#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 3.54 -0.29 -1.24 2.47 -0.08 -4.84 119.74 119.30 1i2u s LYS 2 Ca 0.00 -0.57 -0.28 0.00 -1.56 0.00 0.00 55.97 53.56 1i2u s LYS 2 Cb 0.00 -3.00 0.01 0.00 -1.46 0.00 0.00 37.83 33.39 1i2u s LYS 2 CO 0.00 0.00 1.03 -1.17 0.16 0.00 0.00 175.35 175.37 1i2u s LEU 3 N 0.99 4.01 0.00 5.43 2.96 -1.26 -0.33 118.68 130.48 1i2u s LEU 3 Ca 0.01 1.12 0.02 0.00 -0.22 0.00 0.00 54.13 55.06 1i2u s LEU 3 Cb -0.15 -3.48 0.02 0.00 0.50 0.00 0.00 46.19 43.09 1i2u s LEU 3 CO 0.01 -0.77 0.64 2.30 -1.32 0.00 0.00 176.35 177.21 1i2u n ILE 4 N 5.63 0.15 -0.69 6.68 -6.64 -1.18 -4.99 119.36 118.31 1i2u n ILE 4 Ca 0.11 -0.57 0.00 0.00 -1.77 0.00 0.00 62.75 60.51 1i2u n ILE 4 Cb 0.47 0.96 0.00 0.00 -1.44 0.00 0.00 39.64 39.63 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 0.05 -1.64 0.00 3.28 0.00 -1.25 -4.99 105.19 100.64 1i2u n GLY 5 Ca 0.01 -1.08 0.00 0.00 0.00 0.00 0.00 46.02 44.95 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 1.03 0.26 -1.47 1.61 2.88 0.62 -1.22 113.62 117.34 1i2u n SER 6 Ca 0.00 -0.43 -0.02 0.00 -1.33 0.00 0.00 58.87 57.09 1i2u n SER 6 Cb 0.00 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 63.45 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 -0.26 2.96 -0.93 0.00 1.01 -1.23 -3.81 120.40 118.15 1i2u s VAL 8 Ca 0.15 -2.66 -0.21 0.00 0.00 0.00 0.00 61.98 59.27 1i2u s VAL 8 Cb 0.21 -3.04 -0.24 0.00 0.00 0.00 0.00 36.38 33.30 1i2u s VAL 8 CO -0.08 -0.74 2.42 0.79 0.00 0.00 0.00 175.10 177.49 1i2u n TRP 9 N 3.88 0.49 0.00 5.22 7.02 -1.26 -1.30 117.44 131.49 1i2u n TRP 9 Ca 0.04 0.16 0.00 0.00 -1.02 0.00 0.00 57.50 56.67 1i2u n TRP 9 Cb 0.38 -1.67 0.00 0.00 -2.42 0.00 0.00 31.31 27.61 1i2u n TRP 9 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1i2u n GLY 10 N 6.08 0.80 3.87 6.99 0.00 -1.26 -5.14 105.19 116.53 1i2u n GLY 10 Ca 0.62 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 46.33 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 3.23 -0.15 4.61 0.00 -0.42 -4.94 121.76 124.10 1i2u s ALA 11 Ca 0.00 -0.11 -0.02 0.00 0.00 0.00 0.00 51.96 51.83 1i2u s ALA 11 Cb 0.00 -2.87 -0.01 0.00 0.00 0.00 0.00 23.12 20.23 1i2u s ALA 11 CO 0.00 -0.23 2.57 1.55 0.00 0.00 0.00 175.76 179.65 1i2u n VAL 12 N -1.73 2.66 -1.98 0.00 3.14 -1.26 -3.55 118.33 115.61 1i2u n VAL 12 Ca 0.04 -1.43 0.00 0.00 -2.96 0.00 0.00 64.34 59.99 1i2u n VAL 12 Cb 0.54 -1.61 0.00 0.00 -1.06 0.00 0.00 33.84 31.71 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 1.40 0.00 -4.79 6.55 3.02 -1.26 -5.07 115.26 115.12 1i2u n ASN 13 Ca 0.26 -0.98 -0.36 0.00 -0.03 0.00 0.00 54.58 53.47 1i2u n ASN 13 Cb 0.64 0.00 -0.05 0.00 -0.61 0.00 0.00 39.78 39.76 1i2u n ASN 13 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 1i2u s TYR 14 N 0.00 3.33 -0.28 3.10 5.04 -1.23 -0.28 117.35 127.03 1i2u s TYR 14 Ca 0.00 1.66 -0.08 0.00 -2.44 0.00 0.00 57.07 56.21 1i2u s TYR 14 Cb 0.00 -3.05 -0.01 0.00 0.35 0.00 0.00 41.96 39.25 1i2u s TYR 14 CO 0.00 -0.43 0.09 0.95 -1.34 0.00 0.00 175.55 174.83 