#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 1.44 -1.82 1.97 -0.04 -1.26 -4.28 135.00 131.00 1y1b n PRO 2 Ca 0.00 -0.88 -0.28 0.00 -0.04 0.00 0.00 63.50 62.30 1y1b n PRO 2 Cb 0.00 -1.34 0.04 0.00 -0.04 0.00 0.00 33.50 32.16 1y1b n PRO 2 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1y1b n ASP 3 N 0.71 5.88 -3.71 3.54 9.92 -1.26 -4.99 116.55 126.65 1y1b n ASP 3 Ca 0.17 -3.76 -0.14 0.00 -0.53 0.00 0.00 54.79 50.52 1y1b n ASP 3 Cb 0.59 -0.57 -0.08 0.00 -0.64 0.00 0.00 41.12 40.42 1y1b n ASP 3 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1y1b n PRO 5 N 1.62 1.54 -2.69 0.00 -0.04 -1.26 -4.80 135.00 129.37 1y1b n PRO 5 Ca -0.19 0.00 -0.06 0.00 -0.04 0.00 0.00 63.50 63.21 1y1b n PRO 5 Cb 0.56 0.00 0.08 0.00 -0.04 0.00 0.00 33.50 34.11 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 -1.76 -2.54 1.53 7.94 -1.26 -4.96 117.00 115.95 1y1b n LEU 6 Ca 0.00 -3.02 -0.03 0.00 -1.11 0.00 0.00 56.01 51.85 1y1b n LEU 6 Cb 0.00 0.40 0.00 0.00 0.53 0.00 0.00 43.42 44.36 1y1b n LEU 6 CO 0.00 1.73 -0.20 -0.38 -1.11 0.00 0.00 177.39 177.43 1y1b n ILE 7 N -0.37 -9.88 0.00 1.96 -0.00 -1.26 -5.03 119.36 104.77 1y1b n ILE 7 Ca -0.07 1.16 0.00 0.00 -0.00 0.00 0.00 62.75 63.84 1y1b n ILE 7 Cb 0.78 -6.55 0.00 0.00 -0.00 0.00 0.00 39.64 33.87 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 -0.34 0.00 -0.29 0.00 -1.32 -1.26 -5.02 115.64 107.41 1y1b s THR 9 Ca 0.00 -0.54 0.15 0.00 -1.21 0.00 0.00 61.69 60.09 1y1b s THR 9 Cb 0.00 -2.91 0.67 0.00 -1.51 0.00 0.00 72.50 68.75 1y1b s THR 9 CO 0.00 0.00 1.58 0.23 -2.21 0.00 0.00 174.62 174.22 1y1b n MET 10 N -0.73 3.87 -0.84 7.08 2.81 -1.26 -4.77 117.12 123.28 1y1b n MET 10 Ca -0.02 -2.97 -0.24 0.00 -1.81 0.00 0.00 57.70 52.66 1y1b n MET 10 Cb 0.59 -2.02 -0.03 0.00 -0.71 0.00 0.00 33.22 31.05 1y1b n MET 10 CO 0.00 0.00 0.00 0.94 1.51 0.00 0.00 175.97 178.42 1y1b n GLN 11 N 0.12 2.32 -0.41 0.03 7.27 -1.26 -4.86 117.38 120.59 1y1b n GLN 11 Ca 0.24 -1.52 -0.10 0.00 0.07 0.00 0.00 57.00 55.70 1y1b n GLN 11 Cb 1.02 -2.45 -0.05 0.00 2.41 0.00 0.00 30.24 31.17 1y1b n GLN 11 CO 0.00 0.00 0.00 0.66 0.07 0.00 0.00 177.06 177.79 1y1b n TYR 12 N 3.91 0.11 -3.08 3.69 4.02 -1.26 -4.79 117.16 119.76 1y1b n TYR 12 Ca 0.49 0.07 -0.24 0.00 -0.01 0.00 0.00 57.90 58.22 1y1b n TYR 12 Cb 0.20 -0.51 -0.04 0.00 -0.02 0.00 0.00 39.34 38.97 1y1b n TYR 12 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 176.86 172.38 1y1b n ASP 13 N 2.49 3.19 -4.52 7.72 2.03 0.88 -5.03 116.55 123.31 1y1b n ASP 13 Ca 0.18 -3.42 -0.26 0.00 0.52 0.00 0.00 54.79 51.81 1y1b n ASP 13 Cb 0.02 -0.59 -0.15 0.00 -0.72 0.00 0.00 41.12 39.68 