#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 1.36 -4.27 1.97 -0.04 -1.26 -4.62 135.00 128.14 1y1b n PRO 2 Ca 0.00 -0.70 -0.23 0.00 -0.04 0.00 0.00 63.50 62.53 1y1b n PRO 2 Cb 0.00 -1.27 -0.12 0.00 -0.04 0.00 0.00 33.50 32.06 1y1b n PRO 2 CO 0.00 0.00 0.00 0.16 -0.04 0.00 0.00 175.50 175.62 1y1b s ASP 3 N 1.17 2.37 -0.06 3.54 1.47 -1.25 -4.05 116.67 119.85 1y1b s ASP 3 Ca 0.14 -0.69 -0.29 0.00 1.18 0.00 0.00 52.55 52.89 1y1b s ASP 3 Cb 0.11 -0.12 -0.02 0.00 -0.34 0.00 0.00 42.92 42.55 1y1b s ASP 3 CO -0.00 0.02 0.97 0.00 0.68 0.00 0.00 175.17 176.84 1y1b s PRO 5 N 1.52 2.02 -0.92 0.00 0.04 -1.26 -4.91 135.00 131.49 1y1b s PRO 5 Ca 0.49 -0.80 -0.01 0.00 0.04 0.00 0.00 61.00 60.72 1y1b s PRO 5 Cb -0.19 -2.33 0.26 0.00 0.04 0.00 0.00 34.50 32.28 1y1b s PRO 5 CO 0.22 -1.20 1.04 1.47 0.04 0.00 0.00 177.00 178.57 1y1b n LEU 6 N -2.73 4.96 -0.46 -3.56 -0.00 -1.26 -4.93 117.00 109.03 1y1b n LEU 6 Ca 0.11 -5.23 0.00 0.00 -0.00 0.00 0.00 56.01 50.89 1y1b n LEU 6 Cb 0.60 -1.09 0.00 0.00 -0.00 0.00 0.00 43.42 42.94 1y1b n LEU 6 CO 0.45 1.71 -0.13 -0.38 -0.00 0.00 0.00 177.39 179.04 1y1b n ILE 7 N 1.65 -1.83 0.00 1.47 -0.00 -1.26 -5.11 119.36 114.28 1y1b n ILE 7 Ca 0.25 0.62 0.00 0.00 -0.00 0.00 0.00 62.75 63.62 1y1b n ILE 7 Cb 0.37 -0.89 0.00 0.00 -0.00 0.00 0.00 39.64 39.12 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 0.00 0.00 -3.11 0.00 5.66 -1.26 -4.97 114.28 110.60 1y1b n THR 9 Ca 0.00 0.00 -0.19 0.00 -3.05 0.00 0.00 64.05 60.81 1y1b n THR 9 Cb 0.00 0.00 -0.04 0.00 -1.55 0.00 0.00 70.33 68.74 1y1b n THR 9 CO 0.00 0.00 0.00 0.80 -3.05 0.00 0.00 175.07 172.82 1y1b n MET 10 N 0.00 -1.51 0.00 1.09 1.56 -1.26 -4.54 117.12 112.46 1y1b n MET 10 Ca 0.00 0.06 0.00 0.00 -0.27 0.00 0.00 57.70 57.49 1y1b n MET 10 Cb 0.00 -3.58 0.00 0.00 2.15 0.00 0.00 33.22 31.79 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 -2.71 0.00 -3.89 2.12 0.00 -1.26 -0.42 117.38 111.22 1y1b n GLN 11 Ca 0.05 0.00 -0.29 0.00 -0.00 0.00 0.00 57.00 56.77 1y1b n GLN 11 Cb 0.36 0.00 -0.13 0.00 0.00 0.00 0.00 30.24 30.48 1y1b n GLN 11 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.06 177.77 1y1b s TYR 12 N -0.19 3.24 -0.55 3.69 2.02 -1.26 -4.79 117.35 119.51 1y1b s TYR 12 Ca 0.00 -3.19 0.06 0.00 -0.37 0.00 0.00 57.07 53.57 1y1b s TYR 12 Cb 0.00 -2.64 0.32 0.00 -0.40 0.00 0.00 41.96 39.25 1y1b s TYR 12 CO 0.00 -0.64 0.87 -3.47 -1.57 0.00 0.00 175.55 170.74 1y1b n ASP 13 N 2.52 3.72 -4.47 2.29 -0.08 0.63 -5.03 116.55 116.13 1y1b n ASP 13 Ca 0.14 -3.52 -0.45 0.00 -1.51 0.00 0.00 54.79 49.44 1y1b n ASP 13 Cb 0.34 -0.59 -0.08 0.00 2.34 0.00 0.00 41.12 43.13 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 