#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 -0.30 -2.77 1.64 -0.04 -1.26 -5.07 135.00 127.20 1y1b n PRO 2 Ca 0.00 -0.36 -0.10 0.00 -0.04 0.00 0.00 63.50 63.00 1y1b n PRO 2 Cb 0.00 -0.24 0.08 0.00 -0.04 0.00 0.00 33.50 33.29 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 -3.16 -1.51 -3.46 3.54 8.00 -1.26 -4.99 116.55 113.71 1y1b n ASP 3 Ca 0.03 -3.16 -0.11 0.00 0.71 0.00 0.00 54.79 52.26 1y1b n ASP 3 Cb 0.10 1.14 -0.02 0.00 -0.02 0.00 0.00 41.12 42.32 1y1b n ASP 3 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1y1b n PRO 5 N -0.35 1.17 -2.66 0.00 -0.04 -1.26 -4.00 135.00 127.86 1y1b n PRO 5 Ca -0.15 0.41 -0.04 0.00 -0.04 0.00 0.00 63.50 63.69 1y1b n PRO 5 Cb 0.64 -1.81 0.12 0.00 -0.04 0.00 0.00 33.50 32.41 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 1.63 -1.62 -0.99 1.53 7.94 -1.26 -4.96 117.00 119.28 1y1b n LEU 6 Ca 0.13 -3.25 0.00 0.00 -1.11 0.00 0.00 56.01 51.78 1y1b n LEU 6 Cb 0.28 0.09 0.00 0.00 0.53 0.00 0.00 43.42 44.33 1y1b n LEU 6 CO 0.60 1.77 0.00 -0.38 -1.11 0.00 0.00 177.39 178.27 1y1b n ILE 7 N -1.10 -0.18 0.00 1.96 -0.00 -1.26 -4.98 119.36 113.80 1y1b n ILE 7 Ca -0.11 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.64 1y1b n ILE 7 Cb 0.85 -0.78 0.00 0.00 -0.00 0.00 0.00 39.64 39.72 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 -1.43 0.00 -0.11 0.00 5.66 -1.26 -5.04 114.28 112.10 1y1b n THR 9 Ca 0.00 -0.71 0.03 0.00 -3.05 0.00 0.00 64.05 60.32 1y1b n THR 9 Cb 0.00 0.78 0.09 0.00 -1.55 0.00 0.00 70.33 69.64 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 -0.52 2.92 -0.56 1.09 0.00 -1.26 -4.84 117.12 113.95 1y1b n MET 10 Ca -0.05 -1.82 -0.20 0.00 0.00 0.00 0.00 57.70 55.63 1y1b n MET 10 Cb 0.50 -1.16 -0.03 0.00 0.00 0.00 0.00 33.22 32.54 1y1b n MET 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1y1b n GLN 11 N 0.05 1.24 0.00 0.03 10.64 -1.26 -4.80 117.38 123.29 1y1b n GLN 11 Ca 0.07 -1.20 0.00 0.00 -1.83 0.00 0.00 57.00 54.04 1y1b n GLN 11 Cb 0.35 -2.39 0.00 0.00 -0.86 0.00 0.00 30.24 27.34 1y1b n GLN 11 CO 0.00 0.00 0.00 0.66 -1.83 0.00 0.00 177.06 175.89 1y1b n TYR 12 N 5.25 0.00 -3.20 2.61 4.02 -1.26 -4.79 117.16 119.79 1y1b n TYR 12 Ca 0.32 0.00 -0.27 0.00 -0.01 0.00 0.00 57.90 57.94 1y1b n TYR 12 Cb 0.15 0.00 -0.06 0.00 -0.02 0.00 0.00 39.34 39.41 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 0.00 4.13 -4.45 7.72 2.03 -0.27 -5.02 116.55 120.69 1y1b n ASP 13 Ca 0.00 -3.56 -0.49 0.00 0.52 0.00 0.00 54.79 51.26 1y1b n ASP 13 Cb 0.00 -0.62 -0.07 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 