#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 -0.58 0.00 1.97 -0.04 -1.26 -5.08 135.00 130.01 1y1b n PRO 2 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1y1b n PRO 2 Cb 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.46 1y1b n PRO 2 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1y1b n ASP 3 N -1.58 0.00 -4.00 3.54 5.75 -1.26 -5.07 116.55 113.93 1y1b n ASP 3 Ca 0.00 0.00 -0.39 0.00 -0.01 0.00 0.00 54.79 54.39 1y1b n ASP 3 Cb 0.00 0.00 0.03 0.00 -1.03 0.00 0.00 41.12 40.12 1y1b n ASP 3 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1y1b s PRO 5 N -2.00 1.49 -0.28 0.00 0.04 -1.26 -4.06 135.00 128.93 1y1b s PRO 5 Ca 0.36 -1.16 0.09 0.00 0.04 0.00 0.00 61.00 60.33 1y1b s PRO 5 Cb 0.10 -2.29 0.30 0.00 0.04 0.00 0.00 34.50 32.65 1y1b s PRO 5 CO 0.66 -1.60 1.28 1.47 0.04 0.00 0.00 177.00 178.85 1y1b n LEU 6 N -2.94 -1.21 -2.82 -3.56 -0.00 -1.26 -4.96 117.00 100.25 1y1b n LEU 6 Ca 0.16 -2.71 -0.04 0.00 -0.00 0.00 0.00 56.01 53.42 1y1b n LEU 6 Cb 0.61 0.31 0.00 0.00 -0.00 0.00 0.00 43.42 44.34 1y1b n LEU 6 CO 0.42 1.56 -0.32 -0.38 -0.00 0.00 0.00 177.39 178.67 1y1b n ILE 7 N -1.05-10.90 0.00 1.47 5.41 -1.26 -5.02 119.36 108.01 1y1b n ILE 7 Ca -0.13 1.41 0.00 0.00 1.00 0.00 0.00 62.75 65.03 1y1b n ILE 7 Cb 0.78 -6.71 0.00 0.00 -0.71 0.00 0.00 39.64 33.00 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 -0.90 0.00 -0.36 0.00 -1.32 -1.26 -5.03 115.64 106.77 1y1b s THR 9 Ca 0.00 0.00 0.09 0.00 -1.21 0.00 0.00 61.69 60.57 1y1b s THR 9 Cb 0.00 -1.00 0.66 0.00 -1.51 0.00 0.00 72.50 70.65 1y1b s THR 9 CO 0.00 0.00 1.66 0.80 -2.21 0.00 0.00 174.62 174.87 1y1b n MET 10 N 0.58 3.54 -1.71 7.08 1.56 -1.26 -4.71 117.12 122.21 1y1b n MET 10 Ca -0.13 -2.69 -0.41 0.00 -0.27 0.00 0.00 57.70 54.21 1y1b n MET 10 Cb 0.59 -2.11 -0.01 0.00 2.15 0.00 0.00 33.22 33.83 1y1b n MET 10 CO 0.00 0.00 0.00 0.94 -0.73 0.00 0.00 175.97 176.18 1y1b n GLN 11 N -0.00 3.56 0.00 2.12 7.27 -1.26 -4.90 117.38 124.17 1y1b n GLN 11 Ca 0.34 -2.73 0.00 0.00 0.07 0.00 0.00 57.00 54.69 1y1b n GLN 11 Cb 1.24 -2.95 0.00 0.00 2.41 0.00 0.00 30.24 30.94 1y1b n GLN 11 CO 0.00 0.00 0.00 0.98 0.07 0.00 0.00 177.06 178.11 1y1b n TYR 12 N 4.13 0.00 -3.11 3.69 9.36 -1.26 -4.80 117.16 125.17 1y1b n TYR 12 Ca 0.62 0.00 -0.26 0.00 3.32 0.00 0.00 57.90 61.58 1y1b n TYR 12 Cb 0.30 0.00 -0.05 0.00 -0.63 0.00 0.00 39.34 38.96 1y1b n TYR 12 CO 0.00 0.00 0.00 -3.47 0.22 0.00 0.00 176.86 173.61 1y1b n ASP 13 N 0.00 3.63 -4.50 2.98 -0.08 0.17 -5.03 116.55 113.71 1y1b n ASP 13 Ca 0.00 -3.49 -0.41 0.00 -1.51 0.00 0.00 54.79 49.37 1y1b n ASP 13 Cb 0.00 -0.60 -0.09 0.00 2.34 0.00 0.00 41.12 42.77 