#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 -0.72 -2.02 1.64 -0.04 -1.26 -4.99 135.00 127.61 1y1c n PRO 2 Ca 0.00 -0.56 -0.34 0.00 -0.04 0.00 0.00 63.50 62.55 1y1c n PRO 2 Cb 0.00 -0.41 0.03 0.00 -0.04 0.00 0.00 33.50 33.08 1y1c n PRO 2 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1y1c n ASP 3 N -3.33 6.52 -0.30 3.54 9.92 -1.26 -4.85 116.55 126.79 1y1c n ASP 3 Ca 0.05 -3.79 0.00 0.00 -0.53 0.00 0.00 54.79 50.52 1y1c n ASP 3 Cb 0.17 -0.82 0.05 0.00 -0.64 0.00 0.00 41.12 39.87 1y1c n ASP 3 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1y1c n ALA 4 N -0.58 -0.04 -0.78 2.24 0.00 -1.26 -4.32 120.51 115.76 1y1c n ALA 4 Ca 0.50 0.81 -0.31 0.00 0.00 0.00 0.00 53.44 54.44 1y1c n ALA 4 Cb 0.47 -0.38 -0.04 0.00 0.00 0.00 0.00 19.45 19.49 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 -5.19 0.00 -1.32 0.00 -0.02 -1.26 -0.57 135.00 126.63 1y1c n PRO 5 Ca 0.09 0.00 -0.27 0.00 -2.02 0.00 0.00 63.50 61.30 1y1c n PRO 5 Cb 0.33 -0.74 0.01 0.00 -0.02 0.00 0.00 33.50 33.08 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 0.21 -0.13 0.10 0.00 5.41 -1.26 -4.80 119.36 118.90 1y1c n ILE 7 Ca 0.46 -2.57 -0.23 0.00 1.00 0.00 0.00 62.75 61.40 1y1c n ILE 7 Cb 0.54 0.65 -0.15 0.00 -0.71 0.00 0.00 39.64 39.96 1y1c n ILE 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1y1c s THR 9 N -2.54 0.00 -0.72 0.00 -1.32 -1.26 -5.00 115.64 104.79 1y1c s THR 9 Ca -0.12 -0.09 0.09 0.00 -1.21 0.00 0.00 61.69 60.37 1y1c s THR 9 Cb 0.03 -1.22 0.50 0.00 -1.51 0.00 0.00 72.50 70.30 1y1c s THR 9 CO 0.89 0.00 1.29 0.23 -2.21 0.00 0.00 174.62 174.83 1y1c n MET 10 N -0.23 3.28 -0.76 7.08 2.81 -1.26 -4.64 117.12 123.40 1y1c n MET 10 Ca -0.04 -1.94 -0.21 0.00 -1.81 0.00 0.00 57.70 53.70 1y1c n MET 10 Cb 0.60 -1.90 -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 0.46 2.08 -0.09 0.03 7.27 -1.26 -4.82 117.38 121.04 1y1c n GLN 11 Ca 0.17 -1.39 -0.00 0.00 0.07 0.00 0.00 57.00 55.85 1y1c n GLN 11 Cb 0.79 -2.38 -0.01 0.00 2.41 0.00 0.00 30.24 31.05 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 3.93 0.00 -2.95 3.69 9.36 -1.26 -4.73 117.16 125.21 1y1c n TYR 12 Ca 0.44 0.00 -0.32 0.00 3.32 0.00 0.00 57.90 61.34 1y1c n TYR 12 Cb 0.20 -0.04 -0.03 0.00 -0.63 0.00 0.00 39.34 38.84 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 0.37 5.33 -4.54 2.98 2.03 0.24 -5.01 116.55 117.94 1y1c n ASP 13 Ca 0.02 -3.62 -0.24 0.00 0.52 0.00 0.00 54.79 51.47 1y1c n ASP 13 Cb 0.03 -0.81 -0.09 0.00 -0.72 0.00 0.00 41.12 39.53 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 0.13 0.58 -3.54 -0.67 -0.04 -0.92 -3.05 135.00 127.49 1y1c n PRO 14 Ca 0.35 -0.41 -0.37 0.00 -0.04 0.00 0.00 