#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1y1b n PRO 2 N 0.00 -1.32 -3.59 -1.58 -0.04 -1.26 -5.10 135.00 122.11 1y1b n PRO 2 Ca 0.00 0.00 0.01 0.00 -0.04 0.00 0.00 63.50 63.47 1y1b n PRO 2 Cb 0.00 0.00 -0.01 0.00 -0.04 0.00 0.00 33.50 33.45 1y1b n PRO 2 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1y1b s ASP 3 N -1.71 -0.02 -0.09 3.54 2.15 -1.25 -4.96 116.67 114.34 1y1b s ASP 3 Ca 0.00 -0.02 -0.16 0.00 0.43 0.00 0.00 52.55 52.80 1y1b s ASP 3 Cb 0.00 0.03 -0.05 0.00 -0.30 0.00 0.00 42.92 42.60 1y1b s ASP 3 CO 0.00 -0.06 0.41 0.00 -0.17 0.00 0.00 175.17 175.35 1y1b n PRO 5 N 3.05 -0.12 -3.15 0.00 -0.04 -1.26 -4.88 135.00 128.60 1y1b n PRO 5 Ca -0.10 0.00 -0.25 0.00 -0.04 0.00 0.00 63.50 63.10 1y1b n PRO 5 Cb 0.52 0.00 -0.05 0.00 -0.04 0.00 0.00 33.50 33.93 1y1b n PRO 5 CO 0.00 0.00 0.00 1.47 -0.04 0.00 0.00 175.50 176.93 1y1b n LEU 6 N 0.00 3.18 -2.06 1.53 -0.00 -1.26 -4.97 117.00 113.42 1y1b n LEU 6 Ca 0.00 -5.39 -0.01 0.00 -0.00 0.00 0.00 56.01 50.60 1y1b n LEU 6 Cb 0.00 -0.24 -0.01 0.00 -0.00 0.00 0.00 43.42 43.17 1y1b n LEU 6 CO 0.00 2.23 -0.28 -0.38 -0.00 0.00 0.00 177.39 178.96 1y1b n ILE 7 N 0.34 -7.34 0.00 1.47 -0.00 -1.26 -5.05 119.36 107.52 1y1b n ILE 7 Ca 0.29 1.12 0.00 0.00 -0.00 0.00 0.00 62.75 64.16 1y1b n ILE 7 Cb 0.46 -5.23 0.00 0.00 -0.00 0.00 0.00 39.64 34.87 1y1b n ILE 7 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 1y1b s THR 9 N -0.00 0.00 -0.67 0.00 -1.32 -1.26 -5.04 115.64 107.34 1y1b s THR 9 Ca 0.00 -1.36 0.16 0.00 -1.21 0.00 0.00 61.69 59.28 1y1b s THR 9 Cb 0.00 -2.35 0.65 0.00 -1.51 0.00 0.00 72.50 69.29 1y1b s THR 9 CO 0.00 0.00 1.57 0.23 -2.21 0.00 0.00 174.62 174.21 1y1b n MET 10 N -0.44 3.72 -0.89 7.08 0.00 -1.26 -4.75 117.12 120.59 1y1b n MET 10 Ca -0.02 -2.85 -0.26 0.00 0.00 0.00 0.00 57.70 54.57 1y1b n MET 10 Cb 0.61 -1.90 -0.02 0.00 0.00 0.00 0.00 33.22 31.91 1y1b n MET 10 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 175.97 177.01 1y1b n GLN 11 N 0.55 2.49 -0.42 0.03 6.02 -1.26 -4.85 117.38 119.93 1y1b n GLN 11 Ca 0.24 -1.62 -0.08 0.00 -0.01 0.00 0.00 57.00 55.53 1y1b n GLN 11 Cb 0.91 -2.52 -0.06 0.00 1.02 0.00 0.00 30.24 29.60 1y1b n GLN 11 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 1y1b n TYR 12 N 3.97 0.05 -3.20 1.08 4.02 -1.26 -4.77 117.16 117.04 1y1b n TYR 12 Ca 0.53 0.03 -0.26 0.00 -0.01 0.00 0.00 57.90 58.19 1y1b n TYR 12 Cb 0.18 -0.30 -0.06 0.00 -0.02 0.00 0.00 39.34 39.14 1y1b n TYR 12 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 176.86 172.38 1y1b n ASP 13 N 1.97 3.76 -4.52 7.72 -0.08 -0.11 -5.04 116.55 120.25 1y1b n ASP 13 Ca 0.19 -3.49 -0.32 0.00 -1.51 0.00 0.00 54.79 49.66 1y1b n ASP 13 Cb 0.03 -0.62 -0.12 0.00 2.34 0.00 0.00 41.12 42.75 1y1b n ASP 13 