#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 1.30 -0.26 0.11 2.20 -0.23 -4.89 119.74 117.97 1i2u s LYS 2 Ca 0.00 -0.89 -0.16 0.00 -0.36 0.00 0.00 55.97 54.55 1i2u s LYS 2 Cb 0.00 -1.39 -0.03 0.00 -1.51 0.00 0.00 37.83 34.89 1i2u s LYS 2 CO 0.00 0.35 0.44 -1.17 -0.36 0.00 0.00 175.35 174.62 1i2u s LEU 3 N -1.14 4.05 0.00 5.43 2.96 -1.26 0.12 118.68 128.84 1i2u s LEU 3 Ca 0.06 0.41 0.16 0.00 -0.22 0.00 0.00 54.13 54.54 1i2u s LEU 3 Cb -0.09 -2.54 -0.01 0.00 0.50 0.00 0.00 46.19 44.06 1i2u s LEU 3 CO 0.02 -0.23 0.85 2.30 -1.32 0.00 0.00 176.35 177.97 1i2u n ILE 4 N 5.10 0.00 -3.99 6.68 -6.64 -1.06 -4.98 119.36 114.47 1i2u n ILE 4 Ca -0.06 -0.33 0.02 0.00 -1.77 0.00 0.00 62.75 60.61 1i2u n ILE 4 Cb 0.50 1.19 0.01 0.00 -1.44 0.00 0.00 39.64 39.89 1i2u n ILE 4 CO 0.00 0.00 0.00 0.61 -1.77 0.00 0.00 176.55 175.39 1i2u n GLY 5 N 1.15 0.30 3.90 3.28 0.00 -1.24 -5.01 105.19 107.57 1i2u n GLY 5 Ca 0.07 -0.94 -0.27 0.00 0.00 0.00 0.00 46.02 44.88 1i2u n GLY 5 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1i2u s SER 6 N -2.67 4.57 -0.15 1.61 0.15 0.19 -1.07 113.70 116.34 1i2u s SER 6 Ca 0.18 -1.32 0.16 0.00 0.70 0.00 0.00 55.95 55.67 1i2u s SER 6 Cb -0.00 0.52 0.43 0.00 -1.71 0.00 0.00 66.02 65.25 1i2u s SER 6 CO -0.01 -1.13 1.20 0.00 1.20 0.00 0.00 173.24 174.50 1i2u s VAL 8 N -2.25 3.22 -0.25 0.00 1.01 -1.25 -4.22 120.40 116.66 1i2u s VAL 8 Ca 0.37 -2.85 -0.40 0.00 0.00 0.00 0.00 61.98 59.10 1i2u s VAL 8 Cb 0.38 -3.17 -0.16 0.00 0.00 0.00 0.00 36.38 33.43 1i2u s VAL 8 CO -0.10 -0.80 1.68 1.87 0.00 0.00 0.00 175.10 177.75 1i2u n TRP 9 N 3.64 1.96 0.00 5.22 -0.00 -1.26 -1.10 117.44 125.89 1i2u n TRP 9 Ca 0.05 0.59 0.00 0.00 -0.00 0.00 0.00 57.50 58.14 1i2u n TRP 9 Cb 0.37 -2.43 0.00 0.00 -0.00 0.00 0.00 31.31 29.26 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 3.95 1.58 3.81 5.87 0.00 -1.26 -5.09 105.19 114.05 1i2u n GLY 10 Ca 0.26 -0.43 -0.32 0.00 0.00 0.00 0.00 46.02 45.52 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 -0.55 2.72 -0.20 4.61 0.00 -0.26 -4.90 121.76 123.19 1i2u s ALA 11 Ca 0.00 0.33 -0.04 0.00 0.00 0.00 0.00 51.96 52.25 1i2u s ALA 11 Cb 0.00 -3.22 -0.07 0.00 0.00 0.00 0.00 23.12 19.83 1i2u s ALA 11 CO 0.00 -0.90 3.00 1.55 0.00 