#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 1.41 -2.67 1.64 -0.04 -1.26 -3.94 135.00 130.14 1y1c n PRO 2 Ca 0.00 -0.80 -0.04 0.00 -0.04 0.00 0.00 63.50 62.62 1y1c n PRO 2 Cb 0.00 -1.31 0.08 0.00 -0.04 0.00 0.00 33.50 32.23 1y1c n PRO 2 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1y1c n ASP 3 N 0.88 -1.40 -4.67 3.54 -0.08 -1.26 -4.96 116.55 108.60 1y1c n ASP 3 Ca 0.15 -2.10 -0.36 0.00 -1.51 0.00 0.00 54.79 50.97 1y1c n ASP 3 Cb 0.55 1.22 -0.09 0.00 2.34 0.00 0.00 41.12 45.13 1y1c n ASP 3 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1y1c s ALA 4 N 0.08 3.61 1.00 -1.67 0.00 -1.25 -5.07 121.76 118.46 1y1c s ALA 4 Ca 0.17 -0.86 0.00 0.00 0.00 0.00 0.00 51.96 51.27 1y1c s ALA 4 Cb 0.25 -2.29 0.00 0.00 0.00 0.00 0.00 23.12 21.08 1y1c s ALA 4 CO -0.13 -0.14 0.00 -2.30 0.00 0.00 0.00 175.76 173.19 1y1c n PRO 5 N 4.17 -0.83 -2.43 0.00 -0.02 -1.26 -1.42 135.00 133.21 1y1c n PRO 5 Ca -0.15 0.00 -0.28 0.00 -2.02 0.00 0.00 63.50 61.04 1y1c n PRO 5 Cb 0.52 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.00 1y1c n PRO 5 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1y1c n ILE 7 N -0.48 -0.21 0.04 0.00 -0.00 -1.26 -4.77 119.36 112.68 1y1c n ILE 7 Ca 0.40 -3.47 -0.18 0.00 -0.00 0.00 0.00 62.75 59.51 1y1c n ILE 7 Cb 0.61 0.03 -0.14 0.00 -0.00 0.00 0.00 39.64 40.13 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 -3.44 0.00 -0.79 0.00 5.66 -1.26 -5.02 114.28 109.43 1y1c n THR 9 Ca -0.22 -0.10 0.07 0.00 -3.05 0.00 0.00 64.05 60.76 1y1c n THR 9 Cb 1.05 0.16 0.11 0.00 -1.55 0.00 0.00 70.33 70.11 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 -0.19 1.82 -0.72 1.09 2.81 -1.26 -4.85 117.12 115.83 1y1c n MET 10 Ca 0.00 -2.33 -0.21 0.00 -1.81 0.00 0.00 57.70 53.36 1y1c n MET 10 Cb 0.14 -1.40 -0.02 0.00 -0.71 0.00 0.00 33.22 31.23 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 -1.12 2.00 0.00 0.03 1.13 -1.26 -4.82 117.38 113.34 1y1c n GLN 11 Ca 0.12 -1.38 0.00 0.00 -1.94 0.00 0.00 57.00 53.80 1y1c n GLN 11 Cb 0.56 -2.40 0.00 0.00 0.11 0.00 0.00 30.24 28.51 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 4.09 0.00 -3.35 1.08 9.36 -1.26 -4.75 117.16 122.32 1y1c n TYR 12 Ca 0.43 0.00 -0.28 0.00 3.32 0.00 0.00 57.90 61.36 1y1c n TYR 12 Cb 0.16 0.00 -0.07 0.00 -0.63 0.00 0.00 39.34 38.80 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 0.00 4.03 -4.55 2.98 2.03 0.15 -5.03 116.55 116.16 1y1c n ASP 13 Ca 0.00 -3.47 -0.24 0.00 0.52 0.00 0.00 54.79 51.60 1y1c n ASP 13 Cb 0.00 -0.71 -0.06 0.00 -0.72 0.00 0.00 41.12 39.64 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 0.79 0.75 -3.65 -0.67 -0.04 -0.74 -3.05 135.00 128.40 1y1c n PRO 14 Ca 0.30 -0.43 -0.36 0.00 -0.04 0.00 0.00 63.50 62.96 1y1c n PRO 14 Cb 0.40 -3.49 -0.09 0.00 -0.04 0.00 0.00 33.50 30.29 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 13.27 5.36 -0.16 0.52 -7.23 0.34 -1.05 120.40 131.45 1y1c s VAL 15 Ca 0.97 0.25 -0.29 0.00 -1.81 0.00 0.00 61.98 61.09 1y1c s VAL 15 Cb -0.19 -3.52 -0.01 0.00 0.56 0.00 0.00 36.38 33.23 1y1c s VAL 15 CO 0.18 0.37 1.10 0.00 -0.31 0.00 0.00 175.10 176.44 1y1c s GLY 17 N 1.36 1.83 -0.80 0.00 0.00 0.81 0.02 107.32 110.55 1y1c s GLY 17 Ca 0.49 -0.99 -0.24 0.00 0.00 0.00 0.00 44.72 43.98 1y1c s GLY 17 CO 0.13 -0.86 2.43 -1.26 0.00 0.00 0.00 173.10 173.54 1y1c n SER 18 N 1.40 0.88 0.00 1.64 2.88 0.20 -2.10 113.62 118.52 1y1c n SER 18 Ca -0.15 -0.60 0.00 0.00 -1.33 0.00 0.00 58.87 56.79 1y1c n SER 18 Cb 0.53 -1.22 0.00 0.00 -0.75 0.00 0.00 64.21 62.77 1y1c n SER 18 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 1y1c n ASP 19 N 13.11 0.00 0.00 -3.46 -0.08 -1.26 -2.94 116.55 121.92 1y1c n ASP 19 Ca 0.53 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.81 1y1c n ASP 19 Cb 0.30 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.76 1y1c n ASP 19 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1y1c n GLY 20 N 0.00 1.62 3.00 0.27 0.00 -0.89 -5.14 105.19 104.05 1y1c n GLY 20 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 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 0.25 -0.48 -0.61 1.01 -1.21 -5.02 121.20 113.15 1y1c s ILE 21 Ca 0.00 -0.93 -0.09 0.00 0.00 0.00 0.00 60.65 59.64 1y1c s ILE 21 Cb 0.00 -0.37 0.12 0.00 0.01 0.00 0.00 42.46 42.22 1y1c s ILE 21 CO 0.00 -0.44 0.34 -0.89 0.00 0.00 0.00 174.94 173.96 1y1c s THR 22 N -1.37 4.14 -0.17 2.92 2.01 -1.26 -0.13 115.64 121.79 1y1c s THR 22 Ca -0.13 -1.86 -0.27 0.00 0.31 0.00 0.00 61.69 59.74 1y1c s THR 22 Cb -0.10 -3.74 -0.01 0.00 0.01 0.00 0.00 72.50 68.67 1y1c s THR 22 CO -0.00 -0.78 0.93 -0.31 -0.69 0.00 0.00 174.62 173.77 1y1c s TYR 23 N 1.28 3.42 0.59 4.92 2.02 0.12 -4.72 117.35 124.99 1y1c s TYR 23 Ca 0.06 1.40 0.37 0.00 -0.37 0.00 0.00 57.07 58.53 1y1c s TYR 23 Cb -0.25 -3.12 1.28 0.00 -0.40 0.00 0.00 41.96 39.46 1y1c s TYR 23 CO -0.01 -0.30 1.42 0.78 -1.57 0.00 0.00 175.55 175.87 1y1c h GLY 24 N 8.52 0.00 -4.59 0.71 0.00 -1.85 0.97 103.07 106.83 1y1c h GLY 24 Ca -0.27 0.00 0.01 0.00 0.00 0.00 0.00 47.33 47.07 1y1c h GLY 24 CO 0.88 0.00 0.34 -1.31 0.00 0.00 0.00 176.54 176.45 1y1c s ASN 25 N -3.64 -0.54 0.57 0.19 0.01 -1.17 0.32 114.94 110.68 1y1c s ASN 25 Ca -0.04 0.78 0.32 0.00 -0.71 0.00 0.00 52.86 53.21 1y1c s ASN 25 Cb 0.20 0.69 1.44 0.00 0.41 0.00 0.00 41.25 44.00 1y1c s ASN 25 CO 0.66 -0.37 1.79 0.00 -1.51 0.00 0.00 177.10 177.67 1y1c h ALA 26 N 3.45 2.71 0.00 0.60 0.00 -1.77 0.71 119.26 124.97 1y1c h ALA 26 Ca -0.25 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.63 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 0.25 -1.17 -0.00 0.00 0.00 0.00 0.00 179.25 178.33 1y1c h MET 28 N -0.83 0.42 -0.07 0.00 2.86 -0.03 1.85 114.93 119.13 1y1c h MET 28 Ca -0.00 -0.03 0.04 0.00 -2.06 0.00 0.00 59.70 57.66 1y1c h MET 28 Cb 0.82 -0.10 -0.06 0.00 0.06 0.00 0.00 31.60 32.33 1y1c h MET 28 CO 0.00 0.28 -0.29 1.25 1.06 0.00 0.00 176.91 179.21 1y1c h LEU 29 N 0.44 -0.89 -1.75 1.22 6.46 -0.05 0.78 115.31 121.52 1y1c h LEU 29 Ca 0.69 0.13 0.31 0.00 -0.12 0.00 0.00 57.88 58.89 1y1c h LEU 29 Cb 1.49 0.37 -0.07 0.00 -0.73 0.00 0.00 40.66 41.73 1y1c h LEU 29 CO -0.53 -0.35 0.77 -0.07 -0.62 0.00 0.00 178.44 177.64 1y1c h LEU 30 N -0.40 0.17 -0.50 2.25 3.38 0.35 3.02 115.31 123.58 1y1c h LEU 30 Ca 0.08 0.03 -0.17 0.00 0.09 0.00 0.00 57.88 57.92 1y1c h LEU 30 Cb 0.52 0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.27 1y1c h LEU 30 CO -0.30 0.03 -0.71 0.00 0.09 0.00 0.00 178.44 177.54 1y1c h ALA 32 N 1.11 -0.98 0.00 0.00 0.00 0.86 0.68 119.26 120.93 1y1c h ALA 32 Ca -0.02 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.67 1y1c h ALA 32 Cb 1.27 0.38 0.00 0.00 0.00 0.00 0.00 17.79 19.44 1y1c h ALA 32 CO 0.11 -0.91 0.18 1.03 0.00 0.00 0.00 179.25 179.66 1y1c h SER 33 N -1.26 0.00 0.00 0.00 0.87 -0.45 0.52 113.55 113.23 1y1c h SER 33 Ca -0.10 0.00 -0.03 0.00 -1.23 0.00 0.00 61.79 60.43 1y1c h SER 33 Cb 0.75 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.71 1y1c h SER 33 CO 0.16 0.00 -0.20 0.00 -0.53 0.00 0.00 176.83 176.27 1y1c h ALA 34 N 1.63 0.03 -0.70 6.23 0.00 -0.90 -3.39 119.26 122.16 1y1c h ALA 34 Ca 0.00 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.50 1y1c h ALA 34 Cb 0.36 0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.28 1y1c h ALA 34 CO 0.00 0.13 0.00 2.89 0.00 0.00 0.00 179.25 182.27 1y1c n ARG 35 N -4.65 3.15 0.00 0.00 0.00 0.19 -4.85 116.66 110.50 1y1c n ARG 35 Ca -0.09 -2.76 0.00 0.00 -0.00 0.00 0.00 57.85 55.00 1y1c n ARG 35 Cb 0.31 -1.70 0.00 0.00 -0.00 0.00 0.00 32.46 31.07 1y1c n ARG 35 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 1y1c n SER 36 N 1.43 0.00 0.00 2.89 2.88 0.18 -5.03 113.62 115.97 1y1c n SER 36 Ca 0.25 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.79 1y1c n SER 36 Cb 0.73 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.19 1y1c n SER 36 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 1y1c n ASP 37 N 0.00 0.00 -3.56 -3.46 5.75 -1.26 -5.06 116.55 108.96 1y1c n ASP 37 Ca 0.00 0.00 -0.16 0.00 -0.01 0.00 0.00 54.79 54.62 1y1c n ASP 37 Cb 0.00 0.00 -0.06 0.00 -1.03 0.00 0.00 41.12 40.03 1y1c n