#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 -1.28 -4.03 1.97 -0.04 -1.26 -5.11 135.00 125.25 1y1b n PRO 2 Ca 0.00 -0.34 -0.11 0.00 -0.04 0.00 0.00 63.50 63.01 1y1b n PRO 2 Cb 0.00 -0.31 -0.05 0.00 -0.04 0.00 0.00 33.50 33.10 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 -2.05 0.21 0.10 3.54 2.15 -1.26 -4.96 116.67 114.38 1y1b s ASP 3 Ca 0.14 -1.14 -0.15 0.00 0.43 0.00 0.00 52.55 51.83 1y1b s ASP 3 Cb -0.01 0.60 -0.09 0.00 -0.30 0.00 0.00 42.92 43.11 1y1b s ASP 3 CO 0.10 -1.18 0.30 0.00 -0.17 0.00 0.00 175.17 174.23 1y1b n PRO 5 N 0.56 2.20 -3.74 0.00 -0.04 -1.26 -4.88 135.00 127.84 1y1b n PRO 5 Ca 0.10 -2.27 -0.16 0.00 -0.04 0.00 0.00 63.50 61.13 1y1b n PRO 5 Cb 0.12 -1.92 0.01 0.00 -0.04 0.00 0.00 33.50 31.67 1y1b n PRO 5 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1y1b n LEU 6 N 0.04 -0.11 -2.31 1.53 4.77 -1.26 -3.23 117.00 116.42 1y1b n LEU 6 Ca 0.43 -0.45 -0.04 0.00 -0.03 0.00 0.00 56.01 55.93 1y1b n LEU 6 Cb 0.58 -0.55 -0.03 0.00 -2.33 0.00 0.00 43.42 41.08 1y1b n LEU 6 CO 0.49 0.27 -0.51 -0.38 -1.33 0.00 0.00 177.39 175.93 1y1b n ILE 7 N -2.24-11.22 0.00 -0.08 -0.00 -1.26 -5.05 119.36 99.51 1y1b n ILE 7 Ca -0.05 2.38 0.00 0.00 -0.00 0.00 0.00 62.75 65.08 1y1b n ILE 7 Cb 0.20 -5.88 0.00 0.00 -0.00 0.00 0.00 39.64 33.96 1y1b n ILE 7 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 1y1b n THR 9 N -0.40 0.00 -0.09 0.00 5.66 -1.26 -5.07 114.28 113.12 1y1b n THR 9 Ca 0.00 0.00 -0.17 0.00 -3.05 0.00 0.00 64.05 60.83 1y1b n THR 9 Cb 0.00 0.00 -0.07 0.00 -1.55 0.00 0.00 70.33 68.71 1y1b n THR 9 CO 0.00 0.00 0.00 0.23 -3.05 0.00 0.00 175.07 172.25 1y1b n MET 10 N 0.00 0.38 -1.30 1.09 2.81 -1.26 -4.96 117.12 113.88 1y1b n MET 10 Ca 0.00 0.15 0.00 0.00 -1.81 0.00 0.00 57.70 56.04 1y1b n MET 10 Cb 0.00 -1.17 0.00 0.00 -0.71 0.00 0.00 33.22 31.34 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 -3.62 -0.14 -0.93 0.03 3.00 -1.26 -4.14 117.38 110.33 1y1b n GLN 11 Ca -0.33 -0.07 -0.15 0.00 -0.01 0.00 0.00 57.00 56.44 1y1b n GLN 11 Cb 0.76 0.12 -0.14 0.00 0.00 0.00 0.00 30.24 30.98 1y1b n GLN 11 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.06 178.04 1y1b n TYR 12 N -0.28 0.03 -2.92 1.08 9.36 -1.26 -4.71 117.16 118.47 1y1b n TYR 12 Ca 0.00 0.02 -0.21 0.00 3.32 0.00 0.00 57.90 61.03 1y1b n TYR 12 Cb 0.00 -0.42 -0.02 0.00 -0.63 0.00 0.00 39.34 38.27 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 3.71 2.80 -4.45 2.98 2.03 0.15 -5.03 116.55 118.75 1y1b n ASP 13 Ca 0.42 -3.31 -0.15 0.00 0.52 0.00 0.00 54.79 52.27 1y1b n ASP 13 Cb 0.08 -0.56 -0.13 0.00 -0.72 0.00 0.00 