#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1y1c n PRO 2 N 0.00 -0.10 0.00 1.97 -0.02 -1.26 -5.02 135.00 130.57 1y1c n PRO 2 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 1y1c n PRO 2 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.48 1y1c n PRO 2 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 1y1c n ASP 3 N -1.13 -1.05 0.00 2.55 2.03 -1.26 -5.04 116.55 112.64 1y1c n ASP 3 Ca 0.00 -0.24 0.00 0.00 0.52 0.00 0.00 54.79 55.07 1y1c n ASP 3 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 1y1c n ASP 3 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1y1c n ALA 4 N -3.00 0.00 -0.49 -1.67 0.00 -1.26 -4.84 120.51 109.25 1y1c n ALA 4 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.28 1y1c n ALA 4 Cb 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.45 1y1c n ALA 4 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1y1c n PRO 5 N -2.38 0.00 -2.26 0.00 -0.02 -1.26 0.11 135.00 129.19 1y1c n PRO 5 Ca 0.00 0.00 -0.39 0.00 -2.02 0.00 0.00 63.50 61.09 1y1c n PRO 5 Cb 0.00 -0.37 0.03 0.00 -0.02 0.00 0.00 33.50 33.14 1y1c n PRO 5 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1y1c n ILE 7 N -0.35 -0.77 -0.11 0.00 2.08 -1.26 -4.83 119.36 114.12 1y1c n ILE 7 Ca 0.50 -2.74 -0.15 0.00 0.56 0.00 0.00 62.75 60.92 1y1c n ILE 7 Cb 0.27 -0.80 -0.10 0.00 -0.75 0.00 0.00 39.64 38.26 1y1c n ILE 7 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1y1c n THR 9 N -3.11 0.00 -1.24 0.00 5.66 -1.26 -5.02 114.28 109.31 1y1c n THR 9 Ca -0.38 0.00 0.05 0.00 -3.05 0.00 0.00 64.05 60.66 1y1c n THR 9 Cb 0.92 0.00 0.06 0.00 -1.55 0.00 0.00 70.33 69.77 1y1c n THR 9 CO 0.00 0.00 0.00 0.23 -3.05 0.00 0.00 175.07 172.25 1y1c n MET 10 N 0.00 0.95 -0.78 1.09 2.81 -1.26 -4.90 117.12 115.02 1y1c n MET 10 Ca 0.00 -1.73 -0.22 0.00 -1.81 0.00 0.00 57.70 53.94 1y1c n MET 10 Cb 0.00 -1.01 -0.03 0.00 -0.71 0.00 0.00 33.22 31.47 1y1c n MET 10 CO 0.00 0.00 0.00 0.94 1.51 0.00 0.00 175.97 178.42 1y1c n GLN 11 N -0.71 2.16 -0.42 0.03 7.27 -1.26 -4.84 117.38 119.61 1y1c n GLN 11 Ca 0.07 -1.44 -0.04 0.00 0.07 0.00 0.00 57.00 55.67 1y1c n GLN 11 Cb 0.60 -2.41 -0.04 0.00 2.41 0.00 0.00 30.24 30.80 1y1c n GLN 11 CO 0.00 0.00 0.00 0.98 0.07 0.00 0.00 177.06 178.11 1y1c n TYR 12 N 3.96 0.00 -3.28 3.69 9.36 -1.26 -4.74 117.16 124.89 1y1c n TYR 12 Ca 0.46 0.00 -0.27 0.00 3.32 0.00 0.00 57.90 61.41 1y1c n TYR 12 Cb 0.19 -0.17 -0.07 0.00 -0.63 0.00 0.00 39.34 38.66 1y1c n TYR 12 CO 0.00 0.00 0.00 -3.47 0.22 0.00 0.00 176.86 173.61 1y1c n ASP 13 N 1.66 3.69 -4.54 2.98 2.03 0.22 -5.02 116.55 117.57 1y1c n ASP 13 Ca 0.11 -3.46 -0.27 0.00 0.52 0.00 0.00 54.79 51.69 1y1c n ASP 13 Cb 0.11 -0.64 -0.10 0.00 -0.72 0.00 0.00 41.12 39.77 1y1c n ASP 13 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 