#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1y1c n PRO 2 N 0.00 -4.31 -1.93 1.64 -0.04 -1.26 -5.01 135.00 124.09 1y1c n PRO 2 Ca 0.00 -1.19 -0.30 0.00 -0.04 0.00 0.00 63.50 61.98 1y1c n PRO 2 Cb 0.00 -1.53 0.05 0.00 -0.04 0.00 0.00 33.50 31.98 1y1c n PRO 2 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1y1c s ASP 3 N -2.92 5.45 0.00 3.54 1.01 -1.26 -5.00 116.67 117.49 1y1c s ASP 3 Ca 0.54 1.09 -0.13 0.00 0.71 0.00 0.00 52.55 54.76 1y1c s ASP 3 Cb -0.09 -1.90 0.02 0.00 1.01 0.00 0.00 42.92 41.95 1y1c s ASP 3 CO 0.45 -1.32 0.27 0.00 0.21 0.00 0.00 175.17 174.78 1y1c s ALA 4 N -3.33 -0.65 1.29 5.23 0.00 -1.22 -5.06 121.76 118.02 1y1c s ALA 4 Ca 0.58 0.15 -0.20 0.00 0.00 0.00 0.00 51.96 52.48 1y1c s ALA 4 Cb -0.11 0.13 0.32 0.00 0.00 0.00 0.00 23.12 23.46 1y1c s ALA 4 CO 0.51 -0.28 1.02 -1.25 0.00 0.00 0.00 175.76 175.76 1y1c s PRO 5 N -1.61 -1.93 -0.47 0.00 0.04 -1.26 -2.32 135.00 127.45 1y1c s PRO 5 Ca -0.12 0.11 0.04 0.00 0.04 0.00 0.00 61.00 61.07 1y1c s PRO 5 Cb -0.05 -1.50 0.43 0.00 0.04 0.00 0.00 34.50 33.42 1y1c s PRO 5 CO 0.02 -4.22 1.36 0.00 0.04 0.00 0.00 177.00 174.21 1y1c n ILE 7 N -0.61 -0.20 0.12 0.00 5.41 -1.26 -4.76 119.36 118.06 1y1c n ILE 7 Ca 0.45 -3.39 -0.23 0.00 1.00 0.00 0.00 62.75 60.58 1y1c n ILE 7 Cb 0.71 0.07 -0.15 0.00 -0.71 0.00 0.00 39.64 39.55 1y1c n ILE 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1y1c n THR 9 N -3.65 0.00 -1.02 0.00 5.66 -1.26 -5.02 114.28 108.98 1y1c n THR 9 Ca -0.18 0.00 0.07 0.00 -3.05 0.00 0.00 64.05 60.88 1y1c n THR 9 Cb 1.09 0.00 0.09 0.00 -1.55 0.00 0.00 70.33 69.96 1y1c n THR 9 CO 0.00 0.00 0.00 0.23 -3.05 0.00 0.00 175.07 172.25 1y1c n MET 10 N 0.00 1.33 -0.68 1.09 2.81 -1.26 -4.87 117.12 115.54 1y1c n MET 10 Ca 0.00 -2.09 -0.19 0.00 -1.81 0.00 0.00 57.70 53.61 1y1c n MET 10 Cb 0.00 -1.23 -0.03 0.00 -0.71 0.00 0.00 33.22 31.25 1y1c n MET 10 CO 0.00 0.00 0.00 1.04 1.51 0.00 0.00 175.97 178.52 1y1c n GLN 11 N -1.02 1.87 -0.01 0.03 1.13 -1.26 -4.82 117.38 113.30 1y1c n GLN 11 Ca 0.10 -1.29 -0.00 0.00 -1.94 0.00 0.00 57.00 53.87 1y1c n GLN 11 Cb 0.58 -2.34 -0.00 0.00 0.11 0.00 0.00 30.24 28.59 1y1c n GLN 11 CO 0.00 0.00 0.00 0.98 -1.44 0.00 0.00 177.06 