41.12 39.79 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 -0.07 0.18 -3.30 -0.67 -0.04 -1.15 -3.37 135.00 126.58 1y1b n PRO 14 Ca 0.27 -0.45 -0.38 0.00 -0.04 0.00 0.00 63.50 62.89 1y1b n PRO 14 Cb 0.59 -2.15 -0.06 0.00 -0.04 0.00 0.00 33.50 31.84 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 6.47 5.16 -0.33 0.52 -7.23 0.19 -1.52 120.40 123.66 1y1b s VAL 15 Ca 0.93 0.94 -0.29 0.00 -1.81 0.00 0.00 61.98 61.75 1y1b s VAL 15 Cb -0.41 -3.82 0.01 0.00 0.56 0.00 0.00 36.38 32.73 1y1b s VAL 15 CO 0.29 0.27 1.17 0.00 -0.31 0.00 0.00 175.10 176.51 1y1b s GLY 17 N 2.17 2.02 -0.80 0.00 0.00 0.99 -1.15 107.32 110.55 1y1b s GLY 17 Ca 0.50 -0.73 -0.23 0.00 0.00 0.00 0.00 44.72 44.26 1y1b s GLY 17 CO 0.20 -0.49 2.42 -1.26 0.00 0.00 0.00 173.10 173.97 1y1b n SER 18 N 1.99 0.87 0.00 1.64 2.88 0.33 -1.92 113.62 119.42 1y1b n SER 18 Ca -0.19 -0.67 0.00 0.00 -1.33 0.00 0.00 58.87 56.68 1y1b n SER 18 Cb 0.54 -1.23 0.00 0.00 -0.75 0.00 0.00 64.21 62.77 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 13.26 0.00 0.00 -3.46 2.03 -1.26 -3.02 116.55 124.10 1y1b n ASP 19 Ca 0.53 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.84 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 1.64 3.02 0.27 0.00 -0.81 -5.14 105.19 104.17 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 -2.00 0.14 -0.48 -0.61 1.01 -1.20 -5.02 121.20 113.03 1y1b s ILE 21 Ca 0.00 -1.12 -0.06 0.00 0.00 0.00 0.00 60.65 59.47 1y1b s ILE 21 Cb 0.00 -0.59 0.13 0.00 0.01 0.00 0.00 42.46 42.01 1y1b s ILE 21 CO 0.00 -0.61 0.33 -0.89 0.00 0.00 0.00 174.94 173.76 1y1b s THR 22 N -2.08 3.88 0.10 2.92 2.01 -1.26 -0.01 115.64 121.20 1y1b s THR 22 Ca -0.10 -2.06 -0.29 0.00 0.31 0.00 0.00 61.69 59.54 1y1b s THR 22 Cb -0.05 -3.57 -0.06 0.00 0.01 0.00 0.00 72.50 68.82 1y1b s THR 22 CO -0.03 -0.77 0.93 -0.31 -0.69 0.00 0.00 174.62 173.75 1y1b s TYR 23 N 1.05 3.80 0.62 4.92 2.02 0.87 -4.70 117.35 125.93 1y1b s TYR 23 Ca 0.09 1.75 0.21 0.00 -0.37 0.00 0.00 57.07 58.74 1y1b s TYR 23 Cb -0.24 -3.01 0.82 0.00 -0.40 0.00 0.00 41.96 39.13 1y1b s TYR 23 CO -0.03 0.22 1.35 0.78 -1.57 0.00 0.00 175.55 176.31 1y1b h GLY 24 N 5.56 0.00 -5.00 0.71 0.00 -1.87 0.54 103.07 103.01 1y1b h GLY 24 Ca -0.43 0.00 0.23 0.00 0.00 0.00 0.00 47.33 47.13 1y1b h GLY 24 CO 0.72 0.00 0.94 0.54 0.00 0.00 0.00 176.54 178.73 1y1b s ASN 25 N -3.64 -0.05 0.61 0.19 2.20 -1.22 0.32 114.94 113.35 1y1b s ASN 25 Ca -0.02 0.06 0.28 0.00 -0.94 0.00 0.00 52.86 52.23 1y1b s ASN 25 Cb 0.10 0.05 1.42 0.00 -2.00 0.00 0.00 41.25 40.82 1y1b s ASN 25 CO 0.35 -0.04 1.82 0.00 -2.94 0.00 0.00 177.10 176.29 