#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 3.25 -0.41 -1.24 1.02 0.24 -4.77 119.74 117.82 1i2u s LYS 2 Ca 0.00 -0.71 -0.29 0.00 0.02 0.00 0.00 55.97 54.99 1i2u s LYS 2 Cb 0.00 -2.76 0.02 0.00 -0.52 0.00 0.00 37.83 34.57 1i2u s LYS 2 CO 0.00 -0.09 1.21 -1.17 -0.92 0.00 0.00 175.35 174.38 1i2u s LEU 3 N 1.11 3.71 0.00 3.17 0.20 -1.26 0.11 118.68 125.72 1i2u s LEU 3 Ca 0.01 0.75 0.16 0.00 0.69 0.00 0.00 54.13 55.74 1i2u s LEU 3 Cb -0.14 -3.55 -0.14 0.00 -0.43 0.00 0.00 46.19 41.93 1i2u s LEU 3 CO -0.04 -1.21 0.71 2.30 -0.29 0.00 0.00 176.35 177.83 1i2u n ILE 4 N 6.64 0.00 -3.94 6.68 -6.64 -1.01 -4.97 119.36 116.12 1i2u n ILE 4 Ca 0.13 -0.16 0.01 0.00 -1.77 0.00 0.00 62.75 60.96 1i2u n ILE 4 Cb 0.48 1.04 0.01 0.00 -1.44 0.00 0.00 39.64 39.73 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 1.34 0.40 1.65 3.28 0.00 -1.23 -5.03 105.19 105.61 1i2u n GLY 5 Ca 0.04 -1.04 -0.09 0.00 0.00 0.00 0.00 46.02 44.93 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 -0.98 0.65 -0.43 1.61 2.88 0.19 -1.16 113.62 116.39 1i2u n SER 6 Ca 0.02 -1.52 0.00 0.00 -1.33 0.00 0.00 58.87 56.04 1i2u n SER 6 Cb 0.48 -0.25 0.00 0.00 -0.75 0.00 0.00 64.21 63.68 1i2u n SER 6 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1i2u n VAL 8 N 0.00 0.00 -2.77 0.00 0.31 -1.19 -3.78 118.33 110.90 1i2u n VAL 8 Ca 0.00 0.00 0.01 0.00 -0.01 0.00 0.00 64.34 64.34 1i2u n VAL 8 Cb 0.61 0.00 0.01 0.00 -0.91 0.00 0.00 33.84 33.55 1i2u n VAL 8 CO 0.00 0.00 0.00 0.86 -1.32 0.00 0.00 176.83 176.37 1i2u s TRP 9 N 0.65 -0.43 0.00 3.52 -0.11 -1.26 -4.98 118.94 116.33 1i2u s TRP 9 Ca 0.00 0.02 0.00 0.00 1.22 0.00 0.00 56.10 57.34 1i2u s TRP 9 Cb 0.00 0.08 0.00 0.00 -1.50 0.00 0.00 33.47 32.05 1i2u s TRP 9 CO 0.00 -0.30 0.00 0.41 -4.62 0.00 0.00 176.95 172.44 1i2u n GLY 10 N 3.51 1.00 3.84 5.86 0.00 -1.26 -5.13 105.19 113.01 1i2u n GLY 10 Ca 0.07 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.21 3.03 -0.18 4.61 0.00 -1.26 -4.93 121.76 122.83 1i2u s ALA 11 Ca 0.00 0.18 -0.02 0.00 0.00 0.00 0.00 51.96 52.11 1i2u s ALA 11 Cb 0.00 -3.13 0.01 0.00 0.00 0.00 0.00 23.12 20.00 1i2u s ALA 11 CO 0.00 -0.35 2.53 1.55 0.00 0.00 0.00 175.76 179.49 1i2u n VAL 12 N -1.76 2.71 -1.79 0.00 3.14 -1.26 -3.51 118.33 115.86 1i2u n VAL 12 Ca 0.07 -1.53 0.00 0.00 -2.96 0.00 0.00 64.34 59.91 1i2u n VAL 12 Cb 0.54 -1.59 0.00 0.00 -1.06 0.00 0.00 33.84 31.73 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 1.28 0.00 -4.78 6.55 3.02 -1.26 -5.05 115.26 115.02 1i2u n ASN 13 Ca 0.28 -1.03 -0.37 0.00 -0.03 0.00 0.00 54.58 53.43 1i2u n ASN 13 Cb 0.63 -0.01 -0.05 0.00 -0.61 0.00 0.00 39.78 39.75 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 3.40 -0.37 3.10 5.04 -1.23 0.56 117.35 127.85 1i2u s TYR 14 Ca 0.00 1.68 -0.08 0.00 -2.44 0.00 0.00 57.07 56.23 1i2u s TYR 14 Cb 0.00 -3.12 0.06 0.00 0.35 0.00 0.00 41.96 39.25 1i2u s TYR 14 CO 0.00 -0.45 0.18 0.95 -1.34 0.00 0.00 175.55 174.88 1i2u s THR 15 N -1.56 