#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1c9t s THR 8 N 0.00 0.00 0.27 12.58 -4.23 0.44 -4.95 115.64 119.74 1c9t s THR 8 Ca 0.00 0.00 -0.30 0.00 -1.18 0.00 0.00 61.69 60.21 1c9t s THR 8 Cb 0.00 -1.00 -0.10 0.00 1.34 0.00 0.00 72.50 72.74 1c9t s THR 8 CO 0.00 0.00 1.46 -2.16 -0.54 0.00 0.00 174.62 173.38 1c9t s PRO 9 N -0.26 4.24 -0.17 3.99 0.04 -1.26 0.02 135.00 141.60 1c9t s PRO 9 Ca 0.08 2.35 -0.04 0.00 0.04 0.00 0.00 61.00 63.43 1c9t s PRO 9 Cb -0.04 -3.09 0.08 0.00 0.04 0.00 0.00 34.50 31.49 1c9t s PRO 9 CO -0.15 -0.44 0.17 0.00 0.04 0.00 0.00 177.00 176.62 1c9t n GLY 11 N 5.31 3.11 0.00 0.00 0.00 -1.25 -0.39 105.19 111.96 1c9t n GLY 11 Ca -0.06 0.07 0.14 0.00 0.00 0.00 0.00 46.02 46.17 1c9t n GLY 11 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1c9t n PRO 12 N 14.00 0.15 -3.61 1.61 -0.04 -1.26 -4.88 135.00 140.97 1c9t n PRO 12 Ca 0.00 -0.01 -0.19 0.00 -0.04 0.00 0.00 63.50 63.26 1c9t n PRO 12 Cb 0.00 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 31.92 1c9t n PRO 12 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 1c9t n VAL 13 N -1.42 0.00 -3.67 0.52 0.24 0.47 -5.15 118.33 109.32 1c9t n VAL 13 Ca 0.09 -1.44 -0.21 0.00 -2.04 0.00 0.00 64.34 60.74 1c9t n VAL 13 Cb 0.31 0.30 -0.18 0.00 -1.47 0.00 0.00 33.84 32.80 1c9t n VAL 13 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 1c9t s THR 14 N -2.12 -0.07 0.03 3.34 -4.23 -1.26 -0.70 115.64 110.63 1c9t s THR 14 Ca 0.01 0.35 -0.30 0.00 -1.18 0.00 0.00 61.69 60.56 1c9t s THR 14 Cb 0.00 -0.22 -0.05 0.00 1.34 0.00 0.00 72.50 73.57 1c9t s THR 14 CO 0.00 0.14 1.24 0.00 -0.54 0.00 0.00 174.62 175.47 1c9t s SER 16 N 1.26 4.83 0.00 0.00 0.15 -1.26 -0.42 113.70 118.26 1c9t s SER 16 Ca 0.59 -0.96 0.00 0.00 0.70 0.00 0.00 55.95 56.29 1c9t s SER 16 Cb -0.29 -0.20 0.00 0.00 -1.71 0.00 0.00 66.02 63.82 1c9t s SER 16 CO 0.27 -0.82 0.00 0.61 1.20 0.00 0.00 173.24 174.51 1c9t n GLY 17 N -1.61 0.92 0.93 9.45 0.00 -1.26 -1.26 105.19 112.36 1c9t n GLY 17 Ca 0.02 0.24 0.01 0.00 0.00 0.00 0.00 46.02 46.29 1c9t n GLY 17 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1c9t n ALA 18 N 4.08 2.93 -2.80 4.61 0.00 -1.26 -1.39 120.51 126.68 1c9t n ALA 18 Ca 0.00 -0.56 -0.36 0.00 0.00 0.00 0.00 53.44 52.52 1c9t n ALA 18 Cb 0.00 -1.04 -0.06 0.00 0.00 0.00 0.00 19.45 18.35 1c9t n ALA 18 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1c9t s GLN 19 N -1.43 3.54 -0.10 0.00 -0.21 -0.39 -4.43 119.66 116.64 1c9t s GLN 19 Ca 0.15 -0.07 -0.00 0.00 0.02 0.00 0.00 55.36 55.46 1c9t s GLN 19 Cb 0.12 -3.16 -0.03 0.00 1.00 0.00 0.00 33.01 30.95 1c9t s GLN 19 CO 0.04 0.72 -0.08 1.41 -2.12 0.00 0.00 175.29 175.26 1c9t s MET 20 N -1.33 3.09 -0.02 2.91 -2.45 0.14 -2.64 119.30 119.01 1c9t s MET 20 Ca 0.21 -0.59 -0.30 0.00 -1.25 