0.34 1.00 -4.80 -0.67 -0.04 -1.23 -3.21 135.00 126.39 1y1b n PRO 14 Ca 0.30 0.25 -0.32 0.00 -0.04 0.00 0.00 63.50 63.69 1y1b n PRO 14 Cb 0.40 -2.47 -0.17 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 7.76 2.06 -0.27 0.52 -7.23 -0.25 0.30 120.40 123.30 1y1b s VAL 15 Ca 1.10 -0.99 -0.29 0.00 -1.81 0.00 0.00 61.98 59.99 1y1b s VAL 15 Cb -0.84 -1.81 0.01 0.00 0.56 0.00 0.00 36.38 34.30 1y1b s VAL 15 CO 0.47 0.55 1.13 0.00 -0.31 0.00 0.00 175.10 176.95 1y1b s GLY 17 N 1.75 2.09 -0.85 0.00 0.00 0.06 -1.08 107.32 109.29 1y1b s GLY 17 Ca 0.48 -0.68 -0.21 0.00 0.00 0.00 0.00 44.72 44.31 1y1b s GLY 17 CO 0.14 -0.40 2.37 -1.26 0.00 0.00 0.00 173.10 173.95 1y1b n SER 18 N 2.07 0.55 0.00 1.64 2.88 0.41 -1.71 113.62 119.45 1y1b n SER 18 Ca -0.20 -0.75 0.00 0.00 -1.33 0.00 0.00 58.87 56.60 1y1b n SER 18 Cb 0.55 -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 12.54 0.00 0.00 -3.46 2.03 -1.26 -3.01 116.55 123.39 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 0.29 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.69 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 1.79 2.90 0.27 0.00 -0.69 -5.13 105.19 104.33 1y1b n GLY 20 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.64 -0.61 -1.09 -1.21 -5.01 121.20 111.06 1y1b s ILE 21 Ca 0.00 -0.12 -0.18 0.00 -2.23 0.00 0.00 60.65 58.12 1y1b s ILE 21 Cb 0.00 -0.42 0.12 0.00 -1.58 0.00 0.00 42.46 40.57 1y1b s ILE 21 CO 0.00 0.17 0.75 -0.89 -1.23 0.00 0.00 174.94 173.73 1y1b s THR 22 N 0.54 4.88 0.50 2.92 2.01 -1.26 -0.77 115.64 124.46 1y1b s THR 22 Ca -0.06 -1.17 -0.18 0.00 0.31 0.00 0.00 61.69 60.59 1y1b s THR 22 Cb -0.10 -4.51 -0.08 0.00 0.01 0.00 0.00 72.50 67.82 1y1b s THR 22 CO -0.00 -1.15 0.99 -0.31 -0.69 0.00 0.00 174.62 173.45 1y1b s TYR 23 N 2.47 3.36 -0.98 4.92 1.51 -0.33 -4.81 117.35 123.50 1y1b s TYR 23 Ca 0.14 1.51 0.06 0.00 -1.01 0.00 0.00 57.07 57.77 1y1b s TYR 23 Cb -0.21 -2.84 0.28 0.00 -0.11 0.00 0.00 41.96 39.07 1y1b s TYR 23 CO 0.04 -0.40 1.20 0.41 -1.11 0.00 0.00 175.55 175.69 1y1b n GLY 24 N -1.26 -0.71 0.00 0.71 0.00 -1.26 -1.09 105.19 101.59 1y1b n GLY 24 Ca 0.07 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.07 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 -1.52 0.00 -0.06 1.61 0.23 -1.20 -1.11 115.26 113.21 1y1b n ASN 25 Ca 0.01 0.00 0.25 0.00 -0.53 0.00 0.00 54.58 54.31 1y1b n ASN 25 Cb 0.07 0.00 0.67 0.00 -2.08 0.00 0.00 39.78 38.44 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 2.50 -0.03 -2.53 0.00 -1.87 0.63 119.26 117.97 1y1b h ALA 26 Ca 0.00 -0.02 -0.16 0.00 0.00 0.00 0.00 54.91 54.73 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 -1.08 -0.59 0.00 0.00 0.00 0.00 179.25 177.58 1y1b h MET 28 N -0.02 0.00 0.37 0.00 2.86 -0.15 -2.75 114.93 115.25 1y1b h MET 28 Ca -0.07 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.56 1y1b h MET 28 Cb 1.28 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.94 1y1b h MET 28 CO 0.12 0.00 -0.18 1.25 1.06 0.00 0.00 176.91 179.16 1y1b h LEU 29 N 0.00 -0.42 -1.42 1.22 6.46 -0.90 -0.10 115.31 120.15 1y1b h LEU 29 Ca 0.00 -0.12 0.26 0.00 -0.12 0.00 0.00 57.88 57.90 1y1b h LEU 29 Cb 0.22 0.11 -0.09 0.00 -0.73 0.00 0.00 40.66 40.17 1y1b h LEU 29 CO 0.00 0.02 0.67 0.17 -0.62 0.00 0.00 178.44 178.68 1y1b h LEU 30 N -1.01 0.42 -0.94 2.25 -0.00 -1.37 2.51 115.31 117.17 1y1b h LEU 30 Ca -0.05 0.07 -0.09 0.00 -0.00 0.00 0.00 57.88 57.81 1y1b h LEU 30 Cb 0.51 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.16 1y1b h LEU 30 CO 0.08 0.10 -0.45 1.23 -0.00 0.00 0.00 178.44 179.40 1y1b h GLY 31 N 0.38 0.00 0.16 0.17 0.00 -1.41 -0.93 103.07 101.43 1y1b h GLY 31 Ca 0.57 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.90 1y1b h GLY 31 CO -0.26 0.00 -0.07 0.00 0.00 0.00 0.00 176.54 176.21 1y1b h ALA 32 N 1.55 -0.19 -1.21 3.60 0.00 0.59 -2.92 119.26 120.67 1y1b h ALA 32 Ca -0.00 -0.09 0.41 0.00 0.00 0.00 0.00 54.91 55.23 1y1b h ALA 32 Cb 0.92 0.07 -0.14 0.00 0.00 0.00 0.00 17.79 18.65 1y1b h ALA 32 CO 0.06 -0.19 0.75 1.03 0.00 0.00 0.00 179.25 180.90 1y1b h SER 33 N -1.03 0.30 0.04 0.00 0.87 0.24 0.89 113.55 114.86 1y1b h SER 33 Ca -0.02 0.17 -0.00 0.00 -1.23 0.00 0.00 61.79 60.71 1y1b h SER 33 Cb 0.25 0.15 0.00 0.00 -0.44 0.00 0.00 62.40 62.37 1y1b h SER 33 CO 0.03 -0.22 -0.02 0.00 -0.53 0.00 0.00 176.83 176.09 1y1b n ARG 35 N -5.00 0.02 0.00 0.00 5.12 0.26 -4.49 116.66 112.57 1y1b n ARG 35 Ca -0.08 0.09 0.00 0.00 -1.93 0.00 0.00 57.85 55.93 1y1b n ARG 35 Cb 0.15 -1.53 0.00 0.00 -1.16 0.00 0.00 32.46 29.92 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 -1.58 0.00 0.00 0.55 2.88 0.16 -5.06 113.62 110.57 1y1b n SER 36 Ca 0.06 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.60 1y1b n SER 36 Cb 0.30 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.76 1y1b n SER 36 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 1y1b n ASP 37 N 0.00 0.00 -4.58 -3.46 8.00 -1.19 -5.08 116.55 110.24 1y1b n ASP 37 Ca 0.00 0.00 -0.25 0.00 0.71 0.00 0.00 54.79 55.25 1y1b n ASP 37 Cb 0.00 0.00 -0.09 0.00 -0.02 0.00 0.00 41.12 41.01 1y1b n ASP 37 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1y1b