#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2nlq h HIS 2 N 0.00 -0.06 0.44 2.11 -0.00 -1.92 0.79 115.15 116.51 2nlq h HIS 2 Ca 0.00 0.05 -0.02 0.00 -0.00 0.00 0.00 60.37 60.40 2nlq h HIS 2 Cb 0.00 0.13 0.00 0.00 -0.00 0.00 0.00 27.41 27.54 2nlq h HIS 2 CO 0.00 -0.19 -0.21 -0.92 -0.00 0.00 0.00 177.93 176.61 2nlq h TYR 3 N 0.11 -0.54 -0.20 5.26 3.20 -2.00 -1.45 116.97 121.34 2nlq h TYR 3 Ca 0.35 -0.01 -0.05 0.00 3.14 0.00 0.00 58.73 62.15 2nlq h TYR 3 Cb 0.57 0.18 -0.01 0.00 1.54 0.00 0.00 36.73 39.01 2nlq h TYR 3 CO -0.39 -0.30 -0.10 -0.91 -1.64 0.00 0.00 178.16 174.82 2nlq h ASN 4 N -0.66 0.30 0.36 -2.11 2.35 -1.88 -1.82 115.58 112.13 2nlq h ASN 4 Ca -0.06 -0.06 -0.02 0.00 -0.55 0.00 0.00 56.30 55.61 2nlq h ASN 4 Cb 0.49 -0.08 0.00 0.00 0.05 0.00 0.00 38.32 38.78 2nlq h ASN 4 CO 0.10 0.44 -0.17 0.00 -1.65 0.00 0.00 177.43 176.15 2nlq h VAL 6 N -0.79 1.26 0.00 0.00 2.07 -1.27 0.35 116.25 117.88 2nlq h VAL 6 Ca -0.05 -0.98 -0.02 0.00 0.82 0.00 0.00 66.70 66.48 2nlq h VAL 6 Cb 0.52 0.54 -0.00 0.00 -1.52 0.00 0.00 31.29 30.83 2nlq h VAL 6 CO 0.08 0.37 -0.08 0.77 0.02 0.00 0.00 177.57 178.73 2nlq h SER 7 N 1.07 0.00 0.73 0.57 4.64 -1.30 -2.03 113.55 117.22 2nlq h SER 7 Ca 0.22 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.54 2nlq h SER 7 Cb 0.38 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.47 2nlq h SER 7 CO 0.00 0.08 -0.48 -1.54 -0.87 0.00 0.00 176.83 174.03 2nlq n SER 8 N -3.42 0.52 0.00 4.97 3.41 -0.71 -4.94 113.62 113.45 2nlq n SER 8 Ca -0.01 0.01 0.00 0.00 -0.26 0.00 0.00 58.87 58.60 2nlq n SER 8 Cb 0.24 0.10 0.00 0.00 -0.26 0.00 0.00 64.21 64.28 2nlq n SER 8 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2nlq n GLY 9 N 1.43 0.73 3.95 5.00 0.00 -0.76 -5.09 105.19 110.45 2nlq n GLY 9 Ca 0.05 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.83 2nlq n GLY 9 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2nlq s GLY 10 N -0.66 1.75 0.17 -0.02 0.00 0.07 -4.89 107.32 103.74 2nlq s GLY 10 Ca 0.00 -1.14 0.11 0.00 0.00 0.00 0.00 44.72 43.68 2nlq s GLY 10 CO 0.00 -0.77 -0.21 1.20 0.00 0.00 0.00 173.10 173.32 2nlq s GLN 11 N -5.06 1.63 -0.38 2.90 -0.21 -0.37 -4.02 119.66 114.15 2nlq s GLN 11 Ca 0.60 -1.41 -0.17 0.00 0.02 0.00 0.00 55.36 54.39 2nlq s GLN 11 Cb -0.10 -1.94 0.01 0.00 1.00 0.00 0.00 33.01 31.97 2nlq s GLN 11 CO 0.42 0.42 0.47 0.00 -2.12 0.00 0.00 175.29 174.48 2nlq s LEU 13 N 2.27 1.46 0.11 0.00 1.43 0.06 -4.94 118.68 119.07 2nlq s LEU 13 Ca 0.15 -0.21 