#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 -0.56 -3.41 1.97 -0.04 -1.26 -5.11 135.00 126.59 1y1c n PRO 2 Ca 0.00 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.34 1y1c n PRO 2 Cb 0.00 0.00 -0.05 0.00 -0.04 0.00 0.00 33.50 33.41 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 -2.49 -0.37 0.09 3.54 8.00 -1.26 -5.08 116.55 118.98 1y1c n ASP 3 Ca 0.00 -2.38 0.00 0.00 0.71 0.00 0.00 54.79 53.12 1y1c n ASP 3 Cb 0.00 1.03 0.00 0.00 -0.02 0.00 0.00 41.12 42.13 1y1c n ASP 3 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1y1c n ALA 4 N -1.57 0.00 -0.43 2.24 0.00 -1.23 -4.61 120.51 114.91 1y1c n ALA 4 Ca -0.07 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.13 1y1c n ALA 4 Cb 0.38 0.00 0.20 0.00 0.00 0.00 0.00 19.45 20.03 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 -3.08 -3.13 -2.70 0.00 -0.02 -1.26 -2.68 135.00 122.12 1y1c n PRO 5 Ca 0.00 -0.93 -0.04 0.00 -2.02 0.00 0.00 63.50 60.51 1y1c n PRO 5 Cb 0.00 -1.66 0.04 0.00 -0.02 0.00 0.00 33.50 31.86 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 2.29 1.28 0.10 0.00 -0.00 -1.26 -4.49 119.36 117.27 1y1c n ILE 7 Ca 0.10 -4.72 -0.21 0.00 -0.00 0.00 0.00 62.75 57.92 1y1c n ILE 7 Cb 0.64 -0.59 -0.15 0.00 -0.00 0.00 0.00 39.64 39.54 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 -2.60 0.00 -0.37 0.00 -1.32 -1.26 -5.01 115.64 105.08 1y1c s THR 9 Ca -0.11 0.00 0.06 0.00 -1.21 0.00 0.00 61.69 60.43 1y1c s THR 9 Cb 0.06 -1.00 0.56 0.00 -1.51 0.00 0.00 72.50 70.61 1y1c s THR 9 CO 0.88 0.00 1.61 0.23 -2.21 0.00 0.00 174.62 175.13 1y1c n MET 10 N 2.01 2.80 0.00 7.08 2.81 -1.26 -4.69 117.12 125.87 1y1c n MET 10 Ca -0.12 -2.36 0.00 0.00 -1.81 0.00 0.00 57.70 53.41 1y1c n MET 10 Cb 0.56 -1.98 0.00 0.00 -0.71 0.00 0.00 33.22 31.09 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 -0.26 0.00 0.00 0.03 6.02 -1.26 -5.09 117.38 116.82 1y1c n GLN 11 Ca 0.36 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.35 1y1c n GLN 11 Cb 1.23 0.00 0.00 0.00 1.02 0.00 0.00 30.24 32.49 1y1c n GLN 11 CO 0.00 0.00 0.00 0.98 -1.01 0.00 0.00 177.06 177.03 1y1c n TYR 12 N 0.00 0.00 -3.03 1.08 4.19 -1.26 -5.06 117.16 113.08 1y1c n TYR 12 Ca 0.00 0.00 -0.34 0.00 3.31 0.00 0.00 57.90 60.87 1y1c n TYR 12 Cb 0.00 0.00 -0.03 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 0.00 5.35 -4.54 2.98 2.03 0.21 -5.01 116.55 117.56 1y1c n ASP 13 Ca 0.00 -3.56 -0.33 0.00 0.52 0.00 0.00 54.79 51.42 1y1c n ASP 13 Cb 0.00 -0.88 -0.06 0.00 -0.72 0.00 0.00 41.12 39.46 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 0.45 0.78 -3.69 -0.67 -0.04 -0.48 -3.22 135.00 