4.01 0.32 4.34 -4.23 -1.21 -4.83 115.64 112.48 1i2u s THR 15 Ca 0.54 -1.24 0.01 0.00 -1.18 0.00 0.00 61.69 59.82 1i2u s THR 15 Cb -0.23 -3.36 0.27 0.00 1.34 0.00 0.00 72.50 70.53 1i2u s THR 15 CO 0.29 -0.33 1.96 -1.28 -0.54 0.00 0.00 174.62 174.73 1i2u h SER 16 N 8.30 0.85 -3.71 3.99 0.87 -1.95 -3.30 113.55 118.61 1i2u h SER 16 Ca -0.23 -0.01 -0.62 0.00 -1.23 0.00 0.00 61.79 59.70 1i2u h SER 16 Cb 1.08 -0.20 -0.40 0.00 -0.44 0.00 0.00 62.40 62.44 1i2u h SER 16 CO 0.67 0.59 -0.71 -0.62 -0.53 0.00 0.00 176.83 176.23 1i2u s ASP 17 N -6.24 3.81 0.17 6.23 -1.08 -1.26 -4.99 116.67 113.30 1i2u s ASP 17 Ca -0.11 -2.72 -0.23 0.00 -0.52 0.00 0.00 52.55 48.97 1i2u s ASP 17 Cb 0.19 -1.18 0.07 0.00 -1.46 0.00 0.00 42.92 40.53 1i2u s ASP 17 CO 0.79 -0.26 1.60 0.00 0.52 0.00 0.00 175.17 177.81 1i2u h ASN 19 N -0.24 0.36 0.05 0.00 -0.00 -1.92 0.22 115.58 114.05 1i2u h ASN 19 Ca 0.18 -0.12 0.02 0.00 -0.00 0.00 0.00 56.30 56.38 1i2u h ASN 19 Cb 0.54 -0.10 -0.04 0.00 -0.00 0.00 0.00 38.32 38.73 1i2u h ASN 19 CO -0.56 0.65 -0.23 1.23 -0.00 0.00 0.00 177.43 178.51 1i2u h GLY 20 N 1.06 -0.38 0.80 1.57 0.00 -1.36 0.31 103.07 105.08 1i2u h GLY 20 Ca 0.04 0.27 -0.00 0.00 0.00 0.00 0.00 47.33 47.64 1i2u h GLY 20 CO 0.05 -0.20 -0.03 -2.09 0.00 0.00 0.00 176.54 174.27 1i2u h GLU 21 N -0.39 -0.08 -0.50 4.80 4.57 -0.86 -0.59 114.58 121.54 1i2u h GLU 21 Ca 0.05 0.01 0.10 0.00 -1.18 0.00 0.00 59.36 58.33 1i2u h GLU 21 Cb 0.45 0.02 -0.10 0.00 -0.16 0.00 0.00 28.75 28.95 1i2u h GLU 21 CO -0.18 0.13 -0.21 0.00 -1.18 0.00 0.00 179.01 177.57 1i2u h LYS 23 N -0.10 1.18 -0.04 0.00 1.57 -0.29 0.19 116.57 119.09 1i2u h LYS 23 Ca 0.23 -0.12 0.01 0.00 -1.87 0.00 0.00 60.65 58.90 1i2u h LYS 23 Cb 0.46 -0.24 -0.00 0.00 0.08 0.00 0.00 32.23 32.53 1i2u h LYS 23 CO -0.56 0.85 0.04 -0.09 -0.57 0.00 0.00 179.45 179.12 1i2u h ARG 24 N 1.19 0.00 -0.55 3.15 2.43 0.14 0.11 114.38 120.84 1i2u h ARG 24 Ca 0.31 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.48 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 -0.05 0.00 0.00 0.54 -1.51 0.00 0.00 179.97 178.95 1i2u n ARG 25 N -3.80 2.52 -1.04 0.20 1.74 0.79 -4.87 116.66 112.21 1i2u n ARG 25 Ca -0.02 -1.80 -0.01 0.00 -0.77 0.00 0.00 57.85 55.24 1i2u n ARG 25 Cb 0.13 -1.56 -0.01 0.00 -1.02 0.00 0.00 32.46 30.01 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 1.00 0.42 0.65 -0.13 0.00 0.38 -5.00 105.19 102.52 1i2u n GLY 26 Ca 0.16 -0.11 -0.05 0.00 0.00 0.00 0.00 46.02 46.02 1i2u n GLY 26 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1i2u n TYR 27 N -2.65 -3.83 -0.09 1.61 4.01 -0.33 -4.99 117.16 110.90 1i2u n TYR 27 Ca -0.01 -0.22 -0.12 0.00 -0.16 0.00 0.00 57.90 57.39 1i2u n TYR 27 Cb 0.20 -0.16 -0.15 0.00 -0.31 0.00 0.00 39.34 38.92 1i2u n TYR 27 CO 0.00 0.00 0.00 0.36 -0.46 0.00 0.00 176.86 176.76 1i2u n LYS 28 N -1.43 0.68 0.00 -0.72 2.85 -1.26 -4.47 118.16 113.80 1i2u n LYS 28 Ca 0.03 0.09 0.00 0.00 -1.05 0.00 0.00 58.31 57.38 1i2u n LYS 