0.05 0.78 -4.36 -0.67 -0.04 -1.16 -3.19 135.00 126.41 1y1b n PRO 14 Ca 0.30 0.14 -0.33 0.00 -0.04 0.00 0.00 63.50 63.57 1y1b n PRO 14 Cb 0.44 -2.44 -0.16 0.00 -0.04 0.00 0.00 33.50 31.30 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 8.80 2.25 -0.01 0.52 -7.23 0.20 -0.23 120.40 124.70 1y1b s VAL 15 Ca 1.13 -0.89 -0.30 0.00 -1.81 0.00 0.00 61.98 60.11 1y1b s VAL 15 Cb -0.82 -1.94 -0.03 0.00 0.56 0.00 0.00 36.38 34.16 1y1b s VAL 15 CO 0.44 0.53 1.05 0.00 -0.31 0.00 0.00 175.10 176.81 1y1b s GLY 17 N 1.07 1.76 -0.81 0.00 0.00 0.11 -1.61 107.32 107.84 1y1b s GLY 17 Ca 0.53 -1.02 -0.23 0.00 0.00 0.00 0.00 44.72 44.00 1y1b s GLY 17 CO 0.26 -0.89 2.42 -1.26 0.00 0.00 0.00 173.10 173.63 1y1b n SER 18 N 1.52 0.79 0.00 1.64 2.88 0.41 -1.84 113.62 119.02 1y1b n SER 18 Ca -0.15 -0.61 0.00 0.00 -1.33 0.00 0.00 58.87 56.78 1y1b n SER 18 Cb 0.53 -1.19 0.00 0.00 -0.75 0.00 0.00 64.21 62.79 1y1b n SER 18 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 1y1b n ASP 19 N 12.89 0.00 0.00 -3.46 5.75 -1.26 -3.01 116.55 127.46 1y1b n ASP 19 Ca 0.54 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 55.32 1y1b n ASP 19 Cb 0.30 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.39 1y1b n ASP 19 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1y1b n GLY 20 N 0.00 1.85 3.05 6.12 0.00 -0.77 -5.13 105.19 110.31 1y1b n GLY 20 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.85 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 0.72 -0.55 -0.61 -1.09 -1.20 -5.01 121.20 111.47 1y1b s ILE 21 Ca 0.00 -0.65 -0.12 0.00 -2.23 0.00 0.00 60.65 57.65 1y1b s ILE 21 Cb 0.00 -0.66 0.14 0.00 -1.58 0.00 0.00 42.46 40.36 1y1b s ILE 21 CO 0.00 0.02 0.46 -0.89 -1.23 0.00 0.00 174.94 173.31 1y1b s THR 22 N -0.58 4.79 0.25 2.92 2.01 -1.26 0.09 115.64 123.85 1y1b s THR 22 Ca 0.00 -1.78 -0.27 0.00 0.31 0.00 0.00 61.69 59.95 1y1b s THR 22 Cb -0.06 -4.09 -0.09 0.00 0.01 0.00 0.00 72.50 68.28 1y1b s THR 22 CO 0.00 -0.85 0.88 -0.31 -0.69 0.00 0.00 174.62 173.66 1y1b s TYR 23 N 1.28 3.85 -0.54 4.92 1.51 0.04 -4.80 117.35 123.61 1y1b s TYR 23 Ca 0.06 1.76 0.11 0.00 -1.01 0.00 0.00 57.07 57.99 1y1b s TYR 23 Cb -0.26 -2.88 0.58 0.00 -0.11 0.00 0.00 41.96 39.29 1y1b s TYR 23 CO -0.00 0.38 1.30 0.41 -1.11 0.00 0.00 175.55 176.54 1y1b n GLY 24 N 1.15 -0.66 0.00 0.71 0.00 -1.26 0.59 105.19 105.72 1y1b n GLY 24 Ca -0.02 0.10 0.00 0.00 0.00 0.00 0.00 46.02 46.10 1y1b n GLY 24 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1y1b n ASN 25 N -1.87 0.00 -0.18 1.61 2.85 -1.19 -0.27 115.26 116.21 1y1b n ASN 25 Ca -0.01 0.00 0.27 0.00 -0.11 0.00 0.00 54.58 54.73 1y1b n ASN 25 Cb 0.05 0.00 0.69 