#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2c1t s LYS 3 N 0.00 3.40 -0.13 0.00 -0.14 -1.26 -5.06 119.74 116.55 2c1t s LYS 3 Ca 0.00 1.26 -0.01 0.00 -1.36 0.00 0.00 55.97 55.86 2c1t s LYS 3 Cb 0.00 -2.04 0.03 0.00 -1.68 0.00 0.00 37.83 34.14 2c1t s LYS 3 CO 0.00 -0.75 -0.06 1.03 -0.76 0.00 0.00 175.35 174.81 2c1t s ARG 4 N -3.88 1.38 0.75 1.68 0.52 -1.26 -5.13 118.95 113.02 2c1t s ARG 4 Ca 0.65 -0.31 -0.12 0.00 -0.52 0.00 0.00 55.73 55.42 2c1t s ARG 4 Cb -0.17 -1.69 0.05 0.00 0.52 0.00 0.00 34.95 33.66 2c1t s ARG 4 CO 0.33 -0.34 1.11 0.08 0.02 0.00 0.00 175.30 176.50 2c1t s VAL 5 N 1.71 3.10 0.56 3.52 1.01 -1.26 -5.00 120.40 124.04 2c1t s VAL 5 Ca 0.03 0.41 -0.18 0.00 0.00 0.00 0.00 61.98 62.24 2c1t s VAL 5 Cb -0.14 -2.87 -0.05 0.00 0.00 0.00 0.00 36.38 33.33 2c1t s VAL 5 CO -0.08 -0.41 1.10 0.00 0.00 0.00 0.00 175.10 175.71 2c1t s ALA 6 N -2.65 2.69 0.34 5.51 0.00 -1.26 -4.93 121.76 121.46 2c1t s ALA 6 Ca 0.64 0.70 0.14 0.00 0.00 0.00 0.00 51.96 53.44 2c1t s ALA 6 Cb -0.19 -3.32 1.07 0.00 0.00 0.00 0.00 23.12 20.68 2c1t s ALA 6 CO 0.51 -0.78 1.66 -0.44 0.00 0.00 0.00 175.76 176.71 2c1t h ASP 7 N 1.00 0.46 -5.05 0.00 3.32 -2.07 -3.43 116.42 110.64 2c1t h ASP 7 Ca -0.49 0.20 -0.04 0.00 0.02 0.00 0.00 57.03 56.72 2c1t h ASP 7 Cb 1.25 0.16 -0.12 0.00 0.22 0.00 0.00 39.33 40.83 2c1t h ASP 7 CO 0.57 -0.15 0.03 0.00 -1.72 0.00 0.00 179.24 177.96 2c1t s ALA 8 N -5.68 -1.15 -0.34 3.45 0.00 -1.26 -5.13 121.76 111.66 2c1t s ALA 8 Ca -0.10 0.11 -0.27 0.00 0.00 0.00 0.00 51.96 51.70 2c1t s ALA 8 Cb 0.30 0.77 0.01 0.00 0.00 0.00 0.00 23.12 24.21 2c1t s ALA 8 CO 0.79 -0.70 0.98 -1.14 0.00 0.00 0.00 175.76 175.68 2c1t s GLN 9 N -3.79 3.96 0.61 0.00 0.74 -1.26 -5.03 119.66 114.88 2c1t s GLN 9 Ca 0.03 0.80 -0.14 0.00 0.05 0.00 0.00 55.36 56.10 2c1t s GLN 9 Cb 0.01 -3.76 -0.04 0.00 1.10 0.00 0.00 33.01 30.32 2c1t s GLN 9 CO -0.11 -0.90 1.04 0.96 -0.55 0.00 0.00 175.29 175.73 2c1t s ILE 10 N 3.50 4.16 0.05 -2.34 -4.36 -1.26 -5.06 121.20 115.89 2c1t s ILE 10 Ca 0.41 0.89 -0.10 0.00 -0.26 0.00 0.00 60.65 61.59 2c1t s ILE 10 Cb -0.12 -3.53 0.00 0.00 1.25 0.00 0.00 42.46 40.06 2c1t s ILE 10 CO 0.17 -0.73 0.21 -1.10 0.24 0.00 0.00 174.94 173.72 2c1t s GLN 11 N -4.48 0.73 0.26 0.37 -0.21 -1.26 -5.03 119.66 110.05 2c1t s GLN 11 Ca 0.60 -0.68 -0.04 0.00 0.02 0.00 0.00 55.36 