#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 1.50 -0.83 1.97 -0.02 -1.26 -4.72 135.00 131.64 1y1b n PRO 2 Ca 0.00 0.00 -0.10 0.00 -2.02 0.00 0.00 63.50 61.38 1y1b n PRO 2 Cb 0.00 0.00 -0.05 0.00 -0.02 0.00 0.00 33.50 33.43 1y1b n PRO 2 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1y1b n ASP 3 N 0.00 5.64 -3.74 2.55 9.92 -1.26 -4.79 116.55 124.86 1y1b n ASP 3 Ca 0.00 -2.63 -0.13 0.00 -0.53 0.00 0.00 54.79 51.49 1y1b n ASP 3 Cb 0.00 -1.22 -0.09 0.00 -0.64 0.00 0.00 41.12 39.17 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 2.10 0.75 -3.05 0.00 -0.04 -1.26 -4.88 135.00 128.62 1y1b n PRO 5 Ca -0.17 -1.20 -0.16 0.00 -0.04 0.00 0.00 63.50 61.93 1y1b n PRO 5 Cb 0.57 -0.13 -0.00 0.00 -0.04 0.00 0.00 33.50 33.90 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 -0.25 -2.56 1.53 7.94 -1.26 -4.93 117.00 117.47 1y1b n LEU 6 Ca 0.06 -4.55 -0.01 0.00 -1.11 0.00 0.00 56.01 50.40 1y1b n LEU 6 Cb 0.24 0.77 0.00 0.00 0.53 0.00 0.00 43.42 44.96 1y1b n LEU 6 CO 0.15 2.20 -0.33 -0.38 -1.11 0.00 0.00 177.39 177.92 1y1b n ILE 7 N 0.51-10.41 0.00 1.96 2.08 -1.26 -5.02 119.36 107.21 1y1b n ILE 7 Ca 0.19 1.41 0.00 0.00 0.56 0.00 0.00 62.75 64.91 1y1b n ILE 7 Cb 0.65 -6.57 0.00 0.00 -0.75 0.00 0.00 39.64 32.97 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 -0.54 0.00 -0.37 0.00 5.66 -1.26 -5.02 114.28 112.75 1y1b n THR 9 Ca 0.00 -0.44 0.08 0.00 -3.05 0.00 0.00 64.05 60.64 1y1b n THR 9 Cb 0.00 0.65 0.22 0.00 -1.55 0.00 0.00 70.33 69.65 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 -0.66 2.97 -0.56 1.09 0.00 -1.26 -4.80 117.12 113.90 1y1b n MET 10 Ca -0.01 -2.37 -0.21 0.00 0.00 0.00 0.00 57.70 55.11 1y1b n MET 10 Cb 0.51 -1.48 -0.03 0.00 0.00 0.00 0.00 33.22 32.22 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 0.68 1.21 -0.19 0.03 1.13 -1.26 -4.80 117.38 114.18 1y1b n GLN 11 Ca 0.17 -1.20 -0.04 0.00 -1.94 0.00 0.00 57.00 53.99 1y1b n GLN 11 Cb 0.58 -2.39 -0.02 0.00 0.11 0.00 0.00 30.24 28.51 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 5.34 0.03 -2.83 1.08 4.01 -1.26 -4.77 117.16 118.75 1y1b n TYR 12 Ca 0.32 0.02 -0.29 0.00 -0.16 0.00 0.00 57.90 57.80 1y1b n TYR 12 Cb 0.16 -0.16 -0.03 0.00 -0.31 0.00 0.00 39.34 39.00 1y1b n TYR 12 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 1y1b n ASP 13 N 0.97 4.91 -4.50 7.72 2.03 -0.69 -5.02 116.55 121.96 1y1b n ASP 13 Ca 0.09 -3.70 -0.42 0.00 0.52 0.00 0.00 54.79 51.28 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 -0.26 0.66 -4.20 -0.67 -0.04 -1.23 -3.42 135.00 125.83 1y1b n PRO 14 Ca 0.34 0.06 -0.34 0.00 -0.04 0.00 0.00 63.50 63.53 1y1b n PRO 14 Cb 