0.00 1.24 0.00 0.00 39.78 41.77 1y1b n ASN 25 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1y1b h ALA 26 N 0.00 2.74 0.01 5.20 0.00 -1.84 0.57 119.26 125.94 1y1b h ALA 26 Ca 0.00 -0.02 -0.27 0.00 0.00 0.00 0.00 54.91 54.62 1y1b h ALA 26 Cb 0.00 0.05 0.02 0.00 0.00 0.00 0.00 17.79 17.86 1y1b h ALA 26 CO 0.00 -1.00 -1.05 0.00 0.00 0.00 0.00 179.25 177.20 1y1b h MET 28 N 0.37 0.00 0.23 0.00 2.86 -0.32 -2.20 114.93 115.88 1y1b h MET 28 Ca -0.13 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.50 1y1b h MET 28 Cb 1.70 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.36 1y1b h MET 28 CO 0.20 0.00 -0.11 -0.07 1.06 0.00 0.00 176.91 177.99 1y1b h LEU 29 N 0.00 -0.26 -1.83 1.22 3.38 -0.50 -2.29 115.31 115.02 1y1b h LEU 29 Ca 0.00 -0.26 0.33 0.00 0.09 0.00 0.00 57.88 58.04 1y1b h LEU 29 Cb 0.16 0.07 -0.06 0.00 0.09 0.00 0.00 40.66 40.92 1y1b h LEU 29 CO 0.00 0.23 0.81 -0.07 0.09 0.00 0.00 178.44 179.50 1y1b h LEU 30 N -0.87 0.11 -0.76 1.67 3.38 -1.25 2.71 115.31 120.30 1y1b h LEU 30 Ca -0.03 0.02 -0.13 0.00 0.09 0.00 0.00 57.88 57.83 1y1b h LEU 30 Cb 0.51 0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.25 1y1b h LEU 30 CO 0.05 0.01 -0.57 1.23 0.09 0.00 0.00 178.44 179.26 1y1b h GLY 31 N 0.10 0.16 0.00 0.83 0.00 -1.37 -2.48 103.07 100.31 1y1b h GLY 31 Ca 0.58 -0.19 -0.01 0.00 0.00 0.00 0.00 47.33 47.70 1y1b h GLY 31 CO -0.09 0.17 -0.12 0.00 0.00 0.00 0.00 176.54 176.51 1y1b h ALA 32 N 1.30 0.02 -1.03 3.60 0.00 0.49 -2.36 119.26 121.28 1y1b h ALA 32 Ca -0.00 -0.31 0.26 0.00 0.00 0.00 0.00 54.91 54.87 1y1b h ALA 32 Cb 1.04 0.08 -0.11 0.00 0.00 0.00 0.00 17.79 18.80 1y1b h ALA 32 CO 0.08 0.08 0.63 1.03 0.00 0.00 0.00 179.25 181.08 1y1b h SER 33 N -1.00 0.57 0.98 0.00 0.87 0.46 0.70 113.55 116.13 1y1b h SER 33 Ca -0.02 0.12 -0.21 0.00 -1.23 0.00 0.00 61.79 60.45 1y1b h SER 33 Cb 0.50 0.03 -0.03 0.00 -0.44 0.00 0.00 62.40 62.47 1y1b h SER 33 CO -0.01 0.07 -1.04 0.00 -0.53 0.00 0.00 176.83 175.32 1y1b h ARG 35 N 0.00 0.00 0.00 0.00 0.11 0.09 -3.43 114.38 111.15 1y1b h ARG 35 Ca -0.04 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.04 1y1b h ARG 35 Cb 1.77 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.85 1y1b h ARG 35 CO 0.12 0.00 0.00 0.45 0.10 0.00 0.00 179.97 180.64 1y1b n SER 36 N -2.72 0.00 0.00 0.08 2.88 0.21 -5.05 113.62 109.01 1y1b n SER 36 Ca 0.03 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.57 1y1b n SER 36 Cb 0.52 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.98 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 -4.38 -3.46 5.75 -1.25 -5.09 116.55 108.11 1y1b n ASP 37 Ca 0.00 0.00 -0.34 0.00 -0.01 0.00 0.00 54.79 54.44 1y1b