#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 -0.43 -2.35 1.64 -0.04 -1.26 -5.06 135.00 127.50 1y1b n PRO 2 Ca 0.00 0.00 -0.26 0.00 -0.04 0.00 0.00 63.50 63.20 1y1b n PRO 2 Cb 0.00 0.00 0.13 0.00 -0.04 0.00 0.00 33.50 33.59 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 -1.42 3.99 -0.11 3.54 1.47 -1.26 -4.86 116.67 118.03 1y1b s ASP 3 Ca 0.00 -0.10 -0.16 0.00 1.18 0.00 0.00 52.55 53.47 1y1b s ASP 3 Cb 0.00 -0.20 -0.27 0.00 -0.34 0.00 0.00 42.92 42.12 1y1b s ASP 3 CO 0.00 -2.12 0.55 0.00 0.68 0.00 0.00 175.17 174.28 1y1b n PRO 5 N -3.94 2.92 -2.71 0.00 -0.04 -1.26 -4.97 135.00 125.00 1y1b n PRO 5 Ca -0.25 0.00 -0.07 0.00 -0.04 0.00 0.00 63.50 63.14 1y1b n PRO 5 Cb 0.89 0.00 0.10 0.00 -0.04 0.00 0.00 33.50 34.45 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 -2.00 -1.38 1.53 -0.00 -1.26 -4.98 117.00 108.90 1y1b n LEU 6 Ca 0.00 -3.33 0.00 0.00 -0.00 0.00 0.00 56.01 52.68 1y1b n LEU 6 Cb 0.00 0.56 0.00 0.00 -0.00 0.00 0.00 43.42 43.98 1y1b n LEU 6 CO 0.00 1.90 -0.26 -0.38 -0.00 0.00 0.00 177.39 178.66 1y1b n ILE 7 N -0.08 -8.24 0.00 1.47 5.41 -1.26 -5.08 119.36 111.58 1y1b n ILE 7 Ca -0.01 1.83 0.00 0.00 1.00 0.00 0.00 62.75 65.57 1y1b n ILE 7 Cb 0.76 -4.00 0.00 0.00 -0.71 0.00 0.00 39.64 35.69 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 -0.69 0.00 -0.78 0.00 5.66 -1.26 -5.02 114.28 112.19 1y1b n THR 9 Ca 0.00 -0.38 0.08 0.00 -3.05 0.00 0.00 64.05 60.70 1y1b n THR 9 Cb 0.00 0.47 0.25 0.00 -1.55 0.00 0.00 70.33 69.51 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 -0.40 3.13 -0.68 1.09 2.81 -1.26 -4.82 117.12 116.99 1y1b n MET 10 Ca -0.02 -2.70 -0.21 0.00 -1.81 0.00 0.00 57.70 52.96 1y1b n MET 10 Cb 0.34 -1.75 -0.02 0.00 -0.71 0.00 0.00 33.22 31.08 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 -0.08 1.80 -0.33 0.03 6.02 -1.26 -4.84 117.38 118.72 1y1b n GLN 11 Ca 0.20 -1.37 -0.08 0.00 -0.01 0.00 0.00 57.00 55.74 1y1b n GLN 11 Cb 0.81 -2.43 -0.04 0.00 1.02 0.00 0.00 30.24 29.60 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 4.53 0.09 -3.21 1.08 4.19 -1.26 -4.80 117.16 117.78 1y1b n TYR 12 Ca 0.40 0.06 -0.24 0.00 3.31 0.00 0.00 57.90 61.43 1y1b n TYR 12 Cb 0.13 -0.40 -0.06 0.00 0.49 0.00 0.00 39.34 39.51 1y1b n TYR 12 CO 0.00 0.00 0.00 -3.47 0.91 0.00 0.00 176.86 174.30 1y1b n ASP 13 N 1.98 2.07 -4.46 2.98 2.03 -0.16 -5.05 116.55 115.94 1y1b n ASP 13 Ca 0.15 -3.14 -0.47 0.00 0.52 0.00 0.00 54.79 51.84 1y1b n ASP 13 Cb 0.01 -0.63 -0.08 0.00 -0.72 0.00 0.00 41.12 39.71 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 0.73 0.90 -4.26 -0.67 -0.04 -1.09 -3.72 135.00 126.84 1y1b n PRO 14 Ca 0.26 0.20 -0.34 0.00 -0.04 0.00 0.00 63.50 63.58 1y1b n PRO 14 Cb 0.50 -2.46 -0.12 0.00 -0.04 0.00 0.00 33.50 31.37 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 8.29 3.87 -0.26 0.52 -7.23 0.19 -0.02 120.40 125.75 1y1b s VAL 15 Ca 1.12 -0.36 -0.29 0.00 -1.81 0.00 0.00 61.98 60.64 1y1b s VAL 15 Cb -0.82 -2.72 0.01 0.00 0.56 0.00 0.00 36.38 33.41 1y1b s VAL 15 CO 0.46 0.47 1.12 0.00 -0.31 0.00 0.00 175.10 176.84 1y1b s GLY 17 N 1.71 2.06 -0.83 0.00 0.00 0.15 -1.34 107.32 109.07 1y1b s GLY 17 Ca 0.48 -0.71 -0.22 0.00 0.00 0.00 0.00 44.72 44.27 1y1b s GLY 17 CO 0.13 -0.47 2.40 -1.26 0.00 0.00 0.00 173.10 173.90 1y1b n SER 18 N 1.93 0.67 0.00 1.64 2.88 0.32 -2.04 113.62 119.03 1y1b n SER 18 Ca -0.19 -0.68 0.00 0.00 -1.33 0.00 0.00 58.87 56.67 1y1b n SER 18 Cb 0.54 -1.17 0.00 0.00 -0.75 0.00 0.00 64.21 62.83 1y1b n SER 18 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 1y1b n ASP 19 N 12.71 0.00 0.00 -3.46 9.92 -1.26 -2.99 116.55 131.46 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 1.88 3.17 0.44 0.00 -0.86 -5.14 105.19 104.68 1y1b n GLY 20 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.87 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 0.95 -0.43 -0.61 1.09 -1.21 -5.01 121.20 113.97 1y1b s ILE 21 Ca 0.00 -1.57 -0.04 0.00 -1.10 0.00 0.00 60.65 57.94 1y1b s ILE 21 Cb 0.00 -1.29 0.12 0.00 -1.06 0.00 0.00 42.46 40.23 1y1b s ILE 21 CO 0.00 -0.51 0.24 -0.89 -0.10 0.00 0.00 174.94 173.68 1y1b s THR 22 N -2.24 3.44 0.15 2.92 2.01 -1.26 0.31 115.64 120.97 1y1b s THR 22 Ca 0.04 -2.09 -0.30 0.00 0.31 0.00 0.00 61.69 59.65 1y1b s THR 22 Cb -0.04 -3.33 -0.07 0.00 0.01 0.00 0.00 72.50 69.07 1y1b s THR 22 CO 0.00 -0.72 0.99 -0.31 -0.69 0.00 0.00 174.62 173.89 1y1b s TYR 23 N 1.08 3.80 0.62 4.92 1.51 0.13 -4.72 117.35 124.69 1y1b s TYR 23 Ca 0.09 1.78 0.23 0.00 -1.01 0.00 0.00 57.07 58.16 1y1b s TYR 23 Cb -0.23 -3.09 1.04 0.00 -0.11 0.00 0.00 41.96 39.57 1y1b s TYR 23 CO -0.04 0.09 1.53 0.78 -1.11 0.00 0.00 175.55 176.80 1y1b h GLY 24 N 5.19 0.00 -4.55 0.71 0.00 -1.85 0.56 103.07 103.11 1y1b h GLY 24 Ca -0.44 0.00 0.20 0.00 0.00 0.00 0.00 47.33 47.10 1y1b h GLY 24 CO 0.71 0.00 0.82 -1.31 0.00 0.00 0.00 176.54 176.76 1y1b s ASN 25 N -4.05 -0.14 0.55 0.19 0.01 -1.24 -0.98 114.94 109.28 1y1b s ASN 25 Ca -0.03 0.12 0.30 0.00 -0.71 0.00 0.00 52.86 52.55 1y1b s ASN 25 Cb 0.11 0.12 1.46 0.00 0.41 0.00 0.00 41.25 43.36 1y1b s ASN 25 CO 0.37 -0.15 1.90 0.00 -1.51 0.00 0.00 177.10 177.71 1y1b h ALA 26 N 2.17 2.60 -0.07 0.60 