1y1b h ALA 26 N 2.15 2.07 -0.11 3.54 0.00 -1.79 0.52 119.26 125.64 1y1b h ALA 26 Ca -0.10 -0.01 -0.24 0.00 0.00 0.00 0.00 54.91 54.56 1y1b h ALA 26 Cb 1.19 0.03 0.01 0.00 0.00 0.00 0.00 17.79 19.02 1y1b h ALA 26 CO 0.22 -0.73 -0.87 0.00 0.00 0.00 0.00 179.25 177.87 1y1b h MET 28 N 0.50 0.00 0.04 0.00 2.86 -0.34 -2.49 114.93 115.49 1y1b h MET 28 Ca -0.08 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.56 1y1b h MET 28 Cb 1.50 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.16 1y1b h MET 28 CO 0.18 0.03 -0.02 -0.07 1.06 0.00 0.00 176.91 178.09 1y1b h LEU 29 N 0.00 -0.04 -1.62 1.22 3.38 -1.28 -2.30 115.31 114.66 1y1b h LEU 29 Ca -0.00 -0.64 0.29 0.00 0.09 0.00 0.00 57.88 57.62 1y1b h LEU 29 Cb 0.23 0.01 -0.07 0.00 0.09 0.00 0.00 40.66 40.91 1y1b h LEU 29 CO 0.00 0.67 0.72 -0.07 0.09 0.00 0.00 178.44 179.86 1y1b h LEU 30 N -0.81 0.26 -0.56 1.67 3.38 -1.28 2.36 115.31 120.33 1y1b h LEU 30 Ca -0.01 0.05 -0.12 0.00 0.09 0.00 0.00 57.88 57.90 1y1b h LEU 30 Cb 0.68 0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.42 1y1b h LEU 30 CO 0.01 0.05 -0.56 1.23 0.09 0.00 0.00 178.44 179.26 1y1b h GLY 31 N 0.23 0.00 0.00 0.83 0.00 -1.45 -1.67 103.07 101.01 1y1b h GLY 31 Ca 0.57 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.89 1y1b h GLY 31 CO -0.18 0.00 -0.09 0.00 0.00 0.00 0.00 176.54 176.27 1y1b h ALA 32 N 1.44 0.01 0.00 3.60 0.00 0.42 -2.40 119.26 122.34 1y1b h ALA 32 Ca -0.01 -0.33 -0.01 0.00 0.00 0.00 0.00 54.91 54.57 1y1b h ALA 32 Cb 1.18 0.07 -0.00 0.00 0.00 0.00 0.00 17.79 19.03 1y1b h ALA 32 CO 0.07 0.06 -0.06 1.03 0.00 0.00 0.00 179.25 180.36 1y1b h SER 33 N -1.00 0.00 0.71 0.00 0.87 0.33 0.43 113.55 114.90 1y1b h SER 33 Ca -0.02 0.00 -0.26 0.00 -1.23 0.00 0.00 61.79 60.28 1y1b h SER 33 Cb 0.57 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.49 1y1b h SER 33 CO -0.01 0.06 -1.34 0.00 -0.53 0.00 0.00 176.83 175.01 1y1b n ARG 35 N -3.28 2.40 0.00 0.00 5.12 -0.82 -4.79 116.66 115.29 1y1b n ARG 35 Ca -0.09 -2.16 0.00 0.00 -1.93 0.00 0.00 57.85 53.67 1y1b n ARG 35 Cb 1.00 -1.49 0.00 0.00 -1.16 0.00 0.00 32.46 30.81 1y1b n ARG 35 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 1y1b n SER 36 N 1.41 0.00 0.00 0.55 2.88 0.15 -5.02 113.62 113.59 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 0.59 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.05 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 -4.11 -3.46 -0.08 -1.26 -5.08 116.55 102.56 1y1b n ASP 37 Ca 0.00 0.00 -0.34 0.00 -1.51 0.00 0.00 54.79 52.94 1y1b n ASP 37 Cb 0.00 0.00 -0.13 0.00 2.34 0.00 0.00 41.12 43.33 