#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1y1c s PRO 2 N 0.00 -1.29 -1.23 1.64 0.04 -1.26 -4.86 135.00 128.04 1y1c s PRO 2 Ca 0.00 -0.14 -0.15 0.00 0.04 0.00 0.00 61.00 60.75 1y1c s PRO 2 Cb 0.00 -1.59 -0.04 0.00 0.04 0.00 0.00 34.50 32.90 1y1c s PRO 2 CO 0.00 -3.74 2.22 -0.25 0.04 0.00 0.00 177.00 175.27 1y1c n ASP 3 N -4.77 4.19 -4.61 6.66 8.00 -1.26 -4.83 116.55 119.92 1y1c n ASP 3 Ca 0.14 -2.71 -0.42 0.00 0.71 0.00 0.00 54.79 52.51 1y1c n ASP 3 Cb 0.60 -1.43 -0.04 0.00 -0.02 0.00 0.00 41.12 40.22 1y1c n ASP 3 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1y1c s ALA 4 N 3.62 3.48 1.10 2.24 0.00 -1.26 -5.04 121.76 125.90 1y1c s ALA 4 Ca 0.52 -0.39 -0.18 0.00 0.00 0.00 0.00 51.96 51.92 1y1c s ALA 4 Cb 0.14 -3.45 0.12 0.00 0.00 0.00 0.00 23.12 19.93 1y1c s ALA 4 CO -0.02 -1.41 0.01 -2.30 0.00 0.00 0.00 175.76 172.04 1y1c n PRO 5 N 6.53 -1.82 -1.86 0.00 -0.02 -1.26 -2.94 135.00 133.63 1y1c n PRO 5 Ca 0.06 -0.53 -0.36 0.00 -2.02 0.00 0.00 63.50 60.66 1y1c n PRO 5 Cb 0.48 -1.60 0.04 0.00 -0.02 0.00 0.00 33.50 32.40 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 -0.63 -0.40 0.02 0.00 5.41 -1.26 -4.77 119.36 117.73 1y1c n ILE 7 Ca 0.54 -2.60 -0.22 0.00 1.00 0.00 0.00 62.75 61.47 1y1c n ILE 7 Cb 0.44 -0.20 -0.14 0.00 -0.71 0.00 0.00 39.64 39.02 1y1c n ILE 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1y1c n THR 9 N -3.64 0.00 -0.77 0.00 5.66 -1.26 -5.01 114.28 109.26 1y1c n THR 9 Ca -0.29 -0.37 0.08 0.00 -3.05 0.00 0.00 64.05 60.42 1y1c n THR 9 Cb 1.01 0.63 0.28 0.00 -1.55 0.00 0.00 70.33 70.70 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 -0.71 3.38 -0.75 1.09 2.81 -1.26 -4.77 117.12 116.91 1y1c n MET 10 Ca 0.00 -2.76 -0.21 0.00 -1.81 0.00 0.00 57.70 52.92 1y1c n MET 10 Cb 0.52 -1.82 -0.03 0.00 -0.71 0.00 0.00 33.22 31.18 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 0.14 2.06 -0.72 0.03 0.00 -1.26 -4.84 117.38 112.79 1y1c n GLN 11 Ca 0.21 -1.38 -0.09 0.00 -0.00 0.00 0.00 57.00 55.74 1y1c n GLN 11 Cb 0.86 -2.38 -0.09 0.00 0.00 0.00 0.00 30.24 28.62 1y1c n GLN 11 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.06 178.04 1y1c n TYR 12 N 3.95 0.00 -3.27 3.69 9.36 -1.26 -4.74 117.16 124.89 1y1c n TYR 12 Ca 0.44 0.00 -0.27 0.00 3.32 0.00 0.00 57.90 61.39 1y1c n TYR 12 Cb 0.19 -0.26 -0.07 0.00 -0.63 0.00 0.00 39.34 38.58 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 2.73 3.88 -4.53 2.98 2.03 0.18 -5.02 116.55 118.81 1y1c n ASP 13 Ca 0.28 -3.50 -0.32 0.00 0.52 0.00 0.00 54.79 51.77 1y1c n ASP 13 Cb 0.11 -0.64 -0.09 0.00 -0.72 0.00 0.00 41.12 39.78 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 0.53 0.55 -3.52 -0.67 -0.04 -0.89 -3.56 135.00 