s THR 38 N 0.00 2.53 -1.28 -3.53 -4.23 -1.26 -5.05 115.64 102.82 1y1b s THR 38 Ca 0.00 -2.11 -0.18 0.00 -1.18 0.00 0.00 61.69 58.22 1y1b s THR 38 Cb 0.00 -2.68 0.01 0.00 1.34 0.00 0.00 72.50 71.18 1y1b s THR 38 CO 0.00 -0.24 1.95 -0.81 -0.54 0.00 0.00 174.62 174.98 1y1b n PRO 39 N -0.85 2.69 -1.25 3.99 -0.04 -1.26 -4.69 135.00 133.59 1y1b n PRO 39 Ca -0.05 -2.79 -0.36 0.00 -0.04 0.00 0.00 63.50 60.26 1y1b n PRO 39 Cb 0.62 -3.40 0.08 0.00 -0.04 0.00 0.00 33.50 30.76 1y1b n PRO 39 CO 0.00 0.00 0.00 0.44 -0.04 0.00 0.00 175.50 175.90 1y1b n ILE 40 N 6.11 1.87 -4.43 0.52 -5.35 -1.26 -5.02 119.36 111.80 1y1b n ILE 40 Ca 0.50 -0.37 -0.19 0.00 -0.27 0.00 0.00 62.75 62.41 1y1b n ILE 40 Cb 0.43 -0.81 -0.04 0.00 -1.74 0.00 0.00 39.64 37.48 1y1b n ILE 40 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 1y1b n GLU 41 N -1.08 1.10 -4.66 6.28 1.02 -1.16 -4.89 120.64 117.25 1y1b n GLU 41 Ca 0.10 -2.28 -0.33 0.00 -0.02 0.00 0.00 57.16 54.64 1y1b n GLU 41 Cb 0.50 0.76 -0.13 0.00 -0.02 0.00 0.00 31.44 32.55 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 2.94 -0.02 -4.62 1.98 -1.26 0.15 118.68 117.85 1y1b s LEU 42 Ca 0.03 -0.21 -0.03 0.00 -2.89 0.00 0.00 54.13 51.03 1y1b s LEU 42 Cb 0.00 -1.67 -0.02 0.00 0.66 0.00 0.00 46.19 45.17 1y1b s LEU 42 CO 0.02 0.21 -0.07 1.33 -1.89 0.00 0.00 176.35 175.96 1y1b n VAL 43 N 3.21 0.60 -4.25 1.68 0.24 -0.24 -4.69 118.33 114.87 1y1b n VAL 43 Ca -0.18 0.06 -0.17 0.00 -2.04 0.00 0.00 64.34 62.01 1y1b n VAL 43 Cb 0.53 -1.62 -0.13 0.00 -1.47 0.00 0.00 33.84 31.14 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 -2.12 0.89 -1.26 6.34 3.76 -1.08 -5.02 115.29 116.79 1y1b s HIS 44 Ca -0.07 -0.31 -0.07 0.00 -0.15 0.00 0.00 55.06 54.47 1y1b s HIS 44 Cb 0.02 -0.54 0.17 0.00 1.11 0.00 0.00 32.58 33.34 1y1b s HIS 44 CO 0.09 -0.01 2.04 1.63 -0.85 0.00 0.00 174.74 177.64 1y1b n LYS 45 N 2.14 4.21 -3.29 1.40 4.01 -1.26 -0.08 118.16 125.29 1y1b n LYS 45 Ca -0.17 -3.66 0.00 0.00 -0.51 0.00 0.00 58.31 53.96 1y1b n LYS 45 Cb 0.56 -2.74 0.00 0.00 -0.51 0.00 0.00 35.03 32.34 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 2.05 -0.54 2.17 0.72 0.00 0.15 -4.82 105.19 104.93 1y1b n GLY 46 Ca 0.48 -0.78 -0.25 0.00 0.00 0.00 0.00 46.02 45.47 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 2.80 -0.15 1.61 1.74 -1.26 -2.76 116.66 118.63 1y1b n ARG 47 Ca 0.00 -1.57 0.00 0.00 -0.77 0.00 0.00 57.85 55.51 1y1b n ARG 47 Cb 0.00 -2.39 0.00 0.00 -1.02 0.00 0.00 32.46 29.05 1y1b n ARG 47 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11