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 0.11 0.28 -3.96 -0.67 -0.04 -1.04 -3.74 135.00 125.95 1y1b n PRO 14 Ca 0.29 -0.21 -0.35 0.00 -0.04 0.00 0.00 63.50 63.19 1y1b n PRO 14 Cb 0.47 -2.12 -0.09 0.00 -0.04 0.00 0.00 33.50 31.73 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 7.37 4.96 -0.17 0.52 -7.23 0.25 -1.95 120.40 124.15 1y1b s VAL 15 Ca 1.19 0.02 -0.29 0.00 -1.81 0.00 0.00 61.98 61.09 1y1b s VAL 15 Cb -0.67 -3.22 -0.00 0.00 0.56 0.00 0.00 36.38 33.04 1y1b s VAL 15 CO 0.39 0.49 1.09 0.00 -0.31 0.00 0.00 175.10 176.76 1y1b s GLY 17 N 1.35 2.13 -0.82 0.00 0.00 0.18 -1.97 107.32 108.20 1y1b s GLY 17 Ca 0.48 -0.69 -0.22 0.00 0.00 0.00 0.00 44.72 44.30 1y1b s GLY 17 CO 0.12 -0.46 2.36 1.44 0.00 0.00 0.00 173.10 176.56 1y1b n SER 18 N 1.76 0.89 0.00 1.64 7.64 0.45 -1.79 113.62 124.21 1y1b n SER 18 Ca -0.18 -1.01 0.00 0.00 1.01 0.00 0.00 58.87 58.69 1y1b n SER 18 Cb 0.54 -1.30 0.00 0.00 -1.01 0.00 0.00 64.21 62.44 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 14.31 0.00 0.00 6.43 2.03 -1.26 -3.03 116.55 135.03 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 0.34 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.74 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 1.75 3.17 0.27 0.00 -0.74 -5.15 105.19 104.49 1y1b n GLY 20 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 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 0.16 -0.33 -0.61 1.01 -1.21 -5.01 121.20 113.21 1y1b s ILE 21 Ca 0.00 -1.50 -0.03 0.00 0.00 0.00 0.00 60.65 59.11 1y1b s ILE 21 Cb 0.00 -1.51 0.06 0.00 0.01 0.00 0.00 42.46 41.02 1y1b s ILE 21 CO 0.00 -0.75 0.07 -0.89 0.00 0.00 0.00 174.94 173.37 1y1b s THR 22 N -3.91 3.26 -0.04 2.92 2.01 -1.26 0.52 115.64 119.13 1y1b s THR 22 Ca 0.08 -1.44 -0.16 0.00 0.31 0.00 0.00 61.69 60.48 1y1b s THR 22 Cb 0.06 -2.93 -0.05 0.00 0.01 0.00 0.00 72.50 69.59 1y1b s THR 22 CO -0.09 -0.24 0.42 -0.31 -0.69 0.00 0.00 174.62 173.72 1y1b s TYR 23 N 1.27 3.65 0.63 4.92 1.51 0.13 -4.80 117.35 124.67 1y1b s TYR 23 Ca -0.02 0.94 0.23 0.00 -1.01 0.00 0.00 57.07 57.21 1y1b s TYR 23 Cb -0.20 -2.37 1.08 0.00 -0.11 0.00 0.00 41.96 40.35 1y1b s TYR 23 CO -0.01 0.47 1.57 0.78 -1.11 0.00 0.00 175.55 177.26 1y1b h GLY 24 N 5.44 0.00 -4.67 0.71 0.00 -1.85 0.73 103.07 103.43 1y1b h GLY 24 Ca -0.48 0.00 0.17 0.00 0.00 0.00 0.00 47.33 47.02 1y1b h GLY 24 CO 0.67 0.00 0.76 -1.31 0.00 0.00 0.00 176.54 176.66 1y1b s ASN 25 N -4.12 -0.19 0.55 0.19 0.01 -1.25 -0.08 114.94 110.05 1y1b s ASN 25 Ca -0.03 0.20 0.31 0.00 -0.71 0.00 0.00 52.86 52.64 1y1b s ASN 25 Cb 0.10 0.16 1.47 0.00 0.41 0.00 0.00 41.25 43.39 1y1b s ASN 25 CO 0.35 -0.18 1.87 0.00 -1.51 0.00 0.00 177.10 177.62 1y1b h ALA 26 N 2.28 2.72 -0.09 0.60 0.00 -1.80 0.62 119.26 123.59 1y1b h ALA 26 Ca -0.13 -0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.66 1y1b h ALA 26 Cb 1.18 0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1y1b h ALA 26 CO 0.26 -1.06 -0.32 0.00 0.00 0.00 0.00 179.25 178.13 1y1b h MET 28 N -0.09 0.00 0.06 0.00 2.86 -0.28 -1.04 114.93 116.43 1y1b h MET 28 Ca -0.02 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.62 1y1b h MET 28 Cb 0.96 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.62 1y1b h MET 28 CO 0.07 0.01 -0.03 1.25 1.06 0.00 0.00 176.91 179.27 1y1b h LEU 29 N 0.00 -0.07 -1.37 1.22 6.46 -0.31 -2.10 115.31 119.14 1y1b h LEU 29 Ca -0.00 -0.24 0.27 0.00 -0.12 0.00 0.00 57.88 57.79 1y1b h LEU 29 Cb 0.03 0.02 -0.09 0.00 -0.73 0.00 0.00 40.66 39.89 1y1b h LEU 29 CO 0.00 0.21 0.67 -0.07 -0.62 0.00 0.00 178.44 178.63 1y1b h LEU 30 N -0.34 0.44 -1.49 2.25 3.38 -0.98 2.62 115.31 121.20 1y1b h LEU 30 Ca -0.01 0.08 -0.05 0.00 0.09 0.00 0.00 57.88 57.99 1y1b h LEU 30 Cb 0.30 0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 1y1b h LEU 30 CO 0.01 0.08 -0.26 1.23 0.09 0.00 0.00 178.44 179.60 1y1b h GLY 31 N 0.39 0.00 0.14 0.83 0.00 -1.26 0.85 103.07 104.02 1y1b h GLY 31 Ca 0.59 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.92 1y1b h GLY 31 CO -0.29 0.00 -0.07 0.00 0.00 0.00 0.00 176.54 176.18 1y1b h ALA 32 N 1.74 -0.31 -0.94 3.60 0.00 0.50 -2.89 119.26 120.96 1y1b h ALA 32 Ca -0.00 -0.04 0.27 0.00 0.00 0.00 0.00 54.91 55.14 1y1b h ALA 32 Cb 0.46 0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.28 1y1b h ALA 32 CO 0.03 -0.30 0.68 0.66 0.00 0.00 0.00 179.25 180.33 1y1b h SER 33 N -0.58 0.01 0.04 0.00 4.64 -0.68 0.21 113.55 117.18 1y1b h SER 33 Ca -0.02 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.30 1y1b h SER 33 Cb 0.14 -0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.23 1y1b h SER 33 CO 0.03 0.00 -0.02 0.00 -0.87 0.00 0.00 176.83 175.97 1y1b n ARG 35 N -5.03 4.53 0.00 0.00 5.12 -0.12 -4.86 116.66 116.29 1y1b n ARG 35 Ca -0.08 -3.09 0.00 0.00 -1.93 0.00 0.00 57.85 52.75 1y1b n ARG 35 Cb 0.12 -2.16 0.00 0.00 -1.16 0.00 0.00 32.46 29.27 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 0.67 0.00 0.00 0.55 2.88 0.54 -5.04 113.62 113.22 1y1b n SER 36 Ca 0.27 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.81 1y1b n SER 36 Cb 1.11 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.57 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 -3.63 -3.46 2.03 -1.26 -5.06 116.55 105.17 1y1b n ASP 37 Ca 0.00 0.00 -0.13 0.00 0.52 0.00 0.00 54.79 55.18 1y1b n ASP 37 Cb 