0.00 0.00 175.76 179.41 1i2u n VAL 12 N -2.26 3.00 -1.86 0.00 3.14 -1.26 -3.49 118.33 115.59 1i2u n VAL 12 Ca 0.08 -1.97 0.00 0.00 -2.96 0.00 0.00 64.34 59.50 1i2u n VAL 12 Cb 0.53 -1.74 0.00 0.00 -1.06 0.00 0.00 33.84 31.57 1i2u n VAL 12 CO 0.00 0.00 0.00 -3.20 -6.46 0.00 0.00 176.83 167.17 1i2u n ASN 13 N 1.59 0.00 -4.77 6.55 2.85 -1.26 -5.04 115.26 115.18 1i2u n ASN 13 Ca 0.40 -0.92 -0.39 0.00 -0.11 0.00 0.00 54.58 53.56 1i2u n ASN 13 Cb 0.71 0.00 -0.03 0.00 1.24 0.00 0.00 39.78 41.70 1i2u n ASN 13 CO 0.00 0.00 0.00 -0.47 -2.11 0.00 0.00 177.26 174.68 1i2u s TYR 14 N 0.00 3.25 -0.46 1.20 5.04 -1.23 0.55 117.35 125.70 1i2u s TYR 14 Ca 0.00 1.60 -0.11 0.00 -2.44 0.00 0.00 57.07 56.12 1i2u s TYR 14 Cb 0.00 -3.34 0.10 0.00 0.35 0.00 0.00 41.96 39.07 1i2u s TYR 14 CO 0.00 -1.02 0.34 0.95 -1.34 0.00 0.00 175.55 174.48 1i2u s THR 15 N -1.36 4.50 0.53 4.34 -4.23 -1.06 -4.83 115.64 113.53 1i2u s THR 15 Ca 0.53 -1.49 0.31 0.00 -1.18 0.00 0.00 61.69 59.85 1i2u s THR 15 Cb -0.30 -3.83 0.48 0.00 1.34 0.00 0.00 72.50 70.18 1i2u s THR 15 CO 0.39 -0.66 1.89 -1.28 -0.54 0.00 0.00 174.62 174.42 1i2u h SER 16 N 8.54 0.03 -2.17 3.99 0.87 -1.94 -3.17 113.55 119.70 1i2u h SER 16 Ca -0.24 0.00 -0.52 0.00 -1.23 0.00 0.00 61.79 59.80 1i2u h SER 16 Cb 1.09 -0.00 -0.35 0.00 -0.44 0.00 0.00 62.40 62.70 1i2u h SER 16 CO 0.85 0.01 -0.90 -0.62 -0.53 0.00 0.00 176.83 175.64 1i2u s ASP 17 N -5.63 1.05 0.18 6.23 -1.08 -1.26 -5.02 116.67 111.13 1i2u s ASP 17 Ca -0.05 -2.82 -0.25 0.00 -0.52 0.00 0.00 52.55 48.91 1i2u s ASP 17 Cb 0.22 -0.08 0.06 0.00 -1.46 0.00 0.00 42.92 41.66 1i2u s ASP 17 CO 0.77 -0.16 1.56 0.00 0.52 0.00 0.00 175.17 177.86 1i2u h ASN 19 N -0.13 0.92 -0.17 0.00 -0.00 -1.86 -1.10 115.58 113.25 1i2u h ASN 19 Ca 0.22 -0.42 0.05 0.00 -0.00 0.00 0.00 56.30 56.15 1i2u h ASN 19 Cb 0.54 -0.26 -0.06 0.00 -0.00 0.00 0.00 38.32 38.54 1i2u h ASN 19 CO -0.81 1.19 -0.25 1.23 -0.00 0.00 0.00 177.43 178.79 1i2u h GLY 20 N 0.84 -0.24 0.95 1.57 0.00 -1.43 0.32 103.07 105.07 1i2u h GLY 20 Ca 0.06 0.30 -0.01 0.00 0.00 0.00 0.00 47.33 47.69 1i2u h GLY 20 CO 0.09 -0.20 0.14 -2.09 0.00 0.00 0.00 176.54 174.48 1i2u h GLU 21 N -0.29 0.37 -0.54 4.80 4.57 -0.72 -1.30 114.58 121.47 1i2u h GLU 21 Ca 