#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1y1b s PRO 2 N 0.00 1.80 0.00 1.64 0.04 -1.26 -5.03 135.00 132.19 1y1b s PRO 2 Ca 0.00 -0.27 0.00 0.00 0.04 0.00 0.00 61.00 60.77 1y1b s PRO 2 Cb 0.00 -2.07 0.00 0.00 0.04 0.00 0.00 34.50 32.47 1y1b s PRO 2 CO 0.00 -1.56 0.00 -0.40 0.04 0.00 0.00 177.00 175.08 1y1b n ASP 3 N -3.17 0.00 -3.62 6.66 5.68 -1.26 -4.98 116.55 115.86 1y1b n ASP 3 Ca 0.10 0.00 -0.15 0.00 -0.50 0.00 0.00 54.79 54.24 1y1b n ASP 3 Cb 0.60 0.00 -0.07 0.00 -1.14 0.00 0.00 41.12 40.51 1y1b n ASP 3 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1y1b n PRO 5 N 1.68 1.86 -2.71 0.00 -0.04 -1.26 -4.88 135.00 129.66 1y1b n PRO 5 Ca -0.17 0.00 -0.07 0.00 -0.04 0.00 0.00 63.50 63.21 1y1b n PRO 5 Cb 0.56 0.00 0.11 0.00 -0.04 0.00 0.00 33.50 34.14 1y1b n PRO 5 CO 0.00 0.00 0.00 1.47 -0.04 0.00 0.00 175.50 176.93 1y1b n LEU 6 N 0.00 -1.93 -2.70 1.53 -0.00 -1.26 -5.00 117.00 107.64 1y1b n LEU 6 Ca 0.00 -3.50 -0.02 0.00 -0.00 0.00 0.00 56.01 52.49 1y1b n LEU 6 Cb 0.00 0.16 0.00 0.00 -0.00 0.00 0.00 43.42 43.58 1y1b n LEU 6 CO 0.00 1.92 -0.36 -0.38 -0.00 0.00 0.00 177.39 178.57 1y1b n ILE 7 N -0.45-11.55 0.00 1.47 2.08 -1.26 -5.02 119.36 104.63 1y1b n ILE 7 Ca -0.01 1.59 0.00 0.00 0.56 0.00 0.00 62.75 64.89 1y1b n ILE 7 Cb 0.83 -6.93 0.00 0.00 -0.75 0.00 0.00 39.64 32.78 1y1b n ILE 7 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1y1b n THR 9 N -0.49 0.00 -1.06 0.00 5.66 -1.26 -5.02 114.28 112.11 1y1b n THR 9 Ca 0.00 -0.54 0.07 0.00 -3.05 0.00 0.00 64.05 60.53 1y1b n THR 9 Cb 0.00 0.74 0.25 0.00 -1.55 0.00 0.00 70.33 69.77 1y1b n THR 9 CO 0.00 0.00 0.00 1.15 -3.05 0.00 0.00 175.07 173.17 1y1b n MET 10 N -0.69 2.75 -1.19 1.09 0.00 -1.26 -4.80 117.12 113.02 1y1b n MET 10 Ca -0.02 -2.89 -0.35 0.00 0.00 0.00 0.00 57.70 54.44 1y1b n MET 10 Cb 0.56 -1.84 -0.03 0.00 0.00 0.00 0.00 33.22 31.90 1y1b n MET 10 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 175.97 177.01 1y1b n GLN 11 N -0.61 3.33 -0.11 3.17 1.13 -1.26 -4.88 117.38 118.15 1y1b n GLN 11 Ca 0.23 -2.02 -0.02 0.00 -1.94 0.00 0.00 57.00 53.26 1y1b n GLN 11 Cb 0.92 -2.71 -0.01 0.00 0.11 0.00 0.00 30.24 28.55 1y1b n GLN 11 CO 0.00 0.00 0.00 0.66 -1.44 0.00 0.00 177.06 176.28 1y1b n TYR 12 N 3.67 0.02 -3.22 1.08 4.02 -1.26 -4.79 117.16 116.68 1y1b n TYR 12 Ca 0.71 0.01 -0.26 0.00 -0.01 0.00 0.00 57.90 58.35 1y1b n TYR 12 Cb 0.23 -0.10 -0.06 0.00 -0.02 0.00 0.00 39.34 39.39 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 0.56 3.46 -4.47 7.72 2.03 0.13 -5.03 116.55 120.95 1y1b n ASP 13 Ca 0.05 -3.42 -0.45 0.00 0.52 0.00 0.00 54.79 51.48 1y1b n ASP 13 Cb 0.01 -0.63 -0.08 0.00 -0.72 0.00 0.00 