1y1c n PRO 14 N 0.59 0.53 -3.49 -0.67 -0.04 -0.93 -3.48 135.00 127.51 1y1c n PRO 14 Ca 0.30 -0.27 -0.37 0.00 -0.04 0.00 0.00 63.50 63.12 1y1c n PRO 14 Cb 0.42 -2.77 -0.08 0.00 -0.04 0.00 0.00 33.50 31.03 1y1c n PRO 14 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1y1c s VAL 15 N 10.46 5.26 -0.25 0.52 -7.23 0.30 -1.25 120.40 128.22 1y1c s VAL 15 Ca 1.09 0.56 -0.29 0.00 -1.81 0.00 0.00 61.98 61.53 1y1c s VAL 15 Cb -0.47 -3.66 0.01 0.00 0.56 0.00 0.00 36.38 32.82 1y1c s VAL 15 CO 0.30 0.32 1.12 0.00 -0.31 0.00 0.00 175.10 176.52 1y1c s GLY 17 N 1.64 1.86 -0.82 0.00 0.00 0.23 0.07 107.32 110.29 1y1c s GLY 17 Ca 0.48 -0.99 -0.25 0.00 0.00 0.00 0.00 44.72 43.96 1y1c s GLY 17 CO 0.12 -0.87 2.49 -1.14 0.00 0.00 0.00 173.10 173.70 1y1c n SER 18 N 1.31 0.78 0.00 1.64 3.41 0.24 -2.00 113.62 119.00 1y1c n SER 18 Ca -0.14 -0.35 0.00 0.00 -0.26 0.00 0.00 58.87 58.12 1y1c n SER 18 Cb 0.53 -1.14 0.00 0.00 -0.26 0.00 0.00 64.21 63.33 1y1c n SER 18 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1y1c n ASP 19 N 12.29 0.00 0.00 4.04 -0.08 -1.26 -2.95 116.55 128.60 1y1c n ASP 19 Ca 0.55 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.83 1y1c n ASP 19 Cb 0.25 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.71 1y1c n ASP 19 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1y1c n GLY 20 N 0.00 1.93 3.20 0.27 0.00 -0.85 -5.11 105.19 104.64 1y1c n GLY 20 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 1y1c n GLY 20 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1y1c s ILE 21 N -2.00 1.39 -0.52 -0.61 1.01 -1.20 -5.01 121.20 114.25 1y1c s ILE 21 Ca 0.00 -1.16 -0.08 0.00 0.00 0.00 0.00 60.65 59.40 1y1c s ILE 21 Cb 0.00 -1.24 0.13 0.00 0.01 0.00 0.00 42.46 41.36 1y1c s ILE 21 CO 0.00 0.05 0.39 -0.89 0.00 0.00 0.00 174.94 174.49 1y1c s THR 22 N -0.90 4.21 -0.17 2.92 2.01 -1.26 -0.60 115.64 121.84 1y1c s THR 22 Ca 0.04 -2.03 -0.28 0.00 0.31 0.00 0.00 61.69 59.73 1y1c s THR 22 Cb -0.09 -3.76 -0.01 0.00 0.01 0.00 0.00 72.50 68.66 1y1c s THR 22 CO 0.02 -0.81 0.95 -0.31 -0.69 0.00 0.00 174.62 173.78 1y1c s TYR 23 N 1.04 3.43 0.59 4.92 2.02 0.69 -4.72 117.35 125.32 1y1c s TYR 23 Ca 0.09 1.42 0.33 0.00 -0.37 0.00 0.00 57.07 58.54 1y1c s TYR 23 Cb -0.24 -3.14 1.13 0.00 -0.40 0.00 0.00 41.96 39.31 1y1c s TYR 23 CO -0.02 -0.31 1.36 0.41 -1.57 0.00 0.00 175.55 175.43 1y1c n GLY 24 N 3.31 -0.82 3.60 0.71 0.00 -1.26 0.11 105.19 110.84 1y1c n GLY 24 Ca 0.08 0.45 -0.08 0.00 0.00 0.00 0.00 46.02 46.47 1y1c n GLY 24 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1y1c s ASN 25 N -3.56 -0.27 0.61 1.61 2.20 -1.23 0.71 114.94 115.01 1y1c s ASN 25 Ca -0.03 0.32 0.26 0.00 -0.94 0.00 0.00 52.86 52.47 1y1c s ASN 25 Cb 0.18 0.25 1.18 0.00 -2.00 0.00 0.00 41.25 