0.11 -0.05 0.11 0.00 -1.18 0.00 0.00 59.36 58.35 1i2u h GLU 21 Cb 0.46 -0.07 -0.09 0.00 -0.16 0.00 0.00 28.75 28.89 1i2u h GLU 21 CO -0.34 0.34 0.01 0.00 -1.18 0.00 0.00 179.01 177.84 1i2u h LYS 23 N 0.13 0.73 -0.04 0.00 1.63 -0.07 0.26 116.57 119.20 1i2u h LYS 23 Ca 0.28 -0.04 0.01 0.00 -0.85 0.00 0.00 60.65 60.04 1i2u h LYS 23 Cb 0.42 -0.16 -0.00 0.00 -0.60 0.00 0.00 32.23 31.89 1i2u h LYS 23 CO -0.45 0.48 0.05 -0.09 -3.45 0.00 0.00 179.45 175.99 1i2u h ARG 24 N 0.75 0.00 -0.45 1.90 2.43 0.41 0.19 114.38 119.61 1i2u h ARG 24 Ca 0.22 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.39 1i2u h ARG 24 Cb -0.05 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.50 1i2u h ARG 24 CO -0.07 0.00 0.00 0.54 -1.51 0.00 0.00 179.97 178.93 1i2u n ARG 25 N -3.76 2.09 -1.53 0.20 1.74 0.80 -4.87 116.66 111.34 1i2u n ARG 25 Ca -0.02 -1.46 -0.17 0.00 -0.77 0.00 0.00 57.85 55.43 1i2u n ARG 25 Cb 0.14 -1.39 -0.07 0.00 -1.02 0.00 0.00 32.46 30.11 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 1.02 1.63 3.92 -0.13 0.00 0.68 -4.97 105.19 107.34 1i2u n GLY 26 Ca 0.13 -0.20 -0.27 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.64 3.35 0.39 1.61 2.02 -0.45 -4.97 117.35 116.66 1i2u s TYR 27 Ca 0.00 0.66 0.06 0.00 -0.37 0.00 0.00 57.07 57.42 1i2u s TYR 27 Cb 0.00 -2.57 0.79 0.00 -0.40 0.00 0.00 41.96 39.78 1i2u s TYR 27 CO 0.00 -0.62 2.02 0.87 -1.57 0.00 0.00 175.55 176.25 1i2u h LYS 28 N -0.01 0.64 0.00 -0.62 1.57 -1.09 -3.40 116.57 113.66 1i2u h LYS 28 Ca -0.46 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.28 1i2u h LYS 28 Cb 1.24 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 33.40 1i2u h LYS 28 CO 0.61 0.43 0.00 0.41 -0.57 0.00 0.00 179.45 180.32 1i2u n GLY 29 N -1.46 3.34 3.38 3.86 0.00 -1.25 -4.95 105.19 108.10 1i2u n GLY 29 Ca 0.06 -1.01 -0.10 0.00 0.00 0.00 0.00 46.02 44.97 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 0.00 0.66 -0.02 -0.02 0.00 -1.26 0.87 107.32 107.54 1i2u s GLY 30 Ca 0.00 -1.03 -0.30 0.00 0.00 0.00 0.00 44.72 43.39 1i2u s GLY 30 CO 0.00 -0.88 1.30 -2.38 0.00 0.00 0.00 173.10 171.14 1i2u s HIS 31 N -4.01 -0.04 0.71 1.90 -3.43 0.16 -2.66 115.29 107.93 1i2u s HIS 31 Ca 0.22 -0.06 -0.07 0.00 -0.80 0.00 0.00 55.06 54.35 1i2u