41.12 39.70 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 0.49 0.72 -4.40 -0.67 -0.04 -0.68 -3.71 135.00 126.71 1y1b n PRO 14 Ca 0.29 0.12 -0.34 0.00 -0.04 0.00 0.00 63.50 63.54 1y1b n PRO 14 Cb 0.43 -2.39 -0.12 0.00 -0.04 0.00 0.00 33.50 31.39 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 8.86 3.93 -0.34 0.52 -7.23 0.20 -1.44 120.40 124.89 1y1b s VAL 15 Ca 1.14 -0.35 -0.29 0.00 -1.81 0.00 0.00 61.98 60.68 1y1b s VAL 15 Cb -0.84 -2.71 0.01 0.00 0.56 0.00 0.00 36.38 33.40 1y1b s VAL 15 CO 0.45 0.51 1.19 0.00 -0.31 0.00 0.00 175.10 176.93 1y1b s GLY 17 N 2.34 2.23 -0.80 0.00 0.00 0.11 -1.57 107.32 109.63 1y1b s GLY 17 Ca 0.51 -0.48 -0.24 0.00 0.00 0.00 0.00 44.72 44.51 1y1b s GLY 17 CO 0.22 0.15 2.39 -1.26 0.00 0.00 0.00 173.10 174.60 1y1b n SER 18 N 2.85 1.36 0.00 1.64 2.88 0.20 -2.19 113.62 120.37 1y1b n SER 18 Ca -0.15 -1.26 0.00 0.00 -1.33 0.00 0.00 58.87 56.14 1y1b n SER 18 Cb 0.53 -1.49 0.00 0.00 -0.75 0.00 0.00 64.21 62.50 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 16.54 0.00 0.00 -3.46 2.03 -1.26 -3.00 116.55 127.40 1y1b n ASP 19 Ca 0.50 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.81 1y1b n ASP 19 Cb 0.39 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.79 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 -0.47 1.09 3.44 0.27 0.00 -0.93 -5.16 105.19 103.43 1y1b n GLY 20 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 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 -1.09 0.02 -0.35 -0.61 1.09 -1.21 -5.04 121.20 114.01 1y1b s ILE 21 Ca 0.00 -1.53 0.04 0.00 -1.10 0.00 0.00 60.65 58.05 1y1b s ILE 21 Cb 0.00 -2.18 0.10 0.00 -1.06 0.00 0.00 42.46 39.32 1y1b s ILE 21 CO 0.00 -0.07 0.07 -0.89 -0.10 0.00 0.00 174.94 173.95 1y1b s THR 22 N -4.04 2.33 0.11 2.92 2.01 -1.26 0.10 115.64 117.81 1y1b s THR 22 Ca 0.25 -2.41 -0.27 0.00 0.31 0.00 0.00 61.69 59.57 1y1b s THR 22 Cb 0.02 -2.72 -0.06 0.00 0.01 0.00 0.00 72.50 69.75 1y1b s THR 22 CO 0.07 -0.62 0.84 -0.31 -0.69 0.00 0.00 174.62 173.92 1y1b s TYR 23 N 0.82 3.82 0.59 4.92 1.51 0.56 -4.74 117.35 124.83 1y1b s TYR 23 Ca 0.11 1.64 0.34 0.00 -1.01 0.00 0.00 57.07 58.15 1y1b s TYR 23 Cb -0.20 -2.89 1.30 0.00 -0.11 0.00 0.00 41.96 40.06 1y1b s TYR 23 CO -0.07 0.32 1.55 0.78 -1.11 0.00 0.00 175.55 177.02 1y1b h GLY 24 N 5.23 0.00 -4.81 0.71 0.00 -1.85 0.56 103.07 102.91 1y1b h GLY 24 Ca -0.44 0.00 0.09 0.00 0.00 0.00 0.00 47.33 46.98 1y1b h GLY 24 CO 0.70 0.00 0.57 -1.31 0.00 0.00 0.00 176.54 176.50 1y1b s ASN 25 N -4.15 -0.35 0.56 0.19 0.01 -1.24 0.23 114.94 110.18 1y1b s ASN 25 Ca -0.04 0.49 0.30 0.00 -0.71 0.00 0.00 52.86 52.90 1y1b s ASN 25 Cb 0.18 0.43 1.46 0.00 