#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 -0.47 -4.31 1.97 -0.02 -1.26 -5.08 135.00 125.83 1y1b n PRO 2 Ca 0.00 0.00 -0.16 0.00 -2.02 0.00 0.00 63.50 61.32 1y1b n PRO 2 Cb 0.00 0.00 -0.10 0.00 -0.02 0.00 0.00 33.50 33.38 1y1b n PRO 2 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1y1b s ASP 3 N -1.96 1.70 -0.10 2.55 1.01 -1.26 -4.93 116.67 113.67 1y1b s ASP 3 Ca 0.00 -1.22 -0.16 0.00 0.71 0.00 0.00 52.55 51.88 1y1b s ASP 3 Cb 0.00 0.04 -0.07 0.00 1.01 0.00 0.00 42.92 43.89 1y1b s ASP 3 CO 0.00 -0.53 0.50 0.00 0.21 0.00 0.00 175.17 175.35 1y1b n PRO 5 N 1.06 1.86 -3.04 0.00 -0.04 -1.26 -4.95 135.00 128.62 1y1b n PRO 5 Ca 0.10 0.00 -0.25 0.00 -0.04 0.00 0.00 63.50 63.30 1y1b n PRO 5 Cb 0.00 0.00 -0.04 0.00 -0.04 0.00 0.00 33.50 33.42 1y1b n PRO 5 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 1y1b n LEU 6 N 0.00 3.65 -1.85 1.53 7.94 -1.26 -5.00 117.00 122.01 1y1b n LEU 6 Ca 0.00 -5.52 -0.01 0.00 -1.11 0.00 0.00 56.01 49.38 1y1b n LEU 6 Cb 0.00 -0.31 -0.01 0.00 0.53 0.00 0.00 43.42 43.63 1y1b n LEU 6 CO 0.00 2.31 -0.31 -0.38 -1.11 0.00 0.00 177.39 177.90 1y1b n ILE 7 N 0.01 -8.61 0.00 1.96 -0.00 -1.26 -5.03 119.36 106.44 1y1b n ILE 7 Ca 0.30 1.77 0.00 0.00 -0.00 0.00 0.00 62.75 64.82 1y1b n ILE 7 Cb 0.44 -4.90 0.00 0.00 -0.00 0.00 0.00 39.64 35.19 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 -0.48 0.00 -0.32 0.00 -1.32 -1.26 -5.03 115.64 107.24 1y1b s THR 9 Ca 0.00 -0.56 0.10 0.00 -1.21 0.00 0.00 61.69 60.03 1y1b s THR 9 Cb 0.00 -1.60 0.75 0.00 -1.51 0.00 0.00 72.50 70.14 1y1b s THR 9 CO 0.00 0.00 1.79 0.23 -2.21 0.00 0.00 174.62 174.43 1y1b n MET 10 N -0.42 3.79 -1.57 7.08 2.81 -1.26 -4.73 117.12 122.81 1y1b n MET 10 Ca -0.09 -3.10 -0.40 0.00 -1.81 0.00 0.00 57.70 52.30 1y1b n MET 10 Cb 0.61 -2.21 -0.02 0.00 -0.71 0.00 0.00 33.22 30.89 1y1b n MET 10 CO 0.00 0.00 0.00 1.04 1.51 0.00 0.00 175.97 178.52 1y1b n GLN 11 N -0.12 3.88 -0.03 0.03 6.02 -1.26 -4.90 117.38 120.99 1y1b n GLN 11 Ca 0.39 -2.63 -0.01 0.00 -0.01 0.00 0.00 57.00 54.75 1y1b n GLN 11 Cb 1.36 -2.80 -0.00 0.00 1.02 0.00 0.00 30.24 29.82 1y1b n GLN 11 CO 0.00 0.00 0.00 0.98 -1.01 0.00 0.00 177.06 177.03 1y1b n TYR 12 N 3.30 0.00 -3.02 1.08 9.36 -1.26 -4.77 117.16 121.86 1y1b n TYR 12 Ca 0.71 0.00 -0.26 0.00 3.32 0.00 0.00 57.90 61.67 1y1b n TYR 12 Cb 0.25 -0.02 -0.04 0.00 -0.63 0.00 0.00 39.34 38.90 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 0.13 3.82 -4.59 2.98 2.03 -0.93 -5.06 116.55 114.94 1y1b n ASP 13 Ca 0.01 -3.55 -0.56 0.00 0.52 0.00 0.00 54.79 51.21 1y1b n ASP 13 Cb 0.00 -0.58 -0.08 0.00 -0.72 0.00 0.00 41.12 39.75 1y1b n ASP 13 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 