s HIS 31 Cb 0.03 0.54 0.06 0.00 -1.43 0.00 0.00 32.58 31.79 1i2u s HIS 31 CO 0.04 -0.26 1.02 0.00 -2.00 0.00 0.00 174.74 173.55 1i2u n GLY 33 N -2.94 -1.35 0.00 0.00 0.00 -1.21 -4.84 105.19 94.86 1i2u n GLY 33 Ca 0.08 0.65 0.00 0.00 0.00 0.00 0.00 46.02 46.75 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 -4.98 113.62 111.80 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 0.53 3.74 -0.56 1.43 2.19 -1.26 -4.19 117.98 119.86 1i2u s PHE 35 Ca 0.00 1.05 -0.04 0.00 0.33 0.00 0.00 56.93 58.27 1i2u s PHE 35 Cb 0.00 -2.34 0.04 0.00 -1.31 0.00 0.00 43.02 39.41 1i2u s PHE 35 CO 0.00 0.62 0.13 0.00 1.83 0.00 0.00 175.22 177.80 1i2u n ALA 36 N 1.83 -0.99 -2.80 11.12 0.00 -1.26 -3.29 120.51 125.11 1i2u n ALA 36 Ca -0.13 -0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.30 1i2u n ALA 36 Cb 0.52 -1.18 -0.00 0.00 0.00 0.00 0.00 19.45 18.79 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 -1.76 -7.18 0.00 0.00 3.02 -1.26 -4.92 115.26 103.17 1i2u n ASN 37 Ca -0.01 1.24 0.00 0.00 -0.03 0.00 0.00 54.58 55.78 1i2u n ASN 37 Cb 0.52 -4.59 0.00 0.00 -0.61 0.00 0.00 39.78 35.09 1i2u n ASN 37 CO 0.00 0.00 0.00 1.33 -2.62 0.00 0.00 177.26 175.97 1i2u n VAL 38 N 0.93 0.00 -4.37 2.41 0.24 -1.21 -3.87 118.33 112.47 1i2u n VAL 38 Ca -0.03 0.00 -0.25 0.00 -2.04 0.00 0.00 64.34 62.01 1i2u n VAL 38 Cb 0.14 -0.13 -0.17 0.00 -1.47 0.00 0.00 33.84 32.22 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 -1.74 1.89 -0.53 -1.34 0.01 -1.26 -1.02 114.94 110.95 1i2u s ASN 39 Ca 0.00 -0.30 -0.19 0.00 -0.71 0.00 0.00 52.86 51.66 1i2u s ASN 39 Cb 0.00 -0.83 0.07 0.00 0.41 0.00 0.00 41.25 40.90 1i2u s ASN 39 CO 0.00 -0.01 0.63 0.00 -1.51 0.00 0.00 177.10 176.21 1i2u s TRP 41 N 2.59 3.48 0.29 0.00 0.52 0.69 -2.58 118.94 123.92 1i2u s TRP 41 Ca 0.13 0.60 0.05 0.00 0.02 0.00 0.00 56.10 56.91 1i2u s TRP 41 Cb -0.21 -2.08 -0.06 0.00 -1.15 0.00 0.00 33.47 29.97 1i2u s TRP 41 CO 0.10 0.16 -0.02 0.00 0.02 0.00 0.00 176.95 177.21 1i2u s GLU 43 N -3.79 2.37 0.00 0.00 2.02 0.25 -1.07 118.70 118.49 1i2u s GLU 43 Ca 0.31 -1.37 0.00 0.00 0.02 0.00 0.00 54.97 53.93 1i2u s GLU 43 Cb 0.05 -3.32 0.00 0.00 0.10 0.00 0.00 34.13 30.97 1i2u s GLU 43 CO 0.12 -0.72 0.46 0.25 0.02 0.00 0.00 175.26 175.39