#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 3.33 -0.41 -1.24 2.36 -0.24 -4.80 119.74 118.75 1i2u s LYS 2 Ca 0.00 -0.68 -0.26 0.00 -2.55 0.00 0.00 55.97 52.48 1i2u s LYS 2 Cb 0.00 -2.78 0.02 0.00 -1.05 0.00 0.00 37.83 34.02 1i2u s LYS 2 CO 0.00 -0.01 0.94 -1.17 1.55 0.00 0.00 175.35 176.66 1i2u s LEU 3 N 0.94 3.97 -0.03 5.43 2.96 -1.26 0.10 118.68 130.79 1i2u s LEU 3 Ca -0.02 0.40 0.08 0.00 -0.22 0.00 0.00 54.13 54.37 1i2u s LEU 3 Cb -0.15 -3.26 0.20 0.00 0.50 0.00 0.00 46.19 43.48 1i2u s LEU 3 CO -0.01 -0.96 1.16 2.30 -1.32 0.00 0.00 176.35 177.52 1i2u n ILE 4 N 6.21 1.24 0.00 6.68 -5.35 -1.13 -4.99 119.36 122.01 1i2u n ILE 4 Ca 0.07 -1.24 0.00 0.00 -0.27 0.00 0.00 62.75 61.32 1i2u n ILE 4 Cb 0.48 0.34 0.00 0.00 -1.74 0.00 0.00 39.64 38.72 1i2u n ILE 4 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1i2u n GLY 5 N -0.23 -0.42 3.76 3.28 0.00 -1.26 -4.97 105.19 105.36 1i2u n GLY 5 Ca 0.08 -1.06 -0.27 0.00 0.00 0.00 0.00 46.02 44.77 1i2u n GLY 5 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1i2u n SER 6 N 0.00 2.86 -0.90 1.61 2.88 0.19 -1.02 113.62 119.24 1i2u n SER 6 Ca 0.00 -2.94 0.05 0.00 -1.33 0.00 0.00 58.87 54.65 1i2u n SER 6 Cb 0.00 0.02 0.12 0.00 -0.75 0.00 0.00 64.21 63.61 1i2u n SER 6 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1i2u s VAL 8 N -1.80 4.77 -0.92 0.00 1.01 -1.26 -4.28 120.40 117.93 1i2u s VAL 8 Ca 0.34 -2.84 -0.23 0.00 0.00 0.00 0.00 61.98 59.24 1i2u s VAL 8 Cb 0.35 -3.99 -0.23 0.00 0.00 0.00 0.00 36.38 32.51 1i2u s VAL 8 CO -0.10 -0.98 2.47 1.87 0.00 0.00 0.00 175.10 178.36 1i2u n TRP 9 N 3.56 0.55 0.00 5.22 -0.00 -1.26 -0.32 117.44 125.20 1i2u n TRP 9 Ca 0.13 0.20 0.00 0.00 -0.00 0.00 0.00 57.50 57.82 1i2u n TRP 9 Cb 0.42 -1.86 0.00 0.00 -0.00 0.00 0.00 31.31 29.87 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 6.16 1.42 3.81 5.87 0.00 -1.26 -5.13 105.19 116.07 1i2u n GLY 10 Ca 0.61 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 46.32 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 2.72 -0.20 4.61 0.00 0.57 -4.91 121.76 124.54 1i2u s ALA 11 Ca 0.00 0.19 -0.03 0.00 0.00 0.00 0.00 51.96 52.12 1i2u s ALA 11 Cb 0.00 -3.19 -0.02 0.00 0.00 0.00 0.00 23.12 19.91 1i2u s ALA 11 CO 0.00 -1.04 2.73 0.28 0.00 0.00 0.00 175.76 177.73 1i2u n VAL 12 N -2.69 2.87 -1.85 0.00 0.31 -1.26 -3.55 118.33 112.16 1i2u n VAL 12 Ca 0.08 -1.79 0.00 0.00 -0.01 0.00 0.00 64.34 62.61 1i2u n VAL 12 Cb 0.53 -1.64 0.00 0.00 -0.91 0.00 0.00 33.84 31.82 1i2u n VAL 12 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 1i2u n ASN 13 N 1.37 0.00 -4.77 4.52 4.13 -1.26 -5.05 115.26 114.20 1i2u n ASN 13 Ca 0.34 -1.06 -0.38 0.00 1.68 0.00 0.00 54.58 55.16 1i2u n ASN 13 Cb 0.66 -0.01 -0.04 0.00 -1.54 0.00 0.00 39.78 38.85 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 3.40 -0.40 3.10 5.04 -1.23 0.55 117.35 127.81 1i2u s TYR 14 Ca 0.00 1.67 -0.03 0.00 -2.44 0.00 0.00 57.07 56.27 1i2u s TYR 14 Cb 0.00 -3.19 0.11 0.00 0.35 0.00 0.00 41.96 39.23 1i2u s TYR 14 CO 0.00 -0.58 0.19 0.95 -1.34 0.00 0.00 175.55 174.77 1i2u s THR 15 N -1.45 3.29 0.21 4.34 -4.23 -1.19 -4.85 115.64 111.77 1i2u s THR 15 Ca 0.52 -1.99 -0.09 0.00 -1.18 0.00 0.00 61.69 58.95 1i2u s THR 15 Cb -0.26 -3.23 0.16 0.00 1.34 0.00 0.00 72.50 70.51 1i2u s THR 15 CO 0.33 -0.65 1.73 -1.28 -0.54 0.00 0.00 174.62 174.21 1i2u h SER 16 N 8.06 0.18 -3.58 3.99 0.87 -1.95 -3.25 113.55 117.87 1i2u h SER 16 Ca -0.14 0.09 -0.62 0.00 -1.23 0.00 0.00 61.79 59.89 1i2u h SER 16 Cb 1.05 0.08 -0.41 0.00 -0.44 0.00 0.00 62.40 62.69 1i2u h SER 16 CO 0.69 0.10 -0.68 -0.62 -0.53 0.00 0.00 176.83 175.79 1i2u s ASP 17 N -5.36 4.01 0.17 6.23 -1.08 -1.26 -4.96 116.67 114.41 1i2u s ASP 17 Ca -0.13 -3.13 -0.20 0.00 -0.52 0.00 0.00 52.55 48.57 1i2u s ASP 17 Cb 0.18 -1.35 0.08 0.00 -1.46 0.00 0.00 42.92 40.37 1i2u s ASP 17 CO 0.75 -0.20 1.63 0.00 0.52 0.00 0.00 175.17 177.87 1i2u h ASN 19 N -0.15 0.19 0.32 0.00 -0.00 -1.59 -0.42 115.58 113.93 1i2u h ASN 19 Ca 0.18 -0.08 -0.00 0.00 -0.00 0.00 0.00 56.30 56.40 1i2u h ASN 19 Cb 0.44 -0.05 -0.01 0.00 -0.00 0.00 0.00 38.32 38.69 1i2u h ASN 19 CO -0.47 0.58 -0.25 1.23 -0.00 0.00 0.00 177.43 178.52 1i2u h GLY 20 N 1.21 -0.60 0.82 1.57 0.00 -1.43 0.28 103.07 104.93 1i2u h GLY 20 Ca 0.01 0.28 -0.00 0.00 0.00 0.00 0.00 47.33 47.63 1i2u h GLY 20 CO 0.06 -0.24 -0.02 -2.09 0.00 0.00 0.00 176.54 174.25 1i2u h GLU 21 N -0.57 -0.05 -0.54 4.80 4.57 -1.05 -0.82 114.58 120.91 1i2u h GLU 21 Ca -0.02 0.00 0.11 0.00 -1.18 0.00 0.00 59.36 58.27 1i2u h GLU 21 Cb 0.50 0.01 -0.11 0.00 -0.16 0.00 0.00 28.75 29.00 1i2u h GLU 21 CO -0.01 0.14 -0.25 