40.86 1y1c s ASN 25 CO 0.58 -0.24 1.61 0.00 -2.94 0.00 0.00 177.10 176.12 1y1c h ALA 26 N 2.52 2.38 0.01 3.54 0.00 -1.78 0.53 119.26 126.45 1y1c h ALA 26 Ca -0.16 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.73 1y1c h ALA 26 Cb 1.17 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1y1c h ALA 26 CO 0.27 -1.09 -0.00 0.00 0.00 0.00 0.00 179.25 178.42 1y1c h MET 28 N -0.90 0.35 0.04 0.00 2.86 -0.30 1.87 114.93 118.84 1y1c h MET 28 Ca -0.00 -0.02 0.02 0.00 -2.06 0.00 0.00 59.70 57.64 1y1c h MET 28 Cb 0.83 -0.08 -0.03 0.00 0.06 0.00 0.00 31.60 32.38 1y1c h MET 28 CO 0.00 0.23 -0.17 1.25 1.06 0.00 0.00 176.91 179.28 1y1c h LEU 29 N 0.36 -0.48 -1.79 1.22 6.46 -0.91 0.32 115.31 120.48 1y1c h LEU 29 Ca 0.67 0.06 0.28 0.00 -0.12 0.00 0.00 57.88 58.78 1y1c h LEU 29 Cb 1.69 0.19 -0.06 0.00 -0.73 0.00 0.00 40.66 41.75 1y1c h LEU 29 CO -0.41 -0.24 0.72 -0.07 -0.62 0.00 0.00 178.44 177.82 1y1c h LEU 30 N -0.30 0.15 -0.42 2.25 3.38 0.37 2.78 115.31 123.52 1y1c h LEU 30 Ca 0.04 0.03 -0.16 0.00 0.09 0.00 0.00 57.88 57.88 1y1c h LEU 30 Cb 0.34 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.07 1y1c h LEU 30 CO -0.13 0.04 -0.74 0.00 0.09 0.00 0.00 178.44 177.70 1y1c h ALA 32 N 1.26 -0.67 0.00 0.00 0.00 0.74 -2.24 119.26 118.35 1y1c h ALA 32 Ca -0.01 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1y1c h ALA 32 Cb 1.36 0.21 0.00 0.00 0.00 0.00 0.00 17.79 19.37 1y1c h ALA 32 CO 0.10 -0.63 0.00 0.43 0.00 0.00 0.00 179.25 179.14 1y1c n SER 33 N -4.50 0.43 0.04 0.00 7.64 0.14 0.89 113.62 118.26 1y1c n SER 33 Ca -0.07 0.68 -0.07 0.00 1.01 0.00 0.00 58.87 60.42 1y1c n SER 33 Cb 0.22 -0.74 -0.12 0.00 -1.01 0.00 0.00 64.21 62.56 1y1c n SER 33 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1y1c h ALA 34 N 2.07 0.48 0.00 -0.43 0.00 -1.09 -3.40 119.26 116.89 1y1c h ALA 34 Ca 0.00 -1.05 -0.16 0.00 0.00 0.00 0.00 54.91 53.70 1y1c h ALA 34 Cb 0.07 0.03 -0.32 0.00 0.00 0.00 0.00 17.79 17.58 1y1c h ALA 34 CO 0.00 1.32 -0.85 2.89 0.00 0.00 0.00 179.25 182.60 1y1c n ARG 35 N -3.25 0.00 0.00 0.00 -4.01 -0.56 -5.03 116.66 103.81 1y1c n ARG 35 Ca -0.05 -1.73 0.00 0.00 -1.04 0.00 0.00 57.85 55.03 1y1c n ARG 35 Cb 0.96 0.08 0.00 0.00 -3.04 0.00 0.00 32.46 30.47 1y1c n ARG 35 CO 0.00 0.00 0.00 0.45 -3.04 0.00 0.00 177.63 175.04 1y1c n SER 36 N 0.37 0.00 0.00 2.89 2.88 0.26 -4.99 113.62 115.02 1y1c n SER 36 Ca -0.01 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.53 1y1c n SER 36 Cb 1.03 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.49 1y1c n SER 36 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 1y1c n ASP 37 N 0.00 0.00 -4.08 -3.46 5.75 -1.26 -5.09 116.55 108.41 1y1c n ASP 37 Ca 0.00 0.00 -0.25 0.00 -0.01 0.00 0.00 54.79 54.53 1y1c n ASP 37 Cb 0.00 0.00 -0.16 