55.26 2c1t s GLN 11 Cb -0.13 0.30 0.33 0.00 1.00 0.00 0.00 33.01 34.51 2c1t s GLN 11 CO 0.43 -0.22 1.92 -0.09 -2.12 0.00 0.00 175.29 175.21 2c1t h ARG 12 N 3.30 1.24 -0.22 2.91 2.43 -1.97 -0.94 114.38 121.13 2c1t h ARG 12 Ca -0.32 -0.07 -0.20 0.00 -0.81 0.00 0.00 59.98 58.57 2c1t h ARG 12 Cb 1.19 -0.28 0.00 0.00 -0.42 0.00 0.00 29.97 30.47 2c1t h ARG 12 CO 0.49 0.82 -0.66 0.93 -1.51 0.00 0.00 179.97 180.04 2c1t h GLU 13 N 1.28 0.81 0.00 0.20 3.07 -2.03 -3.37 114.58 114.54 2c1t h GLU 13 Ca 0.38 -0.59 -0.33 0.00 -0.50 0.00 0.00 59.36 58.33 2c1t h GLU 13 Cb -0.05 0.10 -0.06 0.00 -0.84 0.00 0.00 28.75 27.90 2c1t h GLU 13 CO -0.11 1.21 -2.24 0.25 -1.40 0.00 0.00 179.01 176.72 2c1t n THR 14 N -3.97 1.24 -1.66 1.13 -2.24 -1.14 -4.96 114.28 102.69 2c1t n THR 14 Ca -0.06 -0.72 -0.47 0.00 -2.27 0.00 0.00 64.05 60.54 2c1t n THR 14 Cb 0.69 -0.65 -0.04 0.00 -2.10 0.00 0.00 70.33 68.23 2c1t n THR 14 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2c1t n TYR 15 N -2.74 2.18 -4.53 4.78 9.36 -0.37 -4.99 117.16 120.85 2c1t n TYR 15 Ca -0.31 0.31 -0.24 0.00 3.32 0.00 0.00 57.90 60.99 2c1t n TYR 15 Cb 1.06 -2.52 -0.16 0.00 -0.63 0.00 0.00 39.34 37.09 2c1t n TYR 15 CO 0.00 0.00 0.00 0.34 0.22 0.00 0.00 176.86 177.42 2c1t s ASP 16 N 0.87 1.63 -0.00 2.98 -1.08 -1.26 -4.97 116.67 114.84 2c1t s ASP 16 Ca 0.79 -0.27 0.14 0.00 -0.52 0.00 0.00 52.55 52.69 2c1t s ASP 16 Cb -0.71 -0.71 -0.16 0.00 -1.46 0.00 0.00 42.92 39.87 2c1t s ASP 16 CO 0.39 0.03 0.54 -1.54 0.52 0.00 0.00 175.17 175.11 2c1t n SER 17 N 3.75 0.84 -3.30 -0.34 3.41 -1.26 -5.21 113.62 111.51 2c1t n SER 17 Ca -0.23 -0.68 -0.26 0.00 -0.26 0.00 0.00 58.87 57.45 2c1t n SER 17 Cb 0.52 1.11 -0.08 0.00 -0.26 0.00 0.00 64.21 65.50 2c1t n SER 17 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 2c1t n ASN 18 N -1.44 0.02 0.00 4.04 4.13 -1.26 -5.38 115.26 115.37 2c1t n ASN 18 Ca 0.02 -2.58 0.00 0.00 1.68 0.00 0.00 54.58 53.70 2c1t n ASN 18 Cb 0.24 -0.60 0.00 0.00 -1.54 0.00 0.00 39.78 37.88 2c1t n ASN 18 CO 0.00 0.00 0.00 0.41 0.28 0.00 0.00 177.26 177.95 2c1t n THR 28 N 2.05 0.00 -3.88 3.41 -1.04 -1.26 -5.30 114.28 108.26 2c1t n THR 28 Ca 0.25 0.00 -0.36 0.00 -2.04 0.00 0.00 64.05 61.90 2c1t n THR 28 Cb 0.50 0.00 -0.07 0.00 -1.82 0.00 0.00 70.33 68.94 2c1t n THR 28 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 2c1t