63.50 63.02 1y1c n PRO 14 Cb 0.35 -3.08 -0.08 0.00 -0.04 0.00 0.00 33.50 30.65 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 11.61 5.29 -0.28 0.52 -7.23 0.20 -1.13 120.40 129.38 1y1c s VAL 15 Ca 1.03 0.43 -0.29 0.00 -1.81 0.00 0.00 61.98 61.35 1y1c s VAL 15 Cb -0.34 -3.61 0.01 0.00 0.56 0.00 0.00 36.38 33.01 1y1c s VAL 15 CO 0.24 0.32 1.14 0.00 -0.31 0.00 0.00 175.10 176.48 1y1c s GLY 17 N 1.84 1.93 -0.83 0.00 0.00 0.25 -0.14 107.32 110.37 1y1c s GLY 17 Ca 0.49 -0.88 -0.23 0.00 0.00 0.00 0.00 44.72 44.10 1y1c s GLY 17 CO 0.15 -0.71 2.42 -1.26 0.00 0.00 0.00 173.10 173.70 1y1c n SER 18 N 1.54 0.65 0.00 1.64 2.88 0.16 -1.80 113.62 118.69 1y1c n SER 18 Ca -0.15 -0.56 0.00 0.00 -1.33 0.00 0.00 58.87 56.82 1y1c n SER 18 Cb 0.53 -1.15 0.00 0.00 -0.75 0.00 0.00 64.21 62.84 1y1c n SER 18 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 1y1c n ASP 19 N 12.37 0.00 0.00 -3.46 9.92 -1.26 -2.99 116.55 131.14 1y1c n ASP 19 Ca 0.55 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.81 1y1c n ASP 19 Cb 0.27 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.75 1y1c n ASP 19 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1y1c n GLY 20 N 0.00 1.60 2.89 0.44 0.00 -0.74 -5.12 105.19 104.26 1y1c n GLY 20 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.86 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 0.27 -0.63 -0.61 -1.09 -1.21 -5.01 121.20 110.92 1y1c s ILE 21 Ca 0.00 -0.08 -0.17 0.00 -2.23 0.00 0.00 60.65 58.17 1y1c s ILE 21 Cb 0.00 -0.27 0.13 0.00 -1.58 0.00 0.00 42.46 40.74 1y1c s ILE 21 CO 0.00 0.11 0.68 -0.89 -1.23 0.00 0.00 174.94 173.61 1y1c s THR 22 N 0.32 5.04 -0.08 2.92 2.01 -1.26 -0.58 115.64 124.00 1y1c s THR 22 Ca -0.03 -1.40 -0.30 0.00 0.31 0.00 0.00 61.69 60.27 1y1c s THR 22 Cb -0.06 -4.46 -0.02 0.00 0.01 0.00 0.00 72.50 67.97 1y1c s THR 22 CO -0.01 -1.06 1.00 -0.31 -0.69 0.00 0.00 174.62 173.55 1y1c s TYR 23 N 2.00 3.54 0.58 4.92 2.02 0.45 -4.72 117.35 126.15 1y1c s TYR 23 Ca 0.11 1.61 0.27 0.00 -0.37 0.00 0.00 57.07 58.69 1y1c s TYR 23 Cb -0.23 -3.17 0.93 0.00 -0.40 0.00 0.00 41.96 39.09 1y1c s TYR 23 CO 0.02 -0.18 1.26 0.41 -1.57 0.00 0.00 175.55 175.49 1y1c n GLY 24 N 3.06 -0.75 3.63 0.71 0.00 -1.26 0.58 105.19 111.15 1y1c n GLY 24 Ca 0.08 0.37 -0.04 0.00 0.00 0.00 0.00 46.02 46.43 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 -3.45 -0.12 0.60 1.61 2.20 -1.17 0.79 114.94 115.39 1y1c s ASN 25 Ca -0.03 0.13 0.28 0.00 -0.94 0.00 0.00 52.86 52.30 1y1c s ASN 25 Cb 0.14 0.10 1.20 0.00 -2.00 0.00 0.00 41.25 40.69 1y1c s ASN 25 CO 0.48 -0.11 1.60 0.00 -2.94 0.00 0.00 177.10 176.12 1y1c h ALA 26 N 2.17 2.55 0.05 3.54 0.00 -1.79 