28 Cb 0.10 -1.58 0.00 0.00 -0.65 0.00 0.00 35.03 32.90 1i2u n LYS 28 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1i2u n GLY 29 N 1.82 1.93 2.90 2.58 0.00 -1.26 -4.84 105.19 108.32 1i2u n GLY 29 Ca -0.32 -0.98 -0.06 0.00 0.00 0.00 0.00 46.02 44.65 1i2u n GLY 29 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1i2u n GLY 30 N -0.78 1.14 3.77 -0.02 0.00 -1.26 -0.04 105.19 108.00 1i2u n GLY 30 Ca 0.00 -1.18 0.04 0.00 0.00 0.00 0.00 46.02 44.87 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 -3.63 -0.00 0.80 1.61 -3.43 0.10 -3.47 115.29 107.27 1i2u s HIS 31 Ca 0.13 -0.03 -0.12 0.00 -0.80 0.00 0.00 55.06 54.24 1i2u s HIS 31 Cb -0.04 0.52 0.07 0.00 -1.43 0.00 0.00 32.58 31.70 1i2u s HIS 31 CO 0.08 -0.08 1.11 0.00 -2.00 0.00 0.00 174.74 173.85 1i2u n GLY 33 N -2.31 -1.93 0.00 0.00 0.00 -1.08 -4.78 105.19 95.09 1i2u n GLY 33 Ca 0.07 0.90 0.00 0.00 0.00 0.00 0.00 46.02 46.99 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 -4.77 1.61 7.64 -1.26 -4.87 113.62 111.97 1i2u n SER 34 Ca 0.00 0.00 -0.39 0.00 1.01 0.00 0.00 58.87 59.49 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 -1.22 3.71 -0.74 1.43 5.36 -1.26 -4.06 117.98 121.20 1i2u s PHE 35 Ca 0.00 1.20 -0.07 0.00 -0.96 0.00 0.00 56.93 57.09 1i2u s PHE 35 Cb 0.00 -2.57 0.07 0.00 -0.34 0.00 0.00 43.02 40.18 1i2u s PHE 35 CO 0.00 0.41 0.22 0.00 -1.46 0.00 0.00 175.22 174.39 1i2u n ALA 36 N 2.50 -1.05 -2.77 11.12 0.00 -1.26 -3.12 120.51 125.93 1i2u n ALA 36 Ca -0.08 -0.04 -0.01 0.00 0.00 0.00 0.00 53.44 53.32 1i2u n ALA 36 Cb 0.51 -1.41 0.00 0.00 0.00 0.00 0.00 19.45 18.56 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 -1.88 -7.93 0.00 0.00 3.02 -1.26 -4.88 115.26 102.33 1i2u n ASN 37 Ca 0.02 1.28 0.00 0.00 -0.03 0.00 0.00 54.58 55.84 1i2u n ASN 37 Cb 0.50 -5.07 0.00 0.00 -0.61 0.00 0.00 39.78 34.61 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 0.65 0.00 -4.30 2.41 0.24 -1.18 -3.18 118.33 112.97 1i2u n VAL 38 Ca 0.01 0.00 -0.18 0.00 -2.04 0.00 0.00 64.34 62.13 1i2u n VAL 38 Cb 0.08 -0.41 -0.14 0.00 -1.47 0.00 0.00 33.84 31.91 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 -2.06 1.08 -0.25 -1.34 0.01 -1.26 0.93 114.94 112.06 1i2u s ASN 39 Ca 0.00 -0.26 -0.06 0.00 -0.71 0.00 0.00 52.86 51.83 1i2u s ASN 39 Cb 0.00 -0.09 -0.01 0.00 0.41 0.00 0.00 41.25 41.56 1i2u s ASN 39 CO 0.00 0.05 0.04 0.00 -1.51 0.00 0.00 177.10 175.68 1i2u s TRP 41 N 1.55 3.16 0.39 0.00 0.52 0.41 -2.39 118.94 122.57 1i2u s TRP 41 Ca 0.05 -0.05 0.08 0.00 0.02 0.00 0.00 56.10 56.20 1i2u s TRP 41 Cb -0.15 -1.47 -0.05 0.00 -1.15 0.00 0.00 33.47 30.65 1i2u s TRP 41 CO 0.01 0.52 0.16 0.00 0.02 0.00 0.00 176.95 177.66 1i2u h GLU 43 N 1.49 0.03 0.00 0.00 4.39 -0.76 0.70 114.58 120.43 1i2u h GLU 43 Ca -0.43 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.22 1i2u h GLU 43 Cb 1.25 0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.92 1i2u h GLU 43 CO 0.68 0.74 0.00 -2.37 -1.16 0.00 0.00 179.01 176.90