0.40 -2.49 -0.14 0.00 -0.04 0.00 0.00 33.50 31.23 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 9.85 3.14 -0.29 0.52 -7.23 -0.56 0.12 120.40 125.94 1y1b s VAL 15 Ca 1.15 -0.59 -0.29 0.00 -1.81 0.00 0.00 61.98 60.44 1y1b s VAL 15 Cb -0.74 -2.39 0.01 0.00 0.56 0.00 0.00 36.38 33.82 1y1b s VAL 15 CO 0.40 0.47 1.15 0.00 -0.31 0.00 0.00 175.10 176.81 1y1b s GLY 17 N 1.96 2.31 -0.83 0.00 0.00 -0.14 -1.41 107.32 109.22 1y1b s GLY 17 Ca 0.49 -0.39 -0.23 0.00 0.00 0.00 0.00 44.72 44.60 1y1b s GLY 17 CO 0.17 0.19 2.41 -1.14 0.00 0.00 0.00 173.10 174.73 1y1b n SER 18 N 2.62 0.70 0.00 1.64 3.41 0.34 -1.76 113.62 120.57 1y1b n SER 18 Ca -0.14 -0.63 0.00 0.00 -0.26 0.00 0.00 58.87 57.84 1y1b n SER 18 Cb 0.53 -1.17 0.00 0.00 -0.26 0.00 0.00 64.21 63.30 1y1b n SER 18 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1y1b n ASP 19 N 12.67 0.00 0.00 4.04 9.92 -1.26 -3.04 116.55 138.87 1y1b n ASP 19 Ca 0.55 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.81 1y1b n ASP 19 Cb 0.29 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.77 1y1b n ASP 19 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1y1b n GLY 20 N 0.00 1.68 2.82 0.44 0.00 -0.72 -5.13 105.19 104.28 1y1b n GLY 20 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 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 0.42 -0.67 -0.61 -1.09 -1.20 -5.01 121.20 111.03 1y1b s ILE 21 Ca 0.00 0.03 -0.21 0.00 -2.23 0.00 0.00 60.65 58.24 1y1b s ILE 21 Cb 0.00 -0.52 0.09 0.00 -1.58 0.00 0.00 42.46 40.45 1y1b s ILE 21 CO 0.00 0.24 0.91 -0.89 -1.23 0.00 0.00 174.94 173.97 1y1b s THR 22 N 1.48 4.51 0.39 2.92 2.01 -1.26 -0.97 115.64 124.72 1y1b s THR 22 Ca -0.02 -0.69 -0.21 0.00 0.31 0.00 0.00 61.69 61.07 1y1b s THR 22 Cb -0.13 -4.64 -0.10 0.00 0.01 0.00 0.00 72.50 67.63 1y1b s THR 22 CO -0.03 -1.37 0.92 -0.31 -0.69 0.00 0.00 174.62 173.14 1y1b s TYR 23 N 3.51 3.41 -0.71 4.92 1.51 -0.67 -4.84 117.35 124.46 1y1b s TYR 23 Ca 0.20 1.60 0.06 0.00 -1.01 0.00 0.00 57.07 57.93 1y1b s TYR 23 Cb -0.17 -2.83 0.35 0.00 -0.11 0.00 0.00 41.96 39.20 1y1b s TYR 23 CO 0.07 -0.01 1.18 0.41 -1.11 0.00 0.00 175.55 176.09 1y1b n GLY 24 N -0.32 -0.59 0.00 0.71 0.00 -1.26 -1.49 105.19 102.23 1y1b n GLY 24 Ca 0.05 0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.13 1y1b n GLY 24 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1y1b n ASN 25 N -1.71 0.00 -0.03 1.61 0.23 -1.22 -1.71 115.26 112.43 1y1b n ASN 25 Ca -0.00 0.00 0.23 0.00 -0.53 0.00 0.00 54.58 54.28 1y1b n ASN 25 Cb 0.03 0.00 0.61 0.00 -2.08 0.00 0.00 39.78 38.34 1y1b n ASN 25 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1y1b