127.40 1y1c n PRO 14 Ca 0.30 -0.15 -0.38 0.00 -0.04 0.00 0.00 63.50 63.24 1y1c n PRO 14 Cb 0.41 -2.67 -0.09 0.00 -0.04 0.00 0.00 33.50 31.11 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 10.44 5.27 -0.25 0.52 -7.23 0.32 -0.97 120.40 128.50 1y1c s VAL 15 Ca 1.12 0.42 -0.29 0.00 -1.81 0.00 0.00 61.98 61.42 1y1c s VAL 15 Cb -0.55 -3.61 0.00 0.00 0.56 0.00 0.00 36.38 32.78 1y1c s VAL 15 CO 0.33 0.27 1.16 0.00 -0.31 0.00 0.00 175.10 176.56 1y1c s GLY 17 N 1.86 1.93 -0.76 0.00 0.00 0.75 -0.09 107.32 111.02 1y1c s GLY 17 Ca 0.50 -0.84 -0.25 0.00 0.00 0.00 0.00 44.72 44.13 1y1c s GLY 17 CO 0.14 -0.65 2.45 -1.26 0.00 0.00 0.00 173.10 173.77 1y1c n SER 18 N 1.69 1.15 0.00 1.64 2.88 0.16 -2.10 113.62 119.05 1y1c n SER 18 Ca -0.16 -0.60 0.00 0.00 -1.33 0.00 0.00 58.87 56.78 1y1c n SER 18 Cb 0.53 -1.29 0.00 0.00 -0.75 0.00 0.00 64.21 62.70 1y1c n SER 18 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 1y1c n ASP 19 N 13.81 0.00 0.00 -3.46 -0.08 -1.26 -3.02 116.55 122.54 1y1c n ASP 19 Ca 0.51 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.79 1y1c n ASP 19 Cb 0.34 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.80 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 1.72 2.93 0.27 0.00 -0.89 -5.13 105.19 104.09 1y1c n GLY 20 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 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 0.13 -0.52 -0.61 -1.09 -1.20 -5.02 121.20 110.88 1y1c s ILE 21 Ca 0.00 -0.44 -0.10 0.00 -2.23 0.00 0.00 60.65 57.87 1y1c s ILE 21 Cb 0.00 -0.18 0.13 0.00 -1.58 0.00 0.00 42.46 40.83 1y1c s ILE 21 CO 0.00 -0.20 0.41 -0.89 -1.23 0.00 0.00 174.94 173.03 1y1c s THR 22 N -0.66 4.48 -0.13 2.92 2.01 -1.26 -0.17 115.64 122.82 1y1c s THR 22 Ca -0.06 -1.86 -0.29 0.00 0.31 0.00 0.00 61.69 59.78 1y1c s THR 22 Cb -0.05 -3.92 -0.01 0.00 0.01 0.00 0.00 72.50 68.54 1y1c s THR 22 CO -0.00 -0.82 1.01 -0.31 -0.69 0.00 0.00 174.62 173.81 1y1c s TYR 23 N 1.23 3.47 0.61 4.92 2.02 0.64 -4.71 117.35 125.54 1y1c s TYR 23 Ca 0.07 1.57 0.24 0.00 -0.37 0.00 0.00 57.07 58.57 1y1c s TYR 23 Cb -0.25 -3.21 0.90 0.00 -0.40 0.00 0.00 41.96 39.00 1y1c s TYR 23 CO -0.01 -0.28 1.36 0.78 -1.57 0.00 0.00 175.55 175.83 1y1c h GLY 24 N 8.33 0.00 -4.89 0.71 0.00 -1.85 0.93 103.07 106.30 1y1c h GLY 24 Ca -0.28 0.00 0.13 0.00 0.00 0.00 0.00 47.33 47.18 1y1c h GLY 24 CO 0.88 0.00 0.67 0.54 0.00 0.00 0.00 176.54 178.63 1y1c s ASN 25 N -3.65 -0.27 0.60 0.19 2.20 -1.23 0.52 114.94 113.31 1y1c s ASN 25 Ca -0.03 0.36 0.27 0.00 -0.94 0.00 0.00 52.86 52.53 1y1c s ASN 25 Cb 0.12 0.31 1.21 0.00 -2.00 0.00 0.00 41.25 40.89 1y1c s ASN 25 CO 0.42 -0.20 1.61 0.00 -2.94 0.00 0.00 177.10 175.99 1y1c h ALA 26 N 2.77 2.47 0.01 