1i2u s THR 15 N -1.73 4.24 0.34 4.34 -4.23 -1.25 -4.86 115.64 112.49 1i2u s THR 15 Ca 0.57 -0.45 0.05 0.00 -1.18 0.00 0.00 61.69 60.69 1i2u s THR 15 Cb -0.20 -3.11 0.30 0.00 1.34 0.00 0.00 72.50 70.83 1i2u s THR 15 CO 0.25 0.17 1.90 -1.28 -0.54 0.00 0.00 174.62 175.12 1i2u h SER 16 N 8.27 0.74 -2.98 3.99 0.87 -1.96 -3.31 113.55 119.17 1i2u h SER 16 Ca -0.34 0.02 -0.58 0.00 -1.23 0.00 0.00 61.79 59.66 1i2u h SER 16 Cb 1.15 -0.13 -0.40 0.00 -0.44 0.00 0.00 62.40 62.58 1i2u h SER 16 CO 0.60 0.43 -0.79 -0.62 -0.53 0.00 0.00 176.83 175.92 1i2u s ASP 17 N -5.95 3.45 0.13 6.23 -1.08 -1.26 -5.02 116.67 113.17 1i2u s ASP 17 Ca -0.10 -2.06 -0.32 0.00 -0.52 0.00 0.00 52.55 49.55 1i2u s ASP 17 Cb 0.21 -0.65 -0.09 0.00 -1.46 0.00 0.00 42.92 40.93 1i2u s ASP 17 CO 0.79 -0.34 1.56 0.00 0.52 0.00 0.00 175.17 177.70 1i2u h ASN 19 N -0.45 0.82 -0.16 0.00 -0.00 -1.93 -0.87 115.58 113.00 1i2u h ASN 19 Ca 0.08 -0.43 0.05 0.00 -0.00 0.00 0.00 56.30 55.99 1i2u h ASN 19 Cb 0.63 -0.23 -0.05 0.00 -0.00 0.00 0.00 38.32 38.66 1i2u h ASN 19 CO -0.53 1.19 -0.18 1.23 -0.00 0.00 0.00 177.43 179.14 1i2u h GLY 20 N 0.86 -0.11 0.93 1.57 0.00 -1.77 0.25 103.07 104.81 1i2u h GLY 20 Ca 0.02 0.22 -0.01 0.00 0.00 0.00 0.00 47.33 47.56 1i2u h GLY 20 CO 0.11 -0.17 -0.09 -2.09 0.00 0.00 0.00 176.54 174.30 1i2u h GLU 21 N -0.21 -0.24 -0.66 4.80 4.57 -0.39 -1.29 114.58 121.15 1i2u h GLU 21 Ca 0.11 0.02 0.12 0.00 -1.18 0.00 0.00 59.36 58.43 1i2u h GLU 21 Cb 0.37 0.05 -0.13 0.00 -0.16 0.00 0.00 28.75 28.89 1i2u h GLU 21 CO -0.29 -0.10 -0.28 0.00 -1.18 0.00 0.00 179.01 177.16 1i2u h LYS 23 N -0.09 0.32 -0.23 0.00 1.63 -0.34 0.27 116.57 118.13 1i2u h LYS 23 Ca 0.28 -0.02 0.07 0.00 -0.85 0.00 0.00 60.65 60.13 1i2u h LYS 23 Cb 0.55 -0.07 -0.01 0.00 -0.60 0.00 0.00 32.23 32.09 1i2u h LYS 23 CO -0.72 0.21 0.22 -0.09 -3.45 0.00 0.00 179.45 175.62 1i2u h ARG 24 N 0.33 0.00 -0.35 1.90 2.43 0.71 0.23 114.38 119.63 1i2u h ARG 24 Ca 0.14 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.31 1i2u h ARG 24 Cb 0.06 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.61 1i2u h ARG 24 CO -0.11 0.00 0.00 0.54 -1.51 0.00 0.00 179.97 178.89 1i2u n ARG 25 N -3.96 1.81 -1.08 0.20 1.74 0.12 -4.87 116.66 110.62 1i2u n ARG 25 Ca 0.03 -1.25 -0.03 0.00 -0.77 0.00 0.00 57.85 55.83 1i2u n ARG 25 Cb 0.35 -1.27 -0.01 0.00 -1.02 0.00 0.00 32.46 30.51 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 1.05 0.54 3.95 -0.13 0.00 0.82 -5.00 105.19 106.41 1i2u n GLY 26 Ca 0.12 -0.23 -0.23 0.00 0.00 0.00 0.00 46.02 45.68 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 -1.84 2.93 0.02 1.61 2.02 -0.45 -5.00 117.35 116.64 1i2u s TYR 27 Ca 0.00 0.20 -0.16 0.00 -0.37 0.00 0.00 57.07 56.74 1i2u s TYR 27 Cb 0.00 -2.86 -0.09 0.00 -0.40 0.00 0.00 41.96 38.61 1i2u s TYR 27 CO 0.00 -1.00 1.08 0.87 -1.57 0.00 0.00 175.55 174.93 1i2u h LYS 28 N -0.13 -0.54 -1.44 -0.62 6.56 -1.95 -3.38 116.57 115.07 1i2u h LYS 28 Ca -0.43 0.04 0.26 0.00 -1.06 0.00 0.00 60.65 59.46 1i2u h LYS 28 Cb 1.30 0.12 -0.19 