0.00 -1.81 0.51 119.26 123.27 1y1b h ALA 26 Ca -0.11 -0.02 -0.18 0.00 0.00 0.00 0.00 54.91 54.60 1y1b h ALA 26 Cb 1.18 0.05 0.01 0.00 0.00 0.00 0.00 17.79 19.03 1y1b h ALA 26 CO 0.24 -0.93 -0.65 0.00 0.00 0.00 0.00 179.25 177.91 1y1b h MET 28 N 0.17 0.00 0.26 0.00 2.86 -0.47 -1.48 114.93 116.26 1y1b h MET 28 Ca -0.06 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.57 1y1b h MET 28 Cb 1.31 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.98 1y1b h MET 28 CO 0.13 0.03 -0.12 -0.07 1.06 0.00 0.00 176.91 177.94 1y1b h LEU 29 N 0.00 -0.29 -1.00 1.22 3.38 -0.64 -2.38 115.31 115.61 1y1b h LEU 29 Ca -0.00 -0.19 0.36 0.00 0.09 0.00 0.00 57.88 58.13 1y1b h LEU 29 Cb 0.11 0.08 -0.16 0.00 0.09 0.00 0.00 40.66 40.77 1y1b h LEU 29 CO 0.00 0.06 0.53 -0.07 0.09 0.00 0.00 178.44 179.05 1y1b h LEU 30 N -0.67 0.39 -1.19 1.67 4.07 -1.09 3.39 115.31 121.88 1y1b h LEU 30 Ca -0.04 0.22 -0.08 0.00 0.08 0.00 0.00 57.88 58.07 1y1b h LEU 30 Cb 0.47 0.21 -0.01 0.00 1.08 0.00 0.00 40.66 42.40 1y1b h LEU 30 CO 0.06 -0.27 -0.33 1.23 -1.08 0.00 0.00 178.44 178.05 1y1b h GLY 31 N 0.18 0.14 0.70 0.83 0.00 -1.35 -1.68 103.07 101.89 1y1b h GLY 31 Ca 0.77 -0.11 -0.21 0.00 0.00 0.00 0.00 47.33 47.78 1y1b h GLY 31 CO -0.68 0.10 -0.95 0.00 0.00 0.00 0.00 176.54 175.01 1y1b h ALA 32 N 1.55 -0.05 0.04 3.60 0.00 0.63 -2.44 119.26 122.60 1y1b h ALA 32 Ca 0.01 -0.77 -0.00 0.00 0.00 0.00 0.00 54.91 54.15 1y1b h ALA 32 Cb 0.65 0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.60 1y1b h ALA 32 CO 0.05 0.47 -0.02 1.03 0.00 0.00 0.00 179.25 180.77 1y1b h SER 33 N -0.33 -0.05 1.00 0.00 0.87 0.85 0.65 113.55 116.54 1y1b h SER 33 Ca -0.18 -0.05 -0.10 0.00 -1.23 0.00 0.00 61.79 60.23 1y1b h SER 33 Cb 1.69 0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 63.65 1y1b h SER 33 CO 0.14 0.02 -0.48 0.00 -0.53 0.00 0.00 176.83 175.98 1y1b n ARG 35 N -3.46 0.19 0.00 0.00 5.12 -0.92 -4.72 116.66 112.88 1y1b n ARG 35 Ca 0.00 -0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 1y1b n ARG 35 Cb 0.61 -1.56 0.00 0.00 -1.16 0.00 0.00 32.46 30.35 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 -1.81 0.00 0.00 0.55 2.88 0.23 -5.02 113.62 110.45 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 0.40 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.86 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 -4.16 -3.46 -0.08 -1.25 -5.09 116.55 102.51 1y1b n ASP 37 Ca 0.00 0.00 -0.31 0.00 -1.51 0.00 0.00 54.79 52.97 1y1b n ASP 37 Cb 0.00 0.00 -0.17 0.00 2.34 0.00 0.00 41.12 43.29 1y1b n ASP 37 CO 0.00 0.00 0.00 -0.89 