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 1y1b n PRO 14 N 0.40 0.40 -4.17 -0.67 -0.04 -1.17 -3.75 135.00 126.00 1y1b n PRO 14 Ca 0.30 -0.13 -0.34 0.00 -0.04 0.00 0.00 63.50 63.28 1y1b n PRO 14 Cb 0.42 -2.33 -0.10 0.00 -0.04 0.00 0.00 33.50 31.45 1y1b n PRO 14 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1y1b s VAL 15 N 9.23 4.49 -0.16 0.52 -7.23 0.22 -1.16 120.40 126.31 1y1b s VAL 15 Ca 1.17 -0.15 -0.29 0.00 -1.81 0.00 0.00 61.98 60.90 1y1b s VAL 15 Cb -0.69 -2.99 -0.01 0.00 0.56 0.00 0.00 36.38 33.26 1y1b s VAL 15 CO 0.37 0.50 1.12 0.00 -0.31 0.00 0.00 175.10 176.78 1y1b s GLY 17 N 1.43 1.96 -0.87 0.00 0.00 0.16 -1.15 107.32 108.85 1y1b s GLY 17 Ca 0.50 -0.83 -0.21 0.00 0.00 0.00 0.00 44.72 44.18 1y1b s GLY 17 CO 0.13 -0.65 2.38 1.44 0.00 0.00 0.00 173.10 176.41 1y1b n SER 18 N 1.64 0.31 0.00 1.64 7.64 0.47 -1.33 113.62 123.99 1y1b n SER 18 Ca -0.16 -0.61 0.00 0.00 1.01 0.00 0.00 58.87 59.11 1y1b n SER 18 Cb 0.53 -1.06 0.00 0.00 -1.01 0.00 0.00 64.21 62.67 1y1b n SER 18 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1y1b n ASP 19 N 11.51 0.00 0.00 6.43 2.03 -1.26 -3.04 116.55 132.22 1y1b n ASP 19 Ca 0.58 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.89 1y1b n ASP 19 Cb 0.25 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.65 1y1b n ASP 19 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1y1b n GLY 20 N 0.00 1.65 2.89 0.27 0.00 -0.44 -5.13 105.19 104.42 1y1b n GLY 20 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 1y1b n GLY 20 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1y1b s ILE 21 N -2.00 -0.00 -0.58 -0.61 -1.09 -1.20 -4.99 121.20 110.73 1y1b s ILE 21 Ca 0.00 0.01 -0.19 0.00 -2.23 0.00 0.00 60.65 58.25 1y1b s ILE 21 Cb 0.00 -0.05 0.10 0.00 -1.58 0.00 0.00 42.46 40.93 1y1b s ILE 21 CO 0.00 0.01 0.68 -0.89 -1.23 0.00 0.00 174.94 173.51 1y1b s THR 22 N 0.08 4.84 0.16 2.92 2.01 -1.26 0.38 115.64 124.78 1y1b s THR 22 Ca -0.01 -0.93 -0.26 0.00 0.31 0.00 0.00 61.69 60.81 1y1b s THR 22 Cb -0.01 -4.45 -0.08 0.00 0.01 0.00 0.00 72.50 67.97 1y1b s THR 22 CO -0.00 -1.07 0.79 -0.31 -0.69 0.00 0.00 174.62 173.34 1y1b s TYR 23 N 2.64 3.91 0.66 4.92 1.51 0.16 -4.72 117.35 126.43 1y1b s TYR 23 Ca 0.12 1.65 0.21 0.00 -1.01 0.00 0.00 57.07 58.03 1y1b s TYR 23 Cb -0.24 -2.78 1.09 0.00 -0.11 0.00 0.00 41.96 39.92 1y1b s TYR 23 CO 0.07 0.50 1.61 0.78 -1.11 0.00 0.00 175.55 177.40 1y1b h GLY 24 N 4.38 0.00 -4.82 0.71 0.00 -1.85 0.62 103.07 102.11 1y1b h GLY 24 Ca -0.47 0.00 0.23 0.00 0.00 0.00 0.00 47.33 47.09 1y1b h GLY 24 CO 0.66 0.00 0.92 -1.31 0.00 0.00 0.00 176.54 176.81 1y1b s ASN 25 N -4.01 -0.07 0.55 0.19 0.01 -1.25 -0.93 114.94 109.43 1y1b s ASN 25 Ca -0.02 0.07 0.31 0.00 -0.71 0.00 0.00 52.86 52.51 1y1b s ASN 