0.00 0.00 55.69 53.76 1c9t s MET 20 Cb -0.13 -2.65 -0.03 0.00 1.25 0.00 0.00 34.83 33.27 1c9t s MET 20 CO 0.10 0.46 1.02 0.00 1.05 0.00 0.00 175.02 177.65 1c9t s GLU 22 N 1.31 2.20 0.00 0.00 2.12 0.18 -4.96 118.70 119.55 1c9t s GLU 22 Ca 0.52 -2.63 0.00 0.00 0.36 0.00 0.00 54.97 53.22 1c9t s GLU 22 Cb -0.22 -3.46 0.00 0.00 0.26 0.00 0.00 34.13 30.71 1c9t s GLU 22 CO 0.26 -1.14 0.00 0.28 -0.54 0.00 0.00 175.26 174.12 1c9t n VAL 23 N 3.18 0.00 -0.42 3.70 0.31 -1.26 -1.23 118.33 122.61 1c9t n VAL 23 Ca 0.06 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.39 1c9t n VAL 23 Cb 0.34 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.27 1c9t n VAL 23 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 1c9t n ASP 24 N 0.85 0.59 -4.19 4.52 10.43 -1.26 -3.84 116.55 123.64 1c9t n ASP 24 Ca 0.00 -1.01 -0.22 0.00 2.57 0.00 0.00 54.79 56.14 1c9t n ASP 24 Cb 0.00 0.00 -0.13 0.00 1.84 0.00 0.00 41.12 42.83 1c9t n ASP 24 CO 0.00 0.00 0.00 -0.75 -1.07 0.00 0.00 177.20 175.38 1c9t s LYS 25 N -0.01 1.04 -0.25 -1.24 2.20 -0.37 -4.28 119.74 116.84 1c9t s LYS 25 Ca 0.00 -0.90 -0.11 0.00 -0.36 0.00 0.00 55.97 54.60 1c9t s LYS 25 Cb 0.00 -1.12 -0.05 0.00 -1.51 0.00 0.00 37.83 35.15 1c9t s LYS 25 CO 0.00 0.27 0.21 0.00 -0.36 0.00 0.00 175.35 175.47 1c9t s VAL 27 N 1.37 1.58 0.60 0.00 -7.23 0.11 -4.92 120.40 111.91 1c9t s VAL 27 Ca 0.09 -2.13 -0.07 0.00 -1.81 0.00 0.00 61.98 58.06 1c9t s VAL 27 Cb -0.15 -2.34 -0.00 0.00 0.56 0.00 0.00 36.38 34.45 1c9t s VAL 27 CO 0.07 -0.38 0.93 0.00 -0.31 0.00 0.00 175.10 175.42 1c9t s SER 29 N -4.27 3.09 0.05 0.00 0.01 -1.26 -4.84 113.70 106.47 1c9t s SER 29 Ca 0.54 -1.01 0.23 0.00 1.31 0.00 0.00 55.95 57.02 1c9t s SER 29 Cb -0.11 -0.22 0.15 0.00 0.21 0.00 0.00 66.02 66.05 1c9t s SER 29 CO 0.47 -0.05 1.12 0.47 0.41 0.00 0.00 173.24 175.67 1c9t n ASP 30 N -0.41 0.63 -4.68 2.44 10.43 -1.26 -4.78 116.55 118.91 1c9t n ASP 30 Ca -0.07 -0.21 -0.50 0.00 2.57 0.00 0.00 54.79 56.58 1c9t n ASP 30 Cb 0.60 0.62 -0.05 0.00 1.84 0.00 0.00 41.12 44.13 1c9t n ASP 30 CO 0.00 0.00 0.00 -0.11 -1.07 0.00 0.00 177.20 176.02 1c9t n LEU 31 N -1.88 3.22 -3.72 0.64 0.00 -1.26 -4.97 117.00 109.02 1c9t n LEU 31 Ca 0.03 1.00 -0.12 0.00 0.00 0.00 0.00 56.01 56.92 1c9t n LEU 31 Cb 0.41 -1.33 -0.07 0.00 0.00 0.00 0.00 43.42 42.43 1c9t n LEU 31 CO 0.39 -0.15 0.07 -1.00 0.00 0.00 0.00 177.39 176.71 1c9t s HIS 32 N 3.72 -0.17 0.57 1.96 3.76 -1.26 -4.26 115.29 119.61 1c9t s HIS 32 Ca 0.93 0.07 -0.09 0.00 -0.15 0.00 0.00 55.06 55.82 1c9t s HIS 32 Cb -0.76 0.14 -0.04 0.00 1.11 0.00 0.00 32.58 33.03 1c9t s HIS 32 CO 0.53 -0.52 0.95 0.00 -0.85 0.00 0.00 174.74 174.85 1c9t n LYS 34 N -2.57 2.46 -2.06 0.00 5.02 -1.26 -4.95 118.16 114.80 1c9t n LYS 34 Ca 0.04 -2.56 -0.24 0.00 -2.02 0.00 0.00 58.31 