#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 0.87 -2.53 1.97 -0.02 -1.26 -4.80 135.00 129.23 1y1c n PRO 2 Ca 0.00 0.00 -0.43 0.00 -2.02 0.00 0.00 63.50 61.05 1y1c n PRO 2 Cb 0.00 0.00 -0.02 0.00 -0.02 0.00 0.00 33.50 33.46 1y1c n PRO 2 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1y1c s ASP 3 N -2.07 6.49 0.04 2.55 1.11 -1.26 -4.58 116.67 118.95 1y1c s ASP 3 Ca 0.00 0.45 0.00 0.00 0.18 0.00 0.00 52.55 53.18 1y1c s ASP 3 Cb 0.00 -2.55 0.00 0.00 1.07 0.00 0.00 42.92 41.44 1y1c s ASP 3 CO 0.00 -1.38 0.00 0.00 1.18 0.00 0.00 175.17 174.97 1y1c n ALA 4 N 8.32 0.02 -0.59 5.23 0.00 -1.26 -4.83 120.51 127.40 1y1c n ALA 4 Ca 0.12 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.36 1y1c n ALA 4 Cb 0.49 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.93 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 -2.59 0.00 -2.10 0.00 -0.02 -1.26 0.02 135.00 129.05 1y1c n PRO 5 Ca 0.00 0.00 -0.38 0.00 -2.02 0.00 0.00 63.50 61.10 1y1c n PRO 5 Cb 0.00 -0.43 0.01 0.00 -0.02 0.00 0.00 33.50 33.05 1y1c n PRO 5 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1y1c s ILE 7 N -3.56 -0.27 -0.11 0.00 -1.09 -1.26 -4.83 121.20 110.07 1y1c s ILE 7 Ca 0.49 -1.32 0.01 0.00 -2.23 0.00 0.00 60.65 57.60 1y1c s ILE 7 Cb 0.30 -0.71 -0.07 0.00 -1.58 0.00 0.00 42.46 40.40 1y1c s ILE 7 CO -0.22 -0.65 -0.10 0.00 -1.23 0.00 0.00 174.94 172.74 1y1c n THR 9 N -2.83 0.00 -1.14 0.00 5.66 -1.26 -5.02 114.28 109.70 1y1c n THR 9 Ca -0.19 0.00 0.06 0.00 -3.05 0.00 0.00 64.05 60.86 1y1c n THR 9 Cb 0.71 0.00 0.08 0.00 -1.55 0.00 0.00 70.33 69.56 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 1.14 -0.64 1.09 2.81 -1.26 -4.90 117.12 115.37 1y1c n MET 10 Ca 0.00 -1.92 -0.19 0.00 -1.81 0.00 0.00 57.70 53.78 1y1c n MET 10 Cb 0.00 -1.13 -0.02 0.00 -0.71 0.00 0.00 33.22 31.36 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 -0.88 1.79 -0.29 0.03 7.27 -1.26 -4.82 117.38 119.22 1y1c n GLN 11 Ca 0.09 -1.30 -0.03 0.00 0.07 0.00 0.00 57.00 55.84 1y1c n GLN 11 Cb 0.59 -2.36 -0.03 0.00 2.41 0.00 0.00 30.24 30.85 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 4.23 0.00 -3.03 3.69 4.19 -1.26 -4.73 117.16 120.24 1y1c n TYR 12 Ca 0.38 0.00 -0.27 0.00 3.31 0.00 0.00 57.90 61.32 1y1c n TYR 12 Cb 0.13 -0.11 -0.05 0.00 0.49 0.00 0.00 39.34 39.80 1y1c n TYR 12 CO 0.00 0.00 0.00 -3.47 0.91 0.00 0.00 176.86 174.30 1y1c n ASP 13 N 1.15 4.23 -4.54 2.98 2.03 0.23 -5.02 116.55 117.61 1y1c n ASP 13 Ca 0.08 -3.62 -0.18 0.00 0.52 0.00 0.00 54.79 51.59 1y1c n ASP 13 Cb 0.07 -0.58 -0.12 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 -0.03 0.39 -3.32 -0.67 -0.04 -0.91 -3.27 135.00 127.16 1y1c n PRO 14 Ca 0.31 -0.51 -0.39 0.00 -0.04 0.00 0.00 63.50 62.86 1y1c n PRO 14 Cb 0.40 -2.77 -0.07 0.00 -0.04 0.00 0.00 33.50 31.02 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 9.89 5.15 -0.28 0.52 -7.23 0.28 -0.47 120.40 128.26 1y1c s VAL 15 Ca 1.07 0.81 -0.29 0.00 -1.81 0.00 0.00 61.98 61.76 1y1c s VAL 15 Cb -0.39 -3.78 0.01 0.00 0.56 0.00 0.00 36.38 32.77 1y1c s VAL 15 CO 0.26 0.20 1.17 0.00 -0.31 0.00 0.00 175.10 176.42 1y1c s GLY 17 N 2.02 1.94 -0.85 0.00 0.00 0.39 -0.16 107.32 110.66 1y1c s GLY 17 Ca 0.50 -0.81 -0.22 0.00 0.00 0.00 0.00 44.72 44.19 1y1c s GLY 17 CO 0.17 -0.61 2.41 -1.26 0.00 0.00 0.00 173.10 173.81 1y1c n SER 18 N 1.80 0.51 0.00 1.64 2.88 0.16 -1.83 113.62 118.78 1y1c n SER 18 Ca -0.17 -0.56 0.00 0.00 -1.33 0.00 0.00 58.87 56.81 1y1c n SER 18 Cb 0.53 -1.11 0.00 0.00 -0.75 0.00 0.00 64.21 62.89 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 11.98 0.00 0.00 -3.46 -0.08 -1.26 -3.01 116.55 120.72 1y1c n ASP 19 Ca 0.56 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.84 1y1c n ASP 19 Cb 0.26 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.72 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 1.84 2.96 0.27 0.00 -0.76 -5.12 105.19 104.38 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 0.45 -0.57 -0.61 -1.09 -1.21 -5.01 121.20 111.16 1y1c s ILE 21 Ca 0.00 -0.24 -0.16 0.00 -2.23 0.00 0.00 60.65 58.02 1y1c s ILE 21 Cb 0.00 -0.38 0.13 0.00 -1.58 0.00 0.00 42.46 40.63 1y1c s ILE 21 CO 0.00 0.13 0.55 -0.89 -1.23 0.00 0.00 174.94 173.50 1y1c s THR 22 N -0.11 5.18 -0.15 2.92 2.01 -1.26 -0.46 115.64 123.77 1y1c s THR 22 Ca 0.02 -1.49 -0.27 0.00 0.31 0.00 0.00 61.69 60.26 1y1c s THR 22 Cb -0.03 -4.37 -0.01 0.00 0.01 0.00 0.00 72.50 68.10 1y1c s THR 22 CO -0.00 -0.92 0.92 -0.31 -0.69 0.00 0.00 174.62 173.62 1y1c s TYR 23 N 1.68 3.45 0.57 4.92 2.02 0.70 -4.71 117.35 125.98 1y1c s TYR 23 Ca 0.05 1.42 0.27 0.00 -0.37 0.00 0.00 57.07 58.44 1y1c s TYR 23 Cb -0.28 -3.11 0.92 0.00 -0.40 0.00 0.00 41.96 39.09 1y1c s TYR 23 CO 0.03 -0.26 1.24 0.41 -1.57 0.00 0.00 175.55 175.40 1y1c n GLY 24 N 3.29 -0.73 3.62 0.71 0.00 -1.26 0.10 105.19 110.91 1y1c n GLY 24 Ca 0.07 0.37 -0.04 0.00 0.00 0.00 0.00 46.02 46.41 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 -0.13 0.61 1.61 2.20 -1.20 0.77 114.94 115.35 1y1c s ASN 25 Ca -0.03 0.10 0.26 0.00 -0.94 0.00 0.00 52.86 52.26 1y1c s ASN 25 Cb 0.14 0.12 1.17 0.00 -2.00 0.00 0.00 41.25 40.68 1y1c s ASN 25 CO 0.47 -0.15 1.61 0.00 -2.94 0.00 0.00 177.10 176.09 1y1c