h ALA 26 N 0.00 2.46 0.03 -2.53 0.00 -1.86 0.76 119.26 118.11 1y1b h ALA 26 Ca 0.00 -0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.78 1y1b h ALA 26 Cb 0.00 0.05 0.01 0.00 0.00 0.00 0.00 17.79 17.85 1y1b h ALA 26 CO 0.00 -1.13 -0.44 0.00 0.00 0.00 0.00 179.25 177.68 1y1b h MET 28 N -0.40 0.00 -0.05 0.00 2.86 0.06 -0.92 114.93 116.47 1y1b h MET 28 Ca -0.06 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.56 1y1b h MET 28 Cb 1.22 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.88 1y1b h MET 28 CO 0.09 0.02 -0.02 1.25 1.06 0.00 0.00 176.91 179.31 1y1b h LEU 29 N 0.00 0.10 -1.17 1.22 6.46 -0.67 -2.59 115.31 118.65 1y1b h LEU 29 Ca -0.00 -0.40 0.27 0.00 -0.12 0.00 0.00 57.88 57.63 1y1b h LEU 29 Cb 0.12 -0.03 -0.12 0.00 -0.73 0.00 0.00 40.66 39.90 1y1b h LEU 29 CO 0.00 0.48 0.64 -0.07 -0.62 0.00 0.00 178.44 178.87 1y1b h LEU 30 N -0.28 0.54 -1.10 2.25 3.38 -0.92 2.47 115.31 121.64 1y1b h LEU 30 Ca 0.01 0.12 -0.06 0.00 0.09 0.00 0.00 57.88 58.04 1y1b h LEU 30 Cb 0.44 0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.21 1y1b h LEU 30 CO 0.01 0.05 0.01 1.23 0.09 0.00 0.00 178.44 179.83 1y1b h GLY 31 N 0.45 0.69 0.25 0.83 0.00 -1.36 0.14 103.07 104.08 1y1b h GLY 31 Ca 0.65 -0.43 -0.01 0.00 0.00 0.00 0.00 47.33 47.54 1y1b h GLY 31 CO -0.42 0.40 -0.12 0.00 0.00 0.00 0.00 176.54 176.40 1y1b h ALA 32 N 1.40 -0.57 -1.10 3.60 0.00 0.43 -2.97 119.26 120.04 1y1b h ALA 32 Ca 0.13 -0.07 0.31 0.00 0.00 0.00 0.00 54.91 55.27 1y1b h ALA 32 Cb 0.37 0.13 -0.11 0.00 0.00 0.00 0.00 17.79 18.18 1y1b h ALA 32 CO 0.01 -0.55 0.70 1.03 0.00 0.00 0.00 179.25 180.44 1y1b h SER 33 N -0.61 0.42 -0.42 0.00 0.87 0.16 1.05 113.55 115.02 1y1b h SER 33 Ca -0.03 0.11 0.06 0.00 -1.23 0.00 0.00 61.79 60.70 1y1b h SER 33 Cb 0.26 0.05 -0.06 0.00 -0.44 0.00 0.00 62.40 62.22 1y1b h SER 33 CO 0.06 -0.00 0.09 0.00 -0.53 0.00 0.00 176.83 176.45 1y1b n ARG 35 N -5.09 1.13 0.00 0.00 1.74 0.77 -4.97 116.66 110.24 1y1b n ARG 35 Ca 0.03 -3.01 0.00 0.00 -0.77 0.00 0.00 57.85 54.10 1y1b n ARG 35 Cb 0.19 -1.09 0.00 0.00 -1.02 0.00 0.00 32.46 30.54 1y1b n ARG 35 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1y1b n SER 36 N -0.10 0.00 0.00 0.55 2.88 0.33 -4.94 113.62 112.34 1y1b n SER 36 Ca 0.09 0.05 0.00 0.00 -1.33 0.00 0.00 58.87 57.68 1y1b n SER 36 Cb 0.81 -0.33 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 -0.67 -1.23 0.00 0.00 175.04 173.14 1y1b n ASP 37 N -2.06 0.00 -3.68 -3.46 -0.08 -1.26 -5.08 116.55 100.92 1y1b n ASP 37 Ca 0.00 0.00 -0.10 0.00 -1.51 0.00 0.00 54.79 53.18 1y1b n ASP 37 Cb 0.00 0.00 -0.05 0.00 2.34 0.00 0.00 41.12 43.41 1y1b n ASP 