#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 0.41 -3.67 -1.58 -0.02 -1.26 -5.07 135.00 123.82 1y1b n PRO 2 Ca 0.00 0.00 -0.05 0.00 -2.02 0.00 0.00 63.50 61.43 1y1b n PRO 2 Cb 0.00 0.00 -0.01 0.00 -0.02 0.00 0.00 33.50 33.47 1y1b n PRO 2 CO 0.00 0.00 0.00 0.16 1.98 0.00 0.00 175.50 177.64 1y1b s ASP 3 N -1.58 -0.22 0.08 2.55 -4.77 -1.26 -4.96 116.67 106.51 1y1b s ASP 3 Ca 0.00 -0.26 -0.31 0.00 -3.30 0.00 0.00 52.55 48.68 1y1b s ASP 3 Cb 0.00 0.43 -0.08 0.00 -1.09 0.00 0.00 42.92 42.18 1y1b s ASP 3 CO 0.00 -0.77 1.63 0.00 0.70 0.00 0.00 175.17 176.73 1y1b n PRO 5 N 5.36 0.15 -3.02 0.00 -0.04 -1.26 -4.95 135.00 131.24 1y1b n PRO 5 Ca 0.15 -0.47 -0.28 0.00 -0.04 0.00 0.00 63.50 62.86 1y1b n PRO 5 Cb 0.40 -0.19 -0.04 0.00 -0.04 0.00 0.00 33.50 33.63 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 0.00 4.53 -2.12 1.53 4.77 -1.26 -4.97 117.00 119.49 1y1b n LEU 6 Ca 0.03 -5.62 -0.03 0.00 -0.03 0.00 0.00 56.01 50.37 1y1b n LEU 6 Cb 0.11 -0.63 -0.02 0.00 -2.33 0.00 0.00 43.42 40.55 1y1b n LEU 6 CO 0.08 2.27 -0.41 -0.38 -1.33 0.00 0.00 177.39 177.62 1y1b n ILE 7 N 0.01 -9.37 0.00 -0.08 5.41 -1.26 -5.04 119.36 109.04 1y1b n ILE 7 Ca 0.32 1.85 0.00 0.00 1.00 0.00 0.00 62.75 65.91 1y1b n ILE 7 Cb 0.39 -5.36 0.00 0.00 -0.71 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 s THR 9 N -0.01 0.00 -0.36 0.00 -1.32 -1.26 -5.03 115.64 107.66 1y1b s THR 9 Ca 0.00 -0.16 0.08 0.00 -1.21 0.00 0.00 61.69 60.40 1y1b s THR 9 Cb 0.00 -1.18 0.70 0.00 -1.51 0.00 0.00 72.50 70.51 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 -0.36 3.34 -1.69 7.08 2.81 -1.26 -4.73 117.12 122.30 1y1b n MET 10 Ca -0.13 -2.93 -0.40 0.00 -1.81 0.00 0.00 57.70 52.43 1y1b n MET 10 Cb 0.63 -2.17 -0.01 0.00 -0.71 0.00 0.00 33.22 30.96 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 -0.32 3.73 0.00 0.03 6.02 -1.26 -4.91 117.38 120.67 1y1b n GLN 11 Ca 0.43 -2.76 0.00 0.00 -0.01 0.00 0.00 57.00 54.67 1y1b n GLN 11 Cb 1.42 -2.88 0.00 0.00 1.02 0.00 0.00 30.24 29.80 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 3.71 0.00 -3.18 1.08 9.36 -1.26 -4.81 117.16 122.05 1y1b n TYR 12 Ca 0.64 0.00 -0.23 0.00 3.32 0.00 0.00 57.90 61.63 1y1b n TYR 12 Cb 0.28 0.00 -0.05 0.00 -0.63 0.00 0.00 39.34 38.94 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 1.71 -4.69 2.98 -0.08 -1.03 -5.07 116.55 110.36 1y1b n ASP 13 Ca 0.00 -3.09 -0.54 0.00 -1.51 0.00 0.00 54.79 49.65 1y1b n ASP 13 Cb 0.00 -0.62 -0.06 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 0.65 1.48 -4.72 -0.67 -0.04 -1.15 -4.02 135.00 126.53 