0.12 0.00 0.00 177.20 176.43 1y1b s THR 38 N 0.00 1.92 -0.77 5.18 2.01 -1.26 -5.06 115.64 117.66 1y1b s THR 38 Ca 0.00 -0.91 -0.24 0.00 0.31 0.00 0.00 61.69 60.85 1y1b s THR 38 Cb 0.00 -1.69 -0.16 0.00 0.01 0.00 0.00 72.50 70.66 1y1b s THR 38 CO 0.00 0.53 2.39 -2.65 -0.69 0.00 0.00 174.62 174.20 1y1b n PRO 39 N 3.88 0.54 -0.93 4.92 -0.02 -1.26 -4.82 135.00 137.32 1y1b n PRO 39 Ca -0.20 -0.51 -0.29 0.00 -2.02 0.00 0.00 63.50 60.49 1y1b n PRO 39 Cb 0.52 -3.12 0.19 0.00 -0.02 0.00 0.00 33.50 31.08 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 11.74 2.21 0.37 4.25 -0.00 -1.26 -5.07 121.20 133.45 1y1b s ILE 40 Ca 1.02 0.07 0.01 0.00 -0.00 0.00 0.00 60.65 61.75 1y1b s ILE 40 Cb -0.31 -2.37 -0.00 0.00 -0.00 0.00 0.00 42.46 39.77 1y1b s ILE 40 CO 0.22 -0.09 0.04 -0.62 -0.00 0.00 0.00 174.94 174.49 1y1b n GLU 41 N -4.36 0.91 -5.21 0.37 1.02 -1.16 -4.91 120.64 107.30 1y1b n GLU 41 Ca 0.05 -2.82 -0.31 0.00 -0.02 0.00 0.00 57.16 54.07 1y1b n GLU 41 Cb 0.55 1.01 -0.16 0.00 -0.02 0.00 0.00 31.44 32.82 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 2.05 -0.00 -4.62 1.98 -1.26 0.12 118.68 116.95 1y1b s LEU 42 Ca 0.06 -0.50 -0.00 0.00 -2.89 0.00 0.00 54.13 50.80 1y1b s LEU 42 Cb 0.00 -1.33 -0.00 0.00 0.66 0.00 0.00 46.19 45.53 1y1b s LEU 42 CO 0.04 0.22 -0.00 0.52 -1.89 0.00 0.00 176.35 175.24 1y1b n VAL 43 N 3.05 0.01 -3.70 1.68 0.31 -0.45 -4.70 118.33 114.53 1y1b n VAL 43 Ca -0.18 -0.00 -0.12 0.00 -0.01 0.00 0.00 64.34 64.03 1y1b n VAL 43 Cb 0.52 -1.13 -0.13 0.00 -0.91 0.00 0.00 33.84 32.19 1y1b n VAL 43 CO 0.00 0.00 0.00 -1.38 -1.32 0.00 0.00 176.83 174.13 1y1b s HIS 44 N -2.00 -0.43 -1.09 3.52 0.00 -1.13 -5.03 115.29 109.13 1y1b s HIS 44 Ca -0.00 0.96 -0.16 0.00 -3.00 0.00 0.00 55.06 52.86 1y1b s HIS 44 Cb 0.00 0.08 -0.07 0.00 -4.00 0.00 0.00 32.58 28.58 1y1b s HIS 44 CO 0.00 -0.30 2.14 1.63 -1.00 0.00 0.00 174.74 177.21 1y1b n LYS 45 N 4.61 2.21 -0.84 -0.38 5.02 -1.26 0.38 118.16 127.90 1y1b n LYS 45 Ca -0.19 -2.07 0.00 0.00 -2.02 0.00 0.00 58.31 54.03 1y1b n LYS 45 Cb 0.52 -2.97 0.00 0.00 -0.02 0.00 0.00 35.03 32.57 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 4.20 1.00 2.20 0.72 0.00 0.97 -4.73 105.19 109.55 1y1b n GLY 46 Ca 0.52 -0.73 -0.23 0.00 0.00 0.00 0.00 46.02 45.58 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 2.67 -0.12 1.61 1.74 -1.26 -2.69 116.66 118.62 1y1b n ARG 47 Ca 0.00 -1.74 0.00 0.00 -0.77 0.00 0.00 57.85 55.34 1y1b n ARG 47 Cb 0.00 -2.25 0.00 0.00 -1.02 0.00 0.00 32.46 29.19 1y1b n ARG 47 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11