176.60 1y1c n TYR 12 N 4.01 0.00 -3.38 1.08 9.36 -1.26 -4.75 117.16 122.22 1y1c n TYR 12 Ca 0.40 0.00 -0.27 0.00 3.32 0.00 0.00 57.90 61.35 1y1c n TYR 12 Cb 0.18 -0.00 -0.08 0.00 -0.63 0.00 0.00 39.34 38.81 1y1c n TYR 12 CO 0.00 0.00 0.00 -3.47 0.22 0.00 0.00 176.86 173.61 1y1c n ASP 13 N 0.03 3.74 -4.55 2.98 2.03 0.27 -5.04 116.55 116.02 1y1c n ASP 13 Ca 0.00 -3.45 -0.38 0.00 0.52 0.00 0.00 54.79 51.48 1y1c n ASP 13 Cb 0.00 -0.66 -0.04 0.00 -0.72 0.00 0.00 41.12 39.70 1y1c n ASP 13 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 1y1c n PRO 14 N 0.78 1.10 -3.71 -0.67 -0.04 -0.83 -3.30 135.00 128.33 1y1c n PRO 14 Ca 0.30 0.08 -0.35 0.00 -0.04 0.00 0.00 63.50 63.49 1y1c n PRO 14 Cb 0.41 -3.24 -0.08 0.00 -0.04 0.00 0.00 33.50 30.55 1y1c n PRO 14 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1y1c s VAL 15 N 11.29 5.40 -0.26 0.52 -7.23 0.28 -0.18 120.40 130.22 1y1c s VAL 15 Ca 1.02 0.23 -0.29 0.00 -1.81 0.00 0.00 61.98 61.13 1y1c s VAL 15 Cb -0.30 -3.49 0.01 0.00 0.56 0.00 0.00 36.38 33.16 1y1c s VAL 15 CO 0.30 0.44 1.09 0.00 -0.31 0.00 0.00 175.10 176.62 1y1c s GLY 17 N 1.54 1.82 -0.92 0.00 0.00 0.03 -0.38 107.32 109.41 1y1c s GLY 17 Ca 0.46 -0.80 -0.22 0.00 0.00 0.00 0.00 44.72 44.16 1y1c s GLY 17 CO 0.11 -0.38 2.44 -1.26 0.00 0.00 0.00 173.10 174.01 1y1c n SER 18 N 2.64 0.01 0.00 1.64 2.88 0.14 -1.94 113.62 118.99 1y1c n SER 18 Ca -0.18 -0.33 0.00 0.00 -1.33 0.00 0.00 58.87 57.03 1y1c n SER 18 Cb 0.53 -0.92 0.00 0.00 -0.75 0.00 0.00 64.21 63.07 1y1c n SER 18 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 1y1c n ASP 19 N 10.07 0.00 0.00 -3.46 9.92 -1.26 -2.83 116.55 129.00 1y1c n ASP 19 Ca 0.62 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.88 1y1c n ASP 19 Cb 0.17 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.65 1y1c n ASP 19 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1y1c n GLY 20 N 0.00 1.79 3.23 0.44 0.00 -0.82 -5.11 105.19 104.72 1y1c n GLY 20 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 1y1c n GLY 20 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1y1c s ILE 21 N -2.00 1.68 -0.53 -0.61 -1.09 -1.20 -5.01 121.20 112.44 1y1c s ILE 21 Ca 0.00 -0.95 -0.14 0.00 -2.23 0.00 