0.00 -1.03 0.00 0.00 41.12 39.93 1y1c n ASP 37 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 1y1c s THR 38 N 0.00 1.27 -0.79 2.12 2.01 -1.26 -5.07 115.64 113.92 1y1c s THR 38 Ca 0.00 -0.60 -0.26 0.00 0.31 0.00 0.00 61.69 61.15 1y1c s THR 38 Cb 0.00 -1.12 -0.13 0.00 0.01 0.00 0.00 72.50 71.26 1y1c s THR 38 CO 0.00 0.38 2.39 -2.84 -0.69 0.00 0.00 174.62 173.86 1y1c s PRO 39 N 0.31 1.63 0.94 4.92 0.02 -1.26 -4.81 135.00 136.75 1y1c s PRO 39 Ca -0.09 0.47 -0.11 0.00 0.02 0.00 0.00 61.00 61.29 1y1c s PRO 39 Cb -0.13 -4.79 0.16 0.00 0.02 0.00 0.00 34.50 29.76 1y1c s PRO 39 CO 0.03 -4.42 1.10 0.96 -0.33 0.00 0.00 177.00 174.34 1y1c s ILE 40 N 14.65 2.37 -0.25 2.83 -4.36 -1.26 -5.01 121.20 130.17 1y1c s ILE 40 Ca 0.92 0.12 -0.02 0.00 -0.26 0.00 0.00 60.65 61.41 1y1c s ILE 40 Cb -0.13 -2.31 0.13 0.00 1.25 0.00 0.00 42.46 41.40 1y1c s ILE 40 CO 0.08 -0.16 0.35 -1.61 0.24 0.00 0.00 174.94 173.84 1y1c s GLU 41 N -4.71 0.33 0.22 0.37 2.02 -1.15 -4.85 118.70 110.93 1y1c s GLU 41 Ca 0.66 0.33 -0.09 0.00 0.02 0.00 0.00 54.97 55.88 1y1c s GLU 41 Cb -0.21 -0.60 -0.07 0.00 0.10 0.00 0.00 34.13 33.35 1y1c s GLU 41 CO 0.59 -0.76 -0.02 1.28 0.02 0.00 0.00 175.26 176.37 1y1c n LEU 42 N 5.35 -1.57 0.00 1.80 7.99 -1.26 0.83 117.00 130.13 1y1c n LEU 42 Ca -0.03 0.33 0.00 0.00 -0.01 0.00 0.00 56.01 56.30 1y1c n LEU 42 Cb 0.49 -0.40 0.00 0.00 -0.11 0.00 0.00 43.42 43.40 1y1c n LEU 42 CO 0.04 -2.13 0.00 0.52 -1.51 0.00 0.00 177.39 174.32 1y1c n VAL 43 N -0.62 0.00 -3.66 4.08 0.31 0.11 -4.38 118.33 114.17 1y1c n VAL 43 Ca 0.04 0.00 -0.07 0.00 -0.01 0.00 0.00 64.34 64.30 1y1c n VAL 43 Cb 0.21 0.00 -0.08 0.00 -0.91 0.00 0.00 33.84 33.05 1y1c n VAL 43 CO 0.00 0.00 0.00 -1.38 -1.32 0.00 0.00 176.83 174.13 1y1c s HIS 44 N -1.00 -0.90 -0.69 3.52 0.00 -0.81 -5.02 115.29 110.40 1y1c s HIS 44 Ca 0.00 1.68 -0.20 0.00 -3.00 0.00 0.00 55.06 53.54 1y1c s HIS 44 Cb 0.00 0.41 -0.16 0.00 -4.00 0.00 0.00 32.58 28.83 1y1c s HIS 44 CO 0.00 -0.51 1.89 1.63 -1.00 0.00 0.00 174.74 176.75 1y1c n LYS 45 N 5.29 1.39 -3.19 -0.38 5.02 -1.26 0.77 118.16 125.80 1y1c n LYS 45 Ca -0.11 -1.66 0.00 0.00 -2.02 0.00 0.00 58.31 54.52 1y1c n LYS 45 Cb 0.50 -2.78 0.00 0.00 -0.02 0.00 0.00 35.03 32.73 1y1c n LYS 45 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1y1c n GLY 46 N 4.45 -1.29 2.24 0.72 0.00 -0.38 -4.79 105.19 106.15 1y1c n GLY 46 Ca 0.47 -0.90 -0.32 0.00 0.00 0.00 0.00 46.02 45.27 1y1c n GLY 46 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1y1c n ARG 47 N -0.02 3.29 0.00 1.61 1.74 -1.26 -2.41 116.66 119.61 1y1c n ARG 47 Ca 0.00 -1.93 0.00 0.00 -0.77 0.00 0.00 57.85 55.15 1y1c n ARG 47 Cb 0.00 -2.59 0.00 0.00 -1.02 0.00 0.00 32.46 28.85 1y1c n ARG 47 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11