3.54 0.00 -1.78 0.57 119.26 126.83 1y1c h ALA 26 Ca -0.18 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.70 1y1c h ALA 26 Cb 1.17 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1y1c h ALA 26 CO 0.24 -1.16 -0.00 0.00 0.00 0.00 0.00 179.25 178.33 1y1c h MET 28 N -0.89 0.27 0.07 0.00 2.86 -0.23 2.22 114.93 119.23 1y1c h MET 28 Ca -0.00 -0.02 0.01 0.00 -2.06 0.00 0.00 59.70 57.63 1y1c h MET 28 Cb 0.85 -0.06 -0.01 0.00 0.06 0.00 0.00 31.60 32.44 1y1c h MET 28 CO 0.00 0.18 -0.11 1.25 1.06 0.00 0.00 176.91 179.29 1y1c h LEU 29 N 0.27 -0.29 -1.80 1.22 6.46 -0.73 0.33 115.31 120.77 1y1c h LEU 29 Ca 0.62 0.03 0.29 0.00 -0.12 0.00 0.00 57.88 58.70 1y1c h LEU 29 Cb 1.79 0.11 -0.06 0.00 -0.73 0.00 0.00 40.66 41.77 1y1c h LEU 29 CO -0.25 -0.16 0.72 -0.07 -0.62 0.00 0.00 178.44 178.06 1y1c h LEU 30 N -0.22 0.14 -0.28 2.25 3.38 0.47 2.67 115.31 123.72 1y1c h LEU 30 Ca 0.02 0.02 -0.19 0.00 0.09 0.00 0.00 57.88 57.82 1y1c h LEU 30 Cb 0.23 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.96 1y1c h LEU 30 CO -0.05 0.03 -0.87 0.00 0.09 0.00 0.00 178.44 177.64 1y1c h ALA 32 N 1.08 -0.88 -0.33 0.00 0.00 0.78 -0.09 119.26 119.82 1y1c h ALA 32 Ca -0.02 -0.18 0.10 0.00 0.00 0.00 0.00 54.91 54.80 1y1c h ALA 32 Cb 1.52 0.33 -0.01 0.00 0.00 0.00 0.00 17.79 19.62 1y1c h ALA 32 CO 0.12 -0.82 0.38 1.03 0.00 0.00 0.00 179.25 179.97 1y1c h SER 33 N -1.17 0.00 1.18 0.00 0.87 0.01 0.90 113.55 115.34 1y1c h SER 33 Ca -0.09 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.47 1y1c h SER 33 Cb 0.65 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.61 1y1c h SER 33 CO 0.14 0.00 -0.35 0.00 -0.53 0.00 0.00 176.83 176.09 1y1c h ALA 34 N 1.54 0.77 0.02 6.23 0.00 -1.10 -3.35 119.26 123.37 1y1c h ALA 34 Ca 0.16 0.00 -0.39 0.00 0.00 0.00 0.00 54.91 54.67 1y1c h ALA 34 Cb 0.92 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.66 1y1c h ALA 34 CO -0.00 0.00 -2.29 0.54 0.00 0.00 0.00 179.25 177.50 1y1c n ARG 35 N -2.24 0.64 0.00 0.00 1.74 0.29 -4.91 116.66 112.17 1y1c n ARG 35 Ca 0.04 0.25 0.00 0.00 -0.77 0.00 0.00 57.85 57.37 1y1c n ARG 35 Cb 0.44 -1.57 0.00 0.00 -1.02 0.00 0.00 32.46 30.32 1y1c n ARG 35 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1y1c n SER 36 N -3.75 0.00 0.00 0.55 2.88 -0.03 -5.06 113.62 108.21 1y1c n SER 36 Ca -0.45 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.09 1y1c n SER 36 Cb 0.93 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.39 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 -4.65 -3.46 5.68 -1.26 -5.06 116.55 107.81 1y1c n ASP 37 Ca 0.00 0.00 -0.39 0.00 -0.50 0.00 0.00 54.79 53.90 1y1c n ASP 37 Cb 0.00 0.00 -0.08 0.00 -1.14 0.00 0.00 41.12 39.90 1y1c n ASP 37 