1y1b n PRO 14 Ca 0.26 0.54 -0.25 0.00 -0.04 0.00 0.00 63.50 64.00 1y1b n PRO 14 Cb 0.53 -2.27 -0.16 0.00 -0.04 0.00 0.00 33.50 31.56 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 3.19 1.29 -0.13 0.52 -7.23 -0.66 -0.66 120.40 116.72 1y1b s VAL 15 Ca 0.94 -0.61 -0.29 0.00 -1.81 0.00 0.00 61.98 60.21 1y1b s VAL 15 Cb -0.93 -1.14 -0.01 0.00 0.56 0.00 0.00 36.38 34.86 1y1b s VAL 15 CO 0.58 0.38 1.12 0.00 -0.31 0.00 0.00 175.10 176.87 1y1b s GLY 17 N 1.39 2.05 -0.83 0.00 0.00 0.48 -2.04 107.32 108.38 1y1b s GLY 17 Ca 0.50 -0.69 -0.23 0.00 0.00 0.00 0.00 44.72 44.31 1y1b s GLY 17 CO 0.15 -0.21 2.42 -1.26 0.00 0.00 0.00 173.10 174.20 1y1b n SER 18 N 2.62 0.65 0.00 1.64 2.88 0.46 -1.55 113.62 120.32 1y1b n SER 18 Ca -0.18 -0.58 0.00 0.00 -1.33 0.00 0.00 58.87 56.78 1y1b n SER 18 Cb 0.54 -1.15 0.00 0.00 -0.75 0.00 0.00 64.21 62.85 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 12.42 0.00 0.00 -3.46 2.03 -1.26 -3.08 116.55 123.20 1y1b n ASP 19 Ca 0.55 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.86 1y1b n ASP 19 Cb 0.28 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.68 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 2.81 0.27 0.00 -0.59 -5.13 105.19 104.37 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 0.14 -0.64 -0.61 -1.09 -1.20 -5.01 121.20 110.80 1y1b s ILE 21 Ca 0.00 0.11 -0.22 0.00 -2.23 0.00 0.00 60.65 58.31 1y1b s ILE 21 Cb 0.00 -0.25 0.08 0.00 -1.58 0.00 0.00 42.46 40.71 1y1b s ILE 21 CO 0.00 0.14 0.89 -0.89 -1.23 0.00 0.00 174.94 173.85 1y1b s THR 22 N 1.07 4.46 0.70 2.92 2.01 -1.26 -0.38 115.64 125.15 1y1b s THR 22 Ca -0.09 -0.52 -0.11 0.00 0.31 0.00 0.00 61.69 61.27 1y1b s THR 22 Cb -0.13 -4.63 0.01 0.00 0.01 0.00 0.00 72.50 67.76 1y1b s THR 22 CO -0.02 -1.37 1.09 -0.31 -0.69 0.00 0.00 174.62 173.32 1y1b s TYR 23 N 3.70 3.31 0.15 4.92 1.51 -0.10 -4.82 117.35 126.01 1y1b s TYR 23 Ca 0.19 1.10 0.34 0.00 -1.01 0.00 0.00 57.07 57.69 1y1b s TYR 23 Cb -0.19 -3.03 1.44 0.00 -0.11 0.00 0.00 41.96 40.07 1y1b s TYR 23 CO 0.09 -1.18 2.01 0.78 -1.11 0.00 0.00 175.55 176.14 1y1b h GLY 24 N -0.66 0.00 -4.92 0.71 0.00 -1.89 -1.75 103.07 94.57 1y1b h GLY 24 Ca -0.45 0.00 0.16 0.00 0.00 0.00 0.00 47.33 47.04 1y1b h GLY 24 CO 0.63 0.00 0.75 -1.31 0.00 0.00 0.00 176.54 176.61 1y1b s ASN 25 N -5.68 -0.20 0.60 0.19 0.01 -1.26 -2.48 114.94 106.13 1y1b s ASN 25 Ca 0.01 0.25 0.29 0.00 -0.71 0.00 0.00 52.86 52.69 1y1b s ASN 25 Cb 0.09 0.21 1.53 0.00 0.41 0.00 0.00 41.25 43.49 1y1b s ASN 25 CO 0.54 -0.15 1.94 0.00 -1.51 0.00 0.00 177.10 177.91 1y1b h ALA 