128.13 1y1c n PRO 14 Ca 0.33 -0.12 -0.35 0.00 -0.04 0.00 0.00 63.50 63.31 1y1c n PRO 14 Cb 0.35 -3.12 -0.08 0.00 -0.04 0.00 0.00 33.50 30.62 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 11.77 5.39 -0.27 0.52 -7.23 0.22 -1.64 120.40 129.16 1y1c s VAL 15 Ca 1.04 0.26 -0.29 0.00 -1.81 0.00 0.00 61.98 61.18 1y1c s VAL 15 Cb -0.35 -3.50 0.01 0.00 0.56 0.00 0.00 36.38 33.09 1y1c s VAL 15 CO 0.28 0.43 1.13 0.00 -0.31 0.00 0.00 175.10 176.63 1y1c s GLY 17 N 1.76 1.76 -0.95 0.00 0.00 -0.37 -0.07 107.32 109.45 1y1c s GLY 17 Ca 0.48 -0.89 -0.25 0.00 0.00 0.00 0.00 44.72 44.07 1y1c s GLY 17 CO 0.14 -0.68 2.52 1.44 0.00 0.00 0.00 173.10 176.52 1y1c n SER 18 N 2.04 0.03 0.00 1.64 7.64 0.20 -1.72 113.62 123.45 1y1c n SER 18 Ca -0.17 -0.13 0.00 0.00 1.01 0.00 0.00 58.87 59.57 1y1c n SER 18 Cb 0.53 -0.90 0.00 0.00 -1.01 0.00 0.00 64.21 62.84 1y1c n SER 18 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1y1c n ASP 19 N 9.89 0.00 0.00 6.43 2.03 -1.26 -2.93 116.55 130.70 1y1c n ASP 19 Ca 0.64 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.95 1y1c n ASP 19 Cb 0.12 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.52 1y1c n ASP 19 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1y1c n GLY 20 N 0.00 1.18 3.26 0.27 0.00 -0.70 -5.09 105.19 104.11 1y1c n GLY 20 Ca 0.00 -0.18 -0.32 0.00 0.00 0.00 0.00 46.02 45.52 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 2.22 -0.66 -0.61 1.09 -1.21 -4.99 121.20 115.04 1y1c s ILE 21 Ca 0.00 -0.98 -0.19 0.00 -1.10 0.00 0.00 60.65 58.38 1y1c s ILE 21 Cb 0.00 -1.84 0.11 0.00 -1.06 0.00 0.00 42.46 39.66 1y1c s ILE 21 CO 0.00 0.56 0.82 -0.89 -0.10 0.00 0.00 174.94 175.33 1y1c s THR 22 N 0.15 4.73 -0.15 2.92 2.01 -1.26 -1.24 115.64 122.81 1y1c s THR 22 Ca -0.12 -1.00 -0.28 0.00 0.31 0.00 0.00 61.69 60.60 1y1c s THR 22 Cb -0.16 -4.57 -0.01 0.00 0.01 0.00 0.00 72.50 67.77 1y1c s THR 22 CO 0.07 -1.25 0.97 -0.31 -0.69 0.00 0.00 174.62 173.41 1y1c s TYR 23 N 2.88 3.46 0.48 4.92 2.02 0.43 -4.74 117.35 126.79 1y1c s TYR 23 Ca 0.17 1.49 0.43 0.00 -0.37 0.00 0.00 57.07 58.79 1y1c s TYR 23 Cb -0.19 -3.16 1.51 0.00 -0.40 0.00 0.00 41.96 39.72 1y1c s TYR 23 CO 0.04 -0.28 1.37 0.41 -1.57 0.00 0.00 175.55 175.53 1y1c n GLY 24 N 3.22 -0.86 3.57 0.71 0.00 -1.26 0.70 105.19 111.27 1y1c n GLY 24 Ca 0.08 0.62 -0.13 0.00 0.00 0.00 0.00 46.02 46.59 1y1c n GLY 24 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1y1c s ASN 25 N -3.91 -0.50 0.59 1.61 0.01 -1.20 0.65 114.94 112.19 1y1c s ASN 25 Ca -0.05 0.64 0.29 0.00 -0.71 0.00 0.00 52.86 53.04 1y1c s ASN 25 Cb 0.24 0.54 1.36 0.00 0.41 0.00 0.00 41.25 