#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i2u s LYS 2 N 0.00 4.25 -0.23 -1.24 2.47 0.18 -4.78 119.74 120.38 1i2u s LYS 2 Ca 0.00 0.89 -0.08 0.00 -1.56 0.00 0.00 55.97 55.22 1i2u s LYS 2 Cb 0.00 -2.81 -0.03 0.00 -1.46 0.00 0.00 37.83 33.53 1i2u s LYS 2 CO 0.00 0.35 0.08 -1.17 0.16 0.00 0.00 175.35 174.77 1i2u s LEU 3 N -2.12 3.59 0.00 5.43 2.96 -1.26 0.86 118.68 128.14 1i2u s LEU 3 Ca 0.45 -0.11 0.00 0.00 -0.22 0.00 0.00 54.13 54.25 1i2u s LEU 3 Cb -0.16 -1.95 0.00 0.00 0.50 0.00 0.00 46.19 44.58 1i2u s LEU 3 CO 0.21 0.02 0.06 2.30 -1.32 0.00 0.00 176.35 177.62 1i2u n ILE 4 N 4.55 0.00 -3.93 6.68 -6.64 -1.19 -4.98 119.36 113.84 1i2u n ILE 4 Ca -0.16 -0.44 0.00 0.00 -1.77 0.00 0.00 62.75 60.39 1i2u n ILE 4 Cb 0.52 1.02 0.01 0.00 -1.44 0.00 0.00 39.64 39.75 1i2u n ILE 4 CO 0.00 0.00 0.00 -0.83 -1.77 0.00 0.00 176.55 173.95 1i2u s GLY 5 N -0.76 -0.05 0.54 3.28 0.00 -1.24 -5.03 107.32 104.06 1i2u s GLY 5 Ca 0.00 -0.07 0.05 0.00 0.00 0.00 0.00 44.72 44.70 1i2u s GLY 5 CO 0.00 4.21 0.74 1.44 0.00 0.00 0.00 173.10 179.49 1i2u n SER 6 N -1.10 1.56 -0.73 1.64 7.64 -0.62 -1.02 113.62 121.00 1i2u n SER 6 Ca 0.01 -2.18 -0.00 0.00 1.01 0.00 0.00 58.87 57.70 1i2u n SER 6 Cb 0.59 -0.43 -0.00 0.00 -1.01 0.00 0.00 64.21 63.36 1i2u n SER 6 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1i2u h VAL 8 N 6.26 0.00 -5.21 0.00 2.07 -1.49 -3.34 116.25 114.54 1i2u h VAL 8 Ca -0.10 -0.86 0.00 0.00 0.82 0.00 0.00 66.70 66.56 1i2u h VAL 8 Cb 1.38 1.66 0.00 0.00 -1.52 0.00 0.00 31.29 32.81 1i2u h VAL 8 CO -0.01 0.00 -0.03 1.87 0.02 0.00 0.00 177.57 179.42 1i2u n TRP 9 N -2.73 -2.83 0.00 1.57 -0.00 -1.26 -4.80 117.44 107.38 1i2u n TRP 9 Ca 0.03 1.08 0.00 0.00 -0.00 0.00 0.00 57.50 58.61 1i2u n TRP 9 Cb 0.51 -3.95 0.00 0.00 -0.00 0.00 0.00 31.31 27.87 1i2u n TRP 9 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 1i2u n GLY 10 N -1.62 0.51 3.81 5.87 0.00 -1.26 -5.13 105.19 107.36 1i2u n GLY 10 Ca 0.01 -0.03 -0.30 0.00 0.00 0.00 0.00 46.02 45.69 1i2u n GLY 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i2u s ALA 11 N 0.00 2.42 -0.15 4.61 0.00 -1.26 -4.90 121.76 122.47 1i2u s ALA 11 Ca 0.00 -0.08 -0.02 0.00 0.00 0.00 0.00 51.96 51.86 1i2u s ALA 11 Cb 0.00 -3.14 0.02 0.00 0.00 0.00 0.00 23.12 20.01 1i2u s ALA 11 CO 0.00 -1.53 2.39 1.55 0.00 0.00 0.00 175.76 178.17 1i2u n VAL 12 N -3.32 