26 N 2.55 2.01 0.04 0.60 0.00 -1.88 0.54 119.26 123.12 1y1b h ALA 26 Ca -0.16 -0.01 -0.26 0.00 0.00 0.00 0.00 54.91 54.48 1y1b h ALA 26 Cb 1.18 0.03 0.01 0.00 0.00 0.00 0.00 17.79 19.01 1y1b h ALA 26 CO 0.24 -0.59 -1.06 0.00 0.00 0.00 0.00 179.25 177.84 1y1b h MET 28 N 0.27 0.00 0.31 0.00 2.86 -0.33 -2.84 114.93 115.21 1y1b h MET 28 Ca -0.12 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.50 1y1b h MET 28 Cb 1.71 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.38 1y1b h MET 28 CO 0.19 0.00 -0.15 -0.07 1.06 0.00 0.00 176.91 177.94 1y1b h LEU 29 N 0.00 -0.36 -1.97 1.22 3.38 -1.05 -1.98 115.31 114.56 1y1b h LEU 29 Ca 0.00 0.01 0.31 0.00 0.09 0.00 0.00 57.88 58.29 1y1b h LEU 29 Cb 0.38 0.09 -0.04 0.00 0.09 0.00 0.00 40.66 41.18 1y1b h LEU 29 CO 0.00 0.05 0.80 0.17 0.09 0.00 0.00 178.44 179.54 1y1b h LEU 30 N -1.03 0.00 -0.53 1.67 -0.00 -1.42 2.58 115.31 116.58 1y1b h LEU 30 Ca -0.04 0.00 -0.14 0.00 -0.00 0.00 0.00 57.88 57.70 1y1b h LEU 30 Cb 0.32 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 40.96 1y1b h LEU 30 CO 0.07 0.00 -0.66 1.23 -0.00 0.00 0.00 178.44 179.08 1y1b h GLY 31 N 0.00 0.00 0.00 0.17 0.00 -1.47 -2.49 103.07 99.28 1y1b h GLY 31 Ca 0.51 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.78 1y1b h GLY 31 CO -0.01 0.00 -0.40 0.00 0.00 0.00 0.00 176.54 176.13 1y1b h ALA 32 N 1.34 0.07 -0.71 3.60 0.00 0.49 -2.88 119.26 121.17 1y1b h ALA 32 Ca -0.01 -0.60 0.12 0.00 0.00 0.00 0.00 54.91 54.43 1y1b h ALA 32 Cb 1.26 0.26 -0.05 0.00 0.00 0.00 0.00 17.79 19.26 1y1b h ALA 32 CO 0.09 0.25 0.47 1.03 0.00 0.00 0.00 179.25 181.09 1y1b h SER 33 N -1.00 0.44 0.01 0.00 0.87 0.40 0.58 113.55 114.84 1y1b h SER 33 Ca -0.09 0.02 -0.12 0.00 -1.23 0.00 0.00 61.79 60.37 1y1b h SER 33 Cb 0.83 -0.07 0.01 0.00 -0.44 0.00 0.00 62.40 62.73 1y1b h SER 33 CO -0.06 0.25 -0.46 0.00 -0.53 0.00 0.00 176.83 176.03 1y1b n ARG 35 N -4.34 1.66 0.00 0.00 1.85 -0.85 -4.62 116.66 110.36 1y1b n ARG 35 Ca -0.10 -1.02 0.00 0.00 -1.00 0.00 0.00 57.85 55.72 1y1b n ARG 35 Cb 0.61 -1.24 0.00 0.00 -1.05 0.00 0.00 32.46 30.78 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 0.32 0.00 0.00 2.89 2.88 0.20 -5.01 113.62 114.90 1y1b n SER 36 Ca 0.10 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.64 1y1b n SER 36 Cb 0.25 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.71 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 -4.80 -3.46 5.75 -1.25 -5.08 116.55 107.70 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 -0.07 0.00 -1.03 0.00 0.00 41.12 40.02 