0.23 0.00 -1.03 0.00 0.00 54.13 53.27 2nlq s LEU 13 Cb -0.16 -0.64 0.91 0.00 0.03 0.00 0.00 46.19 46.33 2nlq s LEU 13 CO 0.14 -0.02 1.71 -1.22 0.23 0.00 0.00 176.35 177.19 2nlq n TYR 14 N 4.00 0.42 -2.88 0.29 4.02 -1.26 -0.66 117.16 121.09 2nlq n TYR 14 Ca -0.23 0.14 -0.17 0.00 -0.01 0.00 0.00 57.90 57.63 2nlq n TYR 14 Cb 0.51 -0.73 0.07 0.00 -0.02 0.00 0.00 39.34 39.17 2nlq n TYR 14 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 176.86 176.28 2nlq n SER 15 N -1.86 1.54 -4.67 7.72 7.64 -1.26 -4.84 113.62 117.89 2nlq n SER 15 Ca 0.04 -2.16 -0.40 0.00 1.01 0.00 0.00 58.87 57.37 2nlq n SER 15 Cb 0.28 -0.41 0.03 0.00 -1.01 0.00 0.00 64.21 63.11 2nlq n SER 15 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2nlq n ALA 16 N -2.60 0.81 -1.85 -0.43 0.00 -1.26 -4.73 120.51 110.45 2nlq n ALA 16 Ca -0.12 0.15 -0.42 0.00 0.00 0.00 0.00 53.44 53.05 2nlq n ALA 16 Cb 0.49 -2.20 -0.02 0.00 0.00 0.00 0.00 19.45 17.71 2nlq n ALA 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2nlq s PRO 18 N 0.24 1.84 0.46 0.00 0.04 -1.26 -4.88 135.00 131.44 2nlq s PRO 18 Ca 0.65 1.75 -0.23 0.00 0.04 0.00 0.00 61.00 63.22 2nlq s PRO 18 Cb -0.45 -1.80 -0.10 0.00 0.04 0.00 0.00 34.50 32.20 2nlq s PRO 18 CO 0.39 -2.06 0.96 1.51 0.04 0.00 0.00 177.00 177.85 2nlq n ILE 19 N -3.07 2.59 0.00 0.56 3.06 -1.26 -1.76 119.36 119.49 2nlq n ILE 19 Ca 0.13 -0.50 0.00 0.00 -2.50 0.00 0.00 62.75 59.88 2nlq n ILE 19 Cb 0.50 -1.11 0.00 0.00 0.54 0.00 0.00 39.64 39.57 2nlq n ILE 19 CO 0.00 0.00 0.00 0.49 -2.50 0.00 0.00 176.55 174.54 2nlq n PHE 20 N -0.75 0.00 -4.44 9.51 3.01 -1.26 -5.03 117.46 118.50 2nlq n PHE 20 Ca 0.10 0.00 -0.22 0.00 1.01 0.00 0.00 57.45 58.35 2nlq n PHE 20 Cb 0.41 0.00 -0.10 0.00 -0.01 0.00 0.00 39.48 39.77 2nlq n PHE 20 CO 0.00 0.00 0.00 0.95 1.01 0.00 0.00 176.76 178.72 2nlq s THR 21 N -2.16 1.59 0.15 4.37 -4.23 -0.72 -4.99 115.64 109.65 2nlq s THR 21 Ca 0.00 -2.10 -0.08 0.00 -1.18 0.00 0.00 61.69 58.33 2nlq s THR 21 Cb 0.00 -2.52 -0.01 0.00 1.34 0.00 0.00 72.50 71.31 2nlq s THR 21 CO 0.00 -0.24 0.25 -1.59 -0.54 0.00 0.00 174.62 172.50 2nlq s LYS 22 N -3.75 1.09 0.20 3.99 -2.85 -1.26 -4.68 119.74 112.49 2nlq s LYS 22 Ca 0.31 -1.17 -0.31 0.00 -1.00 0.00 0.00 55.97 53.80 2nlq s LYS 22 Cb 0.05 0.36 -0.10 0.00 -2.06 0.00 0.00 37.83 36.08 2nlq s LYS 22 CO 0.13 -0.39 1.50 -1.50 0.10 0.00 0.00 175.35 175.19 2nlq s ILE 23 N -3.96 2.67 0.00 3.79 2.07 -1.26 -0.42 121.20 124.09 2nlq s ILE 23 Ca 0.16 0.52 0.00 0.00 -1.41 