#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 0.86 -0.36 -1.24 2.47 -0.30 -4.78 119.74 116.38 1i2u s LYS 2 Ca 0.00 -0.99 -0.18 0.00 -1.56 0.00 0.00 55.97 53.24 1i2u s LYS 2 Cb 0.00 -0.87 -0.00 0.00 -1.46 0.00 0.00 37.83 35.50 1i2u s LYS 2 CO 0.00 0.19 0.50 -1.17 0.16 0.00 0.00 175.35 175.03 1i2u s LEU 3 N -1.82 4.41 -0.03 5.43 2.96 -1.26 0.83 118.68 129.21 1i2u s LEU 3 Ca -0.00 -0.12 0.20 0.00 -0.22 0.00 0.00 54.13 53.99 1i2u s LEU 3 Cb -0.09 -2.56 -0.31 0.00 0.50 0.00 0.00 46.19 43.73 1i2u s LEU 3 CO 0.02 -0.50 0.46 2.30 -1.32 0.00 0.00 176.35 177.32 1i2u n ILE 4 N 5.44 0.00 -3.86 6.68 -6.64 -1.19 -4.99 119.36 114.80 1i2u n ILE 4 Ca -0.05 -0.44 -0.05 0.00 -1.77 0.00 0.00 62.75 60.44 1i2u n ILE 4 Cb 0.49 0.09 0.02 0.00 -1.44 0.00 0.00 39.64 38.80 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 -4.23 0.24 0.55 3.28 0.00 -1.24 -5.04 107.32 100.87 1i2u s GLY 5 Ca -0.07 -0.53 0.08 0.00 0.00 0.00 0.00 44.72 44.20 1i2u s GLY 5 CO 0.83 1.42 0.65 -1.26 0.00 0.00 0.00 173.10 174.74 1i2u n SER 6 N -1.34 2.24 -2.15 1.64 2.88 0.22 -0.90 113.62 116.20 1i2u n SER 6 Ca -0.05 -2.58 -0.04 0.00 -1.33 0.00 0.00 58.87 54.86 1i2u n SER 6 Cb 0.60 -0.29 0.05 0.00 -0.75 0.00 0.00 64.21 63.82 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 -3.18 1.85 -0.86 0.00 1.01 -1.25 -3.95 120.40 114.00 1i2u s VAL 8 Ca 0.35 -2.24 -0.23 0.00 0.00 0.00 0.00 61.98 59.87 1i2u s VAL 8 Cb 0.36 -2.35 -0.21 0.00 0.00 0.00 0.00 36.38 34.18 1i2u s VAL 8 CO -0.05 -0.68 2.43 1.87 0.00 0.00 0.00 175.10 178.67 1i2u n TRP 9 N 4.19 0.67 0.00 5.22 -0.00 -1.26 -1.70 117.44 124.56 1i2u n TRP 9 Ca 0.03 0.14 0.00 0.00 -0.00 0.00 0.00 57.50 57.67 1i2u n TRP 9 Cb 0.40 -1.91 0.00 0.00 -0.00 0.00 0.00 31.31 29.80 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 0.65 3.89 5.87 0.00 -1.26 -5.14 105.19 115.35 1i2u n GLY 10 Ca 0.58 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.31 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 3.27 -0.23 4.61 0.00 -0.69 -4.94 121.76 123.78 1i2u s ALA 11 Ca 0.00 -0.32 -0.04 0.00 0.00 0.00 0.00 51.96 51.60 1i2u s ALA 11 Cb 0.00 -2.80 -0.07 0.00 0.00 0.00 0.00 23.12 20.24 1i2u s ALA 11 CO 0.00 -0.48 3.06 0.28 0.00 0.00 0.00 175.76 178.62 1i2u n VAL 12 N -2.44 3.09 -1.77 0.00 0.31 -1.26 -3.60 118.33 112.66 1i2u n VAL 12 Ca 0.03 -2.16 0.00 0.00 -0.01 0.00 0.00 64.34 62.20 1i2u n VAL 12 Cb 0.55 -1.75 0.00 0.00 -0.91 0.00 0.00 33.84 31.73 1i2u n VAL 12 CO 0.00 0.00 0.00 -3.20 -1.32 0.00 0.00 176.83 172.31 1i2u n ASN 13 N 1.57 0.00 -4.77 4.52 4.05 -1.26 -5.04 115.26 114.33 1i2u n ASN 13 Ca 0.43 -0.80 -0.39 0.00 0.45 0.00 0.00 54.58 54.28 1i2u n ASN 13 Cb 0.71 0.00 -0.04 0.00 1.23 0.00 0.00 39.78 41.68 1i2u n ASN 13 CO 0.00 0.00 0.00 -0.47 -3.05 0.00 0.00 177.26 173.74 1i2u s TYR 14 N 0.00 3.40 -0.38 1.20 5.04 -1.24 0.68 117.35 126.06 1i2u s TYR 14 Ca 0.00 1.66 0.00 0.00 -2.44 0.00 0.00 57.07 56.30 1i2u s TYR 14 Cb 0.00 -3.24 0.10 0.00 0.35 0.00 0.00 41.96 39.17 1i2u s TYR 14 CO 0.00 -0.67 0.13 0.95 -1.34 