1y1b n PRO 14 N -0.06 1.00 -4.81 -0.67 -0.04 -1.11 -4.01 135.00 125.30 1y1b n PRO 14 Ca 0.30 0.34 -0.27 0.00 -0.04 0.00 0.00 63.50 63.82 1y1b n PRO 14 Cb 0.43 -2.13 -0.17 0.00 -0.04 0.00 0.00 33.50 31.60 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 4.83 1.49 -0.05 0.52 -7.23 0.33 -0.09 120.40 120.20 1y1b s VAL 15 Ca 1.04 -0.68 -0.30 0.00 -1.81 0.00 0.00 61.98 60.23 1y1b s VAL 15 Cb -1.07 -1.32 -0.03 0.00 0.56 0.00 0.00 36.38 34.52 1y1b s VAL 15 CO 0.62 0.43 1.06 0.00 -0.31 0.00 0.00 175.10 176.90 1y1b s GLY 17 N 1.15 1.82 -0.85 0.00 0.00 0.71 -2.05 107.32 108.11 1y1b s GLY 17 Ca 0.52 -0.84 -0.24 0.00 0.00 0.00 0.00 44.72 44.16 1y1b s GLY 17 CO 0.23 -0.62 2.46 -1.26 0.00 0.00 0.00 173.10 173.91 1y1b n SER 18 N 2.07 0.58 0.00 1.64 2.88 0.41 -1.65 113.62 119.56 1y1b n SER 18 Ca -0.18 -0.41 0.00 0.00 -1.33 0.00 0.00 58.87 56.95 1y1b n SER 18 Cb 0.53 -1.10 0.00 0.00 -0.75 0.00 0.00 64.21 62.89 1y1b n SER 18 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 1y1b n ASP 19 N 11.87 0.00 0.00 -3.46 2.03 -1.26 -3.02 116.55 122.71 1y1b n ASP 19 Ca 0.57 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.88 1y1b n ASP 19 Cb 0.24 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.64 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 1.82 2.91 0.27 0.00 -0.66 -5.13 105.19 104.40 1y1b n GLY 20 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.86 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 0.33 -0.65 -0.61 -1.09 -1.20 -5.00 121.20 110.97 1y1b s ILE 21 Ca 0.00 -0.11 -0.19 0.00 -2.23 0.00 0.00 60.65 58.12 1y1b s ILE 21 Cb 0.00 -0.33 0.11 0.00 -1.58 0.00 0.00 42.46 40.66 1y1b s ILE 21 CO 0.00 0.13 0.78 -0.89 -1.23 0.00 0.00 174.94 173.73 1y1b s THR 22 N 0.32 4.81 0.39 2.92 2.01 -1.26 -0.21 115.64 124.63 1y1b s THR 22 Ca -0.03 -1.10 -0.23 0.00 0.31 0.00 0.00 61.69 60.64 1y1b s THR 22 Cb -0.07 -4.54 -0.10 0.00 0.01 0.00 0.00 72.50 67.80 1y1b s THR 22 CO -0.00 -1.20 0.96 -0.31 -0.69 0.00 0.00 174.62 173.37 1y1b s TYR 23 N 2.65 3.42 0.64 4.92 1.51 -0.04 -4.80 117.35 125.66 1y1b s TYR 23 Ca 0.15 1.67 0.34 0.00 -1.01 0.00 0.00 57.07 58.22 1y1b s TYR 23 Cb -0.20 -2.90 1.89 0.00 -0.11 0.00 0.00 41.96 40.64 1y1b s TYR 23 CO 0.04 -0.06 2.11 0.78 -1.11 0.00 0.00 175.55 177.31 1y1b h GLY 24 N 2.35 0.00 -4.97 0.71 0.00 -1.88 0.96 103.07 100.24 1y1b h GLY 24 Ca -0.48 0.00 0.15 0.00 0.00 0.00 0.00 47.33 47.00 1y1b h GLY 24 CO 0.62 0.00 0.73 -1.31 0.00 0.00 0.00 176.54 176.58 1y1b s ASN 25 N -5.05 -0.22 0.57 0.19 0.01 -1.26 -2.18 114.94 107.01 1y1b s ASN 25 Ca -0.04 0.29 0.29 0.00 -0.71 0.00 0.00 52.86 52.69 1y1b s ASN 25 Cb 0.12 0.25 1.46 0.00 0.41 0.00 0.00 