25 Cb 0.07 0.06 1.47 0.00 0.41 0.00 0.00 41.25 43.26 1y1b s ASN 25 CO 0.22 -0.07 1.87 0.00 -1.51 0.00 0.00 177.10 177.62 1y1b h ALA 26 N 2.10 2.73 -0.10 0.60 0.00 -1.81 0.59 119.26 123.36 1y1b h ALA 26 Ca -0.09 -0.03 -0.14 0.00 0.00 0.00 0.00 54.91 54.66 1y1b h ALA 26 Cb 1.18 0.06 0.01 0.00 0.00 0.00 0.00 17.79 19.04 1y1b h ALA 26 CO 0.23 -1.06 -0.47 0.00 0.00 0.00 0.00 179.25 177.95 1y1b h MET 28 N 0.08 0.00 0.54 0.00 2.86 -0.32 -2.65 114.93 115.44 1y1b h MET 28 Ca -0.03 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.58 1y1b h MET 28 Cb 1.11 0.00 0.01 0.00 0.06 0.00 0.00 31.60 32.78 1y1b h MET 28 CO 0.10 0.00 -0.26 1.25 1.06 0.00 0.00 176.91 179.06 1y1b h LEU 29 N 0.00 -0.62 -1.69 1.22 6.46 -0.42 0.41 115.31 120.67 1y1b h LEU 29 Ca 0.00 -0.00 0.36 0.00 -0.12 0.00 0.00 57.88 58.12 1y1b h LEU 29 Cb 0.17 0.16 -0.08 0.00 -0.73 0.00 0.00 40.66 40.18 1y1b h LEU 29 CO 0.00 -0.21 0.85 -0.07 -0.62 0.00 0.00 178.44 178.39 1y1b h LEU 30 N -1.16 0.18 -0.30 2.25 3.38 -1.29 2.69 115.31 121.07 1y1b h LEU 30 Ca -0.07 0.05 -0.20 0.00 0.09 0.00 0.00 57.88 57.75 1y1b h LEU 30 Cb 0.59 0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.37 1y1b h LEU 30 CO 0.12 -0.01 -0.73 1.23 0.09 0.00 0.00 178.44 179.15 1y1b h GLY 31 N 0.14 0.69 0.56 0.83 0.00 -1.38 -1.86 103.07 102.05 1y1b h GLY 31 Ca 0.66 -0.95 -0.01 0.00 0.00 0.00 0.00 47.33 47.03 1y1b h GLY 31 CO -0.18 0.85 -0.12 0.00 0.00 0.00 0.00 176.54 177.09 1y1b h ALA 32 N 0.75 -0.34 -0.04 3.60 0.00 0.65 -2.74 119.26 121.15 1y1b h ALA 32 Ca -0.03 -0.20 0.01 0.00 0.00 0.00 0.00 54.91 54.69 1y1b h ALA 32 Cb 1.33 0.13 -0.00 0.00 0.00 0.00 0.00 17.79 19.25 1y1b h ALA 32 CO 0.14 -0.47 0.04 1.03 0.00 0.00 0.00 179.25 179.99 1y1b h SER 33 N -0.78 0.00 0.63 0.00 0.87 0.65 0.52 113.55 115.43 1y1b h SER 33 Ca -0.03 0.00 -0.19 0.00 -1.23 0.00 0.00 61.79 60.34 1y1b h SER 33 Cb 0.51 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.45 1y1b h SER 33 CO 0.06 0.00 -0.84 0.00 -0.53 0.00 0.00 176.83 175.52 1y1b n ARG 35 N -3.65 2.95 0.00 0.00 1.85 -0.41 -4.81 116.66 112.59 1y1b n ARG 35 Ca -0.03 -2.35 0.00 0.00 -1.00 0.00 0.00 57.85 54.47 1y1b n ARG 35 Cb 0.79 -1.46 0.00 0.00 -1.05 0.00 0.00 32.46 30.73 1y1b n ARG 35 CO 0.00 0.00 0.00 0.45 -0.01 0.00 0.00 177.63 178.07 1y1b n SER 36 N 0.64 0.00 0.00 2.89 2.88 0.17 -5.04 113.62 115.16 1y1b n SER 36 Ca 0.17 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.71 1y1b n SER 36 Cb 0.57 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.03 1y1b n SER 36 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 1y1b n ASP 37 N 0.00 0.00 -4.28 -3.46 -0.08 -1.26 -5.08 116.55 102.40 1y1b n ASP 37 Ca 0.00 0.00 -0.16 0.00 -1.51 0.00 0.00 54.79 53.12 1y1b n ASP 37 Cb 0.00 0.00 -0.10 0.00 2.34 