0.61 119.26 126.40 1y1c h ALA 26 Ca -0.10 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.78 1y1c h ALA 26 Cb 1.18 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1y1c h ALA 26 CO 0.24 -1.23 -0.02 0.00 0.00 0.00 0.00 179.25 178.24 1y1c h MET 28 N -0.89 0.28 0.01 0.00 2.86 -0.12 1.89 114.93 118.95 1y1c h MET 28 Ca -0.01 -0.02 0.03 0.00 -2.06 0.00 0.00 59.70 57.65 1y1c h MET 28 Cb 0.64 -0.06 -0.05 0.00 0.06 0.00 0.00 31.60 32.19 1y1c h MET 28 CO 0.01 0.18 -0.27 1.25 1.06 0.00 0.00 176.91 179.15 1y1c h LEU 29 N 0.29 -0.80 -1.62 1.22 6.46 -0.77 0.63 115.31 120.72 1y1c h LEU 29 Ca 0.69 0.11 0.29 0.00 -0.12 0.00 0.00 57.88 58.85 1y1c h LEU 29 Cb 1.54 0.32 -0.07 0.00 -0.73 0.00 0.00 40.66 41.72 1y1c h LEU 29 CO -0.63 -0.34 0.72 -0.07 -0.62 0.00 0.00 178.44 177.51 1y1c h LEU 30 N -0.42 0.27 -0.40 2.25 3.38 0.40 2.72 115.31 123.51 1y1c h LEU 30 Ca 0.06 0.05 -0.18 0.00 0.09 0.00 0.00 57.88 57.90 1y1c h LEU 30 Cb 0.50 0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.24 1y1c h LEU 30 CO -0.23 0.05 -0.79 0.00 0.09 0.00 0.00 178.44 177.56 1y1c h ALA 32 N 1.05 -0.85 0.00 0.00 0.00 0.96 -0.35 119.26 120.07 1y1c h ALA 32 Ca -0.03 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.67 1y1c h ALA 32 Cb 1.38 0.33 0.00 0.00 0.00 0.00 0.00 17.79 19.50 1y1c h ALA 32 CO 0.12 -0.91 0.00 1.03 0.00 0.00 0.00 179.25 179.49 1y1c h SER 33 N -0.99 0.00 0.89 0.00 0.87 -0.40 0.93 113.55 114.87 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 0.69 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.65 1y1c h SER 33 CO 0.14 0.00 -0.65 0.00 -0.53 0.00 0.00 176.83 175.80 1y1c h ALA 34 N 2.02 0.58 0.00 6.23 0.00 -0.61 -3.39 119.26 124.09 1y1c h ALA 34 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1y1c h ALA 34 Cb 0.08 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1y1c h ALA 34 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 179.25 182.14 1y1c n ARG 35 N -2.17 -0.08 0.00 0.00 1.85 -0.22 -5.01 116.66 111.03 1y1c n ARG 35 Ca 0.03 -0.19 0.00 0.00 -1.00 0.00 0.00 57.85 56.69 1y1c n ARG 35 Cb 0.45 -0.60 0.00 0.00 -1.05 0.00 0.00 32.46 31.26 1y1c n ARG 35 CO 0.00 0.00 0.00 0.45 -0.01 0.00 0.00 177.63 178.07 1y1c n SER 36 N -0.01 0.00 0.00 2.89 2.88 0.31 -5.04 113.62 114.64 1y1c n SER 36 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1y1c n SER 36 Cb 0.24 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.70 1y1c n SER 36 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 1y1c n ASP 37 N 0.00 0.00 -4.47 -3.46 2.03 -1.26 -5.07 116.55 104.32 1y1c n ASP 37 Ca 0.00 0.00 -0.29 0.00 0.52 0.00 0.00 54.79 55.02 1y1c n ASP 37 Cb 0.00 0.00 -0.11 0.00 -0.72 0.00 