#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 3.65 -0.35 -1.24 -0.14 0.03 -4.77 119.74 116.92 1i2u s LYS 2 Ca 0.00 -0.03 -0.08 0.00 -1.36 0.00 0.00 55.97 54.50 1i2u s LYS 2 Cb 0.00 -2.89 0.03 0.00 -1.68 0.00 0.00 37.83 33.29 1i2u s LYS 2 CO 0.00 0.50 0.15 -1.17 -0.76 0.00 0.00 175.35 174.07 1i2u s LEU 3 N -2.43 4.47 -0.05 3.17 2.96 -1.26 0.90 118.68 126.44 1i2u s LEU 3 Ca 0.38 -1.06 0.22 0.00 -0.22 0.00 0.00 54.13 53.45 1i2u s LEU 3 Cb -0.13 -1.94 -0.33 0.00 0.50 0.00 0.00 46.19 44.30 1i2u s LEU 3 CO 0.22 -0.35 0.44 2.30 -1.32 0.00 0.00 176.35 177.65 1i2u n ILE 4 N 4.89 0.15 -3.83 6.68 -5.35 -1.23 -5.02 119.36 115.65 1i2u n ILE 4 Ca -0.12 -0.54 -0.07 0.00 -0.27 0.00 0.00 62.75 61.75 1i2u n ILE 4 Cb 0.45 -0.05 0.00 0.00 -1.74 0.00 0.00 39.64 38.30 1i2u n ILE 4 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 1i2u s GLY 5 N -4.62 0.09 0.11 3.28 0.00 -1.26 -5.05 107.32 99.87 1i2u s GLY 5 Ca -0.08 -0.44 -0.01 0.00 0.00 0.00 0.00 44.72 44.19 1i2u s GLY 5 CO 0.90 0.01 0.15 -1.26 0.00 0.00 0.00 173.10 172.90 1i2u n SER 6 N -0.89 0.14 -1.22 1.64 2.88 0.16 -1.39 113.62 114.94 1i2u n SER 6 Ca -0.06 -1.13 0.04 0.00 -1.33 0.00 0.00 58.87 56.39 1i2u n SER 6 Cb 0.60 -0.10 0.03 0.00 -0.75 0.00 0.00 64.21 63.99 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 -0.32 3.58 -0.91 0.00 1.01 -1.24 -3.90 120.40 118.61 1i2u s VAL 8 Ca 0.28 -2.95 -0.18 0.00 0.00 0.00 0.00 61.98 59.13 1i2u s VAL 8 Cb 0.32 -3.35 -0.25 0.00 0.00 0.00 0.00 36.38 33.09 1i2u s VAL 8 CO -0.13 -0.86 2.34 1.87 0.00 0.00 0.00 175.10 178.32 1i2u n TRP 9 N 3.50 0.48 0.00 5.22 -0.00 -1.26 -1.34 117.44 124.05 1i2u n TRP 9 Ca 0.07 0.08 0.00 0.00 -0.00 0.00 0.00 57.50 57.65 1i2u n TRP 9 Cb 0.37 -1.51 0.00 0.00 -0.00 0.00 0.00 31.31 30.17 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 6.03 1.06 3.82 5.87 0.00 -1.26 -5.14 105.19 115.57 1i2u n GLY 10 Ca 0.60 -0.03 -0.31 0.00 0.00 0.00 0.00 46.02 46.28 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 2.64 -0.13 4.61 0.00 -0.45 -4.91 121.76 123.52 1i2u s ALA 11 Ca 0.00 0.03 -0.03 0.00 0.00 0.00 0.00 51.96 51.96 1i2u s ALA 11 Cb 0.00 -3.16 -0.03 0.00 0.00 0.00 0.00 23.12 19.93 1i2u s ALA 11 CO 0.00 -1.27 2.60 1.33 0.00 0.00 0.00 175.76 178.42 1i2u n