43.80 1y1c s ASN 25 CO 0.78 -0.39 1.75 0.00 -1.51 0.00 0.00 177.10 177.74 1y1c h ALA 26 N 3.11 2.39 0.03 0.60 0.00 -1.77 0.57 119.26 124.19 1y1c h ALA 26 Ca -0.23 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.66 1y1c h ALA 26 Cb 1.16 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.99 1y1c h ALA 26 CO 0.29 -0.99 -0.01 0.00 0.00 0.00 0.00 179.25 178.54 1y1c h MET 28 N -0.90 0.30 0.19 0.00 2.86 -0.26 2.16 114.93 119.29 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 0.72 -0.07 -0.03 0.00 0.06 0.00 0.00 31.60 32.29 1y1c h MET 28 CO 0.01 0.20 -0.26 1.25 1.06 0.00 0.00 176.91 179.17 1y1c h LEU 29 N 0.31 -0.72 -1.49 1.22 6.46 -0.47 0.45 115.31 121.07 1y1c h LEU 29 Ca 0.74 0.07 0.31 0.00 -0.12 0.00 0.00 57.88 58.88 1y1c h LEU 29 Cb 1.71 0.26 -0.09 0.00 -0.73 0.00 0.00 40.66 41.81 1y1c h LEU 29 CO -0.59 -0.36 0.74 -0.07 -0.62 0.00 0.00 178.44 177.53 1y1c h LEU 30 N -0.51 0.33 -0.41 2.25 3.38 0.45 2.94 115.31 123.73 1y1c h LEU 30 Ca 0.01 0.08 -0.18 0.00 0.09 0.00 0.00 57.88 57.87 1y1c h LEU 30 Cb 0.50 0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.27 1y1c h LEU 30 CO -0.10 0.03 -0.78 0.00 0.09 0.00 0.00 178.44 177.68 1y1c h ALA 32 N 1.02 -0.64 -0.91 0.00 0.00 0.93 0.16 119.26 119.82 1y1c h ALA 32 Ca -0.03 -0.17 0.21 0.00 0.00 0.00 0.00 54.91 54.91 1y1c h ALA 32 Cb 1.36 0.25 -0.07 0.00 0.00 0.00 0.00 17.79 19.33 1y1c h ALA 32 CO 0.12 -0.78 0.60 0.77 0.00 0.00 0.00 179.25 179.97 1y1c h SER 33 N -0.79 0.41 0.10 0.00 0.02 -0.26 0.85 113.55 113.88 1y1c h SER 33 Ca -0.07 0.05 0.00 0.00 -0.84 0.00 0.00 61.79 60.93 1y1c h SER 33 Cb 0.56 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 63.07 1y1c h SER 33 CO 0.11 0.16 -0.13 0.00 -1.14 0.00 0.00 176.83 175.82 1y1c n ALA 34 N -2.51 2.83 0.00 3.77 0.00 -1.01 -4.18 120.51 119.41 1y1c n ALA 34 Ca 0.20 -0.44 0.00 0.00 0.00 0.00 0.00 53.44 53.20 1y1c n ALA 34 Cb 0.71 -1.13 0.00 0.00 0.00 0.00 0.00 19.45 19.03 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 -0.18 1.01 0.00 0.00 1.85 0.11 -4.97 116.66 114.47 1y1c n ARG 35 Ca 0.15 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 57.00 1y1c n ARG 35 Cb 0.36 -0.92 0.00 0.00 -1.05 0.00 0.00 32.46 30.85 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 -1.39 0.00 0.00 2.89 2.88 0.26 -5.04 113.62 113.22 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 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 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 -4.62 -3.46 5.68 -1.26 -5.08 116.55 107.81 1y1c n ASP 37 Ca 0.00 0.00 -0.34 0.00 -0.50 0.00 0.00 54.79 53.95 1y1c n ASP 37 Cb 0.00 0.00 -0.10 