0.41 0.00 0.00 41.25 43.73 1y1b s ASN 25 CO 0.62 -0.25 1.88 0.00 -1.51 0.00 0.00 177.10 177.83 1y1b h ALA 26 N 2.99 2.60 -0.09 0.60 0.00 -1.79 0.57 119.26 124.14 1y1b h ALA 26 Ca -0.21 -0.03 -0.13 0.00 0.00 0.00 0.00 54.91 54.55 1y1b h ALA 26 Cb 1.17 0.05 0.01 0.00 0.00 0.00 0.00 17.79 19.02 1y1b h ALA 26 CO 0.24 -0.98 -0.45 0.00 0.00 0.00 0.00 179.25 178.07 1y1b h MET 28 N 0.04 0.00 -0.10 0.00 2.86 -0.35 0.28 114.93 117.66 1y1b h MET 28 Ca -0.03 0.00 -0.05 0.00 -2.06 0.00 0.00 59.70 57.56 1y1b h MET 28 Cb 1.09 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.75 1y1b h MET 28 CO 0.09 0.00 -0.12 -0.07 1.06 0.00 0.00 176.91 177.87 1y1b h LEU 29 N 0.00 0.29 -1.34 1.22 3.38 -0.47 -2.27 115.31 116.13 1y1b h LEU 29 Ca 0.00 -0.50 0.29 0.00 0.09 0.00 0.00 57.88 57.76 1y1b h LEU 29 Cb 0.06 -0.08 -0.10 0.00 0.09 0.00 0.00 40.66 40.63 1y1b h LEU 29 CO 0.00 0.73 0.68 -0.07 0.09 0.00 0.00 178.44 179.88 1y1b h LEU 30 N -0.15 0.43 -0.78 1.67 3.38 -0.65 2.54 115.31 121.75 1y1b h LEU 30 Ca 0.01 0.10 -0.13 0.00 0.09 0.00 0.00 57.88 57.95 1y1b h LEU 30 Cb 0.66 0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.43 1y1b h LEU 30 CO 0.03 0.05 -0.56 1.23 0.09 0.00 0.00 178.44 179.28 1y1b h GLY 31 N 0.36 0.15 0.39 0.83 0.00 -1.37 -2.10 103.07 101.34 1y1b h GLY 31 Ca 0.63 -0.18 -0.01 0.00 0.00 0.00 0.00 47.33 47.77 1y1b h GLY 31 CO -0.33 0.16 -0.12 0.00 0.00 0.00 0.00 176.54 176.24 1y1b h ALA 32 N 1.32 -0.35 -0.94 3.60 0.00 0.46 -2.70 119.26 120.66 1y1b h ALA 32 Ca -0.00 -0.18 0.16 0.00 0.00 0.00 0.00 54.91 54.88 1y1b h ALA 32 Cb 1.02 0.13 -0.10 0.00 0.00 0.00 0.00 17.79 18.85 1y1b h ALA 32 CO 0.08 -0.39 0.55 1.03 0.00 0.00 0.00 179.25 180.52 1y1b h SER 33 N -0.96 0.72 -0.99 0.00 0.87 0.14 0.22 113.55 113.56 1y1b h SER 33 Ca -0.04 0.08 0.05 0.00 -1.23 0.00 0.00 61.79 60.66 1y1b h SER 33 Cb 0.48 -0.04 -0.06 0.00 -0.44 0.00 0.00 62.40 62.34 1y1b h SER 33 CO 0.06 0.30 0.64 0.00 -0.53 0.00 0.00 176.83 177.30 1y1b h ARG 35 N 1.20 0.00 0.00 0.00 3.08 -0.26 -3.41 114.38 114.99 1y1b h ARG 35 Ca 0.41 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.46 1y1b h ARG 35 Cb 0.09 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.14 1y1b h ARG 35 CO -0.14 0.17 0.00 0.45 -1.07 0.00 0.00 179.97 179.37 1y1b n SER 36 N -3.23 0.00 0.00 7.04 2.88 -0.53 -5.07 113.62 114.71 1y1b n SER 36 Ca 0.01 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.55 1y1b n SER 36 Cb 0.48 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.94 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 -4.95 -3.46 5.68 -1.11 -5.09 116.55 107.62 1y1b n ASP 37 Ca 0.00 0.00 -0.22 0.00 -0.50 0.00 0.00 54.79 54.07 1y1b n ASP 