0.00 60.65 57.33 1y1c s ILE 21 Cb 0.00 -1.40 0.13 0.00 -1.58 0.00 0.00 42.46 39.61 1y1c s ILE 21 CO 0.00 0.44 0.47 -0.89 -1.23 0.00 0.00 174.94 173.73 1y1c s THR 22 N -0.54 4.96 -0.22 2.92 2.01 -1.26 -0.79 115.64 122.73 1y1c s THR 22 Ca 0.08 -1.61 -0.27 0.00 0.31 0.00 0.00 61.69 60.20 1y1c s THR 22 Cb -0.08 -4.20 0.00 0.00 0.01 0.00 0.00 72.50 68.23 1y1c s THR 22 CO -0.00 -0.85 0.96 -0.31 -0.69 0.00 0.00 174.62 173.72 1y1c s TYR 23 N 1.49 3.35 0.59 4.92 1.51 0.73 -4.77 117.35 125.17 1y1c s TYR 23 Ca 0.04 1.36 0.34 0.00 -1.01 0.00 0.00 57.07 57.81 1y1c s TYR 23 Cb -0.28 -3.17 1.22 0.00 -0.11 0.00 0.00 41.96 39.61 1y1c s TYR 23 CO 0.02 -0.41 1.44 0.78 -1.11 0.00 0.00 175.55 176.26 1y1c h GLY 24 N 9.15 0.00 -4.64 0.71 0.00 -1.85 0.80 103.07 107.23 1y1c h GLY 24 Ca -0.22 0.00 0.02 0.00 0.00 0.00 0.00 47.33 47.13 1y1c h GLY 24 CO 0.92 0.00 0.37 -1.31 0.00 0.00 0.00 176.54 176.53 1y1c s ASN 25 N -3.74 -0.52 0.57 0.19 0.01 -1.21 -0.57 114.94 109.68 1y1c s ASN 25 Ca -0.04 0.75 0.32 0.00 -0.71 0.00 0.00 52.86 53.18 1y1c s ASN 25 Cb 0.18 0.67 1.42 0.00 0.41 0.00 0.00 41.25 43.94 1y1c s ASN 25 CO 0.62 -0.35 1.77 0.00 -1.51 0.00 0.00 177.10 177.63 1y1c h ALA 26 N 3.42 2.67 0.01 0.60 0.00 -1.77 0.63 119.26 124.82 1y1c h ALA 26 Ca -0.24 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.64 1y1c h ALA 26 Cb 1.16 0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1y1c h ALA 26 CO 0.24 -1.16 -0.01 0.00 0.00 0.00 0.00 179.25 178.33 1y1c h MET 28 N -0.84 0.35 0.00 0.00 2.86 -0.20 2.07 114.93 119.17 1y1c h MET 28 Ca -0.00 -0.02 0.02 0.00 -2.06 0.00 0.00 59.70 57.64 1y1c h MET 28 Cb 0.78 -0.08 -0.03 0.00 0.06 0.00 0.00 31.60 32.34 1y1c h MET 28 CO 0.00 0.23 -0.15 1.25 1.06 0.00 0.00 176.91 179.30 1y1c h LEU 29 N 0.36 -0.44 -1.76 1.22 6.46 -0.14 0.30 115.31 121.32 1y1c h LEU 29 Ca 0.66 0.06 0.32 0.00 -0.12 0.00 0.00 57.88 58.81 1y1c h LEU 29 Cb 1.67 0.18 -0.07 0.00 -0.73 0.00 0.00 40.66 41.72 1y1c h LEU 29 CO -0.38 -0.21 0.80 -0.07 -0.62 0.00 0.00 178.44 177.96 1y1c h LEU 30 N -0.25 0.16 -0.45 2.25 3.38 0.43 3.22 115.31 124.05 1y1c h LEU 30 Ca 0.05 0.03 -0.18 0.00 0.09 0.00 0.00 57.88 57.88 1y1c h LEU 30 Cb 0.31 