h ALA 26 N 2.14 2.36 0.01 3.54 0.00 -1.79 0.55 119.26 126.08 1y1c h ALA 26 Ca -0.10 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.79 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 0.24 -1.08 -0.00 0.00 0.00 0.00 0.00 179.25 178.40 1y1c h MET 28 N -0.97 0.32 0.06 0.00 2.86 -0.33 2.15 114.93 119.01 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 0.80 -0.07 -0.03 0.00 0.06 0.00 0.00 31.60 32.35 1y1c h MET 28 CO 0.00 0.21 -0.19 1.25 1.06 0.00 0.00 176.91 179.24 1y1c h LEU 29 N 0.33 -0.55 -1.89 1.22 6.46 -0.68 0.36 115.31 120.56 1y1c h LEU 29 Ca 0.71 0.07 0.32 0.00 -0.12 0.00 0.00 57.88 58.86 1y1c h LEU 29 Cb 1.74 0.22 -0.05 0.00 -0.73 0.00 0.00 40.66 41.83 1y1c h LEU 29 CO -0.50 -0.26 0.79 -0.07 -0.62 0.00 0.00 178.44 177.78 1y1c h LEU 30 N -0.34 0.08 -0.11 2.25 3.38 0.43 2.74 115.31 123.74 1y1c h LEU 30 Ca 0.04 0.02 -0.21 0.00 0.09 0.00 0.00 57.88 57.81 1y1c h LEU 30 Cb 0.38 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.12 1y1c h LEU 30 CO -0.14 0.01 -0.98 0.00 0.09 0.00 0.00 178.44 177.42 1y1c h ALA 32 N 0.96 -0.67 0.00 0.00 0.00 0.77 0.25 119.26 120.56 1y1c h ALA 32 Ca -0.04 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.68 1y1c h ALA 32 Cb 1.69 0.26 0.00 0.00 0.00 0.00 0.00 17.79 19.74 1y1c h ALA 32 CO 0.14 -0.75 0.00 0.77 0.00 0.00 0.00 179.25 179.41 1y1c h SER 33 N -0.93 0.00 0.90 0.00 0.02 -0.41 0.16 113.55 113.29 1y1c h SER 33 Ca -0.07 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.88 1y1c h SER 33 Cb 0.60 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.14 1y1c h SER 33 CO 0.11 0.00 -1.06 0.00 -1.14 0.00 0.00 176.83 174.74 1y1c n ALA 34 N -1.88 2.58 -0.03 3.77 0.00 -0.50 -4.23 120.51 120.21 1y1c n ALA 34 Ca 0.01 -0.26 0.00 0.00 0.00 0.00 0.00 53.44 53.19 1y1c n ALA 34 Cb 0.20 -1.08 0.00 0.00 0.00 0.00 0.00 19.45 18.57 1y1c n ALA 34 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 1y1c n ARG 35 N -2.60 0.57 0.00 0.00 -4.01 0.83 -4.99 116.66 106.45 1y1c n ARG 35 Ca -0.00 -0.87 0.00 0.00 -1.04 0.00 0.00 57.85 55.93 1y1c n ARG 35 Cb 0.54 -0.98 0.00 0.00 -3.04 0.00 0.00 32.46 28.98 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 -0.19 0.00 0.00 2.89 2.88 0.51 -5.03 113.62 114.68 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 0.11 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.57 1y1c n SER 36 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 1y1c n ASP 37 N 0.00 0.00 -3.64 -3.46 8.00 -1.26 -5.05 116.55 111.14 1y1c n ASP 37 Ca 0.00 0.00 -0.05 0.00 0.71 0.00 0.00 54.79 55.45 1y1c n ASP 37 Cb 0.00 0.00 -0.06 0.00 -0.02 0.00 