2.58 -1.99 0.00 3.14 -1.26 -3.48 118.33 113.99 1i2u n VAL 12 Ca 0.07 -1.33 0.00 0.00 -2.96 0.00 0.00 64.34 60.12 1i2u n VAL 12 Cb 0.55 -1.55 0.00 0.00 -1.06 0.00 0.00 33.84 31.78 1i2u n VAL 12 CO 0.00 0.00 0.00 0.59 -6.46 0.00 0.00 176.83 170.96 1i2u n ASN 13 N 1.25 0.00 -4.77 6.55 4.13 -1.26 -5.09 115.26 116.07 1i2u n ASN 13 Ca 0.23 -1.16 -0.39 0.00 1.68 0.00 0.00 54.58 54.94 1i2u n ASN 13 Cb 0.61 -0.03 -0.03 0.00 -1.54 0.00 0.00 39.78 38.79 1i2u n ASN 13 CO 0.00 0.00 0.00 -0.47 0.28 0.00 0.00 177.26 177.07 1i2u s TYR 14 N 0.00 3.20 -0.40 3.10 5.04 -1.23 -1.59 117.35 125.47 1i2u s TYR 14 Ca 0.00 1.58 -0.16 0.00 -2.44 0.00 0.00 57.07 56.05 1i2u s TYR 14 Cb 0.00 -3.37 0.01 0.00 0.35 0.00 0.00 41.96 38.95 1i2u s TYR 14 CO 0.00 -1.13 0.35 0.95 -1.34 0.00 0.00 175.55 174.38 1i2u s THR 15 N -1.35 5.19 0.24 4.34 -4.23 -1.23 -4.88 115.64 113.72 1i2u s THR 15 Ca 0.53 -0.44 -0.06 0.00 -1.18 0.00 0.00 61.69 60.54 1i2u s THR 15 Cb -0.31 -3.95 0.22 0.00 1.34 0.00 0.00 72.50 69.80 1i2u s THR 15 CO 0.40 -0.31 1.87 -1.28 -0.54 0.00 0.00 174.62 174.76 1i2u h SER 16 N 8.64 0.92 -3.53 3.99 0.87 -1.95 -3.32 113.55 119.18 1i2u h SER 16 Ca -0.27 0.00 -0.61 0.00 -1.23 0.00 0.00 61.79 59.68 1i2u h SER 16 Cb 1.12 -0.20 -0.40 0.00 -0.44 0.00 0.00 62.40 62.48 1i2u h SER 16 CO 0.74 0.62 -0.73 -0.62 -0.53 0.00 0.00 176.83 176.32 1i2u s ASP 17 N -5.87 3.83 0.14 6.23 -1.08 -1.26 -5.01 116.67 113.65 1i2u s ASP 17 Ca -0.13 -2.47 -0.32 0.00 -0.52 0.00 0.00 52.55 49.12 1i2u s ASP 17 Cb 0.18 -1.09 -0.08 0.00 -1.46 0.00 0.00 42.92 40.47 1i2u s ASP 17 CO 0.80 -0.29 1.55 0.00 0.52 0.00 0.00 175.17 177.74 1i2u h ASN 19 N -0.29 0.21 0.40 0.00 -0.00 -1.93 -1.30 115.58 112.67 1i2u h ASN 19 Ca 0.11 -0.06 -0.01 0.00 -0.00 0.00 0.00 56.30 56.34 1i2u h ASN 19 Cb 0.55 -0.06 -0.02 0.00 -0.00 0.00 0.00 38.32 38.80 1i2u h ASN 19 CO -0.68 0.45 -0.37 1.23 -0.00 0.00 0.00 177.43 178.06 1i2u h GLY 20 N 0.91 -0.89 1.00 1.57 0.00 -1.33 0.20 103.07 104.52 1i2u h GLY 20 Ca 0.03 0.43 0.00 0.00 0.00 0.00 0.00 47.33 47.79 1i2u h GLY 20 CO 0.04 -0.31 0.05 -2.09 0.00 0.00 0.00 176.54 174.22 1i2u h GLU 21 N -0.78 0.09 -0.57 4.80 4.57 -0.97 -1.36 114.58 120.36 1i2u h GLU 21 Ca -0.03 -0.01 0.11 0.00 -1.18 0.00 0.00 59.36 58.26 1i2u h GLU 21 Cb 0.70 -0.02 -0.11 0.00 -0.16 0.00 0.00 28.75 29.16 1i2u h GLU 21 CO -0.05 0.06 -0.12 0.00 -1.18 