0.00 -1.18 0.00 0.00 179.01 177.71 1i2u h LYS 23 N -0.12 0.95 -0.18 0.00 1.63 -0.33 0.18 116.57 118.70 1i2u h LYS 23 Ca 0.24 -0.06 0.05 0.00 -0.85 0.00 0.00 60.65 60.03 1i2u h LYS 23 Cb 0.50 -0.21 -0.01 0.00 -0.60 0.00 0.00 32.23 31.91 1i2u h LYS 23 CO -0.61 0.64 0.20 -0.09 -3.45 0.00 0.00 179.45 176.13 1i2u h ARG 24 N 0.97 0.00 -0.61 1.90 2.43 0.10 0.24 114.38 119.41 1i2u h ARG 24 Ca 0.26 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.43 1i2u h ARG 24 Cb -0.09 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.46 1i2u h ARG 24 CO -0.05 0.00 0.00 0.54 -1.51 0.00 0.00 179.97 178.95 1i2u n ARG 25 N -3.83 2.94 -0.99 0.20 1.74 0.48 -4.87 116.66 112.33 1i2u n ARG 25 Ca 0.02 -2.04 0.00 0.00 -0.77 0.00 0.00 57.85 55.05 1i2u n ARG 25 Cb 0.32 -1.71 0.00 0.00 -1.02 0.00 0.00 32.46 30.05 1i2u n ARG 25 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1i2u n GLY 26 N 0.91 0.34 3.94 -0.13 0.00 0.84 -5.00 105.19 106.08 1i2u n GLY 26 Ca 0.18 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.95 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 -1.70 2.75 -0.00 1.61 2.02 -0.37 -4.98 117.35 116.68 1i2u s TYR 27 Ca 0.00 0.37 -0.04 0.00 -0.37 0.00 0.00 57.07 57.03 1i2u s TYR 27 Cb 0.00 -3.22 -0.02 0.00 -0.40 0.00 0.00 41.96 38.32 1i2u s TYR 27 CO 0.00 -1.48 0.57 0.87 -1.57 0.00 0.00 175.55 173.94 1i2u h LYS 28 N -0.63 -0.14 -2.99 -0.62 6.56 -1.83 -3.36 116.57 113.57 1i2u h LYS 28 Ca -0.44 0.01 0.01 0.00 -1.06 0.00 0.00 60.65 59.17 1i2u h LYS 28 Cb 1.31 0.03 -0.01 0.00 -0.57 0.00 0.00 32.23 32.99 1i2u h LYS 28 CO 0.57 -0.09 0.27 0.20 -2.06 0.00 0.00 179.45 178.34 1i2u s GLY 29 N -1.75 0.25 -0.16 3.86 0.00 -1.26 -4.64 107.32 103.62 1i2u s GLY 29 Ca -0.02 -0.63 -0.30 0.00 0.00 0.00 0.00 44.72 43.77 1i2u s GLY 29 CO 0.06 -0.22 1.06 -0.32 0.00 0.00 0.00 173.10 173.68 1i2u s GLY 30 N -3.04 -0.25 0.22 0.20 0.00 -1.26 -0.19 107.32 103.00 1i2u s GLY 30 Ca 0.14 1.94 -0.22 0.00 0.00 0.00 0.00 44.72 46.58 1i2u s GLY 30 CO 0.10 0.88 0.90 -2.38 0.00 0.00 0.00 173.10 172.60 1i2u s HIS 31 N -1.56 -0.06 0.96 1.90 -3.43 0.29 -1.39 115.29 112.00 1i2u s HIS 31 Ca 0.02 -0.35 -0.12 0.00 -0.80 0.00 0.00 55.06 53.80 1i2u s HIS 31 Cb -0.01 0.70 0.16 0.00 -1.43 0.00 0.00 32.58 32.00 1i2u s HIS 31 CO -0.02 -1.05 1.11 0.00 -2.00 0.00 0.00 174.74 