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 0.18 0.63 -4.50 -0.67 -0.04 -0.85 -3.64 135.00 126.12 1y1b n PRO 14 Ca 0.29 0.06 -0.34 0.00 -0.04 0.00 0.00 63.50 63.47 1y1b n PRO 14 Cb 0.44 -2.46 -0.10 0.00 -0.04 0.00 0.00 33.50 31.33 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 9.86 3.99 -0.29 0.52 -7.23 0.19 -1.83 120.40 125.62 1y1b s VAL 15 Ca 1.15 -0.37 -0.29 0.00 -1.81 0.00 0.00 61.98 60.67 1y1b s VAL 15 Cb -0.76 -2.66 0.01 0.00 0.56 0.00 0.00 36.38 33.53 1y1b s VAL 15 CO 0.40 0.60 1.12 0.00 -0.31 0.00 0.00 175.10 176.91 1y1b s GLY 17 N 1.78 2.04 -0.84 0.00 0.00 0.16 -1.50 107.32 108.96 1y1b s GLY 17 Ca 0.48 -0.69 -0.21 0.00 0.00 0.00 0.00 44.72 44.29 1y1b s GLY 17 CO 0.15 -0.12 2.36 1.44 0.00 0.00 0.00 173.10 176.93 1y1b n SER 18 N 2.87 0.66 0.00 1.64 7.64 0.39 -1.81 113.62 125.01 1y1b n SER 18 Ca -0.18 -0.90 0.00 0.00 1.01 0.00 0.00 58.87 58.80 1y1b n SER 18 Cb 0.53 -1.22 0.00 0.00 -1.01 0.00 0.00 64.21 62.52 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 13.31 0.00 0.00 6.43 2.03 -1.26 -3.00 116.55 134.06 1y1b n ASP 19 Ca 0.54 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.85 1y1b n ASP 19 Cb 0.31 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.71 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 1.54 3.18 0.27 0.00 -0.75 -5.15 105.19 104.28 1y1b n GLY 20 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 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 -1.85 0.14 -0.48 -0.61 1.01 -1.21 -5.02 121.20 113.18 1y1b s ILE 21 Ca 0.00 -1.14 -0.06 0.00 0.00 0.00 0.00 60.65 59.46 1y1b s ILE 21 Cb 0.00 -1.19 0.12 0.00 0.01 0.00 0.00 42.46 41.41 1y1b s ILE 21 CO 0.00 -0.63 0.31 -0.89 0.00 0.00 0.00 174.94 173.74 1y1b s THR 22 N -3.37 3.80 0.08 2.92 2.01 -1.26 0.35 115.64 120.18 1y1b s THR 22 Ca 0.01 -2.09 -0.28 0.00 0.31 0.00 0.00 61.69 59.65 1y1b s THR 22 Cb 0.03 -3.53 -0.06 0.00 0.01 0.00 0.00 72.50 68.95 1y1b s THR 22 CO -0.08 -0.76 0.87 -0.31 -0.69 0.00 0.00 174.62 173.64 1y1b s TYR 23 N 1.03 3.78 0.59 4.92 1.51 0.14 -4.69 117.35 124.63 1y1b s TYR 23 Ca 0.09 1.65 0.35 0.00 -1.01 0.00 0.00 57.07 58.15 1y1b s TYR 23 Cb -0.23 -2.94 1.29 0.00 -0.11 0.00 0.00 41.96 39.96 1y1b s TYR 23 CO -0.03 0.25 1.49 0.78 -1.11 0.00 0.00 175.55 176.93 1y1b h GLY 24 N 5.57 0.00 -4.81 0.71 0.00 -1.85 0.54 103.07 103.22 1y1b h GLY 24 Ca -0.43 0.00 0.07 0.00 0.00 0.00 0.00 47.33 46.97 1y1b h GLY 24 CO 0.71 0.00 0.51 -1.31 0.00 0.00 0.00 176.54 176.45 1y1b s ASN 25 N -3.93 -0.40 0.56 0.19 0.01 -1.24 0.41 114.94 110.54 1y1b s ASN 25 Ca -0.04 0.59 0.28 0.00 -0.71 0.00 0.00 52.86 52.98 1y1b s ASN 25 Cb 0.19 0.53 1.47 0.00 0.41 0.00 0.00 41.25 43.85 1y1b s ASN 25 CO 0.64 -0.27 1.96 0.00 -1.51 0.00 0.00 177.10 177.91 1y1b h ALA 26 N 3.20 2.36 -0.15 0.60 0.00 -1.78 0.53 119.26 124.02 1y1b h ALA 26 Ca -0.22 -0.02 -0.21 0.00 0.00 0.00 0.00 54.91 54.46 1y1b h ALA 26 Cb 1.17 0.04 0.01 0.00 0.00 0.00 0.00 17.79 19.01 1y1b h ALA 26 CO 0.23 -0.70 -0.72 0.00 0.00 0.00 0.00 179.25 178.06 1y1b h MET 28 N 0.47 0.00 0.25 0.00 2.86 -0.39 -2.91 114.93 115.21 1y1b h MET 28 Ca -0.05 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.58 1y1b h MET 28 Cb 1.35 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.02 1y1b h MET 28 CO 0.15 0.00 -0.12 1.25 1.06 0.00 0.00 176.91 179.25 1y1b h LEU 29 N 0.00 -0.28 -1.79 1.22 6.46 -0.71 -0.31 115.31 119.91 1y1b h LEU 29 Ca 0.00 0.01 0.30 0.00 -0.12 0.00 0.00 57.88 58.07 1y1b h LEU 29 Cb 0.28 0.07 -0.06 0.00 -0.73 0.00 0.00 40.66 40.22 1y1b h LEU 29 CO 0.00 0.08 0.76 0.17 -0.62 0.00 0.00 178.44 178.83 1y1b h LEU 30 N -0.90 0.15 -0.59 2.25 -0.00 -1.42 2.60 115.31 117.40 1y1b h LEU 30 Ca -0.03 0.03 -0.15 0.00 -0.00 0.00 0.00 57.88 57.72 1y1b h LEU 30 Cb 0.25 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 40.90 1y1b h LEU 30 CO 0.06 0.03 -0.68 1.23 -0.00 0.00 0.00 178.44 179.08 1y1b h GLY 31 N 0.13 0.16 0.27 0.17 0.00 -1.28 -2.66 103.07 99.85 1y1b h GLY 31 Ca 0.55 -0.22 -0.01 0.00 0.00 0.00 0.00 47.33 47.65 1y1b h GLY 31 CO -0.10 0.20 -0.09 0.00 0.00 0.00 0.00 176.54 176.54 1y1b h ALA 32 N 1.20 -0.25 -1.29 3.60 0.00 0.60 -2.88 119.26 120.24 1y1b h ALA 32 Ca -0.01 -0.17 0.38 0.00 0.00 0.00 0.00 54.91 55.10 1y1b h ALA 32 Cb 1.20 0.10 -0.08 0.00 0.00 0.00 0.00 17.79 19.01 1y1b h ALA 32 CO 0.10 -0.28 0.89 0.66 0.00 0.00 0.00 179.25 180.61 1y1b h SER 33 N -0.98 0.17 -0.10 0.00 4.64 0.17 0.47 113.55 117.90 1y1b h SER 33 Ca -0.03 0.05 -0.03 0.00 -0.47 0.00 0.00 61.79 61.31 1y1b h SER 33 Cb 0.42 0.03 -0.00 0.00 -0.31 0.00 0.00 62.40 62.54 1y1b h SER 33 CO 0.04 -0.02 -0.06 0.00 -0.87 0.00 0.00 176.83 175.93 1y1b h ARG 35 N -0.15 0.00 0.00 0.00 2.47 0.12 -3.39 114.38 113.43 1y1b h ARG 35 Ca 0.02 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.74 1y1b h ARG 35 Cb 0.52 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.84 1y1b h ARG 35 CO 0.02 0.01 0.00 0.45 0.56 0.00 0.00 179.97 181.01 1y1b n SER 36 N -4.05 0.00 -0.85 7.04 2.88 -0.70 -5.07 113.62 112.88 1y1b n SER 36 Ca -0.03 0.00 -0.00 0.00 -1.33 0.00 0.00 58.87 57.51 1y1b n SER 36 Cb 0.10 0.00 -0.00 0.00 -0.75 0.00 0.00 64.21 63.56 1y1b n SER 36 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 1y1b n ASP 37 N 0.00 -0.03 -3.65 -3.46 5.68 -1.17 -5.09 116.55 108.83 1y1b n ASP 37 Ca 0.00 -0.37 -0.05 0.00 -0.50 0.00 0.00 54.79 53.87 1y1b n ASP 37 Cb 0.00 0.01 -0.06 0.00 -1.14 0.00 0.00 