CO 0.00 0.00 0.00 0.28 -1.33 0.00 0.00 177.20 176.15 1y1c s THR 38 N 0.00 5.16 -0.93 2.12 -1.32 -1.26 -4.99 115.64 114.42 1y1c s THR 38 Ca 0.00 0.73 -0.25 0.00 -1.21 0.00 0.00 61.69 60.96 1y1c s THR 38 Cb 0.00 -3.75 -0.13 0.00 -1.51 0.00 0.00 72.50 67.11 1y1c s THR 38 CO 0.00 0.19 2.18 -2.84 -2.21 0.00 0.00 174.62 171.95 1y1c s PRO 39 N 1.68 1.81 0.73 7.08 0.02 -1.26 -4.76 135.00 140.30 1y1c s PRO 39 Ca 0.19 -0.10 -0.17 0.00 0.02 0.00 0.00 61.00 60.94 1y1c s PRO 39 Cb -0.15 -4.95 -0.14 0.00 0.02 0.00 0.00 34.50 29.28 1y1c s PRO 39 CO 0.09 -4.43 -0.46 0.44 -0.33 0.00 0.00 177.00 172.31 1y1c n ILE 40 N 8.54 0.00 -3.81 2.83 -0.00 -1.26 -4.94 119.36 120.72 1y1c n ILE 40 Ca 0.44 -0.48 -0.30 0.00 -0.00 0.00 0.00 62.75 62.41 1y1c n ILE 40 Cb 0.45 0.00 -0.14 0.00 -0.00 0.00 0.00 39.64 39.95 1y1c n ILE 40 CO 0.00 0.00 0.00 -1.61 -0.00 0.00 0.00 176.55 174.94 1y1c s GLU 41 N -1.46 1.27 0.24 6.28 2.02 -1.17 -4.84 118.70 121.05 1y1c s GLU 41 Ca 0.46 -1.82 -0.13 0.00 0.02 0.00 0.00 54.97 53.50 1y1c s GLU 41 Cb -0.32 -2.55 -0.09 0.00 0.10 0.00 0.00 34.13 31.27 1y1c s GLU 41 CO 0.72 -1.07 0.05 1.28 0.02 0.00 0.00 175.26 176.26 1y1c n LEU 42 N 3.96 -1.71 0.00 1.80 7.99 -1.26 0.40 117.00 128.18 1y1c n LEU 42 Ca 0.04 0.49 0.00 0.00 -0.01 0.00 0.00 56.01 56.53 1y1c n LEU 42 Cb 0.37 -0.53 0.00 0.00 -0.11 0.00 0.00 43.42 43.16 1y1c n LEU 42 CO 0.22 -2.51 -0.21 1.33 -1.51 0.00 0.00 177.39 174.72 1y1c n VAL 43 N -0.60 0.00 -3.69 4.08 0.24 0.88 -4.44 118.33 114.79 1y1c n VAL 43 Ca 0.07 0.00 -0.14 0.00 -2.04 0.00 0.00 64.34 62.23 1y1c n VAL 43 Cb 0.24 -0.62 -0.14 0.00 -1.47 0.00 0.00 33.84 31.85 1y1c n VAL 43 CO 0.00 0.00 0.00 -1.38 -2.14 0.00 0.00 176.83 173.31 1y1c s HIS 44 N -1.75 -0.33 -0.76 6.34 0.00 -0.92 -5.02 115.29 112.84 1y1c s HIS 44 Ca 0.00 0.82 -0.05 0.00 -3.00 0.00 0.00 55.06 52.83 1y1c s HIS 44 Cb 0.00 -0.06 -0.06 0.00 -4.00 0.00 0.00 32.58 28.46 1y1c s HIS 44 CO 0.00 -0.29 2.09 0.36 -1.00 0.00 0.00 174.74 175.90 1y1c n LYS 45 N 4.96 1.88 -0.01 -0.38 -0.00 -1.26 0.74 118.16 124.10 1y1c n LYS 45 Ca -0.13 -1.30 0.00 0.00 -0.00 0.00 0.00 58.31 56.89 1y1c n LYS 45 Cb 0.51 -2.34 0.00 0.00 -0.00 0.00 0.00 35.03 33.20 1y1c n LYS 45 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1y1c n GLY 46 N 3.62 1.49 2.46 2.58 0.00 -0.14 -4.72 105.19 110.49 1y1c n GLY 46 Ca 0.40 -0.65 -0.36 0.00 0.00 0.00 0.00 46.02 45.41 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 0.00 4.00 -0.04 1.61 1.74 -1.19 -1.86 116.66 120.91 1y1c n ARG 47 Ca 0.00 -3.09 0.00 0.00 -0.77 0.00 0.00 57.85 53.99 1y1c n ARG 47 Cb 0.00 -2.51 0.00 0.00 -1.02 0.00 0.00 32.46 28.93 1y1c n ARG 47 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11