0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.07 1y1c h LEU 30 CO -0.15 0.02 -0.74 0.00 0.09 0.00 0.00 178.44 177.66 1y1c h ALA 32 N 1.04 -0.85 -0.27 0.00 0.00 0.75 -1.08 119.26 118.84 1y1c h ALA 32 Ca -0.03 -0.17 0.08 0.00 0.00 0.00 0.00 54.91 54.79 1y1c h ALA 32 Cb 1.31 0.30 -0.01 0.00 0.00 0.00 0.00 17.79 19.39 1y1c h ALA 32 CO 0.12 -0.80 0.53 1.03 0.00 0.00 0.00 179.25 180.13 1y1c h SER 33 N -1.07 0.00 0.15 0.00 0.87 -0.05 1.35 113.55 114.81 1y1c h SER 33 Ca -0.08 0.00 -0.28 0.00 -1.23 0.00 0.00 61.79 60.20 1y1c h SER 33 Cb 0.59 0.00 0.03 0.00 -0.44 0.00 0.00 62.40 62.58 1y1c h SER 33 CO 0.13 0.00 -1.19 0.00 -0.53 0.00 0.00 176.83 175.23 1y1c h ALA 34 N 1.19 -0.06 -0.07 6.23 0.00 -1.03 -3.43 119.26 122.09 1y1c h ALA 34 Ca 0.13 -0.77 -0.23 0.00 0.00 0.00 0.00 54.91 54.04 1y1c h ALA 34 Cb 1.19 0.12 -0.16 0.00 0.00 0.00 0.00 17.79 18.94 1y1c h ALA 34 CO -0.00 0.61 -0.42 2.89 0.00 0.00 0.00 179.25 182.33 1y1c n ARG 35 N -3.86 1.16 0.00 0.00 -4.01 0.77 -5.04 116.66 105.67 1y1c n ARG 35 Ca -0.14 -1.92 0.00 0.00 -1.04 0.00 0.00 57.85 54.74 1y1c n ARG 35 Cb 0.97 -0.29 0.00 0.00 -3.04 0.00 0.00 32.46 30.10 1y1c n ARG 35 CO 0.00 0.00 0.00 0.45 -3.04 0.00 0.00 177.63 175.04 1y1c n SER 36 N -0.39 0.00 0.00 2.89 2.88 0.43 -4.88 113.62 114.55 1y1c n SER 36 Ca -0.00 0.01 0.00 0.00 -1.33 0.00 0.00 58.87 57.55 1y1c n SER 36 Cb 0.82 -0.05 0.00 0.00 -0.75 0.00 0.00 64.21 64.23 1y1c n SER 36 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 1y1c n ASP 37 N -1.38 0.00 -3.61 -3.46 -0.08 -1.26 -5.09 116.55 101.67 1y1c n ASP 37 Ca 0.00 0.00 -0.11 0.00 -1.51 0.00 0.00 54.79 53.17 1y1c n ASP 37 Cb 0.00 0.00 -0.04 0.00 2.34 0.00 0.00 41.12 43.42 1y1c n ASP 37 CO 0.00 0.00 0.00 -0.89 0.12 0.00 0.00 177.20 176.43 1y1c s THR 38 N -0.88 0.06 -0.70 5.18 2.01 -1.26 -5.09 115.64 114.95 1y1c s THR 38 Ca 0.00 -0.48 -0.25 0.00 0.31 0.00 0.00 61.69 61.27 1y1c s THR 38 Cb 0.00 -1.11 -0.13 0.00 0.01 0.00 0.00 72.50 71.27 1y1c s THR 38 CO 0.00 -0.27 2.41 -2.65 -0.69 0.00 0.00 174.62 173.43 1y1c n PRO 39 N -0.13 0.68 -2.16 4.92 -0.02 -1.26 -4.79 135.00 132.24 1y1c n PRO 39 Ca -0.17 -0.51 -0.32 0.00 -2.02 0.00 0.00 63.50 60.48 1y1c n PRO 39 Cb 0.63 -3.44 -0.00 0.00 -0.02 0.00 0.00 