#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 0.39 -0.87 5.67 4.07 -2.02 -1.37 115.31 121.18 1n5g h LEU 2 Ca 0.00 -0.08 0.00 0.00 0.08 0.00 0.00 57.88 57.88 1n5g h LEU 2 Cb 0.00 -0.10 0.00 0.00 1.08 0.00 0.00 40.66 41.64 1n5g h LEU 2 CO 0.00 0.49 0.00 -0.29 -1.08 0.00 0.00 178.44 177.56 1n5g h ILE 3 N 0.39 0.00 0.00 1.22 6.09 -2.04 -3.13 117.51 120.04 1n5g h ILE 3 Ca 0.08 -0.38 0.00 0.00 -1.37 0.00 0.00 64.86 63.19 1n5g h ILE 3 Cb 0.35 1.24 0.00 0.00 0.47 0.00 0.00 36.82 38.88 1n5g h ILE 3 CO 0.02 0.00 0.00 0.00 -3.07 0.00 0.00 178.15 175.10 1n5g h GLU 5 N 0.00 -0.45 0.11 0.00 4.11 -1.47 -1.71 114.58 115.17 1n5g h GLU 5 Ca 0.00 0.03 -0.01 0.00 0.07 0.00 0.00 59.36 59.45 1n5g h GLU 5 Cb 0.00 0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.35 1n5g h GLU 5 CO 0.00 -0.30 -0.05 1.49 0.07 0.00 0.00 179.01 180.22 1n5g h GLU 6 N -0.46 -0.15 0.17 1.06 4.57 -1.74 -3.10 114.58 114.92 1n5g h GLU 6 Ca 0.04 0.01 -0.01 0.00 -1.18 0.00 0.00 59.36 58.23 1n5g h GLU 6 Cb 0.59 0.03 -0.00 0.00 -0.16 0.00 0.00 28.75 29.21 1n5g h GLU 6 CO -0.45 -0.10 -0.14 -1.00 -1.18 0.00 0.00 179.01 176.14 1n5g h PRO 7 N -0.59 -0.29 -0.15 0.92 0.13 -1.68 -3.14 132.00 127.20 1n5g h PRO 7 Ca -0.02 0.02 -0.08 0.00 -0.87 0.00 0.00 66.00 65.06 1n5g h PRO 7 Cb 0.12 0.07 -0.00 0.00 0.13 0.00 0.00 31.00 31.31 1n5g h PRO 7 CO 0.03 -0.19 -0.21 1.15 -0.23 0.00 0.00 178.00 178.54 1n5g h THR 8 N -0.30 1.36 0.00 1.56 2.02 -1.49 -2.81 112.91 113.25 1n5g h THR 8 Ca -0.02 -1.42 -0.09 0.00 0.77 0.00 0.00 66.41 65.64 1n5g h THR 8 Cb 0.25 1.94 -0.01 0.00 -1.74 0.00 0.00 68.15 68.59 1n5g h THR 8 CO 0.00 0.42 -0.44 0.00 0.37 0.00 0.00 175.52 175.87 1n5g h ARG 10 N 0.00 0.67 -0.59 0.00 2.43 -1.48 -1.06 114.38 114.35 1n5g h ARG 10 Ca -0.00 -0.14 -0.03 0.00 -0.81 0.00 0.00 59.98 58.99 1n5g h ARG 10 Cb 0.84 -0.10 -0.03 0.00 -0.42 0.00 0.00 29.97 30.26 1n5g h ARG 10 CO 0.06 0.64 0.23 -0.91 -1.51 0.00 0.00 179.97 178.48 1n5g h ASN 11 N 0.57 0.79 -0.40 -3.80 2.35 -1.17 -2.69 115.58 111.22 1n5g h ASN 11 Ca 0.14 -0.10 0.06 0.00 -0.55 0.00 0.00 56.30 55.85 1n5g h ASN 11 Cb 0.24 -0.20 -0.02 0.00 0.05 0.00 0.00 38.32 38.38 1n5g