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 -0.47 4.89 -1.13 2.12 -4.23 -1.26 -5.02 115.64 110.54 1y1b s THR 38 Ca 0.00 -0.29 -0.22 0.00 -1.18 0.00 0.00 61.69 60.00 1y1b s THR 38 Cb 0.00 -3.22 -0.09 0.00 1.34 0.00 0.00 72.50 70.53 1y1b s THR 38 CO 0.00 0.40 1.92 -0.81 -0.54 0.00 0.00 174.62 175.59 1y1b n PRO 39 N 1.32 1.65 -2.04 3.99 -0.04 -1.26 -4.70 135.00 133.92 1y1b n PRO 39 Ca -0.14 -2.41 -0.36 0.00 -0.04 0.00 0.00 63.50 60.54 1y1b n PRO 39 Cb 0.53 -3.60 0.03 0.00 -0.04 0.00 0.00 33.50 30.41 1y1b n PRO 39 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1y1b s ILE 40 N 9.89 2.68 0.26 0.52 1.01 -1.26 -5.00 121.20 129.30 1y1b s ILE 40 Ca 0.66 0.44 0.05 0.00 0.00 0.00 0.00 60.65 61.80 1y1b s ILE 40 Cb 0.02 -3.18 -0.02 0.00 0.01 0.00 0.00 42.46 39.29 1y1b s ILE 40 CO 0.13 -0.08 0.18 -0.62 0.00 0.00 0.00 174.94 174.55 1y1b n GLU 41 N -1.42 0.41 -4.27 2.79 1.02 -1.18 -4.89 120.64 113.10 1y1b n GLU 41 Ca 0.13 -2.47 -0.34 0.00 -0.02 0.00 0.00 57.16 54.45 1y1b n GLU 41 Cb 0.49 1.81 -0.11 0.00 -0.02 0.00 0.00 31.44 33.62 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 3.53 0.00 -4.62 1.98 -1.26 0.17 118.68 118.49 1y1b s LEU 42 Ca 0.25 0.02 0.00 0.00 -2.89 0.00 0.00 54.13 51.51 1y1b s LEU 42 Cb 0.01 -1.85 0.00 0.00 0.66 0.00 0.00 46.19 45.01 1y1b s LEU 42 CO 0.18 0.23 0.00 1.33 -1.89 0.00 0.00 176.35 176.20 1y1b n VAL 43 N 3.11 0.00 -4.38 1.68 0.24 -0.86 -4.75 118.33 113.37 1y1b n VAL 43 Ca -0.17 0.00 -0.19 0.00 -2.04 0.00 0.00 64.34 61.93 1y1b n VAL 43 Cb 0.53 -0.95 -0.15 0.00 -1.47 0.00 0.00 33.84 31.80 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 -1.96 0.85 -1.09 6.34 3.76 -1.14 -5.03 115.29 117.03 1y1b s HIS 44 Ca 0.00 -0.18 -0.04 0.00 -0.15 0.00 0.00 55.06 54.69 1y1b s HIS 44 Cb 0.00 -0.57 0.14 0.00 1.11 0.00 0.00 32.58 33.26 1y1b s HIS 44 CO 0.00 -0.04 2.39 1.63 -0.85 0.00 0.00 174.74 177.87 1y1b n LYS 45 N 2.99 4.19 -1.30 1.40 5.02 -1.26 -0.42 118.16 128.77 1y1b n LYS 45 Ca -0.15 -3.37 0.00 0.00 -2.02 0.00 0.00 58.31 52.77 1y1b n LYS 45 Cb 0.56 -2.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.07 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 1.26 -0.70 2.30 0.72 0.00 0.16 -4.79 105.19 104.14 1y1b n GLY 46 Ca 0.58 -0.42 -0.33 0.00 0.00 0.00 0.00 46.02 45.85 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 3.48 -0.19 1.61 1.74 -1.26 -2.61 116.66 119.43 1y1b n ARG 47 Ca 0.00 -2.26 0.00 0.00 -0.77 0.00 0.00 57.85 54.82 1y1b n ARG 47 Cb 0.00 -2.56 0.00 0.00 -1.02 0.00 0.00 32.46 28.88 1y1b n ARG 47 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11