n ASP 37 Cb 0.00 0.00 -0.13 0.00 -1.03 0.00 0.00 41.12 39.96 1y1b n ASP 37 CO 0.00 0.00 0.00 0.42 -0.11 0.00 0.00 177.20 177.51 1y1b s THR 38 N 0.00 3.53 -0.86 2.12 -4.23 -1.26 -5.03 115.64 109.91 1y1b s THR 38 Ca 0.00 -0.46 -0.25 0.00 -1.18 0.00 0.00 61.69 59.80 1y1b s THR 38 Cb 0.00 -2.57 -0.17 0.00 1.34 0.00 0.00 72.50 71.10 1y1b s THR 38 CO 0.00 0.45 2.33 -2.65 -0.54 0.00 0.00 174.62 174.21 1y1b n PRO 39 N 4.23 0.43 -0.89 3.99 -0.02 -1.26 -4.82 135.00 136.65 1y1b n PRO 39 Ca -0.18 -1.01 -0.30 0.00 -2.02 0.00 0.00 63.50 60.00 1y1b n PRO 39 Cb 0.52 -3.64 0.24 0.00 -0.02 0.00 0.00 33.50 30.59 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 14.85 1.67 0.27 4.25 -0.00 -1.26 -5.08 121.20 135.90 1y1b s ILE 40 Ca 0.91 0.00 0.06 0.00 -0.00 0.00 0.00 60.65 61.62 1y1b s ILE 40 Cb -0.14 -2.35 -0.02 0.00 -0.00 0.00 0.00 42.46 39.95 1y1b s ILE 40 CO 0.12 0.00 0.21 -0.62 -0.00 0.00 0.00 174.94 174.65 1y1b n GLU 41 N -4.84 0.36 -3.93 0.37 1.02 -1.16 -4.90 120.64 107.56 1y1b n GLU 41 Ca 0.10 -2.62 -0.37 0.00 -0.02 0.00 0.00 57.16 54.25 1y1b n GLU 41 Cb 0.58 2.07 -0.07 0.00 -0.02 0.00 0.00 31.44 34.01 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 4.29 0.00 -4.62 1.98 -1.26 0.16 118.68 119.22 1y1b s LEU 42 Ca 0.30 0.42 0.00 0.00 -2.89 0.00 0.00 54.13 51.95 1y1b s LEU 42 Cb 0.01 -2.04 0.00 0.00 0.66 0.00 0.00 46.19 44.82 1y1b s LEU 42 CO 0.21 0.39 0.00 0.55 -1.89 0.00 0.00 176.35 175.61 1y1b n VAL 43 N 2.09 0.00 -4.58 1.68 3.14 -0.63 -4.67 118.33 115.36 1y1b n VAL 43 Ca -0.20 0.00 -0.28 0.00 -2.96 0.00 0.00 64.34 60.90 1y1b n VAL 43 Cb 0.55 -0.38 -0.17 0.00 -1.06 0.00 0.00 33.84 32.78 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 -1.55 1.96 -1.23 1.45 3.76 -0.96 -5.01 115.29 113.70 1y1b s HIS 44 Ca 0.00 -0.88 -0.07 0.00 -0.15 0.00 0.00 55.06 53.96 1y1b s HIS 44 Cb 0.00 -1.40 0.01 0.00 1.11 0.00 0.00 32.58 32.30 1y1b s HIS 44 CO 0.00 -0.44 2.72 1.63 -0.85 0.00 0.00 174.74 177.81 1y1b n LYS 45 N 4.04 3.87 0.00 1.40 4.76 -1.26 -0.06 118.16 130.91 1y1b n LYS 45 Ca -0.20 -2.72 0.00 0.00 -2.87 0.00 0.00 58.31 52.52 1y1b n LYS 45 Cb 0.52 -2.59 0.00 0.00 -1.84 0.00 0.00 35.03 31.12 1y1b n LYS 45 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1y1b n GLY 46 N 2.33 -0.90 2.49 0.72 0.00 0.68 -4.85 105.19 105.66 1y1b n GLY 46 Ca 0.65 -0.14 -0.38 0.00 0.00 0.00 0.00 46.02 46.15 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 4.29 -0.27 1.61 1.74 -1.24 -3.02 116.66 119.78 1y1b n ARG 47 Ca 0.00 -3.33 0.00 0.00 -0.77 0.00 0.00 57.85 53.75 1y1b n ARG 47 Cb 0.00 -2.55 0.00 0.00 -1.02 0.00 0.00 32.46 28.89 1y1b n ARG 47 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11