#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 -0.19 -1.06 1.97 -0.04 -1.26 -4.89 135.00 129.54 1y1c n PRO 2 Ca 0.00 0.00 -0.40 0.00 -0.04 0.00 0.00 63.50 63.06 1y1c n PRO 2 Cb 0.00 0.00 -0.04 0.00 -0.04 0.00 0.00 33.50 33.42 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 -2.11 -0.37 -4.21 3.54 9.92 -1.26 -4.91 116.55 117.15 1y1c n ASP 3 Ca 0.00 0.83 -0.36 0.00 -0.53 0.00 0.00 54.79 54.73 1y1c n ASP 3 Cb 0.00 -0.67 -0.13 0.00 -0.64 0.00 0.00 41.12 39.67 1y1c n ASP 3 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1y1c s ALA 4 N -0.29 2.90 -0.44 2.24 0.00 -1.26 -5.05 121.76 119.85 1y1c s ALA 4 Ca 0.58 -1.74 -0.43 0.00 0.00 0.00 0.00 51.96 50.38 1y1c s ALA 4 Cb -0.82 -2.06 -0.18 0.00 0.00 0.00 0.00 23.12 20.06 1y1c s ALA 4 CO 0.41 -1.27 1.44 -2.30 0.00 0.00 0.00 175.76 174.04 1y1c n PRO 5 N 4.70 0.00 -2.57 0.00 -0.02 -1.26 -4.12 135.00 131.73 1y1c n PRO 5 Ca -0.13 0.00 -0.43 0.00 -2.02 0.00 0.00 63.50 60.92 1y1c n PRO 5 Cb 0.44 -1.36 0.00 0.00 -0.02 0.00 0.00 33.50 32.56 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 5.18 1.60 0.11 0.00 2.08 -1.26 -4.43 119.36 122.63 1y1c n ILE 7 Ca 0.44 -4.21 -0.17 0.00 0.56 0.00 0.00 62.75 59.37 1y1c n ILE 7 Cb 0.43 -0.39 -0.13 0.00 -0.75 0.00 0.00 39.64 38.80 1y1c n ILE 7 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1y1c s THR 9 N -2.72 0.00 -0.43 0.00 -1.32 -1.26 -5.02 115.64 104.89 1y1c s THR 9 Ca -0.05 0.00 0.10 0.00 -1.21 0.00 0.00 61.69 60.53 1y1c s THR 9 Cb 0.07 -1.00 0.61 0.00 -1.51 0.00 0.00 72.50 70.67 1y1c s THR 9 CO 0.89 0.00 1.45 0.23 -2.21 0.00 0.00 174.62 174.98 1y1c n MET 10 N 2.32 3.80 0.00 7.08 2.81 -1.26 -4.70 117.12 127.17 1y1c n MET 10 Ca -0.13 -2.35 0.00 0.00 -1.81 0.00 0.00 57.70 53.41 1y1c n MET 10 Cb 0.56 -2.07 0.00 0.00 -0.71 0.00 0.00 33.22 31.01 1y1c n MET 10 CO 0.00 0.00 0.00 1.04 1.51 0.00 0.00 175.97 178.52 1y1c n GLN 11 N 0.39 0.00 0.00 0.03 1.13 -1.26 -5.08 117.38 112.59 1y1c n GLN 11 Ca 0.22 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.28 1y1c n GLN 11 Cb 0.99 0.00 0.00 0.00 0.11 0.00 0.00 30.24 31.34 1y1c n GLN 11 CO 0.00 0.00 0.00 0.98 -1.44 0.00 0.00 177.06 176.60 1y1c n TYR 12 N 0.00 0.00 -2.99 1.08 9.36 -1.26 -5.06 117.16 118.28 1y1c n TYR 12 Ca 0.00 0.00 -0.34 0.00 3.32 0.00 0.00 57.90 60.88 1y1c n TYR 12 Cb 0.00 0.00 -0.02 0.00 -0.63 0.00 0.00 39.34 38.69 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 0.00 5.43 -4.55 2.98 2.03 0.29 -5.01 116.55 117.72 1y1c n ASP 13 Ca 0.00 -3.58 -0.21 0.00 0.52 0.00 0.00 54.79 51.53 1y1c n ASP 13 Cb 0.00 -0.88 -0.08 0.00 -0.72 0.00 0.00 41.12 39.44 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 0.36 0.57 -3.44 -0.67 -0.04 -0.86 -3.08 135.00 127.85 1y1c n PRO 14 Ca 0.34 -0.52 -0.38 0.00 -0.04 0.00 0.00 63.50 62.90 1y1c n PRO 14 Cb 0.35 -3.22 -0.07 0.00 -0.04 0.00 0.00 33.50 30.52 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 12.24 5.23 -0.27 0.52 -7.23 0.30 -1.74 120.40 129.45 1y1c s VAL 15 Ca 1.01 0.64 -0.29 0.00 -1.81 0.00 0.00 61.98 61.53 1y1c s VAL 15 Cb -0.28 -3.69 0.00 0.00 0.56 0.00 0.00 36.38 32.97 1y1c s VAL 15 CO 0.20 0.29 1.17 0.00 -0.31 0.00 0.00 175.10 176.45 1y1c s GLY 17 N 1.96 2.02 -0.84 0.00 0.00 0.24 0.01 107.32 110.71 1y1c s GLY 17 Ca 0.50 -0.75 -0.23 0.00 0.00 0.00 0.00 44.72 44.24 1y1c s GLY 17 CO 0.16 -0.52 2.43 1.44 0.00 0.00 0.00 173.10 176.61 1y1c n SER 18 N 1.87 0.63 0.00 1.64 7.64 0.27 -1.92 113.62 123.75 1y1c n SER 18 Ca -0.18 -0.52 0.00 0.00 1.01 0.00 0.00 58.87 59.18 1y1c n SER 18 Cb 0.54 -1.13 0.00 0.00 -1.01 0.00 0.00 64.21 62.61 1y1c n SER 18 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1y1c n ASP 19 N 12.23 0.00 0.00 6.43 9.92 -1.26 -2.92 116.55 140.94 1y1c n ASP 19 Ca 0.56 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.82 1y1c n ASP 19 Cb 0.26 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.74 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 1.93 3.04 0.44 0.00 -0.81 -5.12 105.19 104.67 1y1c n GLY 20 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.82 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 0.84 -0.56 -0.61 -1.09 -1.21 -5.01 121.20 111.56 1y1c s ILE 21 Ca 0.00 -0.44 -0.16 0.00 -2.23 0.00 0.00 60.65 57.82 1y1c s ILE 21 Cb 0.00 -0.71 0.13 0.00 -1.58 0.00 0.00 42.46 40.30 1y1c s ILE 21 CO 0.00 0.24 0.52 -0.89 -1.23 0.00 0.00 174.94 173.59 1y1c s THR 22 N -0.14 5.21 -0.18 2.92 2.01 -1.26 -0.59 115.64 123.61 1y1c s THR 22 Ca 0.02 -1.53 -0.26 0.00 0.31 0.00 0.00 61.69 60.24 1y1c s THR 22 Cb -0.05 -4.35 -0.01 0.00 0.01 0.00 0.00 72.50 68.09 1y1c s THR 22 CO -0.00 -0.89 0.87 -0.31 -0.69 0.00 0.00 174.62 173.59 1y1c s TYR 23 N 1.57 3.40 0.62 4.92 2.02 0.28 -4.75 117.35 125.42 1y1c s TYR 23 Ca 0.04 1.29 0.23 0.00 -0.37 0.00 0.00 57.07 58.25 1y1c s TYR 23 Cb -0.29 -3.06 0.87 0.00 -0.40 0.00 0.00 41.96 39.08 1y1c s TYR 23 CO 0.03 -0.29 1.36 0.78 -1.57 0.00 0.00 175.55 175.86 1y1c h GLY 24 N 8.53 0.00 -4.82 0.71 0.00 -1.86 0.87 103.07 106.50 1y1c h GLY 24 Ca -0.27 0.00 0.09 0.00 0.00 0.00 0.00 47.33 47.15 1y1c h GLY 24 CO 0.86 0.00 0.57 0.54 0.00 0.00 0.00 176.54 178.51 1y1c s ASN 25 N -3.65 -0.35 0.60 0.19 2.20 -1.18 0.10 114.94 112.86 1y1c s ASN 25 Ca -0.02 0.49 0.28 0.00 -0.94 0.00 0.00 52.86 52.67 1y1c s ASN 25 Cb 0.12 0.43 1.27 0.00 -2.00 0.00 0.00 41.25 41.06 1y1c s ASN 25 CO 0.39 -0.25 1.65 0.00 -2.94 