37 CO 0.00 0.00 0.00 0.28 0.12 0.00 0.00 177.20 177.60 1y1b s THR 38 N 0.00 0.08 -0.85 5.18 -1.32 -1.26 -5.08 115.64 112.39 1y1b s THR 38 Ca 0.00 -0.70 -0.26 0.00 -1.21 0.00 0.00 61.69 59.53 1y1b s THR 38 Cb 0.00 -1.19 -0.16 0.00 -1.51 0.00 0.00 72.50 69.64 1y1b s THR 38 CO 0.00 -0.38 2.35 -0.81 -2.21 0.00 0.00 174.62 173.56 1y1b n PRO 39 N -0.14 0.45 -2.00 7.08 -0.04 -1.26 -4.80 135.00 134.30 1y1b n PRO 39 Ca -0.16 -1.02 -0.38 0.00 -0.04 0.00 0.00 63.50 61.90 1y1b n PRO 39 Cb 0.63 -3.70 0.02 0.00 -0.04 0.00 0.00 33.50 30.41 1y1b n PRO 39 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 1y1b s ILE 40 N 15.14 2.53 0.40 0.52 -4.36 -1.26 -5.04 121.20 129.14 1y1b s ILE 40 Ca 0.91 0.41 0.02 0.00 -0.26 0.00 0.00 60.65 61.73 1y1b s ILE 40 Cb -0.13 -3.21 0.02 0.00 1.25 0.00 0.00 42.46 40.40 1y1b s ILE 40 CO 0.11 0.00 0.20 -0.62 0.24 0.00 0.00 174.94 174.88 1y1b n GLU 41 N -0.67 0.94 -4.92 0.37 -0.58 -1.17 -4.89 120.64 109.72 1y1b n GLU 41 Ca 0.08 -2.67 -0.33 0.00 -0.42 0.00 0.00 57.16 53.83 1y1b n GLU 41 Cb 0.46 0.44 -0.14 0.00 -0.57 0.00 0.00 31.44 31.63 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 2.62 0.00 -4.62 1.98 -1.26 0.13 118.68 117.52 1y1b s LEU 42 Ca 0.15 -0.29 0.00 0.00 -2.89 0.00 0.00 54.13 51.11 1y1b s LEU 42 Cb -0.01 -1.54 0.00 0.00 0.66 0.00 0.00 46.19 45.30 1y1b s LEU 42 CO 0.10 0.28 0.00 0.52 -1.89 0.00 0.00 176.35 175.35 1y1b n VAL 43 N 2.77 0.00 -4.25 1.68 0.31 -0.50 -4.65 118.33 113.69 1y1b n VAL 43 Ca -0.17 0.00 -0.17 0.00 -0.01 0.00 0.00 64.34 63.98 1y1b n VAL 43 Cb 0.52 -1.35 -0.14 0.00 -0.91 0.00 0.00 33.84 31.97 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 -2.00 0.80 -1.04 3.52 3.76 -1.12 -5.02 115.29 114.20 1y1b s HIS 44 Ca 0.00 -0.26 -0.03 0.00 -0.15 0.00 0.00 55.06 54.62 1y1b s HIS 44 Cb 0.00 -0.49 0.19 0.00 1.11 0.00 0.00 32.58 33.39 1y1b s HIS 44 CO 0.00 -0.02 2.25 0.36 -0.85 0.00 0.00 174.74 176.49 1y1b n LYS 45 N 2.36 4.28 0.00 1.40 2.85 -1.26 -0.13 118.16 127.65 1y1b n LYS 45 Ca -0.16 -3.63 0.00 0.00 -1.05 0.00 0.00 58.31 53.47 1y1b n LYS 45 Cb 0.56 -2.46 0.00 0.00 -0.65 0.00 0.00 35.03 32.48 1y1b n LYS 45 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1y1b n GLY 46 N 0.81 1.75 2.46 2.58 0.00 0.32 -4.76 105.19 108.36 1y1b n GLY 46 Ca 0.55 -0.34 -0.36 0.00 0.00 0.00 0.00 46.02 45.86 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 3.97 -0.10 1.61 1.74 -1.25 -3.08 116.66 119.55 1y1b n ARG 47 Ca 0.00 -3.06 0.00 0.00 -0.77 0.00 0.00 57.85 54.02 1y1b n ARG 47 Cb 0.00 -2.51 0.00 0.00 -1.02 0.00 0.00 32.46 28.93 1y1b n ARG 47 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11