s LYS 29 N -2.00 3.65 0.58 -2.82 1.02 -1.26 -5.11 119.74 113.80 2c1t s LYS 29 Ca 0.00 -0.19 -0.10 0.00 0.02 0.00 0.00 55.97 55.70 2c1t s LYS 29 Cb 0.00 -3.23 0.14 0.00 -0.52 0.00 0.00 37.83 34.22 2c1t s LYS 29 CO 0.00 0.61 0.55 0.28 -0.92 0.00 0.00 175.35 175.87 2c1t n VAL 30 N 2.52 0.00 -2.78 3.17 0.31 -1.26 -5.09 118.33 115.20 2c1t n VAL 30 Ca -0.19 -0.27 -0.21 0.00 -0.01 0.00 0.00 64.34 63.67 2c1t n VAL 30 Cb 0.54 -1.22 0.03 0.00 -0.91 0.00 0.00 33.84 32.28 2c1t n VAL 30 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2c1t s ALA 31 N -3.16 4.00 -0.05 3.52 0.00 -1.26 -5.06 121.76 119.75 2c1t s ALA 31 Ca 0.35 -1.36 -0.25 0.00 0.00 0.00 0.00 51.96 50.70 2c1t s ALA 31 Cb -0.03 -1.99 -0.20 0.00 0.00 0.00 0.00 23.12 20.89 2c1t s ALA 31 CO 0.26 -0.59 1.08 0.66 0.00 0.00 0.00 175.76 177.17 2c1t h SER 32 N 0.24 -0.05 0.00 0.00 4.64 -1.99 -3.48 113.55 112.92 2c1t h SER 32 Ca -0.42 -0.56 0.00 0.00 -0.47 0.00 0.00 61.79 60.34 2c1t h SER 32 Cb 1.29 0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.39 2c1t h SER 32 CO 0.52 0.56 0.00 -0.24 -0.87 0.00 0.00 176.83 176.80 2c1t n SER 33 N -4.82 0.00 0.13 4.97 2.88 -1.26 -4.85 113.62 110.67 2c1t n SER 33 Ca -0.09 0.00 -0.15 0.00 -1.33 0.00 0.00 58.87 57.30 2c1t n SER 33 Cb 0.30 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 63.67 2c1t n SER 33 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2c1t h ALA 34 N 0.00 -0.99 -0.55 -1.46 0.00 -2.02 -3.26 119.26 110.97 2c1t h ALA 34 Ca 0.00 -0.12 -0.19 0.00 0.00 0.00 0.00 54.91 54.60 2c1t h ALA 34 Cb 0.00 0.84 -0.12 0.00 0.00 0.00 0.00 17.79 18.52 2c1t h ALA 34 CO 0.00 -1.10 0.25 0.28 0.00 0.00 0.00 179.25 178.67 2c1t n VAL 35 N -5.25 2.24 0.00 0.00 0.31 -1.26 -3.44 118.33 110.92 2c1t n VAL 35 Ca -0.08 -1.16 0.00 0.00 -0.01 0.00 0.00 64.34 63.09 2c1t n VAL 35 Cb 0.39 -0.51 0.00 0.00 -0.91 0.00 0.00 33.84 32.81 2c1t n VAL 35 CO 0.00 0.00 0.00 0.23 -1.32 0.00 0.00 176.83 175.74 2c1t n MET 36 N -0.14 1.10 0.06 5.55 2.81 -1.23 -4.40 117.12 120.86 2c1t n MET 36 Ca 0.31 0.00 0.01 0.00 -1.81 0.00 0.00 57.70 56.21 2c1t n MET 36 Cb 1.13 -0.92 -0.05 0.00 -0.71 0.00 0.00 33.22 32.66 2c1t n MET 36 CO 0.00 0.00 0.00 -2.95 1.51 0.00 0.00 175.97 174.53 2c1t h ASN 37 N 0.00 0.00 -0.19 7.83 7.08 -1.71 -3.37 115.58 125.22 2c1t h ASN 37 Ca 0.00 0.00 -0.05 0.00 -3.08 0.00 0.00 56.30 