0.00 0.00 179.01 177.72 1i2u h LYS 23 N 0.01 0.38 -0.17 0.00 1.57 -0.27 0.24 116.57 118.34 1i2u h LYS 23 Ca 0.28 -0.02 0.05 0.00 -1.87 0.00 0.00 60.65 59.08 1i2u h LYS 23 Cb 0.42 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.64 1i2u h LYS 23 CO -0.57 0.25 0.18 -0.09 -0.57 0.00 0.00 179.45 178.65 1i2u h ARG 24 N 0.39 0.00 -0.27 3.15 1.12 0.42 0.34 114.38 119.53 1i2u h ARG 24 Ca 0.17 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 59.04 1i2u h ARG 24 Cb 0.08 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.04 1i2u h ARG 24 CO -0.12 0.00 0.00 0.54 -3.11 0.00 0.00 179.97 177.28 1i2u n ARG 25 N -3.86 1.69 -1.17 0.20 5.12 0.73 -4.86 116.66 114.51 1i2u n ARG 25 Ca 0.01 -1.07 -0.06 0.00 -1.93 0.00 0.00 57.85 54.80 1i2u n ARG 25 Cb 0.30 -1.28 -0.03 0.00 -1.16 0.00 0.00 32.46 30.30 1i2u n ARG 25 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1i2u n GLY 26 N 1.02 0.77 4.00 -0.13 0.00 0.12 -4.99 105.19 105.97 1i2u n GLY 26 Ca 0.12 -0.30 -0.22 0.00 0.00 0.00 0.00 46.02 45.61 1i2u n GLY 26 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1i2u s TYR 27 N -1.99 1.83 -0.03 1.61 2.02 -0.42 -5.00 117.35 115.37 1i2u s TYR 27 Ca 0.00 -0.30 -0.06 0.00 -0.37 0.00 0.00 57.07 56.34 1i2u s TYR 27 Cb 0.00 -2.81 -0.03 0.00 -0.40 0.00 0.00 41.96 38.72 1i2u s TYR 27 CO 0.00 -1.43 0.37 0.87 -1.57 0.00 0.00 175.55 173.79 1i2u h LYS 28 N -0.27 -0.21 0.00 -0.62 1.57 -1.87 -3.37 116.57 111.79 1i2u h LYS 28 Ca -0.36 0.01 0.12 0.00 -1.87 0.00 0.00 60.65 58.55 1i2u h LYS 28 Cb 1.28 0.05 -0.02 0.00 0.08 0.00 0.00 32.23 33.61 1i2u h LYS 28 CO 0.43 -0.14 0.31 0.41 -0.57 0.00 0.00 179.45 179.89 1i2u n GLY 29 N 0.97 0.56 0.00 3.86 0.00 -1.26 -4.61 105.19 104.70 1i2u n GLY 29 Ca -0.03 -0.92 0.00 0.00 0.00 0.00 0.00 46.02 45.07 1i2u n GLY 29 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1i2u n GLY 30 N -0.32 2.06 3.86 -0.02 0.00 -1.26 -0.50 105.19 109.01 1i2u n GLY 30 Ca 0.01 -0.89 -0.05 0.00 0.00 0.00 0.00 46.02 45.09 1i2u n GLY 30 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1i2u s HIS 31 N -6.14 0.07 0.50 1.61 -3.43 0.15 -4.37 115.29 103.67 1i2u s HIS 31 Ca 0.00 -0.53 -0.16 0.00 -0.80 0.00 0.00 55.06 53.57 1i2u s HIS 31 Cb 0.00 0.73 -0.08 0.00 -1.43 0.00 0.00 32.58 31.81 1i2u s HIS 31 CO 0.00 -1.08 0.96 0.00 -2.00 0.00 0.00 174.74 172.61 1i2u n GLY 33 N -1.52 -1.64 1.36 0.00 