0.00 0.00 175.55 174.62 1i2u s THR 15 N -1.37 2.82 0.18 4.34 -4.23 -1.12 -4.83 115.64 111.42 1i2u s THR 15 Ca 0.51 -2.18 -0.14 0.00 -1.18 0.00 0.00 61.69 58.70 1i2u s THR 15 Cb -0.28 -2.99 0.07 0.00 1.34 0.00 0.00 72.50 70.64 1i2u s THR 15 CO 0.36 -0.64 1.80 -1.28 -0.54 0.00 0.00 174.62 174.32 1i2u h SER 16 N 7.85 0.44 -3.17 3.99 0.87 -1.95 -3.23 113.55 118.35 1i2u h SER 16 Ca -0.09 0.01 -0.71 0.00 -1.23 0.00 0.00 61.79 59.78 1i2u h SER 16 Cb 1.03 -0.08 -0.35 0.00 -0.44 0.00 0.00 62.40 62.57 1i2u h SER 16 CO 0.61 0.31 -0.03 -0.67 -0.53 0.00 0.00 176.83 176.52 1i2u n ASP 17 N -4.84 4.44 -0.05 6.23 -0.08 -1.26 -4.94 116.55 116.05 1i2u n ASP 17 Ca 0.04 -3.19 -0.14 0.00 -1.51 0.00 0.00 54.79 49.99 1i2u n ASP 17 Cb 0.09 -1.05 -0.09 0.00 2.34 0.00 0.00 41.12 42.42 1i2u n ASP 17 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1i2u h ASN 19 N -0.50 0.84 -0.08 0.00 -0.00 -1.87 0.49 115.58 114.45 1i2u h ASN 19 Ca 0.06 -0.12 0.02 0.00 -0.00 0.00 0.00 56.30 56.27 1i2u h ASN 19 Cb 0.65 -0.22 -0.02 0.00 -0.00 0.00 0.00 38.32 38.73 1i2u h ASN 19 CO -0.49 0.76 -0.06 1.23 -0.00 0.00 0.00 177.43 178.86 1i2u h GLY 20 N 1.00 0.00 0.89 1.57 0.00 -1.63 0.25 103.07 105.15 1i2u h GLY 20 Ca 0.21 0.08 -0.01 0.00 0.00 0.00 0.00 47.33 47.61 1i2u h GLY 20 CO -0.02 -0.08 -0.09 -2.09 0.00 0.00 0.00 176.54 174.27 1i2u h GLU 21 N -0.08 -0.24 -0.56 4.80 4.57 -0.45 -0.49 114.58 122.13 1i2u h GLU 21 Ca 0.05 0.02 0.11 0.00 -1.18 0.00 0.00 59.36 58.36 1i2u h GLU 21 Cb 0.16 0.05 -0.11 0.00 -0.16 0.00 0.00 28.75 28.69 1i2u h GLU 21 CO -0.13 -0.07 -0.18 0.00 -1.18 0.00 0.00 179.01 177.45 1i2u h LYS 23 N -0.04 1.00 -0.09 0.00 1.57 -0.32 0.21 116.57 118.90 1i2u h LYS 23 Ca 0.27 -0.06 0.02 0.00 -1.87 0.00 0.00 60.65 59.01 1i2u h LYS 23 Cb 0.45 -0.23 -0.00 0.00 0.08 0.00 0.00 32.23 32.53 1i2u h LYS 23 CO -0.60 0.66 0.10 -0.09 -0.57 0.00 0.00 179.45 178.96 1i2u h ARG 24 N 1.03 0.00 -0.63 3.15 2.43 0.13 0.23 114.38 120.72 1i2u h ARG 24 Ca 0.33 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.50 1i2u h ARG 24 Cb 0.01 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.56 1i2u h ARG 24 CO -0.12 0.00 0.00 0.54 -1.51 0.00 0.00 179.97 178.88 1i2u n ARG 25 N -3.80 3.09 -1.34 0.20 1.74 0.62 -4.87 116.66 112.30 1i2u n ARG 25 Ca -0.01 -2.06 -0.12 0.00 -0.77 0.00 0.00 57.85 54.90 1i2u n ARG 25 Cb 0.20 -1.77 -0.05 0.00 -1.02 0.00 0.00 32.46 29.81 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 0.80 1.22 3.96 -0.13 0.00 0.80 -4.97 105.19 106.86 1i2u n GLY 26 Ca 0.18 -0.18 -0.27 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.23 1.75 -0.00 1.61 1.51 -0.50 -4.99 117.35 114.50 1i2u s TYR 27 Ca 0.00 0.08 -0.01 0.00 -1.01 0.00 0.00 57.07 56.13 1i2u s TYR 27 Cb 0.00 -3.53 -0.01 0.00 -0.11 0.00 0.00 41.96 38.31 1i2u s TYR 27 CO 0.00 -2.10 0.40 0.87 -1.11 0.00 0.00 175.55 173.60 1i2u h LYS 28 N -1.05 -0.04 -3.06 -0.62 1.57 -1.88 -3.39 116.57 108.11 1i2u h LYS 28 Ca -0.41 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.38 1i2u h LYS 28 Cb 1.26 