h ASN 11 CO -0.01 0.71 0.27 0.08 -1.65 0.00 0.00 177.43 176.84 1n5g h ARG 12 N 0.85 0.29 -1.04 0.81 0.11 -0.31 -0.03 114.38 115.06 1n5g h ARG 12 Ca 0.20 -0.02 0.28 0.00 0.10 0.00 0.00 59.98 60.54 1n5g h ARG 12 Cb 0.17 -0.07 -0.07 0.00 1.11 0.00 0.00 29.97 31.12 1n5g h ARG 12 CO -0.02 0.19 0.70 1.15 0.10 0.00 0.00 179.97 182.10 1n5g h THR 13 N 0.30 0.51 0.00 0.08 2.02 -0.85 0.54 112.91 115.52 1n5g h THR 13 Ca 0.18 -0.08 -0.00 0.00 0.77 0.00 0.00 66.41 67.27 1n5g h THR 13 Cb 0.33 0.25 -0.00 0.00 -1.74 0.00 0.00 68.15 66.99 1n5g h THR 13 CO -0.04 0.04 -0.02 0.03 0.37 0.00 0.00 175.52 175.91 1n5g h ARG 14 N 0.24 0.00 -0.13 6.66 -0.00 -0.98 -2.79 114.38 117.39 1n5g h ARG 14 Ca 0.55 0.00 -0.17 0.00 -0.50 0.00 0.00 59.98 59.86 1n5g h ARG 14 Cb 1.69 0.00 -0.01 0.00 0.00 0.00 0.00 29.97 31.65 1n5g h ARG 14 CO -0.17 0.02 -0.64 0.45 0.00 0.00 0.00 179.97 179.62 1n5g h HIS 15 N 0.00 0.61 -0.88 3.04 3.86 -0.33 -3.36 115.15 118.09 1n5g h HIS 15 Ca -0.00 -0.24 0.14 0.00 -1.16 0.00 0.00 60.37 59.10 1n5g h HIS 15 Cb 0.34 -0.11 -0.07 0.00 1.06 0.00 0.00 27.41 28.63 1n5g h HIS 15 CO 0.00 0.98 0.57 1.25 0.86 0.00 0.00 177.93 181.59 1n5g h LEU 16 N 0.34 0.66 -1.83 2.43 6.46 -1.18 0.37 115.31 122.55 1n5g h LEU 16 Ca -0.01 0.04 0.23 0.00 -0.12 0.00 0.00 57.88 58.02 1n5g h LEU 16 Cb 1.20 -0.09 -0.05 0.00 -0.73 0.00 0.00 40.66 40.99 1n5g h LEU 16 CO 0.11 0.34 0.61 -0.65 -0.62 0.00 0.00 178.44 178.23 1n5g h PRO 17 N 0.70 0.13 0.00 5.25 0.11 -1.72 -3.33 132.00 133.14 1n5g h PRO 17 Ca 0.44 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 66.52 1n5g h PRO 17 Cb 0.70 -0.03 -0.00 0.00 0.11 0.00 0.00 31.00 31.77 1n5g h PRO 17 CO -0.20 0.09 -0.22 1.37 -0.21 0.00 0.00 178.00 178.83 1n5g h LEU 18 N 0.13 0.00 0.89 2.35 8.10 -1.45 -3.50 115.31 121.84 1n5g h LEU 18 Ca 0.43 -0.25 -0.24 0.00 0.11 0.00 0.00 57.88 57.94 1n5g h LEU 18 Cb 1.48 0.00 -0.07 0.00 -0.44 0.00 0.00 40.66 41.64 1n5g h LEU 18 CO -0.07 0.74 -0.24 1.67 -4.11 0.00 0.00 178.44 176.43 1n5g n GLN 19 N -4.68 -0.84 -0.02 0.17 7.27 -0.00 -4.96 117.38 114.32 1n5g n GLN 19 Ca -0.06 0.80 -0.16 0.00 0.07 0.00 0.00 57.00 57.65 1n5g n GLN 19 Cb 0.21 -4.84 -0.14 0.00 2.41 0.00 0.00 30.24 27.88 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 -3.07 1.05 -1.20 3.69 1.16 -1.26 -3.79 117.46 114.04 1n5g n PHE 20 Ca -0.12 0.28 -0.22 0.00 -1.87 0.00 0.00 57.45 55.52 1n5g n PHE 20 Cb 0.45 -1.16 -0.11 0.00 -1.61 0.00 0.00 39.48 37.05 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 -3.27 6.37 0.10 5.98 2.88 -1.26 -4.73 113.62 119.69 1n5g n SER 21 Ca -0.27 -2.64 -0.16 0.00 -1.33 0.00 0.00 58.87 54.48 1n5g n SER 21 Cb 1.05 -1.42 -0.12 0.00 -0.75 0.00 0.00 64.21 62.97 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 3.54 0.30 0.05 -1.46 -0.00 -1.94 -3.20 114.38 111.67 1n5g h ARG 22 Ca 0.40 -0.47 -0.00 0.00 -0.00 0.00 0.00 59.98 59.91 1n5g h ARG 22 Cb 1.06 0.17 0.00 0.00 -0.00 0.00 0.00 29.97 31.20 1n5g h ARG 22 CO 0.74 1.20 -0.03 1.79 -0.00 0.00 0.00 179.97 183.68 1n5g h THR 23 N 0.10 1.27 -5.31 0.08 1.35 -1.91 -3.52 112.91 104.98 1n5g h THR 23 Ca -0.13 -1.54 0.00 0.00 -0.55 0.00 0.00 66.41 64.20 1n5g h THR 23 Cb 1.91 2.22 0.00 0.00 -1.73 0.00 0.00 68.15 70.55 1n5g h THR 23 CO 0.20 0.36 -0.10 0.61 -0.25 0.00 0.00 175.52 176.34 1n5g n GLY 24 N 0.90 -1.24 3.36 5.82 0.00 -1.21 -4.81 105.19 108.01 1n5g n GLY 24 Ca -0.08 0.61 -0.36 0.00 0.00 0.00 0.00 46.02 46.19 1n5g n GLY 24 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1n5g n PRO 25 N -1.47 1.20 0.00 1.61 -0.02 -1.26 -4.20 135.00 130.86 1n5g n PRO 25 Ca 0.02 -1.93 0.00 0.00 -2.02 0.00 0.00 63.50 59.58 1n5g n PRO 25 Cb 0.49 -3.23 0.00 0.00 -0.02 0.00 0.00 33.50 30.74 1n5g n PRO 25 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1n5g n LEU 26 N 11.18 0.00 -3.95 2.45 4.32 -1.26 -5.13 117.00 124.62 1n5g n LEU 26 Ca 0.47 0.00 -0.10 0.00 -0.02 0.00 0.00 56.01 56.36 1n5g n LEU 26 Cb 0.43 0.00 -0.12 0.00 -1.62 0.00 0.00 43.42 42.11 1n5g n LEU 26 CO 0.90 0.00 -0.36 0.00 -1.22 0.00 0.00 177.39 176.71 1n5g s PRO 28 N -1.01 2.86 -1.09 0.00 0.04 -1.26 -4.38 135.00 130.16 1n5g s PRO 28 Ca -0.11 0.32 -0.00 0.00 0.04 0.00 0.00 61.00 61.25 1n5g s PRO 28 Cb -0.07 -4.30 0.00 0.00 0.04 0.00 0.00 34.50 30.17 1n5g s PRO 28 CO -0.01 -2.48 0.06 0.00 0.04 0.00 0.00 177.00 174.61 