VAL 12 N -3.16 2.65 -1.76 0.00 0.24 -1.26 -3.51 118.33 111.53 1i2u n VAL 12 Ca 0.07 -1.40 -0.02 0.00 -2.04 0.00 0.00 64.34 60.95 1i2u n VAL 12 Cb 0.54 -1.63 -0.02 0.00 -1.47 0.00 0.00 33.84 31.26 1i2u n VAL 12 CO 0.00 0.00 0.00 -0.46 -2.14 0.00 0.00 176.83 174.23 1i2u n ASN 13 N 1.47 -0.29 -4.80 -1.34 2.04 -1.26 -5.08 115.26 106.00 1i2u n ASN 13 Ca 0.26 -0.99 -0.37 0.00 -0.44 0.00 0.00 54.58 53.04 1i2u n ASN 13 Cb 0.65 0.09 -0.06 0.00 -2.53 0.00 0.00 39.78 37.92 1i2u n ASN 13 CO 0.00 0.00 0.00 -0.47 -0.44 0.00 0.00 177.26 176.35 1i2u s TYR 14 N 0.00 3.73 -0.50 -2.53 5.04 -1.23 0.38 117.35 122.24 1i2u s TYR 14 Ca 0.00 1.47 -0.15 0.00 -2.44 0.00 0.00 57.07 55.95 1i2u s TYR 14 Cb 0.00 -2.67 0.10 0.00 0.35 0.00 0.00 41.96 39.74 1i2u s TYR 14 CO 0.00 0.39 0.44 0.95 -1.34 0.00 0.00 175.55 175.98 1i2u s THR 15 N -1.41 5.14 0.32 4.34 -4.23 -1.22 -4.87 115.64 113.71 1i2u s THR 15 Ca 0.41 -1.30 0.07 0.00 -1.18 0.00 0.00 61.69 59.69 1i2u s THR 15 Cb -0.19 -4.19 0.31 0.00 1.34 0.00 0.00 72.50 69.78 1i2u s THR 15 CO 0.22 -0.71 1.81 -1.28 -0.54 0.00 0.00 174.62 174.12 1i2u h SER 16 N 8.79 0.73 -3.66 3.99 0.87 -1.96 -3.21 113.55 119.11 1i2u h SER 16 Ca -0.29 0.07 -0.62 0.00 -1.23 0.00 0.00 61.79 59.73 1i2u h SER 16 Cb 1.10 -0.06 -0.40 0.00 -0.44 0.00 0.00 62.40 62.60 1i2u h SER 16 CO 0.95 0.30 -0.71 -0.62 -0.53 0.00 0.00 176.83 176.21 1i2u s ASP 17 N -5.53 3.97 0.12 6.23 -1.08 -1.26 -5.00 116.67 114.12 1i2u s ASP 17 Ca -0.11 -2.51 -0.32 0.00 -0.52 0.00 0.00 52.55 49.09 1i2u s ASP 17 Cb 0.24 -1.20 -0.11 0.00 -1.46 0.00 0.00 42.92 40.39 1i2u s ASP 17 CO 0.80 -0.29 1.56 0.00 0.52 0.00 0.00 175.17 177.76 1i2u h ASN 19 N -0.60 0.00 0.16 0.00 -0.00 -1.92 -1.33 115.58 111.89 1i2u h ASN 19 Ca 0.04 0.00 -0.01 0.00 -0.00 0.00 0.00 56.30 56.33 1i2u h ASN 19 Cb 0.69 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 39.01 1i2u h ASN 19 CO -0.38 0.37 -0.08 1.23 -0.00 0.00 0.00 177.43 178.57 1i2u h GLY 20 N 1.94 -0.22 0.68 1.57 0.00 -1.56 0.38 103.07 105.87 1i2u h GLY 20 Ca -0.00 0.08 -0.02 0.00 0.00 0.00 0.00 47.33 47.39 1i2u h GLY 20 CO 0.05 -0.08 -0.02 -2.09 0.00 0.00 0.00 176.54 174.40 1i2u h GLU 21 N -0.22 0.15 -0.43 4.80 4.57 -0.48 -0.94 114.58 122.01 1i2u h GLU 21 Ca -0.02 -0.06 0.09 0.00 -1.18 0.00 0.00 59.36 58.19 1i2u h GLU 21 Cb 0.17 -0.01 -0.08 0.00 -0.16 0.00 0.00 28.75 28.67 1i2u h GLU 21 CO 0.04 0.49 -0.11 0.00 -1.18 0.00 0.00 179.01 178.24 1i2u h LYS 23 N -0.01 0.82 -0.12 0.00 1.63 -0.17 0.26 116.57 118.98 1i2u h LYS 23 Ca 0.21 -0.05 0.03 0.00 -0.85 0.00 0.00 60.65 59.99 1i2u h LYS 23 Cb 0.32 -0.18 -0.00 0.00 -0.60 0.00 0.00 32.23 31.76 1i2u h LYS 23 CO -0.45 0.54 0.11 -0.09 -3.45 0.00 0.00 179.45 176.12 1i2u h ARG 24 N 0.84 0.00 -0.20 1.90 2.43 0.58 0.20 114.38 120.14 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 -0.01 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.54 1i2u h ARG 24 CO -0.09 0.00 0.00 0.54 -1.51 0.00 0.00 179.97 178.91 1i2u n ARG 25 N -3.99 1.57 -1.26 0.20 5.12 0.78 -4.86 116.66 114.22 1i2u n ARG 25 Ca -0.00 -0.87 -0.09 0.00 -1.93 0.00 0.00 57.85 54.96 1i2u n ARG 25 Cb 0.23 -1.27 -0.04 0.00 -1.16 0.00 0.00 32.46 30.22 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 0.96 1.01 3.94 -0.13 0.00 0.72 -4.98 105.19 106.71 1i2u n GLY 26 Ca 0.12 -0.29 -0.24 0.00 0.00 0.00 0.00 46.02 45.60 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 -2.14 3.08 0.06 1.61 1.51 -0.46 -5.00 117.35 116.01 1i2u s TYR 27 Ca 0.00 0.36 -0.37 0.00 -1.01 0.00 0.00 57.07 56.06 1i2u s TYR 27 Cb 0.00 -2.76 -0.20 0.00 -0.11 0.00 0.00 41.96 38.89 1i2u s TYR 27 CO 0.00 -0.87 1.52 0.87 -1.11 0.00 0.00 175.55 175.96 1i2u h LYS 28 N -0.10 -1.25 0.00 -0.62 1.57 -1.92 -3.38 116.57 110.87 1i2u h LYS 28 Ca -0.45 0.09 0.29 0.00 -1.87 0.00 0.00 60.65 58.71 1i2u h LYS 28 Cb 1.28 0.28 -0.05 0.00 0.08 0.00 0.00 32.23 33.82 1i2u h LYS 28 CO 0.58 -0.83 0.71 0.41 -0.57 0.00 0.00 179.45 179.75 1i2u n GLY 29 N -1.56 0.22 3.71 3.86 0.00 -1.26 -4.80 105.19 105.37 1i2u n GLY 29 Ca -0.16 -0.97 -0.02 0.00 0.00 0.00 0.00 46.02 44.87 1i2u n GLY 29 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1i2u s GLY 30 N -3.66 -0.29 0.00 -0.02 0.00 -1.26 -0.03 107.32 102.07 1i2u s GLY 30 Ca 0.23 0.30 -0.29 0.00 0.00 0.00 0.00 44.72 44.96 1i2u s GLY 30 CO -0.02 0.07 1.26 -2.38 0.00 0.00 0.00 173.10 172.04 1i2u s HIS 31 N -3.00 0.00 0.73 1.90 -3.43 0.11 -3.22 115.29 108.39 1i2u s HIS 31 Ca 0.13 -0.14 -0.09 0.00 -0.80 0.00 0.00 55.06 54.16 1i2u s HIS 31 Cb 0.01 0.57 0.06 