0.00 0.00 60.65 59.92 2nlq s ILE 23 Cb 0.04 -3.33 0.00 0.00 0.13 0.00 0.00 42.46 39.30 2nlq s ILE 23 CO -0.01 0.06 0.43 0.00 -1.91 0.00 0.00 174.94 173.51 2nlq n GLN 24 N 3.21 -0.68 -1.78 3.50 1.13 0.15 -4.88 117.38 118.02 2nlq n GLN 24 Ca 0.10 -0.45 0.00 0.00 -1.94 0.00 0.00 57.00 54.72 2nlq n GLN 24 Cb 0.39 -0.91 0.00 0.00 0.11 0.00 0.00 30.24 29.83 2nlq n GLN 24 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2nlq n GLY 25 N -0.02 -0.06 3.30 1.08 0.00 -1.24 -4.97 105.19 103.28 2nlq n GLY 25 Ca 0.00 -1.24 -0.16 0.00 0.00 0.00 0.00 46.02 44.62 2nlq n GLY 25 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2nlq s THR 26 N -3.36 0.48 0.06 2.61 -4.23 -1.26 -0.45 115.64 109.49 2nlq s THR 26 Ca 0.00 -2.00 -0.00 0.00 -1.18 0.00 0.00 61.69 58.51 2nlq s THR 26 Cb 0.00 -2.59 -0.04 0.00 1.34 0.00 0.00 72.50 71.21 2nlq s THR 26 CO 0.00 -0.03 -0.04 0.00 -0.54 0.00 0.00 174.62 174.01 2nlq n TYR 28 N 0.17 -1.92 -3.84 0.00 0.53 -1.26 -1.05 117.16 109.79 2nlq n TYR 28 Ca -0.14 0.69 -0.27 0.00 -1.02 0.00 0.00 57.90 57.16 2nlq n TYR 28 Cb 0.60 -3.91 0.03 0.00 -1.03 0.00 0.00 39.34 35.03 2nlq n TYR 28 CO 0.00 0.00 0.00 0.54 -1.02 0.00 0.00 176.86 176.38 2nlq n ARG 29 N -2.98 -5.44 -0.89 -0.72 5.12 -1.26 -1.64 116.66 108.85 2nlq n ARG 29 Ca -0.09 0.61 0.00 0.00 -1.93 0.00 0.00 57.85 56.45 2nlq n ARG 29 Cb 0.60 -5.41 0.00 0.00 -1.16 0.00 0.00 32.46 26.50 2nlq n ARG 29 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2nlq n GLY 30 N -1.68 0.85 0.14 -0.13 0.00 -1.11 -4.88 105.19 98.37 2nlq n GLY 30 Ca -0.06 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.04 2nlq n GLY 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2nlq h ALA 31 N 0.00 0.66 -2.06 4.61 0.00 -0.77 -3.46 119.26 118.25 2nlq h ALA 31 Ca 0.00 -0.20 -0.58 0.00 0.00 0.00 0.00 54.91 54.14 2nlq h ALA 31 Cb 0.00 0.04 -0.14 0.00 0.00 0.00 0.00 17.79 17.69 2nlq h ALA 31 CO 0.00 0.23 -0.70 0.00 0.00 0.00 0.00 179.25 178.78 2nlq s ALA 32 N -3.21 2.70 0.20 0.00 0.00 -0.22 -4.86 121.76 116.37 2nlq s ALA 32 Ca 0.01 -1.97 -0.12 0.00 0.00 0.00 0.00 51.96 49.88 2nlq s ALA 32 Cb 0.08 -0.05 -0.07 0.00 0.00 0.00 0.00 23.12 23.08 2nlq s ALA 32 CO 0.76 0.09 0.57 0.15 0.00 0.00 0.00 175.76 177.34 2nlq s LYS 33 N -3.61 3.91 -0.48 0.00 1.02 0.16 -1.02 119.74 119.73 2nlq s LYS 33 Ca 0.30 0.43 -0.21 0.00 0.02 0.00 0.00 55.97 56.51 2nlq s LYS 33 Cb 0.01 -2.76 0.04 0.00 -0.52 0.00 0.00 37.83 34.60 2nlq s LYS 33 CO 0.14 0.37 0.69 0.00 -0.92 0.00 0.00 175.35 175.64