1n5g n ALA 29 N 11.41 -0.42 0.06 8.56 0.00 -1.26 -4.94 120.51 133.93 1n5g n ALA 29 Ca 0.14 0.12 0.11 0.00 0.00 0.00 0.00 53.44 53.81 1n5g n ALA 29 Cb 0.51 -1.72 0.24 0.00 0.00 0.00 0.00 19.45 18.48 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 4.24 0.42 -0.52 0.00 4.05 -1.92 -3.33 114.93 117.86 1n5g h MET 31 Ca 0.00 -0.72 -0.06 0.00 -0.28 0.00 0.00 59.70 58.65 1n5g h MET 31 Cb 0.96 0.27 -0.02 0.00 -0.80 0.00 0.00 31.60 32.01 1n5g h MET 31 CO 0.00 1.34 0.10 1.57 0.23 0.00 0.00 176.91 180.15 1n5g h LYS 32 N -0.06 0.81 -0.88 0.39 2.10 -1.99 -3.21 116.57 113.73 1n5g h LYS 32 Ca -0.24 -0.18 0.09 0.00 -2.00 0.00 0.00 60.65 58.32 1n5g h LYS 32 Cb 1.96 -0.12 -0.07 0.00 -0.90 0.00 0.00 32.23 33.10 1n5g h LYS 32 CO 0.20 0.75 0.53 0.00 -2.00 0.00 0.00 179.45 178.93 1n5g h ALA 33 N 1.33 1.25 -0.80 0.07 0.00 -1.80 -0.67 119.26 118.64 1n5g h ALA 33 Ca 0.17 0.02 0.11 0.00 0.00 0.00 0.00 54.91 55.20 1n5g h ALA 33 Cb 0.33 -0.18 -0.06 0.00 0.00 0.00 0.00 17.79 17.88 1n5g h ALA 33 CO 0.00 0.19 0.52 1.15 0.00 0.00 0.00 179.25 181.11 1n5g h THR 34 N 0.90 0.92 -0.11 0.00 2.02 -1.66 -3.09 112.91 111.89 1n5g h THR 34 Ca 0.41 -0.24 -0.13 0.00 0.77 0.00 0.00 66.41 67.22 1n5g h THR 34 Cb 0.33 0.16 -0.01 0.00 -1.74 0.00 0.00 68.15 66.89 1n5g h THR 34 CO -0.23 0.13 -0.52 -0.07 0.37 0.00 0.00 175.52 175.20 1n5g h LEU 35 N 0.69 0.32 -0.96 2.58 4.07 -1.26 -0.67 115.31 120.08 1n5g h LEU 35 Ca 0.38 -0.16 0.11 0.00 0.08 0.00 0.00 57.88 58.28 1n5g h LEU 35 Cb 0.51 -0.09 -0.13 0.00 1.08 0.00 0.00 40.66 42.03 1n5g h LEU 35 CO -0.15 0.79 -0.50 0.00 -1.08 0.00 0.00 178.44 177.50 1n5g n GLN 36 N -3.94 -0.36 -0.04 1.13 6.02 -1.06 -3.20 117.38 115.93 1n5g n GLN 36 Ca -0.02 1.46 -0.15 0.00 -0.01 0.00 0.00 57.00 58.28 1n5g n GLN 36 Cb 0.56 -2.15 -0.08 0.00 1.02 0.00 0.00 30.24 29.59 1n5g n GLN 36 CO 0.00 0.00 0.00 -1.35 -1.01 0.00 0.00 177.06 174.70 1n5g h PRO 37 N 0.00 0.44 0.00 -1.09 0.11 -1.66 -3.52 132.00 126.27 1n5g h PRO 37 Ca 0.21 -0.32 0.00 0.00 0.11 0.00 0.00 66.00 66.00 1n5g h PRO 37 Cb 0.45 0.06 0.00 0.00 0.11 0.00 0.00 31.00 31.62 1n5g h PRO 37 CO -0.92 0.95 0.00 -1.91 -0.21 0.00 0.00 178.00 175.91