53.54 1c9t n LYS 34 Cb 0.54 -2.16 0.15 0.00 -0.02 0.00 0.00 35.03 33.54 1c9t n LYS 34 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1c9t n VAL 35 N 0.61 0.00 -3.83 -0.18 0.31 -1.26 -5.06 118.33 108.92 1c9t n VAL 35 Ca 0.50 -1.16 -0.30 0.00 -0.01 0.00 0.00 64.34 63.37 1c9t n VAL 35 Cb 0.49 -1.25 -0.14 0.00 -0.91 0.00 0.00 33.84 32.04 1c9t n VAL 35 CO 0.00 0.00 0.00 -0.75 -1.32 0.00 0.00 176.83 174.76 1c9t s LYS 36 N -5.25 1.54 -0.01 5.55 2.20 -1.26 -5.08 119.74 117.42 1c9t s LYS 36 Ca 0.64 -2.18 -0.30 0.00 -0.36 0.00 0.00 55.97 53.77 1c9t s LYS 36 Cb -0.03 -2.77 -0.05 0.00 -1.51 0.00 0.00 37.83 33.48 1c9t s LYS 36 CO 0.44 -1.11 1.37 0.00 -0.36 0.00 0.00 175.35 175.69 1c9t h GLU 38 N 7.81 0.66 -0.35 0.00 4.81 -1.98 -2.78 114.58 122.74 1c9t h GLU 38 Ca -0.37 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 58.82 1c9t h GLU 38 Cb 1.17 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 30.41 1c9t h GLU 38 CO 0.90 0.43 0.00 0.72 -0.73 0.00 0.00 179.01 180.34 1c9t n HIS 39 N -4.82 0.46 0.00 0.92 8.25 -1.26 -5.05 115.22 113.72 1c9t n HIS 39 Ca 0.13 -0.31 0.00 0.00 -0.26 0.00 0.00 57.72 57.27 1c9t n HIS 39 Cb 0.29 -0.01 0.00 0.00 1.12 0.00 0.00 29.99 31.40 1c9t n HIS 39 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1c9t n GLY 40 N 1.07 -0.14 3.77 -1.41 0.00 -1.05 -4.70 105.19 102.73 1c9t n GLY 40 Ca 0.15 -1.79 -0.38 0.00 0.00 0.00 0.00 46.02 44.00 1c9t n GLY 40 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1c9t s PHE 41 N -1.83 3.12 0.22 1.61 0.40 -1.26 -0.23 117.98 120.01 1c9t s PHE 41 Ca 0.00 1.57 -0.30 0.00 -0.60 0.00 0.00 56.93 57.60 1c9t s PHE 41 Cb 0.00 -3.36 -0.10 0.00 0.51 0.00 0.00 43.02 40.07 1c9t s PHE 41 CO 0.00 -1.20 1.42 0.21 0.70 0.00 0.00 175.22 176.35 1c9t s LYS 42 N -2.26 4.29 -0.05 0.44 2.20 0.82 -4.35 119.74 120.83 1c9t s LYS 42 Ca 0.56 2.24 0.01 0.00 -0.36 0.00 0.00 55.97 58.43 1c9t s LYS 42 Cb -0.30 -3.14 -0.03 0.00 -1.51 0.00 0.00 37.83 32.85 1c9t s LYS 42 CO 0.38 -0.40 -0.08 0.15 -0.36 0.00 0.00 175.35 175.04 1c9t s LYS 43 N -0.10 2.69 0.70 4.03 1.02 -1.26 0.78 119.74 127.61 1c9t s LYS 43 Ca 0.60 -0.59 -0.05 0.00 0.02 0.00 0.00 55.97 55.95 1c9t s LYS 43 Cb -0.41 -2.55 0.08 0.00 -0.52 0.00 0.00 37.83 34.43 1c9t s LYS 43 CO 0.40 0.65 1.00 0.16 -0.92 0.00 0.00 175.35 176.64 1c9t s ASP 44 N -0.90 4.66 0.66 2.83 -4.77 0.57 -4.91 116.67 114.81 1c9t s ASP 44 Ca 0.13 0.21 0.29 0.00 -3.30 0.00 0.00 52.55 49.88 1c9t s ASP 44 Cb -0.11 -0.80 1.60 0.00 -1.09 0.00 0.00 42.92 42.52 1c9t s ASP 44 CO 0.02 -1.67 1.91 0.44 0.70 0.00 0.00 175.17 176.57 1c9t h ASP 45 N -0.56 0.00 0.60 2.11 3.32 -2.00 0.22 116.42 120.10 1c9t h ASP 45 Ca -0.43 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.62 1c9t h ASP 45 Cb 1.30 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.85 