0.00 0.38 -4.69 105.19 99.08 1i2u n GLY 33 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 1i2u n GLY 33 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1i2u n SER 34 N 0.00 0.00 -4.72 1.61 7.64 -1.26 -5.01 113.62 111.87 1i2u n SER 34 Ca 0.00 0.00 -0.41 0.00 1.01 0.00 0.00 58.87 59.47 1i2u n SER 34 Cb 0.00 0.34 -0.04 0.00 -1.01 0.00 0.00 64.21 63.50 1i2u n SER 34 CO 0.00 0.00 0.00 0.12 -3.01 0.00 0.00 175.04 172.15 1i2u s PHE 35 N -0.94 3.61 0.00 1.43 2.19 -1.26 -3.67 117.98 119.34 1i2u s PHE 35 Ca 0.00 1.58 0.00 0.00 0.33 0.00 0.00 56.93 58.84 1i2u s PHE 35 Cb 0.00 -3.24 0.00 0.00 -1.31 0.00 0.00 43.02 38.47 1i2u s PHE 35 CO 0.00 -0.51 0.00 0.00 1.83 0.00 0.00 175.22 176.54 1i2u n ALA 36 N 3.16 -0.58 -3.02 11.12 0.00 -1.26 -3.53 120.51 126.40 1i2u n ALA 36 Ca 0.05 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.49 1i2u n ALA 36 Cb 0.48 -0.39 -0.00 0.00 0.00 0.00 0.00 19.45 19.54 1i2u n ALA 36 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1i2u n ASN 37 N -0.48 -6.94 -0.06 0.00 3.02 -1.24 -4.73 115.26 104.82 1i2u n ASN 37 Ca 0.00 0.80 -0.11 0.00 -0.03 0.00 0.00 54.58 55.24 1i2u n ASN 37 Cb 0.29 -2.91 -0.05 0.00 -0.61 0.00 0.00 39.78 36.50 1i2u n ASN 37 CO 0.00 0.00 0.00 0.55 -2.62 0.00 0.00 177.26 175.19 1i2u n VAL 38 N 1.17 0.69 -4.19 2.41 3.14 -1.23 -2.02 118.33 118.30 1i2u n VAL 38 Ca -0.01 -0.22 -0.16 0.00 -2.96 0.00 0.00 64.34 60.99 1i2u n VAL 38 Cb 0.32 -1.29 -0.14 0.00 -1.06 0.00 0.00 33.84 31.67 1i2u n VAL 38 CO 0.00 0.00 0.00 0.20 -6.46 0.00 0.00 176.83 170.57 1i2u s ASN 39 N -5.64 0.76 -0.38 6.55 0.01 -1.26 0.07 114.94 115.05 1i2u s ASN 39 Ca -0.17 -0.18 -0.18 0.00 -0.71 0.00 0.00 52.86 51.63 1i2u s ASN 39 Cb 0.05 -0.06 0.01 0.00 0.41 0.00 0.00 41.25 41.66 1i2u s ASN 39 CO 0.25 0.04 0.47 0.00 -1.51 0.00 0.00 177.10 176.35 1i2u s TRP 41 N 2.29 3.45 0.30 0.00 0.52 0.15 -3.14 118.94 122.51 1i2u s TRP 41 Ca 0.16 0.29 0.07 0.00 0.02 0.00 0.00 56.10 56.63 1i2u s TRP 41 Cb -0.16 -1.78 -0.03 0.00 -1.15 0.00 0.00 33.47 30.35 1i2u s TRP 41 CO 0.14 0.61 0.28 0.00 0.02 0.00 0.00 176.95 178.00 1i2u n GLU 43 N -1.34 2.36 0.00 0.00 -0.58 0.35 0.11 120.64 121.54 1i2u n GLU 43 Ca -0.04 -3.12 0.04 0.00 -0.42 0.00 0.00 57.16 53.61 1i2u n GLU 43 Cb 0.59 -2.19 0.03 0.00 -0.57 0.00 0.00 31.44 29.30 1i2u n GLU 43 CO 0.00 0.00 0.00 -2.37 -0.48 0.00 0.00 177.13 174.28