172.78 1i2u n GLY 33 N -1.58 -1.08 0.00 0.00 0.00 -1.13 -4.77 105.19 96.62 1i2u n GLY 33 Ca 0.06 0.48 0.00 0.00 0.00 0.00 0.00 46.02 46.56 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 0.01 -4.80 1.61 7.64 -1.26 -4.96 113.62 111.86 1i2u n SER 34 Ca 0.00 0.00 -0.38 0.00 1.01 0.00 0.00 58.87 59.50 1i2u n SER 34 Cb 0.00 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.14 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 1.02 3.66 -0.97 1.43 2.19 -1.26 -4.23 117.98 119.81 1i2u s PHE 35 Ca 0.00 0.93 -0.11 0.00 0.33 0.00 0.00 56.93 58.09 1i2u s PHE 35 Cb 0.00 -2.35 0.10 0.00 -1.31 0.00 0.00 43.02 39.46 1i2u s PHE 35 CO 0.00 0.51 0.32 0.00 1.83 0.00 0.00 175.22 177.87 1i2u n ALA 36 N 2.37 -1.08 -2.85 11.12 0.00 -1.26 -3.13 120.51 125.68 1i2u n ALA 36 Ca -0.12 -0.05 -0.04 0.00 0.00 0.00 0.00 53.44 53.22 1i2u n ALA 36 Cb 0.52 -1.73 0.01 0.00 0.00 0.00 0.00 19.45 18.25 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 -2.02 -7.75 0.00 0.00 4.13 -1.26 -4.96 115.26 103.40 1i2u n ASN 37 Ca 0.04 0.99 0.00 0.00 1.68 0.00 0.00 54.58 57.29 1i2u n ASN 37 Cb 0.49 -4.80 0.00 0.00 -1.54 0.00 0.00 39.78 33.93 1i2u n ASN 37 CO 0.00 0.00 0.00 1.33 0.28 0.00 0.00 177.26 178.87 1i2u n VAL 38 N 0.43 0.00 -4.08 2.41 0.24 -1.19 -4.00 118.33 112.14 1i2u n VAL 38 Ca 0.03 0.00 -0.13 0.00 -2.04 0.00 0.00 64.34 62.20 1i2u n VAL 38 Cb 0.22 -0.36 -0.11 0.00 -1.47 0.00 0.00 33.84 32.11 1i2u n VAL 38 CO 0.00 0.00 0.00 0.20 -2.14 0.00 0.00 176.83 174.89 1i2u s ASN 39 N -2.25 0.96 -0.20 -1.34 -0.87 -1.26 -0.91 114.94 109.06 1i2u s ASN 39 Ca 0.00 -0.58 -0.02 0.00 -1.57 0.00 0.00 52.86 50.70 1i2u s ASN 39 Cb 0.00 0.03 0.00 0.00 -0.02 0.00 0.00 41.25 41.26 1i2u s ASN 39 CO 0.00 -0.20 -0.11 0.00 -2.57 0.00 0.00 177.10 174.21 1i2u s TRP 41 N 1.29 2.89 0.31 0.00 0.52 0.17 -2.85 118.94 121.26 1i2u s TRP 41 Ca 0.04 -0.03 0.07 0.00 0.02 0.00 0.00 56.10 56.19 1i2u s TRP 41 Cb -0.14 -1.62 -0.03 0.00 -1.15 0.00 0.00 33.47 30.54 1i2u s TRP 41 CO -0.06 0.37 0.32 0.00 0.02 0.00 0.00 176.95 177.59 1i2u n GLU 43 N -1.39 2.83 0.00 0.00 -0.58 0.73 -1.07 120.64 121.15 1i2u n GLU 43 Ca -0.04 -3.50 0.00 0.00 -0.42 0.00 0.00 57.16 53.21 1i2u n GLU 43 Cb 0.59 -2.28 0.00 0.00 -0.57 0.00 0.00 31.44 29.18 1i2u n GLU 43 CO 0.00 0.00 0.00 0.25 -0.48 0.00 0.00 177.13 176.90