1c9t h ASP 45 CO 0.53 0.00 -0.35 0.59 -1.72 0.00 0.00 179.24 178.29 1c9t n ASN 46 N -2.95 0.41 0.00 6.45 4.13 -1.26 -4.94 115.26 117.11 1c9t n ASN 46 Ca -0.01 -0.13 0.00 0.00 1.68 0.00 0.00 54.58 56.12 1c9t n ASN 46 Cb 0.41 0.05 0.00 0.00 -1.54 0.00 0.00 39.78 38.70 1c9t n ASN 46 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1c9t n GLY 47 N 1.48 1.96 3.78 7.41 0.00 0.77 -5.07 105.19 115.52 1c9t n GLY 47 Ca 0.07 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.76 1c9t n GLY 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1c9t s GLU 49 N -4.24 2.94 0.21 0.00 2.02 -1.26 -0.31 118.70 118.06 1c9t s GLU 49 Ca 0.65 -0.43 -0.30 0.00 0.02 0.00 0.00 54.97 54.91 1c9t s GLU 49 Cb -0.19 -2.76 -0.09 0.00 0.10 0.00 0.00 34.13 31.19 1c9t s GLU 49 CO 0.43 0.70 1.27 0.71 0.02 0.00 0.00 175.26 178.38 1c9t s TYR 50 N -0.88 3.30 0.22 1.61 1.51 0.23 -4.78 117.35 118.56 1c9t s TYR 50 Ca 0.13 1.31 -0.14 0.00 -1.01 0.00 0.00 57.07 57.37 1c9t s TYR 50 Cb -0.11 -3.55 0.27 0.00 -0.11 0.00 0.00 41.96 38.46 1c9t s TYR 50 CO 0.02 -1.64 1.59 0.00 -1.11 0.00 0.00 175.55 174.42 1c9t h ALA 51 N 5.06 0.35 -1.60 3.71 0.00 -1.90 -3.25 119.26 121.63 1c9t h ALA 51 Ca -0.45 0.27 -0.46 0.00 0.00 0.00 0.00 54.91 54.26 1c9t h ALA 51 Cb 1.22 0.67 -0.40 0.00 0.00 0.00 0.00 17.79 19.27 1c9t h ALA 51 CO 0.75 -0.49 -1.08 0.00 0.00 0.00 0.00 179.25 178.43 1c9t s ILE 53 N -3.30 -0.07 0.13 0.00 1.01 -1.23 -5.03 121.20 112.71 1c9t s ILE 53 Ca 0.37 0.20 -0.08 0.00 0.00 0.00 0.00 60.65 61.15 1c9t s ILE 53 Cb 0.39 -0.21 -0.06 0.00 0.01 0.00 0.00 42.46 42.59 1c9t s ILE 53 CO -0.06 0.08 0.41 0.00 0.00 0.00 0.00 174.94 175.38 1c9t s ALA 55 N -1.57 3.39 0.34 0.00 0.00 0.68 -4.36 121.76 120.24 1c9t s ALA 55 Ca 0.38 0.85 0.21 0.00 0.00 0.00 0.00 51.96 53.40 1c9t s ALA 55 Cb -0.13 -3.34 1.05 0.00 0.00 0.00 0.00 23.12 20.70 1c9t s ALA 55 CO 0.21 -0.19 1.92 -0.44 0.00 0.00 0.00 175.76 177.27 1c9t h ASP 56 N 4.61 0.00 -5.04 0.00 3.32 -1.93 -3.39 116.42 113.99 1c9t h ASP 56 Ca -0.45 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 56.55 1c9t h ASP 56 Cb 1.21 0.00 -0.14 0.00 0.22 0.00 0.00 39.33 40.62 1c9t h ASP 56 CO 0.70 0.24 0.02 0.00 -1.72 0.00 0.00 179.24 178.49 1c9t s ALA 57 N -4.07 -1.20 0.30 3.45 0.00 -1.26 -5.00 121.76 113.99 1c9t s ALA 57 Ca -0.02 0.26 -0.30 0.00 0.00 0.00 0.00 51.96 51.91 1c9t s ALA 57 Cb 0.13 0.64 -0.12 0.00 0.00 0.00 0.00 23.12 23.77 1c9t s ALA 57 CO 0.65 -0.63 1.46 -0.35 0.00 0.00 0.00 175.76 176.89 1c9t n PRO 58 N -0.06 2.38 0.00 0.00 -0.04 -1.26 -4.96 135.00 131.06 1c9t n PRO 58 Ca -0.17 0.84 0.10 0.00 -0.04 0.00 0.00 63.50 64.23 1c9t n PRO 58 Cb 0.63 -2.54 0.58 0.00 -0.04 0.00 0.00 33.50 32.13 1c9t n PRO 58 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40