53.17 2c1t h ASN 37 Cb 0.06 0.00 -0.03 0.00 -2.08 0.00 0.00 38.32 36.27 2c1t h ASN 37 CO 0.00 0.53 0.06 -2.11 -2.08 0.00 0.00 177.43 173.83 2c1t n ARG 38 N -2.96 1.79 -3.98 4.14 -4.01 -1.22 -4.86 116.66 105.55 2c1t n ARG 38 Ca -0.06 -0.82 -0.09 0.00 -1.04 0.00 0.00 57.85 55.84 2c1t n ARG 38 Cb 0.80 -1.57 -0.11 0.00 -3.04 0.00 0.00 32.46 28.54 2c1t n ARG 38 CO 0.00 0.00 0.00 1.03 -3.04 0.00 0.00 177.63 175.62 2c1t s ARG 39 N -1.26 0.33 -0.55 2.89 0.52 -1.26 -4.99 118.95 114.63 2c1t s ARG 39 Ca 0.15 -0.62 -0.16 0.00 -0.52 0.00 0.00 55.73 54.57 2c1t s ARG 39 Cb 0.12 0.12 0.13 0.00 0.52 0.00 0.00 34.95 35.84 2c1t s ARG 39 CO 0.04 -0.06 0.52 0.21 0.02 0.00 0.00 175.30 176.03 2c1t s LYS 40 N -1.56 3.01 -0.59 3.54 2.47 -1.26 -4.95 119.74 120.40 2c1t s LYS 40 Ca -0.15 -1.72 -0.20 0.00 -1.56 0.00 0.00 55.97 52.34 2c1t s LYS 40 Cb -0.09 -4.30 0.09 0.00 -1.46 0.00 0.00 37.83 32.06 2c1t s LYS 40 CO -0.01 -1.34 0.76 0.42 0.16 0.00 0.00 175.35 175.35 2c1t s ILE 41 N 1.59 4.69 0.14 5.43 1.01 -1.26 -5.03 121.20 127.76 2c1t s ILE 41 Ca 0.04 -0.71 -0.31 0.00 0.00 0.00 0.00 60.65 59.66 2c1t s ILE 41 Cb -0.29 -4.51 -0.09 0.00 0.01 0.00 0.00 42.46 37.58 2c1t s ILE 41 CO 0.03 -1.16 1.52 0.00 0.00 0.00 0.00 174.94 175.33 2c1t s ALA 42 N 3.06 3.71 -0.07 9.38 0.00 -1.26 -5.00 121.76 131.57 2c1t s ALA 42 Ca 0.15 1.26 -0.12 0.00 0.00 0.00 0.00 51.96 53.26 2c1t s ALA 42 Cb -0.21 -3.60 -0.05 0.00 0.00 0.00 0.00 23.12 19.26 2c1t s ALA 42 CO 0.09 -0.76 0.30 -1.64 0.00 0.00 0.00 175.76 173.75 2c1t s MET 43 N 1.31 3.84 0.00 0.00 -1.94 -1.26 -5.06 119.30 116.19 2c1t s MET 43 Ca 0.69 0.18 0.00 0.00 -1.71 0.00 0.00 55.69 54.85 2c1t s MET 43 Cb -0.41 -3.25 0.00 0.00 2.01 0.00 0.00 34.83 33.18 2c1t s MET 43 CO 0.31 0.63 0.74 -2.30 -0.01 0.00 0.00 175.02 174.39 2c1t n PRO 44 N 2.23 0.00 0.00 2.03 -0.01 -1.26 -4.96 135.00 133.03 2c1t n PRO 44 Ca -0.15 0.50 0.00 0.00 -0.01 0.00 0.00 63.50 63.84 2c1t n PRO 44 Cb 0.53 -1.24 0.00 0.00 -0.01 0.00 0.00 33.50 32.78 2c1t n PRO 44 CO 0.00 0.00 0.00 1.17 -0.01 0.00 0.00 175.50 176.66 2c1t n LYS 45 N -1.61 0.00 -0.31 -0.52 0.00 -1.26 -5.35 118.16 109.11 2c1t n LYS 45 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.31 2c1t n LYS 45 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.03 2c1t n LYS 45 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94