1y1b n ASP 37 CO 0.00 0.00 0.00 -0.89 0.12 0.00 0.00 177.20 176.43 1y1b s THR 38 N 0.00 2.89 -0.89 5.18 2.01 -1.26 -5.04 115.64 118.52 1y1b s THR 38 Ca 0.00 -1.92 -0.19 0.00 0.31 0.00 0.00 61.69 59.89 1y1b s THR 38 Cb 0.00 -2.91 -0.24 0.00 0.01 0.00 0.00 72.50 69.36 1y1b s THR 38 CO 0.00 -0.47 2.34 -2.65 -0.69 0.00 0.00 174.62 173.16 1y1b n PRO 39 N 4.51 0.25 -0.56 4.92 -0.02 -1.26 -4.86 135.00 137.98 1y1b n PRO 39 Ca -0.04 -0.23 -0.30 0.00 -2.02 0.00 0.00 63.50 60.90 1y1b n PRO 39 Cb 0.42 -2.05 0.27 0.00 -0.02 0.00 0.00 33.50 32.13 1y1b n PRO 39 CO 0.00 0.00 0.00 0.96 1.98 0.00 0.00 175.50 178.44 1y1b s ILE 40 N 6.75 1.34 0.30 4.25 -4.36 -1.26 -5.07 121.20 123.14 1y1b s ILE 40 Ca 1.19 0.00 0.05 0.00 -0.26 0.00 0.00 60.65 61.63 1y1b s ILE 40 Cb -0.66 -2.17 -0.02 0.00 1.25 0.00 0.00 42.46 40.85 1y1b s ILE 40 CO 0.40 0.00 0.18 -0.62 0.24 0.00 0.00 174.94 175.14 1y1b n GLU 41 N -5.39 0.47 -5.26 0.37 1.02 -1.17 -4.95 120.64 105.73 1y1b n GLU 41 Ca 0.12 -2.76 -0.31 0.00 -0.02 0.00 0.00 57.16 54.19 1y1b n GLU 41 Cb 0.60 1.92 -0.16 0.00 -0.02 0.00 0.00 31.44 33.78 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 2.10 -0.02 -4.62 1.98 -1.26 0.12 118.68 116.98 1y1b s LEU 42 Ca 0.26 -0.48 -0.03 0.00 -2.89 0.00 0.00 54.13 50.99 1y1b s LEU 42 Cb 0.01 -1.37 -0.02 0.00 0.66 0.00 0.00 46.19 45.47 1y1b s LEU 42 CO 0.18 0.27 -0.06 1.33 -1.89 0.00 0.00 176.35 176.18 1y1b n VAL 43 N 2.75 0.59 -4.15 1.68 0.24 -0.30 -4.68 118.33 114.45 1y1b n VAL 43 Ca -0.17 0.07 -0.16 0.00 -2.04 0.00 0.00 64.34 62.04 1y1b n VAL 43 Cb 0.52 -1.62 -0.12 0.00 -1.47 0.00 0.00 33.84 31.15 1y1b n VAL 43 CO 0.00 0.00 0.00 -1.00 -2.14 0.00 0.00 176.83 173.69 1y1b s HIS 44 N -2.11 0.94 -1.01 6.34 3.76 -1.03 -5.02 115.29 117.16 1y1b s HIS 44 Ca -0.06 -0.43 -0.04 0.00 -0.15 0.00 0.00 55.06 54.37 1y1b s HIS 44 Cb 0.02 -0.55 0.17 0.00 1.11 0.00 0.00 32.58 33.33 1y1b s HIS 44 CO 0.08 -0.01 2.33 1.63 -0.85 0.00 0.00 174.74 177.92 1y1b n LYS 45 N 1.56 4.09 0.00 1.40 5.02 -1.26 -0.09 118.16 128.88 1y1b n LYS 45 Ca -0.21 -3.46 0.00 0.00 -2.02 0.00 0.00 58.31 52.62 1y1b n LYS 45 Cb 0.55 -2.45 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 0.93 0.95 2.29 0.72 0.00 -0.57 -4.74 105.19 104.77 1y1b n GLY 46 Ca 0.55 -0.47 -0.32 0.00 0.00 0.00 0.00 46.02 45.78 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 3.38 -0.09 1.61 1.74 -1.19 -2.42 116.66 119.68 1y1b n ARG 47 Ca 0.00 -2.19 0.00 0.00 -0.77 0.00 0.00 57.85 54.89 1y1b n ARG 47 Cb 0.00 -2.52 0.00 0.00 -1.02 0.00 0.00 32.46 28.92 1y1b n ARG 47 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11