0.00 0.00 41.12 43.36 1y1b n ASP 37 CO 0.00 0.00 0.00 0.28 0.12 0.00 0.00 177.20 177.60 1y1b s THR 38 N -0.61 1.39 -0.83 5.18 -1.32 -1.26 -5.06 115.64 113.13 1y1b s THR 38 Ca 0.00 -2.03 -0.26 0.00 -1.21 0.00 0.00 61.69 58.19 1y1b s THR 38 Cb 0.00 -1.84 -0.12 0.00 -1.51 0.00 0.00 72.50 69.03 1y1b s THR 38 CO 0.00 -0.62 2.30 -2.84 -2.21 0.00 0.00 174.62 171.25 1y1b s PRO 39 N -3.46 1.78 0.53 7.08 0.02 -1.26 -4.81 135.00 134.87 1y1b s PRO 39 Ca 0.17 0.29 -0.20 0.00 0.02 0.00 0.00 61.00 61.28 1y1b s PRO 39 Cb -0.00 -4.85 -0.07 0.00 0.02 0.00 0.00 34.50 29.60 1y1b s PRO 39 CO 0.03 -4.27 1.11 0.42 -0.33 0.00 0.00 177.00 173.96 1y1b s ILE 40 N 13.91 3.31 0.27 2.83 1.01 -1.26 -5.01 121.20 136.26 1y1b s ILE 40 Ca 0.88 0.83 0.04 0.00 0.00 0.00 0.00 60.65 62.39 1y1b s ILE 40 Cb -0.11 -3.34 -0.01 0.00 0.01 0.00 0.00 42.46 39.01 1y1b s ILE 40 CO 0.06 -0.17 0.13 -0.62 0.00 0.00 0.00 174.94 174.34 1y1b n GLU 41 N -1.19 0.57 -3.94 2.79 1.02 -1.17 -4.89 120.64 113.84 1y1b n GLU 41 Ca 0.11 -2.37 -0.35 0.00 -0.02 0.00 0.00 57.16 54.53 1y1b n GLU 41 Cb 0.51 1.47 -0.09 0.00 -0.02 0.00 0.00 31.44 33.31 1y1b n GLU 41 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 1y1b s LEU 42 N 0.00 3.99 0.00 -4.62 1.98 -1.26 0.18 118.68 118.95 1y1b s LEU 42 Ca 0.18 0.19 0.00 0.00 -2.89 0.00 0.00 54.13 51.61 1y1b s LEU 42 Cb 0.01 -2.00 0.00 0.00 0.66 0.00 0.00 46.19 44.86 1y1b s LEU 42 CO 0.13 0.23 0.00 0.55 -1.89 0.00 0.00 176.35 175.37 1y1b n VAL 43 N 3.17 0.00 -3.80 1.68 3.14 -0.30 -4.67 118.33 117.55 1y1b n VAL 43 Ca -0.17 0.00 -0.12 0.00 -2.96 0.00 0.00 64.34 61.08 1y1b n VAL 43 Cb 0.53 -0.64 -0.11 0.00 -1.06 0.00 0.00 33.84 32.56 1y1b n VAL 43 CO 0.00 0.00 0.00 -1.00 -6.46 0.00 0.00 176.83 169.37 1y1b s HIS 44 N -1.83 -0.20 -1.16 1.45 3.76 -0.82 -5.02 115.29 111.48 1y1b s HIS 44 Ca 0.00 0.46 -0.03 0.00 -0.15 0.00 0.00 55.06 55.34 1y1b s HIS 44 Cb 0.00 0.07 0.23 0.00 1.11 0.00 0.00 32.58 33.99 1y1b s HIS 44 CO 0.00 -0.18 2.03 0.36 -0.85 0.00 0.00 174.74 176.10 1y1b n LYS 45 N 2.52 4.98 0.00 1.40 2.85 -1.26 0.48 118.16 129.13 1y1b n LYS 45 Ca -0.15 -4.13 0.00 0.00 -1.05 0.00 0.00 58.31 52.97 1y1b n LYS 45 Cb 0.58 -2.56 0.00 0.00 -0.65 0.00 0.00 35.03 32.40 1y1b n LYS 45 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1y1b n GLY 46 N 0.86 1.06 2.48 2.58 0.00 -0.31 -4.78 105.19 107.07 1y1b n GLY 46 Ca 0.52 -0.40 -0.32 0.00 0.00 0.00 0.00 46.02 45.82 1y1b n GLY 46 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1y1b n ARG 47 N 0.00 3.25 -0.19 1.61 1.74 -1.24 -2.55 116.66 119.28 1y1b n ARG 47 Ca 0.00 -2.75 0.00 0.00 -0.77 0.00 0.00 57.85 54.33 1y1b n ARG 47 Cb 0.00 -2.33 0.00 0.00 -1.02 0.00 0.00 32.46 29.11 1y1b n ARG 47 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11