0.00 0.00 177.10 175.95 1y1c h ALA 26 N 3.01 2.51 0.07 3.54 0.00 -1.78 0.52 119.26 127.13 1y1c h ALA 26 Ca -0.21 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.67 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 -0.04 0.00 0.00 0.00 0.00 179.25 178.29 1y1c h MET 28 N -0.95 0.12 0.40 0.00 2.86 -0.34 2.55 114.93 119.57 1y1c h MET 28 Ca -0.01 -0.01 -0.02 0.00 -2.06 0.00 0.00 59.70 57.61 1y1c h MET 28 Cb 0.52 -0.03 -0.00 0.00 0.06 0.00 0.00 31.60 32.15 1y1c h MET 28 CO 0.02 0.08 -0.22 1.25 1.06 0.00 0.00 176.91 179.10 1y1c h LEU 29 N 0.12 -0.53 -1.96 1.22 6.46 -0.56 0.56 115.31 120.61 1y1c h LEU 29 Ca 0.70 0.03 0.30 0.00 -0.12 0.00 0.00 57.88 58.78 1y1c h LEU 29 Cb 2.37 0.15 -0.04 0.00 -0.73 0.00 0.00 40.66 42.41 1y1c h LEU 29 CO -0.20 -0.36 0.77 -0.07 -0.62 0.00 0.00 178.44 177.97 1y1c h LEU 30 N -0.58 0.00 -0.01 2.25 3.38 0.50 2.95 115.31 123.81 1y1c h LEU 30 Ca -0.05 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.70 1y1c h LEU 30 Cb 0.46 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.19 1y1c h LEU 30 CO 0.07 0.00 -1.03 0.00 0.09 0.00 0.00 178.44 177.56 1y1c h ALA 32 N 0.92 -0.66 -0.62 0.00 0.00 0.99 0.41 119.26 120.30 1y1c h ALA 32 Ca -0.04 -0.17 0.12 0.00 0.00 0.00 0.00 54.91 54.82 1y1c h ALA 32 Cb 1.78 0.26 -0.04 0.00 0.00 0.00 0.00 17.79 19.79 1y1c h ALA 32 CO 0.14 -0.65 0.42 0.77 0.00 0.00 0.00 179.25 179.94 1y1c h SER 33 N -1.11 0.29 0.14 0.00 0.02 0.06 0.46 113.55 113.41 1y1c h SER 33 Ca -0.07 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.89 1y1c h SER 33 Cb 0.56 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 63.06 1y1c h SER 33 CO 0.11 0.17 -0.16 0.00 -1.14 0.00 0.00 176.83 175.80 1y1c n ALA 34 N -2.55 2.89 -0.12 3.77 0.00 -0.96 -4.02 120.51 119.53 1y1c n ALA 34 Ca 0.11 -0.43 -0.25 0.00 0.00 0.00 0.00 53.44 52.87 1y1c n ALA 34 Cb 0.46 -1.14 -0.10 0.00 0.00 0.00 0.00 19.45 18.68 1y1c n ALA 34 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1y1c n ARG 35 N -0.31 0.57 0.00 0.00 1.74 0.14 -4.85 116.66 113.96 1y1c n ARG 35 Ca 0.15 0.36 0.00 0.00 -0.77 0.00 0.00 57.85 57.59 1y1c n ARG 35 Cb 0.36 -1.57 0.00 0.00 -1.02 0.00 0.00 32.46 30.22 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 -4.33 0.00 0.00 0.55 2.88 -0.06 -5.06 113.62 107.60 1y1c n SER 36 Ca -0.43 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.11 1y1c n SER 36 Cb 0.78 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.24 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 -4.61 -3.46 5.68 -1.26 -5.06 116.55 107.84 1y1c n ASP 37 Ca 0.00 0.00 -0.43 0.00 -0.50 0.00 0.00 54.79 53.86 1y1c n ASP 37 Cb 0.00 0.00 -0.02 0.00 -1.14 0.00 0.00 41.12 39.96 1y1c