37 Cb 0.00 0.00 -0.02 0.00 -1.14 0.00 0.00 41.12 39.96 1y1b n ASP 37 CO 0.00 0.00 0.00 0.42 -1.33 0.00 0.00 177.20 176.29 1y1b s THR 38 N 0.00 5.16 -1.18 2.12 -4.23 -1.26 -5.03 115.64 111.22 1y1b s THR 38 Ca 0.00 -1.02 -0.20 0.00 -1.18 0.00 0.00 61.69 59.29 1y1b s THR 38 Cb 0.00 -3.79 0.05 0.00 1.34 0.00 0.00 72.50 70.10 1y1b s THR 38 CO 0.00 -0.31 1.65 -2.16 -0.54 0.00 0.00 174.62 173.26 1y1b s PRO 39 N -3.89 3.74 0.58 3.99 0.04 -1.26 -4.75 135.00 133.44 1y1b s PRO 39 Ca 0.34 -1.60 -0.16 0.00 0.04 0.00 0.00 61.00 59.62 1y1b s PRO 39 Cb -0.09 -5.45 -0.14 0.00 0.04 0.00 0.00 34.50 28.86 1y1b s PRO 39 CO 0.28 -2.35 -0.27 1.51 0.04 0.00 0.00 177.00 176.22 1y1b n ILE 40 N 6.68 0.00 -4.70 0.56 3.06 -1.26 -4.99 119.36 118.71 1y1b n ILE 40 Ca 0.43 -0.46 -0.33 0.00 -2.50 0.00 0.00 62.75 59.89 1y1b n ILE 40 Cb 0.48 0.00 -0.06 0.00 0.54 0.00 0.00 39.64 40.60 1y1b n ILE 40 CO 0.00 0.00 0.00 -0.62 -2.50 0.00 0.00 176.55 173.43 1y1b n GLU 41 N 1.61 0.75 -4.83 9.51 -0.58 -1.16 -4.95 120.64 120.99 1y1b n GLU 41 Ca 0.05 -3.73 -0.25 0.00 -0.42 0.00 0.00 57.16 52.80 1y1b n GLU 41 Cb 0.45 0.95 -0.16 0.00 -0.57 0.00 0.00 31.44 32.12 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 1.96 -0.06 -4.62 1.98 -1.26 0.63 118.68 117.31 1y1b s LEU 42 Ca 0.02 -0.33 -0.01 0.00 -2.89 0.00 0.00 54.13 50.92 1y1b s LEU 42 Cb -0.00 -0.94 -0.03 0.00 0.66 0.00 0.00 46.19 45.88 1y1b s LEU 42 CO 0.02 0.18 -0.07 0.52 -1.89 0.00 0.00 176.35 175.11 1y1b n VAL 43 N 2.93 0.33 -3.70 1.68 0.31 -0.61 -4.65 118.33 114.61 1y1b n VAL 43 Ca -0.17 -0.10 -0.14 0.00 -0.01 0.00 0.00 64.34 63.92 1y1b n VAL 43 Cb 0.53 -1.18 -0.14 0.00 -0.91 0.00 0.00 33.84 32.14 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 -2.11 -0.24 -1.10 3.52 3.76 -1.11 -5.03 115.29 112.98 1y1b s HIS 44 Ca -0.08 0.65 -0.07 0.00 -0.15 0.00 0.00 55.06 55.41 1y1b s HIS 44 Cb 0.03 -0.11 -0.08 0.00 1.11 0.00 0.00 32.58 33.52 1y1b s HIS 44 CO 0.12 -0.24 2.52 1.63 -0.85 0.00 0.00 174.74 177.91 1y1b n LYS 45 N 4.76 2.66 0.00 1.40 4.01 -1.26 0.33 118.16 130.06 1y1b n LYS 45 Ca -0.16 -1.68 0.00 0.00 -0.51 0.00 0.00 58.31 55.97 1y1b n LYS 45 Cb 0.51 -2.53 0.00 0.00 -0.51 0.00 0.00 35.03 32.50 1y1b n LYS 45 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1y1b n GLY 46 N 3.58 1.28 2.40 0.72 0.00 -0.52 -4.74 105.19 107.90 1y1b n GLY 46 Ca 0.57 -0.40 -0.34 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 3.62 -0.15 1.61 1.74 -1.19 -1.78 116.66 120.51 1y1b n ARG 47 Ca 0.00 -2.70 0.00 0.00 -0.77 0.00 0.00 57.85 54.38 1y1b n ARG 47 Cb 0.00 -2.47 0.00 0.00 -1.02 0.00 0.00 32.46 28.97 1y1b n ARG 47 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11