0.00 0.00 29.97 31.16 1n5g h ARG 12 CO -0.03 0.66 0.60 1.15 0.10 0.00 0.00 179.97 182.46 1n5g h THR 13 N 0.31 1.05 0.00 0.08 2.02 -0.85 -1.18 112.91 114.33 1n5g h THR 13 Ca 0.04 -0.36 -0.02 0.00 0.77 0.00 0.00 66.41 66.84 1n5g h THR 13 Cb 0.75 -0.08 -0.00 0.00 -1.74 0.00 0.00 68.15 67.08 1n5g h THR 13 CO 0.06 0.19 -0.11 0.03 0.37 0.00 0.00 175.52 176.06 1n5g h ARG 14 N 1.04 0.00 -0.53 6.66 -0.00 -1.51 -2.39 114.38 117.64 1n5g h ARG 14 Ca 0.41 0.00 0.10 0.00 -0.50 0.00 0.00 59.98 59.99 1n5g h ARG 14 Cb 0.24 0.00 -0.03 0.00 0.00 0.00 0.00 29.97 30.18 1n5g h ARG 14 CO -0.16 0.11 0.36 0.45 0.00 0.00 0.00 179.97 180.73 1n5g h HIS 15 N 0.00 0.29 -1.04 3.04 3.86 -1.16 -3.37 115.15 116.78 1n5g h HIS 15 Ca -0.00 0.01 0.28 0.00 -1.16 0.00 0.00 60.37 59.50 1n5g h HIS 15 Cb 0.20 -0.10 -0.12 0.00 1.06 0.00 0.00 27.41 28.45 1n5g h HIS 15 CO 0.00 0.14 0.63 1.25 0.86 0.00 0.00 177.93 180.80 1n5g h LEU 16 N 0.27 0.55 -1.80 2.43 5.85 -1.14 0.11 115.31 121.59 1n5g h LEU 16 Ca 0.25 0.14 -0.03 0.00 0.84 0.00 0.00 57.88 59.07 1n5g h LEU 16 Cb 0.61 0.06 -0.00 0.00 0.37 0.00 0.00 40.66 41.69 1n5g h LEU 16 CO -0.05 0.02 -0.15 1.55 -0.34 0.00 0.00 178.44 179.47 1n5g h PRO 17 N 0.44 0.00 0.07 5.25 0.13 -1.81 -3.07 132.00 133.01 1n5g h PRO 17 Ca 0.67 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.79 1n5g h PRO 17 Cb 1.50 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.63 1n5g h PRO 17 CO -0.46 0.15 -0.03 1.37 -0.23 0.00 0.00 178.00 178.80 1n5g h LEU 18 N 0.00 -0.08 -0.63 1.56 8.10 -1.10 -3.49 115.31 119.67 1n5g h LEU 18 Ca -0.00 -0.53 -0.31 0.00 0.11 0.00 0.00 57.88 57.14 1n5g h LEU 18 Cb 0.32 0.02 0.10 0.00 -0.44 0.00 0.00 40.66 40.66 1n5g h LEU 18 CO 0.02 0.56 -0.52 1.67 -4.11 0.00 0.00 178.44 176.06 1n5g n GLN 19 N -4.82 -5.87 -0.06 0.17 -0.06 -0.32 -4.90 117.38 101.51 1n5g n GLN 19 Ca -0.08 0.66 -0.07 0.00 -2.00 0.00 0.00 57.00 55.51 1n5g n GLN 19 Cb 0.30 -5.16 -0.08 0.00 -4.06 0.00 0.00 30.24 21.24 1n5g n GLN 19 CO 0.00 0.00 0.00 1.97 -0.20 0.00 0.00 177.06 178.83 1n5g n PHE 20 N -4.43 0.00 -1.82 3.69 1.16 -1.26 -4.59 117.46 110.20 1n5g n PHE 20 Ca -0.01 0.00 -0.35 0.00 -1.87 0.00 0.00 57.45 55.22 1n5g n PHE 20 Cb 0.55 -0.55 0.00 0.00 -1.61 0.00 0.00 39.48 37.88 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 -2.54 7.16 -0.09 5.98 2.88 -1.26 -4.71 113.62 121.03 1n5g n SER 21 Ca -0.20 -3.56 -0.07 0.00 -1.33 0.00 0.00 58.87 53.71 1n5g n SER 21 Cb 0.84 -1.15 -0.00 0.00 -0.75 0.00 0.00 64.21 63.14 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 3.16 -0.17 0.06 -1.46 -0.00 -1.98 -3.36 114.38 110.64 1n5g h ARG 22 Ca 0.51 0.01 -0.00 0.00 -0.00 0.00 0.00 59.98 60.50 1n5g h ARG 22 Cb 0.31 0.04 0.00 0.00 -0.00 0.00 0.00 29.97 30.32 1n5g h ARG 22 CO 1.22 -0.11 -0.03 1.79 -0.00 0.00 0.00 179.97 182.83 1n5g h THR 23 N -0.18 0.00 -3.15 0.08 1.35 -1.99 -3.49 112.91 105.53 1n5g h THR 23 Ca 0.17 -0.05 0.00 0.00 -0.55 0.00 0.00 66.41 65.98 1n5g h THR 23 Cb 0.44 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 66.86 1n5g h THR 23 CO -0.44 0.00 -0.75 0.61 -0.25 0.00 0.00 175.52 174.69 1n5g n GLY 24 N 0.37 -4.57 2.25 5.82 0.00 -1.26 -4.64 105.19 103.15 1n5g n GLY 24 Ca -0.01 -0.62 -0.27 0.00 0.00 0.00 0.00 46.02 45.12 1n5g n GLY 24 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1n5g n PRO 25 N -0.08 2.30 0.00 1.61 -0.04 -1.26 -4.38 135.00 133.15 1n5g n PRO 25 Ca 0.00 -2.49 -0.01 0.00 -0.04 0.00 0.00 63.50 60.96 1n5g n PRO 25 Cb 0.00 -2.00 -0.00 0.00 -0.04 0.00 0.00 33.50 31.46 1n5g n PRO 25 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1n5g n LEU 26 N -0.10 0.34 -4.08 1.53 4.32 -1.26 -5.05 117.00 112.69 1n5g n LEU 26 Ca 0.47 0.05 -0.32 0.00 -0.02 0.00 0.00 56.01 56.19 1n5g n LEU 26 Cb 0.56 -0.24 -0.16 0.00 -1.62 0.00 0.00 43.42 41.97 1n5g n LEU 26 CO 0.53 -0.52 -0.51 0.00 -1.22 0.00 0.00 177.39 175.66 1n5g n PRO 28 N 4.62 3.27 -3.18 0.00 -0.04 -1.26 -4.45 135.00 133.95 1n5g n PRO 28 Ca -0.19 -3.50 -0.07 0.00 -0.04 0.00 0.00 63.50 59.70 1n5g n PRO 28 Cb 0.50 -3.30 0.02 0.00 -0.04 0.00 0.00 33.50 30.68 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 7.15 -2.52 1.20 0.55 0.00 -1.26 -5.02 120.51 120.61 1n5g n ALA 29 Ca 0.44 0.01 0.13 0.00 0.00 0.00 0.00 53.44 54.01 1n5g n ALA 29 Cb 0.44 -2.65 0.33 0.00 0.00 0.00 0.00 19.45 17.57 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 1.27 0.31 -0.12 0.00 4.05 -1.91 -3.23 114.93 115.30 1n5g h MET 31 Ca 0.00 -0.18 -0.23 0.00 -0.28 0.00 0.00 59.70 59.01 1n5g h MET 31 Cb 0.53 0.01 0.01 0.00 -0.80 0.00 0.00 31.60 31.36 1n5g h MET 31 CO 0.00 0.74 -0.83 1.57 0.23 0.00 0.00 176.91 178.62 1n5g h LYS 32 N 0.25 0.76 -0.68 0.39 2.10 -1.99 -3.23 116.57 114.16 1n5g h LYS 32 Ca 0.01 -0.65 0.12 0.00 -2.00 0.00 0.00 60.65 58.13 1n5g h LYS 32 Cb 0.96 0.15 -0.04 0.00 -0.90 0.00 0.00 32.23 32.39 1n5g h LYS 32 CO 0.08 1.25 0.45 0.00 -2.00 0.00 0.00 179.45 179.24 1n5g h ALA 33 N 0.55 2.03 -0.44 0.07 0.00 -1.80 -1.78 119.26 117.90 1n5g h ALA 33 Ca -0.07 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 54.86 1n5g h ALA 33 Cb 1.46 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 19.14 1n5g h ALA 33 CO 0.17 -0.20 0.26 1.15 0.00 0.00 0.00 179.25 180.63 1n5g h THR 34 N 0.44 1.05 -1.01 0.00 2.02 -1.58 -3.38 112.91 110.45 1n5g h THR 34 Ca 0.32 -0.18 0.08 0.00 0.77 0.00 0.00 66.41 67.40 1n5g h THR 34 Cb 0.66 0.47 -0.07 0.00 -1.74 0.00 0.00 68.15 67.47 1n5g h THR 34 CO -0.10 0.10 0.65 -0.07 0.37 0.00 0.00 175.52 176.46 1n5g h LEU 35 N 0.52 1.02 0.36 2.58 4.07 -1.34 -2.52 115.31 120.00 1n5g h LEU 35 Ca 0.18 0.02 -0.02 0.00 0.08 0.00 0.00 57.88 58.14 1n5g h LEU 35 Cb 0.01 -0.20 -0.00 0.00 1.08 0.00 0.00 40.66 41.55 1n5g h LEU 35 CO -0.08 0.63 -0.21 1.56 -1.08 0.00 0.00 178.44 179.26 1n5g h GLN 36 N 1.15 -0.51 0.00 1.13 4.20 -1.73 -3.40 115.11 115.95 1n5g h GLN 36 Ca 0.45 0.03 0.00 0.00 0.06 0.00 0.00 58.65 59.19 1n5g h GLN 36 Cb 0.23 0.12 0.00 0.00 0.30 0.00 0.00 27.48 28.12 1n5g h GLN 36 CO -0.19 -0.34 0.00 -0.35 -0.67 0.00 0.00 178.83 177.28 1n5g n PRO 37 N -3.59 0.32 0.00 1.46 -0.04 -1.11 -5.19 135.00 126.86 1n5g n PRO 37 Ca -0.06 0.08 0.11 0.00 -0.04 0.00 0.00 63.50 63.59 1n5g n PRO 37 Cb 0.22 -1.50 0.09 0.00 -0.04 0.00 0.00 33.50 32.27 1n5g n PRO 37 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61