0.00 41.12 41.04 1y1c n ASP 37 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 1y1c s THR 38 N 0.00 -0.31 -0.93 -3.53 -1.32 -1.26 -5.09 115.64 103.19 1y1c s THR 38 Ca 0.00 0.00 -0.25 0.00 -1.21 0.00 0.00 61.69 60.23 1y1c s THR 38 Cb 0.00 -1.00 -0.07 0.00 -1.51 0.00 0.00 72.50 69.92 1y1c s THR 38 CO 0.00 0.00 2.02 -2.16 -2.21 0.00 0.00 174.62 172.27 1y1c s PRO 39 N 2.02 2.36 0.77 7.08 0.04 -1.26 -4.67 135.00 141.35 1y1c s PRO 39 Ca -0.09 -0.30 -0.15 0.00 0.04 0.00 0.00 61.00 60.50 1y1c s PRO 39 Cb -0.07 -5.04 -0.01 0.00 0.04 0.00 0.00 34.50 29.42 1y1c s PRO 39 CO -0.19 -3.69 0.64 0.44 0.04 0.00 0.00 177.00 174.24 1y1c n ILE 40 N 8.04 1.63 -3.65 0.56 -0.00 -1.26 -4.99 119.36 119.69 1y1c n ILE 40 Ca 0.42 -0.34 -0.29 0.00 -0.00 0.00 0.00 62.75 62.54 1y1c n ILE 40 Cb 0.46 -0.82 -0.14 0.00 -0.00 0.00 0.00 39.64 39.14 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 -3.14 0.67 0.21 6.28 2.02 -1.16 -4.83 118.70 118.74 1y1c s GLU 41 Ca 0.66 -1.14 -0.10 0.00 0.02 0.00 0.00 54.97 54.41 1y1c s GLU 41 Cb -0.32 -1.77 -0.08 0.00 0.10 0.00 0.00 34.13 32.07 1y1c s GLU 41 CO 0.58 -1.05 0.01 1.28 0.02 0.00 0.00 175.26 176.10 1y1c n LEU 42 N 4.61 -1.54 0.00 1.80 7.99 -1.26 0.39 117.00 129.00 1y1c n LEU 42 Ca 0.01 0.38 0.00 0.00 -0.01 0.00 0.00 56.01 56.39 1y1c n LEU 42 Cb 0.40 -0.43 0.00 0.00 -0.11 0.00 0.00 43.42 43.28 1y1c n LEU 42 CO 0.12 -2.17 -0.08 1.33 -1.51 0.00 0.00 177.39 175.09 1y1c n VAL 43 N -0.57 0.00 -3.66 4.08 0.24 0.77 -4.42 118.33 114.76 1y1c n VAL 43 Ca 0.05 0.00 -0.10 0.00 -2.04 0.00 0.00 64.34 62.25 1y1c n VAL 43 Cb 0.21 -0.27 -0.11 0.00 -1.47 0.00 0.00 33.84 32.20 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 -1.43 -0.66 -0.74 6.34 0.00 -0.95 -5.02 115.29 112.83 1y1c s HIS 44 Ca 0.00 1.32 -0.20 0.00 -3.00 0.00 0.00 55.06 53.18 1y1c s HIS 44 Cb 0.00 0.18 -0.15 0.00 -4.00 0.00 0.00 32.58 28.61 1y1c s HIS 44 CO 0.00 -0.43 1.92 0.36 -1.00 0.00 0.00 174.74 175.59 1y1c n LYS 45 N 5.34 1.49 -3.04 -0.38 2.85 -1.26 0.65 118.16 123.80 1y1c n LYS 45 Ca -0.08 -1.72 0.00 0.00 -1.05 0.00 0.00 58.31 55.46 1y1c n LYS 45 Cb 0.50 -2.81 0.00 0.00 -0.65 0.00 0.00 35.03 32.07 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 4.43 -0.95 2.39 2.58 0.00 0.38 -4.76 105.19 109.25 1y1c n GLY 46 Ca 0.48 -0.73 -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 3.86 0.00 1.61 1.74 -1.25 -2.38 116.66 120.25 1y1c n ARG 47 Ca 0.00 -2.73 0.00 0.00 -0.77 0.00 0.00 57.85 54.35 1y1c n ARG 47 Cb 0.00 -2.58 0.00 0.00 -1.02 0.00 0.00 32.46 28.86 1y1c n ARG 47 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11