0.00 41.12 40.29 1y1c n ASP 37 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 1y1c s THR 38 N 0.00 2.69 -1.12 5.18 2.01 -1.26 -5.07 115.64 118.08 1y1c s THR 38 Ca 0.00 -1.67 -0.21 0.00 0.31 0.00 0.00 61.69 60.12 1y1c s THR 38 Cb 0.00 -2.25 0.06 0.00 0.01 0.00 0.00 72.50 70.32 1y1c s THR 38 CO 0.00 0.03 1.55 -2.16 -0.69 0.00 0.00 174.62 173.35 1y1c s PRO 39 N -2.31 3.73 0.77 4.92 0.04 -1.26 -4.63 135.00 136.26 1y1c s PRO 39 Ca 0.19 -1.44 -0.16 0.00 0.04 0.00 0.00 61.00 59.63 1y1c s PRO 39 Cb -0.10 -5.42 -0.06 0.00 0.04 0.00 0.00 34.50 28.97 1y1c s PRO 39 CO 0.10 -2.22 0.24 0.44 0.04 0.00 0.00 177.00 175.60 1y1c n ILE 40 N 6.70 1.01 -3.64 0.56 -0.00 -1.26 -4.98 119.36 117.75 1y1c n ILE 40 Ca 0.38 -0.39 -0.29 0.00 -0.00 0.00 0.00 62.75 62.45 1y1c n ILE 40 Cb 0.49 -0.52 -0.14 0.00 -0.00 0.00 0.00 39.64 39.47 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 -2.59 0.64 0.20 6.28 2.02 -1.16 -4.84 118.70 119.25 1y1c s GLU 41 Ca 0.59 -1.11 -0.10 0.00 0.02 0.00 0.00 54.97 54.37 1y1c s GLU 41 Cb -0.32 -1.71 -0.07 0.00 0.10 0.00 0.00 34.13 32.13 1y1c s GLU 41 CO 0.64 -1.06 0.02 1.28 0.02 0.00 0.00 175.26 176.16 1y1c n LEU 42 N 4.62 -1.40 0.00 1.80 7.99 -1.26 0.41 117.00 129.16 1y1c n LEU 42 Ca 0.01 0.36 0.00 0.00 -0.01 0.00 0.00 56.01 56.37 1y1c n LEU 42 Cb 0.40 -0.41 0.00 0.00 -0.11 0.00 0.00 43.42 43.30 1y1c n LEU 42 CO 0.12 -2.00 -0.11 0.52 -1.51 0.00 0.00 177.39 174.41 1y1c n VAL 43 N -0.51 0.00 -3.66 4.08 0.31 0.81 -4.39 118.33 114.96 1y1c n VAL 43 Ca 0.05 0.00 -0.08 0.00 -0.01 0.00 0.00 64.34 64.30 1y1c n VAL 43 Cb 0.19 -0.20 -0.09 0.00 -0.91 0.00 0.00 33.84 32.83 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 -1.34 -0.86 -0.77 3.52 0.00 -0.84 -5.02 115.29 109.98 1y1c s HIS 44 Ca 0.00 1.63 -0.18 0.00 -3.00 0.00 0.00 55.06 53.51 1y1c s HIS 44 Cb 0.00 0.38 -0.13 0.00 -4.00 0.00 0.00 32.58 28.82 1y1c s HIS 44 CO 0.00 -0.49 1.94 0.36 -1.00 0.00 0.00 174.74 175.55 1y1c n LYS 45 N 5.26 1.58 -3.05 -0.38 2.85 -1.26 0.68 118.16 123.84 1y1c n LYS 45 Ca -0.11 -1.70 0.00 0.00 -1.05 0.00 0.00 58.31 55.45 1y1c n LYS 45 Cb 0.50 -2.77 0.00 0.00 -0.65 0.00 0.00 35.03 32.11 1y1c n LYS 45 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1y1c n GLY 46 N 4.34 -0.92 2.37 2.58 0.00 -0.29 -4.79 105.19 108.48 1y1c n GLY 46 Ca 0.47 -0.72 -0.34 0.00 0.00 0.00 0.00 46.02 45.42 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 3.69 0.00 1.61 1.74 -1.25 -2.29 116.66 120.16 1y1c n ARG 47 Ca 0.00 -2.60 0.00 0.00 -0.77 0.00 0.00 57.85 54.48 1y1c n ARG 47 Cb 0.00 -2.54 0.00 0.00 -1.02 0.00 0.00 32.46 28.90 1y1c n ARG 47 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11