41.12 39.93 1y1b n ASP 37 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 1y1b s THR 38 N 0.00 -0.51 -0.65 2.12 2.01 -1.23 -5.07 115.64 112.32 1y1b s THR 38 Ca 0.00 0.03 -0.24 0.00 0.31 0.00 0.00 61.69 61.79 1y1b s THR 38 Cb 0.00 -0.92 -0.20 0.00 0.01 0.00 0.00 72.50 71.39 1y1b s THR 38 CO -0.00 0.01 1.86 -2.65 -0.69 0.00 0.00 174.62 173.15 1y1b n PRO 39 N 4.92 1.14 -0.58 4.92 -0.02 -1.26 -4.62 135.00 139.50 1y1b n PRO 39 Ca -0.16 -1.71 -0.21 0.00 -2.02 0.00 0.00 63.50 59.40 1y1b n PRO 39 Cb 0.53 -2.93 0.14 0.00 -0.02 0.00 0.00 33.50 31.23 1y1b n PRO 39 CO 0.00 0.00 0.00 0.44 1.98 0.00 0.00 175.50 177.92 1y1b n ILE 40 N 6.47 0.00 -4.22 4.25 -5.35 -1.26 -5.04 119.36 114.20 1y1b n ILE 40 Ca 0.48 -0.08 -0.15 0.00 -0.27 0.00 0.00 62.75 62.74 1y1b n ILE 40 Cb 0.42 -0.47 -0.06 0.00 -1.74 0.00 0.00 39.64 37.79 1y1b n ILE 40 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 1y1b n GLU 41 N -1.51 0.33 -4.97 6.28 1.02 -1.16 -4.95 120.64 115.68 1y1b n GLU 41 Ca 0.04 -2.48 -0.32 0.00 -0.02 0.00 0.00 57.16 54.39 1y1b n GLU 41 Cb 0.41 1.97 -0.14 0.00 -0.02 0.00 0.00 31.44 33.67 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 2.53 0.00 -4.62 1.98 -1.26 0.15 118.68 117.46 1y1b s LEU 42 Ca 0.28 -0.30 0.00 0.00 -2.89 0.00 0.00 54.13 51.22 1y1b s LEU 42 Cb 0.01 -1.49 0.00 0.00 0.66 0.00 0.00 46.19 45.37 1y1b s LEU 42 CO 0.20 0.33 0.00 0.52 -1.89 0.00 0.00 176.35 175.51 1y1b n VAL 43 N 2.24 0.00 -3.93 1.68 0.31 -0.56 -4.67 118.33 113.40 1y1b n VAL 43 Ca -0.17 0.00 -0.10 0.00 -0.01 0.00 0.00 64.34 64.06 1y1b n VAL 43 Cb 0.52 -0.71 -0.11 0.00 -0.91 0.00 0.00 33.84 32.63 1y1b n VAL 43 CO 0.00 0.00 0.00 -1.00 -1.32 0.00 0.00 176.83 174.51 1y1b s HIS 44 N -1.88 0.16 -1.21 3.52 3.76 -1.10 -5.03 115.29 113.51 1y1b s HIS 44 Ca 0.00 -0.34 -0.04 0.00 -0.15 0.00 0.00 55.06 54.53 1y1b s HIS 44 Cb 0.00 -0.13 0.20 0.00 1.11 0.00 0.00 32.58 33.76 1y1b s HIS 44 CO 0.00 -0.21 2.12 1.63 -0.85 0.00 0.00 174.74 177.43 1y1b n LYS 45 N 1.68 4.82 0.00 1.40 5.02 -1.26 0.00 118.16 129.82 1y1b n LYS 45 Ca -0.23 -3.93 0.00 0.00 -2.02 0.00 0.00 58.31 52.14 1y1b n LYS 45 Cb 0.56 -2.59 0.00 0.00 -0.02 0.00 0.00 35.03 32.97 1y1b n LYS 45 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1y1b n GLY 46 N 1.17 -0.73 2.39 0.72 0.00 -0.76 -4.78 105.19 103.20 1y1b n GLY 46 Ca 0.54 -0.40 -0.33 0.00 0.00 0.00 0.00 46.02 45.83 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 3.61 -0.13 1.61 1.74 -1.26 -2.19 116.66 120.04 1y1b n ARG 47 Ca 0.00 -2.66 0.00 0.00 -0.77 0.00 0.00 57.85 54.42 1y1b n ARG 47 Cb 0.00 -2.48 0.00 0.00 -1.02 0.00 0.00 32.46 28.96 1y1b n ARG 47 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11