ASP 37 CO 0.00 0.00 0.00 0.42 -0.11 0.00 0.00 177.20 177.51 1y1c s THR 38 N 0.00 0.00 -1.15 2.12 -4.23 -1.26 -5.09 115.64 106.02 1y1c s THR 38 Ca 0.00 0.00 -0.21 0.00 -1.18 0.00 0.00 61.69 60.30 1y1c s THR 38 Cb 0.00 -1.00 0.05 0.00 1.34 0.00 0.00 72.50 72.89 1y1c s THR 38 CO 0.00 0.00 1.61 -2.16 -0.54 0.00 0.00 174.62 173.53 1y1c s PRO 39 N -0.63 3.72 0.72 3.99 0.04 -1.26 -4.58 135.00 136.99 1y1c s PRO 39 Ca -0.06 -1.51 -0.15 0.00 0.04 0.00 0.00 61.00 59.31 1y1c s PRO 39 Cb -0.02 -5.43 0.03 0.00 0.04 0.00 0.00 34.50 29.12 1y1c s PRO 39 CO 0.06 -2.31 1.22 0.96 0.04 0.00 0.00 177.00 176.96 1y1c s ILE 40 N 4.92 2.28 -0.27 0.56 -0.00 -1.26 -5.00 121.20 122.42 1y1c s ILE 40 Ca 0.51 0.14 -0.03 0.00 -0.00 0.00 0.00 60.65 61.27 1y1c s ILE 40 Cb 0.02 -2.76 0.09 0.00 -0.00 0.00 0.00 42.46 39.81 1y1c s ILE 40 CO -0.01 -0.07 0.10 -1.61 -0.00 0.00 0.00 174.94 173.36 1y1c s GLU 41 N -3.84 0.39 0.22 0.37 2.02 -1.15 -4.83 118.70 111.89 1y1c s GLU 41 Ca 0.75 -0.64 -0.08 0.00 0.02 0.00 0.00 54.97 55.02 1y1c s GLU 41 Cb -0.30 -1.60 -0.07 0.00 0.10 0.00 0.00 34.13 32.27 1y1c s GLU 41 CO 0.44 -0.93 -0.05 1.28 0.02 0.00 0.00 175.26 176.02 1y1c n LEU 42 N 5.11 -1.62 0.00 1.80 7.99 -1.26 0.60 117.00 129.61 1y1c n LEU 42 Ca -0.05 0.30 0.00 0.00 -0.01 0.00 0.00 56.01 56.25 1y1c n LEU 42 Cb 0.43 -0.38 0.00 0.00 -0.11 0.00 0.00 43.42 43.36 1y1c n LEU 42 CO 0.08 -2.13 0.00 0.52 -1.51 0.00 0.00 177.39 174.35 1y1c n VAL 43 N -0.67 0.00 -3.67 4.08 0.31 0.10 -4.37 118.33 114.12 1y1c n VAL 43 Ca 0.04 0.00 -0.09 0.00 -0.01 0.00 0.00 64.34 64.28 1y1c n VAL 43 Cb 0.21 0.00 -0.10 0.00 -0.91 0.00 0.00 33.84 33.04 1y1c n VAL 43 CO 0.00 0.00 0.00 -1.38 -1.32 0.00 0.00 176.83 174.13 1y1c s HIS 44 N -1.00 -0.76 -0.80 3.52 0.00 -0.90 -5.02 115.29 110.34 1y1c s HIS 44 Ca 0.00 1.49 -0.15 0.00 -3.00 0.00 0.00 55.06 53.40 1y1c s HIS 44 Cb 0.00 0.31 -0.11 0.00 -4.00 0.00 0.00 32.58 28.78 1y1c s HIS 44 CO 0.00 -0.44 1.97 0.36 -1.00 0.00 0.00 174.74 175.62 1y1c n LYS 45 N 5.01 1.68 -3.05 -0.38 2.85 -1.26 0.91 118.16 123.92 1y1c n LYS 45 Ca -0.14 -1.63 0.00 0.00 -1.05 0.00 0.00 58.31 55.49 1y1c n LYS 45 Cb 0.51 -2.69 0.00 0.00 -0.65 0.00 0.00 35.03 32.20 1y1c n LYS 45 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1y1c n GLY 46 N 4.20 -1.09 2.28 2.58 0.00 -0.21 -4.79 105.19 108.15 1y1c n GLY 46 Ca 0.46 -0.78 -0.30 0.00 0.00 0.00 0.00 46.02 45.40 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 3.23 -0.03 1.61 1.74 -1.26 -2.30 116.66 119.66 1y1c n ARG 47 Ca 0.00 -2.13 0.00 0.00 -0.77 0.00 0.00 57.85 54.95 1y1c n ARG 47 Cb 0.00 -2.45 0.00 0.00 -1.02 0.00 0.00 32.46 28.99 1y1c n ARG 47 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11