0.00 -1.43 0.00 0.00 32.58 31.78 1i2u s HIS 31 CO 0.00 -0.33 1.07 0.00 -2.00 0.00 0.00 174.74 173.49 1i2u n GLY 33 N -3.04 -1.00 0.00 0.00 0.00 -1.22 -4.82 105.19 95.12 1i2u n GLY 33 Ca 0.07 0.47 0.00 0.00 0.00 0.00 0.00 46.02 46.57 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 -4.83 1.61 7.64 -1.26 -4.97 113.62 111.80 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 -0.29 3.73 -0.47 1.43 5.36 -1.26 -4.16 117.98 122.32 1i2u s PHE 35 Ca 0.00 1.00 0.00 0.00 -0.96 0.00 0.00 56.93 56.97 1i2u s PHE 35 Cb 0.00 -2.30 0.00 0.00 -0.34 0.00 0.00 43.02 40.38 1i2u s PHE 35 CO 0.00 0.63 0.00 0.00 -1.46 0.00 0.00 175.22 174.39 1i2u n ALA 36 N 1.85 -0.81 -2.74 11.12 0.00 -1.26 -3.49 120.51 125.19 1i2u n ALA 36 Ca -0.14 0.05 -0.02 0.00 0.00 0.00 0.00 53.44 53.33 1i2u n ALA 36 Cb 0.52 -0.91 -0.01 0.00 0.00 0.00 0.00 19.45 19.05 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 -1.40 -5.56 0.00 0.00 5.03 -1.26 -4.90 115.26 107.16 1i2u n ASN 37 Ca -0.06 1.32 0.00 0.00 0.87 0.00 0.00 54.58 56.71 1i2u n ASN 37 Cb 0.51 -4.89 0.00 0.00 -1.02 0.00 0.00 39.78 34.38 1i2u n ASN 37 CO 0.00 0.00 0.00 1.33 -1.83 0.00 0.00 177.26 176.76 1i2u n VAL 38 N 1.14 0.00 -4.05 2.41 0.24 -1.23 -3.69 118.33 113.16 1i2u n VAL 38 Ca -0.13 0.00 -0.14 0.00 -2.04 0.00 0.00 64.34 62.03 1i2u n VAL 38 Cb 0.24 -0.40 -0.14 0.00 -1.47 0.00 0.00 33.84 32.08 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 -2.14 0.43 -0.48 -1.34 0.01 -1.26 -0.22 114.94 109.94 1i2u s ASN 39 Ca 0.00 -0.14 -0.15 0.00 -0.71 0.00 0.00 52.86 51.86 1i2u s ASN 39 Cb 0.00 -0.02 0.09 0.00 0.41 0.00 0.00 41.25 41.72 1i2u s ASN 39 CO 0.00 -0.01 0.40 0.00 -1.51 0.00 0.00 177.10 175.98 1i2u s TRP 41 N 1.60 3.62 0.33 0.00 0.52 0.12 -3.47 118.94 121.65 1i2u s TRP 41 Ca 0.04 1.05 0.08 0.00 0.02 0.00 0.00 56.10 57.29 1i2u s TRP 41 Cb -0.25 -2.36 -0.04 0.00 -1.15 0.00 0.00 33.47 29.67 1i2u s TRP 41 CO 0.05 0.45 0.12 0.00 0.02 0.00 0.00 176.95 177.60 1i2u h GLU 43 N 1.60 0.00 0.00 0.00 4.39 -0.75 0.12 114.58 119.94 1i2u h GLU 43 Ca -0.44 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.26 1i2u h GLU 43 Cb 1.25 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.90 1i2u h GLU 43 CO 0.63 0.76 0.00 0.25 -1.16 0.00 0.00 179.01 179.49