41.25 43.50 1y1b s ASN 25 CO 0.40 -0.16 1.89 0.00 -1.51 0.00 0.00 177.10 177.72 1y1b h ALA 26 N 2.69 2.44 -0.17 0.60 0.00 -1.84 0.59 119.26 123.57 1y1b h ALA 26 Ca -0.17 -0.02 -0.15 0.00 0.00 0.00 0.00 54.91 54.56 1y1b h ALA 26 Cb 1.18 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.02 1y1b h ALA 26 CO 0.23 -0.86 -0.48 0.00 0.00 0.00 0.00 179.25 178.14 1y1b h MET 28 N 0.30 0.00 0.14 0.00 2.86 -0.25 -2.66 114.93 115.31 1y1b h MET 28 Ca -0.01 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.62 1y1b h MET 28 Cb 1.10 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.76 1y1b h MET 28 CO 0.10 0.00 -0.07 1.25 1.06 0.00 0.00 176.91 179.26 1y1b h LEU 29 N 0.00 -0.16 -1.41 1.22 6.46 -0.77 -1.03 115.31 119.62 1y1b h LEU 29 Ca 0.00 -0.33 0.31 0.00 -0.12 0.00 0.00 57.88 57.73 1y1b h LEU 29 Cb 0.20 0.04 -0.10 0.00 -0.73 0.00 0.00 40.66 40.07 1y1b h LEU 29 CO 0.00 0.43 0.72 0.17 -0.62 0.00 0.00 178.44 179.14 1y1b h LEU 30 N -0.94 0.37 -0.61 2.25 8.10 -1.29 2.70 115.31 125.90 1y1b h LEU 30 Ca -0.02 0.09 -0.15 0.00 0.11 0.00 0.00 57.88 57.91 1y1b h LEU 30 Cb 0.48 0.04 -0.02 0.00 -0.44 0.00 0.00 40.66 40.72 1y1b h LEU 30 CO 0.03 0.02 -0.68 1.23 -4.11 0.00 0.00 178.44 174.93 1y1b h GLY 31 N 0.30 0.08 0.40 0.17 0.00 -1.50 -2.55 103.07 99.97 1y1b h GLY 31 Ca 0.64 -0.12 -0.00 0.00 0.00 0.00 0.00 47.33 47.85 1y1b h GLY 31 CO -0.31 0.11 -0.04 0.00 0.00 0.00 0.00 176.54 176.30 1y1b h ALA 32 N 1.25 -0.12 0.00 3.60 0.00 0.57 -2.86 119.26 121.71 1y1b h ALA 32 Ca -0.01 -0.26 -0.00 0.00 0.00 0.00 0.00 54.91 54.64 1y1b h ALA 32 Cb 1.21 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 19.05 1y1b h ALA 32 CO 0.09 -0.27 -0.01 0.66 0.00 0.00 0.00 179.25 179.73 1y1b h SER 33 N -0.73 0.00 0.20 0.00 4.64 0.48 0.54 113.55 118.69 1y1b h SER 33 Ca -0.01 0.00 -0.31 0.00 -0.47 0.00 0.00 61.79 60.99 1y1b h SER 33 Cb 0.56 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 62.68 1y1b h SER 33 CO 0.02 0.01 -1.33 0.00 -0.87 0.00 0.00 176.83 174.66 1y1b n ARG 35 N -3.75 2.57 0.00 0.00 0.00 -0.82 -4.76 116.66 109.91 1y1b n ARG 35 Ca -0.15 -2.40 0.00 0.00 -0.00 0.00 0.00 57.85 55.30 1y1b n ARG 35 Cb 1.03 -1.53 0.00 0.00 -0.00 0.00 0.00 32.46 31.96 1y1b n ARG 35 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 1y1b n SER 36 N 1.55 0.00 0.00 2.89 2.88 0.18 -5.05 113.62 116.07 1y1b n SER 36 Ca 0.21 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.75 1y1b n SER 36 Cb 0.61 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.07 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 0.00 -4.12 -3.46 5.68 -1.26 -5.08 116.55 108.31 1y1b n ASP 37 Ca 0.00 0.00 -0.18 0.00 -0.50 0.00 0.00 54.79 54.11 1y1b