33.50 30.67 1y1c n PRO 39 CO 0.00 0.00 0.00 0.96 1.98 0.00 0.00 175.50 178.44 1y1c s ILE 40 N 13.21 4.05 -0.31 4.25 -0.00 -1.26 -4.95 121.20 136.19 1y1c s ILE 40 Ca 0.98 0.97 -0.01 0.00 -0.00 0.00 0.00 60.65 62.59 1y1c s ILE 40 Cb -0.21 -3.50 0.13 0.00 -0.00 0.00 0.00 42.46 38.88 1y1c s ILE 40 CO 0.17 -0.57 0.23 -1.61 -0.00 0.00 0.00 174.94 173.16 1y1c s GLU 41 N -4.09 0.34 0.33 0.37 2.02 -1.13 -4.82 118.70 111.72 1y1c s GLU 41 Ca 0.62 -0.53 -0.12 0.00 0.02 0.00 0.00 54.97 54.96 1y1c s GLU 41 Cb -0.14 -0.93 -0.10 0.00 0.10 0.00 0.00 34.13 33.06 1y1c s GLU 41 CO 0.35 -1.07 -0.07 -0.11 0.02 0.00 0.00 175.26 174.38 1y1c n LEU 42 N 4.99 -2.37 0.00 1.80 -0.00 -1.26 0.29 117.00 120.45 1y1c n LEU 42 Ca -0.00 0.44 0.00 0.00 -0.00 0.00 0.00 56.01 56.45 1y1c n LEU 42 Cb 0.43 -0.56 0.00 0.00 -0.00 0.00 0.00 43.42 43.29 1y1c n LEU 42 CO 0.05 -3.12 0.00 1.33 -0.00 0.00 0.00 177.39 175.64 1y1c n VAL 43 N -0.97 0.00 -3.67 1.96 0.24 0.48 -4.49 118.33 111.89 1y1c n VAL 43 Ca 0.05 0.00 -0.12 0.00 -2.04 0.00 0.00 64.34 62.24 1y1c n VAL 43 Cb 0.31 0.00 -0.12 0.00 -1.47 0.00 0.00 33.84 32.56 1y1c n VAL 43 CO 0.00 0.00 0.00 -1.38 -2.14 0.00 0.00 176.83 173.31 1y1c s HIS 44 N -1.00 -0.53 -0.63 6.34 0.00 -1.09 -5.02 115.29 113.35 1y1c s HIS 44 Ca 0.00 1.13 -0.21 0.00 -3.00 0.00 0.00 55.06 52.98 1y1c s HIS 44 Cb 0.00 0.08 -0.18 0.00 -4.00 0.00 0.00 32.58 28.48 1y1c s HIS 44 CO 0.00 -0.38 1.86 1.63 -1.00 0.00 0.00 174.74 176.85 1y1c n LYS 45 N 5.21 1.27 -3.24 -0.38 5.02 -1.26 0.83 118.16 125.61 1y1c n LYS 45 Ca -0.09 -1.63 0.00 0.00 -2.02 0.00 0.00 58.31 54.57 1y1c n LYS 45 Cb 0.50 -2.77 0.00 0.00 -0.02 0.00 0.00 35.03 32.74 1y1c n LYS 45 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1y1c n GLY 46 N 4.51 -1.04 2.34 0.72 0.00 0.75 -4.73 105.19 107.75 1y1c n GLY 46 Ca 0.47 -0.84 -0.37 0.00 0.00 0.00 0.00 46.02 45.28 1y1c n GLY 46 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1y1c n ARG 47 N 0.00 3.79 0.00 1.61 1.74 -1.26 -1.96 116.66 120.59 1y1c n ARG 47 Ca 0.00 -2.50 0.00 0.00 -0.77 0.00 0.00 57.85 54.58 1y1c n ARG 47 Cb 0.00 -2.65 0.00 0.00 -1.02 0.00 0.00 32.46 28.79 1y1c n ARG 47 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11