n ASP 37 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 1y1c s THR 38 N 0.00 4.22 -0.71 2.12 2.01 -1.26 -4.94 115.64 117.07 1y1c s THR 38 Ca 0.00 1.28 -0.25 0.00 0.31 0.00 0.00 61.69 63.03 1y1c s THR 38 Cb 0.00 -4.50 -0.13 0.00 0.01 0.00 0.00 72.50 67.88 1y1c s THR 38 CO 0.00 -0.86 2.41 -2.65 -0.69 0.00 0.00 174.62 172.83 1y1c n PRO 39 N 7.68 0.66 -1.50 4.92 -0.02 -1.26 -4.77 135.00 140.71 1y1c n PRO 39 Ca 0.13 -0.48 -0.32 0.00 -2.02 0.00 0.00 63.50 60.80 1y1c n PRO 39 Cb 0.48 -3.35 0.07 0.00 -0.02 0.00 0.00 33.50 30.68 1y1c n PRO 39 CO 0.00 0.00 0.00 0.96 1.98 0.00 0.00 175.50 178.44 1y1c s ILE 40 N 12.80 3.25 -0.25 4.25 -0.00 -1.26 -5.03 121.20 134.96 1y1c s ILE 40 Ca 0.99 0.49 -0.04 0.00 -0.00 0.00 0.00 60.65 62.09 1y1c s ILE 40 Cb -0.24 -2.99 0.09 0.00 -0.00 0.00 0.00 42.46 39.32 1y1c s ILE 40 CO 0.19 -0.45 0.14 -1.61 -0.00 0.00 0.00 174.94 173.21 1y1c s GLU 41 N -4.49 0.16 0.17 0.37 2.02 -1.15 -4.86 118.70 110.92 1y1c s GLU 41 Ca 0.64 -0.32 -0.09 0.00 0.02 0.00 0.00 54.97 55.22 1y1c s GLU 41 Cb -0.19 -1.31 -0.06 0.00 0.10 0.00 0.00 34.13 32.67 1y1c s GLU 41 CO 0.49 -0.90 0.03 1.28 0.02 0.00 0.00 175.26 176.18 1y1c n LEU 42 N 5.27 -1.22 0.00 1.80 7.99 -1.26 0.94 117.00 130.52 1y1c n LEU 42 Ca -0.06 0.33 0.00 0.00 -0.01 0.00 0.00 56.01 56.27 1y1c n LEU 42 Cb 0.45 -0.36 0.00 0.00 -0.11 0.00 0.00 43.42 43.40 1y1c n LEU 42 CO 0.06 -1.75 -0.02 0.55 -1.51 0.00 0.00 177.39 174.72 1y1c n VAL 43 N -0.44 0.00 -3.67 4.08 3.14 0.10 -4.30 118.33 117.25 1y1c n VAL 43 Ca 0.04 0.00 -0.09 0.00 -2.96 0.00 0.00 64.34 61.33 1y1c n VAL 43 Cb 0.17 -0.02 -0.10 0.00 -1.06 0.00 0.00 33.84 32.83 1y1c n VAL 43 CO 0.00 0.00 0.00 -1.38 -6.46 0.00 0.00 176.83 168.99 1y1c s HIS 44 N -1.03 -0.72 -0.88 1.45 0.00 -0.68 -5.02 115.29 108.41 1y1c s HIS 44 Ca 0.00 1.43 -0.13 0.00 -3.00 0.00 0.00 55.06 53.36 1y1c s HIS 44 Cb 0.00 0.28 -0.09 0.00 -4.00 0.00 0.00 32.58 28.77 1y1c s HIS 44 CO 0.00 -0.43 2.04 1.63 -1.00 0.00 0.00 174.74 176.98 1y1c n LYS 45 N 5.02 1.88 -0.06 -0.38 5.02 -1.26 0.87 118.16 129.25 1y1c n LYS 45 Ca -0.13 -1.68 0.00 0.00 -2.02 0.00 0.00 58.31 54.48 1y1c n LYS 45 Cb 0.51 -2.69 0.00 0.00 -0.02 0.00 0.00 35.03 32.83 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 4.11 0.76 2.47 0.72 0.00 -0.71 -4.80 105.19 107.74 1y1c n GLY 46 Ca 0.47 -0.60 -0.32 0.00 0.00 0.00 0.00 46.02 45.57 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 3.32 -0.10 1.61 1.74 -1.25 -2.10 116.66 119.88 1y1c n ARG 47 Ca 0.00 -2.77 0.00 0.00 -0.77 0.00 0.00 57.85 54.31 1y1c n ARG 47 Cb 0.00 -2.35 0.00 0.00 -1.02 0.00 0.00 32.46 29.09 1y1c n ARG 47 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11