n ASP 37 Cb 0.00 0.00 -0.13 0.00 -1.14 0.00 0.00 41.12 39.85 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 -0.26 0.95 -0.79 2.12 2.01 -1.26 -5.07 115.64 113.35 1y1b s THR 38 Ca 0.00 -0.99 -0.23 0.00 0.31 0.00 0.00 61.69 60.77 1y1b s THR 38 Cb 0.00 -0.89 -0.18 0.00 0.01 0.00 0.00 72.50 71.44 1y1b s THR 38 CO 0.00 -0.09 2.40 -2.65 -0.69 0.00 0.00 174.62 173.59 1y1b n PRO 39 N 1.82 0.49 -1.73 4.92 -0.02 -1.26 -4.82 135.00 134.39 1y1b n PRO 39 Ca -0.19 -0.34 -0.32 0.00 -2.02 0.00 0.00 63.50 60.63 1y1b n PRO 39 Cb 0.55 -2.77 0.04 0.00 -0.02 0.00 0.00 33.50 31.31 1y1b n PRO 39 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1y1b s ILE 40 N 10.28 3.54 0.25 4.25 1.01 -1.26 -5.03 121.20 134.24 1y1b s ILE 40 Ca 1.09 0.65 0.04 0.00 0.00 0.00 0.00 60.65 62.42 1y1b s ILE 40 Cb -0.45 -3.19 -0.02 0.00 0.01 0.00 0.00 42.46 38.81 1y1b s ILE 40 CO 0.29 -0.51 0.15 -0.62 0.00 0.00 0.00 174.94 174.24 1y1b n GLU 41 N -2.60 0.48 -4.86 2.79 -0.58 -1.17 -4.90 120.64 109.80 1y1b n GLU 41 Ca 0.09 -2.29 -0.32 0.00 -0.42 0.00 0.00 57.16 54.22 1y1b n GLU 41 Cb 0.53 1.57 -0.13 0.00 -0.57 0.00 0.00 31.44 32.83 1y1b n GLU 41 CO 0.00 0.00 0.00 -1.17 -0.48 0.00 0.00 177.13 175.48 1y1b s LEU 42 N 0.00 2.59 0.00 -4.62 1.98 -1.26 0.16 118.68 117.52 1y1b s LEU 42 Ca 0.21 -0.32 0.00 0.00 -2.89 0.00 0.00 54.13 51.12 1y1b s LEU 42 Cb 0.01 -1.51 0.00 0.00 0.66 0.00 0.00 46.19 45.35 1y1b s LEU 42 CO 0.15 0.31 0.00 0.52 -1.89 0.00 0.00 176.35 175.43 1y1b n VAL 43 N 2.02 0.00 -4.17 1.68 0.31 -0.87 -4.69 118.33 112.61 1y1b n VAL 43 Ca -0.17 0.00 -0.17 0.00 -0.01 0.00 0.00 64.34 63.99 1y1b n VAL 43 Cb 0.52 -0.09 -0.15 0.00 -0.91 0.00 0.00 33.84 33.21 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 -1.14 0.56 -1.03 3.52 3.76 -1.14 -5.02 115.29 114.80 1y1b s HIS 44 Ca 0.00 -0.11 -0.03 0.00 -0.15 0.00 0.00 55.06 54.76 1y1b s HIS 44 Cb 0.00 -0.42 0.20 0.00 1.11 0.00 0.00 32.58 33.47 1y1b s HIS 44 CO 0.00 -0.06 2.24 1.63 -0.85 0.00 0.00 174.74 177.70 1y1b n LYS 45 N 3.28 4.28 0.00 1.40 5.02 -1.26 0.18 118.16 131.06 1y1b n LYS 45 Ca -0.17 -3.66 0.00 0.00 -2.02 0.00 0.00 58.31 52.46 1y1b n LYS 45 Cb 0.56 -2.46 0.00 0.00 -0.02 0.00 0.00 35.03 33.11 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 0.76 1.20 2.47 0.72 0.00 0.88 -4.79 105.19 106.43 1y1b n GLY 46 Ca 0.54 -0.05 -0.30 0.00 0.00 0.00 0.00 46.02 46.21 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 3.04 -0.33 1.61 1.74 -1.26 -3.29 116.66 118.17 1y1b n ARG 47 Ca 0.00 -2.64 0.00 0.00 -0.77 0.00 0.00 57.85 54.44 1y1b n ARG 47 Cb 0.00 -2.28 0.00 0.00 -1.02 0.00 0.00 32.46 29.16 1y1b n ARG 47 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11