0.00 -0.57 0.00 0.00 32.23 32.89 1i2u h LYS 28 CO 0.56 -0.36 0.83 0.20 -2.06 0.00 0.00 179.45 178.61 1i2u s GLY 29 N -1.67 -0.29 0.00 3.86 0.00 -1.26 -4.72 107.32 103.24 1i2u s GLY 29 Ca -0.08 1.61 0.00 0.00 0.00 0.00 0.00 44.72 46.24 1i2u s GLY 29 CO 0.25 0.53 0.00 0.61 0.00 0.00 0.00 173.10 174.49 1i2u n GLY 30 N -0.09 4.27 3.80 0.20 0.00 -1.26 -0.37 105.19 111.74 1i2u n GLY 30 Ca 0.01 -1.49 0.03 0.00 0.00 0.00 0.00 46.02 44.56 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 -2.12 -0.00 0.55 1.61 -3.43 0.39 -4.02 115.29 108.26 1i2u s HIS 31 Ca 0.00 -0.08 -0.16 0.00 -0.80 0.00 0.00 55.06 54.02 1i2u s HIS 31 Cb 0.00 0.54 -0.06 0.00 -1.43 0.00 0.00 32.58 31.63 1i2u s HIS 31 CO 0.00 -0.19 1.02 0.00 -2.00 0.00 0.00 174.74 173.57 1i2u n GLY 33 N -1.24 -1.79 0.67 0.00 0.00 0.27 -4.73 105.19 98.38 1i2u n GLY 33 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 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 -0.05 -4.69 1.61 7.64 -1.26 -5.00 113.62 111.87 1i2u n SER 34 Ca 0.00 0.02 -0.42 0.00 1.01 0.00 0.00 58.87 59.48 1i2u n SER 34 Cb 0.00 0.22 -0.03 0.00 -1.01 0.00 0.00 64.21 63.39 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 -1.03 2.04 0.00 1.43 5.36 -1.26 -2.70 117.98 121.81 1i2u s PHE 35 Ca 0.00 -0.05 0.00 0.00 -0.96 0.00 0.00 56.93 55.92 1i2u s PHE 35 Cb 0.00 -4.16 0.00 0.00 -0.34 0.00 0.00 43.02 38.52 1i2u s PHE 35 CO 0.00 -4.84 0.00 0.00 -1.46 0.00 0.00 175.22 168.92 1i2u n ALA 36 N 6.00 -0.67 -2.92 11.12 0.00 -1.26 -3.32 120.51 129.45 1i2u n ALA 36 Ca 0.18 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.61 1i2u n ALA 36 Cb 0.39 -0.36 -0.01 0.00 0.00 0.00 0.00 19.45 19.47 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 -0.92 -6.59 -0.02 0.00 3.02 -1.10 -4.95 115.26 104.70 1i2u n ASN 37 Ca 0.00 1.00 -0.04 0.00 -0.03 0.00 0.00 54.58 55.51 1i2u n ASN 37 Cb 0.34 -3.55 -0.02 0.00 -0.61 0.00 0.00 39.78 35.94 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 1.23 0.24 -4.29 2.41 3.14 -1.21 -4.01 118.33 115.83 1i2u n VAL 38 Ca -0.05 -0.08 -0.16 0.00 -2.96 0.00 0.00 64.34 61.10 1i2u n VAL 38 Cb 0.26 -1.16 -0.10 0.00 -1.06 0.00 0.00 33.84 31.78 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 -4.97 2.01 -0.20 6.55 0.01 -1.26 0.91 114.94 117.98 1i2u s ASN 39 Ca -0.06 -1.06 -0.03 0.00 -0.71 0.00 0.00 52.86 51.00 1i2u s ASN 39 Cb 0.02 -0.04 -0.01 0.00 0.41 0.00 0.00 41.25 41.63 1i2u s ASN 39 CO 0.09 -0.33 -0.06 0.00 -1.51 0.00 0.00 177.10 175.29 1i2u s TRP 41 N 1.25 2.58 0.36 0.00 0.52 0.10 -3.12 118.94 120.63 1i2u s TRP 41 Ca 0.03 -0.24 0.08 0.00 0.02 0.00 0.00 56.10 55.99 1i2u s TRP 41 Cb -0.14 -1.44 -0.04 0.00 -1.15 0.00 0.00 33.47 30.69 1i2u s TRP 41 CO -0.02 0.30 0.16 0.00 0.02 0.00 0.00 176.95 177.42 1i2u h GLU 43 N 1.49 -0.13 0.00 0.00 4.22 -1.00 -0.17 114.58 118.99 1i2u h GLU 43 Ca -0.43 0.01 0.00 0.00 0.08 0.00 0.00 59.36 59.02 1i2u h GLU 43 Cb 1.25 0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.53 1i2u h GLU 43 CO 0.64 -0.09 0.00 0.25 -2.18 0.00 0.00 179.01 177.64