0.00 0.00 -0.07 0.00 -0.72 0.00 0.00 41.12 40.33 1y1b n ASP 37 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 1y1b s THR 38 N 0.00 0.00 -1.07 5.18 2.01 -1.26 -5.08 115.64 115.42 1y1b s THR 38 Ca 0.00 0.00 -0.25 0.00 0.31 0.00 0.00 61.69 61.75 1y1b s THR 38 Cb 0.00 -1.00 -0.16 0.00 0.01 0.00 0.00 72.50 71.35 1y1b s THR 38 CO 0.00 0.00 2.09 -2.16 -0.69 0.00 0.00 174.62 173.86 1y1b s PRO 39 N 0.41 1.69 0.32 4.92 0.04 -1.26 -4.75 135.00 136.38 1y1b s PRO 39 Ca -0.00 -0.52 -0.29 0.00 0.04 0.00 0.00 61.00 60.23 1y1b s PRO 39 Cb -0.05 -5.04 -0.10 0.00 0.04 0.00 0.00 34.50 29.35 1y1b s PRO 39 CO -0.00 -4.81 1.30 0.42 0.04 0.00 0.00 177.00 173.95 1y1b s ILE 40 N 14.60 2.78 0.35 0.56 1.01 -1.26 -4.97 121.20 134.28 1y1b s ILE 40 Ca 0.78 0.78 0.02 0.00 0.00 0.00 0.00 60.65 62.23 1y1b s ILE 40 Cb -0.05 -3.49 -0.01 0.00 0.01 0.00 0.00 42.46 38.92 1y1b s ILE 40 CO 0.14 0.18 0.07 -0.62 0.00 0.00 0.00 174.94 174.71 1y1b n GLU 41 N 0.97 0.81 -4.14 2.79 1.02 -1.17 -4.86 120.64 116.06 1y1b n GLU 41 Ca 0.00 -2.81 -0.35 0.00 -0.02 0.00 0.00 57.16 53.99 1y1b n GLU 41 Cb 0.42 1.20 -0.10 0.00 -0.02 0.00 0.00 31.44 32.94 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 3.72 0.00 -4.62 1.98 -1.26 0.17 118.68 118.67 1y1b s LEU 42 Ca 0.10 0.09 0.00 0.00 -2.89 0.00 0.00 54.13 51.43 1y1b s LEU 42 Cb 0.00 -1.91 0.00 0.00 0.66 0.00 0.00 46.19 44.94 1y1b s LEU 42 CO 0.07 0.23 0.00 0.55 -1.89 0.00 0.00 176.35 175.31 1y1b n VAL 43 N 3.13 0.00 -3.83 1.68 3.14 -0.83 -4.75 118.33 116.87 1y1b n VAL 43 Ca -0.17 0.00 -0.14 0.00 -2.96 0.00 0.00 64.34 61.07 1y1b n VAL 43 Cb 0.53 -0.57 -0.15 0.00 -1.06 0.00 0.00 33.84 32.59 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 -1.64 0.04 -0.90 1.45 3.76 -1.08 -5.02 115.29 111.90 1y1b s HIS 44 Ca 0.00 0.07 -0.05 0.00 -0.15 0.00 0.00 55.06 54.93 1y1b s HIS 44 Cb 0.00 -0.15 0.07 0.00 1.11 0.00 0.00 32.58 33.60 1y1b s HIS 44 CO 0.00 -0.05 2.63 1.63 -0.85 0.00 0.00 174.74 178.10 1y1b n LYS 45 N 3.71 3.51 -1.68 1.40 4.76 -1.26 -0.78 118.16 127.82 1y1b n LYS 45 Ca -0.21 -2.82 0.00 0.00 -2.87 0.00 0.00 58.31 52.40 1y1b n LYS 45 Cb 0.54 -2.40 0.00 0.00 -1.84 0.00 0.00 35.03 31.33 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 1.47 -0.65 2.26 0.72 0.00 -0.82 -4.84 105.19 103.33 1y1b n GLY 46 Ca 0.56 -0.51 -0.34 0.00 0.00 0.00 0.00 46.02 45.73 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 3.42 -0.26 1.61 1.74 -1.18 -2.56 116.66 119.43 1y1b n ARG 47 Ca 0.00 -2.03 0.00 0.00 -0.77 0.00 0.00 57.85 55.05 1y1b n ARG 47 Cb 0.00 -2.64 0.00 0.00 -1.02 0.00 0.00 32.46 28.80 1y1b n ARG 47 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11