0.00 -1.14 0.00 0.00 41.12 39.88 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 4.13 -0.96 2.12 -1.32 -1.26 -5.05 115.64 113.30 1y1c s THR 38 Ca 0.00 -0.30 -0.24 0.00 -1.21 0.00 0.00 61.69 59.94 1y1c s THR 38 Cb 0.00 -2.75 -0.01 0.00 -1.51 0.00 0.00 72.50 68.23 1y1c s THR 38 CO 0.00 0.57 1.76 -2.16 -2.21 0.00 0.00 174.62 172.58 1y1c s PRO 39 N -0.52 2.96 1.14 7.08 0.04 -1.26 -4.70 135.00 139.75 1y1c s PRO 39 Ca 0.09 -0.66 -0.17 0.00 0.04 0.00 0.00 61.00 60.29 1y1c s PRO 39 Cb -0.12 -5.19 0.15 0.00 0.04 0.00 0.00 34.50 29.38 1y1c s PRO 39 CO 0.02 -2.94 0.24 0.44 0.04 0.00 0.00 177.00 174.80 1y1c n ILE 40 N 7.48 0.00 -3.40 0.56 -0.00 -1.26 -5.02 119.36 117.72 1y1c n ILE 40 Ca 0.38 -0.34 -0.18 0.00 -0.00 0.00 0.00 62.75 62.61 1y1c n ILE 40 Cb 0.48 -0.70 -0.09 0.00 -0.00 0.00 0.00 39.64 39.33 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 -3.67 0.37 0.20 6.28 2.02 -1.15 -4.85 118.70 117.91 1y1c s GLU 41 Ca 0.59 -0.28 -0.09 0.00 0.02 0.00 0.00 54.97 55.20 1y1c s GLU 41 Cb -0.15 -0.69 -0.07 0.00 0.10 0.00 0.00 34.13 33.32 1y1c s GLU 41 CO 0.66 -1.06 0.00 1.28 0.02 0.00 0.00 175.26 176.16 1y1c n LEU 42 N 5.12 -1.45 0.00 1.80 7.99 -1.26 0.61 117.00 129.80 1y1c n LEU 42 Ca 0.00 0.34 0.00 0.00 -0.01 0.00 0.00 56.01 56.35 1y1c n LEU 42 Cb 0.46 -0.40 0.00 0.00 -0.11 0.00 0.00 43.42 43.37 1y1c n LEU 42 CO 0.02 -2.02 -0.04 0.52 -1.51 0.00 0.00 177.39 174.36 1y1c n VAL 43 N -0.55 0.00 -3.66 4.08 0.31 0.91 -4.38 118.33 115.03 1y1c n VAL 43 Ca 0.05 0.00 -0.07 0.00 -0.01 0.00 0.00 64.34 64.31 1y1c n VAL 43 Cb 0.19 -0.06 -0.08 0.00 -0.91 0.00 0.00 33.84 32.98 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 -1.11 -0.93 -0.73 3.52 0.00 -0.85 -5.02 115.29 110.17 1y1c s HIS 44 Ca 0.00 1.73 -0.17 0.00 -3.00 0.00 0.00 55.06 53.62 1y1c s HIS 44 Cb 0.00 0.44 -0.14 0.00 -4.00 0.00 0.00 32.58 28.88 1y1c s HIS 44 CO 0.00 -0.52 1.91 1.63 -1.00 0.00 0.00 174.74 176.77 1y1c n LYS 45 N 5.23 1.50 -3.04 -0.38 5.02 -1.26 0.71 118.16 125.94 1y1c n LYS 45 Ca -0.12 -1.64 0.00 0.00 -2.02 0.00 0.00 58.31 54.54 1y1c n LYS 45 Cb 0.50 -2.73 0.00 0.00 -0.02 0.00 0.00 35.03 32.78 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 4.34 -0.68 2.45 0.72 0.00 -0.65 -4.79 105.19 106.58 1y1c n GLY 46 Ca 0.46 -0.65 -0.35 0.00 0.00 0.00 0.00 46.02 45.49 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 3.74 -0.04 1.61 1.74 -1.25 -2.12 116.66 120.34 1y1c n ARG 47 Ca 0.00 -2.92 0.00 0.00 -0.77 0.00 0.00 57.85 54.16 1y1c n ARG 47 Cb 0.00 -2.46 0.00 0.00 -1.02 0.00 0.00 32.46 28.98 1y1c n ARG 47 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11