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 33.55 1i2u h LYS 28 CO 0.42 -0.02 0.23 0.20 -0.57 0.00 0.00 179.45 179.70 1i2u s GLY 29 N -1.71 0.24 0.11 3.86 0.00 -1.26 -4.71 107.32 103.85 1i2u s GLY 29 Ca -0.01 -0.62 -0.22 0.00 0.00 0.00 0.00 44.72 43.88 1i2u s GLY 29 CO 0.02 -0.26 0.53 -0.32 0.00 0.00 0.00 173.10 173.07 1i2u s GLY 30 N -3.02 -0.48 0.33 0.20 0.00 -1.26 -0.03 107.32 103.07 1i2u s GLY 30 Ca 0.15 0.44 -0.06 0.00 0.00 0.00 0.00 44.72 45.24 1i2u s GLY 30 CO 0.10 0.13 0.52 -2.38 0.00 0.00 0.00 173.10 171.47 1i2u s HIS 31 N -3.24 0.79 0.46 1.90 -3.43 0.35 -2.72 115.29 109.41 1i2u s HIS 31 Ca -0.01 -1.11 -0.10 0.00 -0.80 0.00 0.00 55.06 53.03 1i2u s HIS 31 Cb -0.00 0.10 -0.06 0.00 -1.43 0.00 0.00 32.58 31.19 1i2u s HIS 31 CO -0.08 -1.17 0.84 0.00 -2.00 0.00 0.00 174.74 172.33 1i2u n GLY 33 N -1.71 -1.62 0.96 0.00 0.00 0.34 -4.74 105.19 98.41 1i2u n GLY 33 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 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 -4.73 1.61 7.64 -1.26 -5.02 113.62 111.86 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 0.24 -0.04 0.00 -1.01 0.00 0.00 64.21 63.40 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 -0.66 3.62 -0.06 1.43 5.36 -1.26 -3.65 117.98 122.75 1i2u s PHE 35 Ca 0.00 1.60 0.00 0.00 -0.96 0.00 0.00 56.93 57.57 1i2u s PHE 35 Cb 0.00 -3.24 0.00 0.00 -0.34 0.00 0.00 43.02 39.44 1i2u s PHE 35 CO 0.00 -0.49 0.00 0.00 -1.46 0.00 0.00 175.22 173.27 1i2u n ALA 36 N 2.91 -0.34 -2.94 11.12 0.00 -1.26 -3.60 120.51 126.39 1i2u n ALA 36 Ca 0.04 0.01 -0.00 0.00 0.00 0.00 0.00 53.44 53.49 1i2u n ALA 36 Cb 0.47 -0.39 -0.00 0.00 0.00 0.00 0.00 19.45 19.53 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 0.09 -6.98 -0.06 0.00 3.02 -1.24 -4.93 115.26 105.17 1i2u n ASN 37 Ca -0.01 0.95 -0.09 0.00 -0.03 0.00 0.00 54.58 55.41 1i2u n ASN 37 Cb 0.19 -3.49 -0.06 0.00 -0.61 0.00 0.00 39.78 35.81 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 1.11 0.70 -4.06 2.41 0.24 -1.24 -3.92 118.33 113.58 1i2u n VAL 38 Ca -0.02 -0.26 -0.08 0.00 -2.04 0.00 0.00 64.34 61.93 1i2u n VAL 38 Cb 0.26 -0.98 -0.10 0.00 -1.47 0.00 0.00 33.84 31.54 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 -5.26 0.50 -0.24 -1.34 0.02 -1.26 -1.20 114.94 106.17 1i2u s ASN 39 Ca -0.17 -0.81 -0.06 0.00 -1.02 0.00 0.00 52.86 50.81 1i2u s ASN 39 Cb 0.04 0.14 -0.02 0.00 0.02 0.00 0.00 41.25 41.44 1i2u s ASN 39 CO 0.28 -0.46 0.03 0.00 0.02 0.00 0.00 177.10 176.97 1i2u s TRP 41 N 1.55 2.85 0.25 0.00 0.52 0.62 -3.20 118.94 121.54 1i2u s TRP 41 Ca 0.06 -0.08 0.07 0.00 0.02 0.00 0.00 56.10 56.17 1i2u s TRP 41 Cb -0.15 -1.55 -0.03 0.00 -1.15 0.00 0.00 33.47 30.59 1i2u s TRP 41 CO 0.01 0.39 0.23 0.00 0.02 0.00 0.00 176.95 177.60 1i2u n GLU 43 N -1.22 2.28 0.00 0.00 4.71 0.96 -1.15 120.64 126.22 1i2u n GLU 43 Ca -0.08 -1.75 0.10 0.00 -0.01 0.00 0.00 57.16 55.42 1i2u n GLU 43 Cb 0.58 -1.77 0.60 0.00 -1.01 0.00 0.00 31.44 29.84 1i2u n GLU 43 CO 0.00 0.00 0.00 0.25 0.09 0.00 0.00 177.13 177.47