#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 2.85 -0.31 0.11 2.47 0.09 -4.87 119.74 120.08 1i2u s LYS 2 Ca 0.00 -0.96 -0.29 0.00 -1.56 0.00 0.00 55.97 53.16 1i2u s LYS 2 Cb 0.00 -2.89 0.00 0.00 -1.46 0.00 0.00 37.83 33.48 1i2u s LYS 2 CO 0.00 -0.36 1.27 -1.17 0.16 0.00 0.00 175.35 175.25 1i2u s LEU 3 N 1.31 3.87 -0.01 5.43 2.96 -1.26 -0.86 118.68 130.12 1i2u s LEU 3 Ca 0.01 1.15 0.15 0.00 -0.22 0.00 0.00 54.13 55.22 1i2u s LEU 3 Cb -0.16 -3.54 -0.19 0.00 0.50 0.00 0.00 46.19 42.80 1i2u s LEU 3 CO -0.06 -1.07 0.54 2.30 -1.32 0.00 0.00 176.35 176.74 1i2u n ILE 4 N 6.21 0.00 -3.76 6.68 -6.64 -1.18 -4.99 119.36 115.69 1i2u n ILE 4 Ca 0.14 -0.22 0.00 0.00 -1.77 0.00 0.00 62.75 60.91 1i2u n ILE 4 Cb 0.47 0.70 0.00 0.00 -1.44 0.00 0.00 39.64 39.37 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 -2.93 -0.24 0.66 3.28 0.00 -1.25 -5.02 107.32 101.83 1i2u s GLY 5 Ca 0.02 0.30 0.02 0.00 0.00 0.00 0.00 44.72 45.06 1i2u s GLY 5 CO 0.64 1.50 0.92 -0.45 0.00 0.00 0.00 173.10 175.71 1i2u s SER 6 N -3.20 4.63 -0.24 1.64 0.15 0.24 -1.01 113.70 115.91 1i2u s SER 6 Ca 0.18 -0.48 0.18 0.00 0.70 0.00 0.00 55.95 56.53 1i2u s SER 6 Cb 0.02 0.02 0.48 0.00 -1.71 0.00 0.00 66.02 64.83 1i2u s SER 6 CO -0.01 -1.66 1.15 0.00 1.20 0.00 0.00 173.24 173.92 1i2u s VAL 8 N -3.58 1.47 -0.59 0.00 1.01 -1.25 -3.84 120.40 113.62 1i2u s VAL 8 Ca 0.35 -2.04 -0.32 0.00 0.00 0.00 0.00 61.98 59.96 1i2u s VAL 8 Cb 0.36 -2.08 -0.14 0.00 0.00 0.00 0.00 36.38 34.52 1i2u s VAL 8 CO -0.03 -0.72 2.39 1.87 0.00 0.00 0.00 175.10 178.61 1i2u n TRP 9 N 4.27 1.21 0.00 5.22 -0.00 -1.26 -2.34 117.44 124.54 1i2u n TRP 9 Ca 0.02 0.31 0.00 0.00 -0.00 0.00 0.00 57.50 57.83 1i2u n TRP 9 Cb 0.40 -2.49 0.00 0.00 -0.00 0.00 0.00 31.31 29.21 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 6.48 1.01 3.91 5.87 0.00 -1.26 -5.14 105.19 116.06 1i2u n GLY 10 Ca 0.49 -0.02 -0.27 0.00 0.00 0.00 0.00 46.02 46.21 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 3.41 -0.11 4.61 0.00 -0.99 -4.96 121.76 123.73 1i2u s ALA 11 Ca 0.00 -0.51 -0.03 0.00 0.00 0.00 0.00 51.96 51.42 1i2u s ALA 11 Cb 0.00 -2.57 -0.07 0.00 0.00 0.00 0.00 23.12 20.48 1i2u s ALA 11 CO 0.00 -0.32 2.78 1.33 0.00 0.00 0.00 175.76 179.55 1i2u n VAL 12 N -2.20 2.70 -1.87 0.00 0.24 -1.26 -3.58 118.33 112.37 1i2u n VAL 12 Ca 0.00 -1.43 -0.01 0.00 -2.04 0.00 0.00 64.34 60.87 1i2u n VAL 12 Cb 0.55 -1.70 -0.01 0.00 -1.47 0.00 0.00 33.84 31.22 1i2u n VAL 12 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 1i2u n ASN 13 N 1.66 -0.10 -4.78 -1.34 3.02 -1.26 -5.05 115.26 107.42 1i2u n ASN 13 Ca 0.29 -0.96 -0.37 0.00 -0.03 0.00 0.00 54.58 53.51 1i2u n ASN 13 Cb 0.69 0.03 -0.02 0.00 -0.61 0.00 0.00 39.78 39.87 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 3.04 -0.33 3.10 5.04 -1.23 0.79 117.35 127.76 1i2u s TYR 14 Ca 0.00 1.58 -0.08 0.00 -2.44 0.00 0.00 57.07 56.13 1i2u s TYR 14 Cb 0.00 -3.27 0.02 0.00 0.35 0.00 0.00 41.96 39.07 1i2u s TYR 14 CO 0.00 -1.13 0.12 0.95 -1.34 0.00 0.00 175.55 174.15 1i2u s THR 15 N -1.60 4.04 0.03 4.34 -4.23 -0.88 -4.79 115.64 112.56 1i2u s THR 15 Ca 0.61 -0.89 -0.24 0.00 -1.18 0.00 0.00 61.69 59.99 1i2u s THR 15 Cb -0.26 -3.20 -0.17 0.00 1.34 0.00 0.00 72.50 70.21 1i2u s THR 15 CO 0.31 -0.09 1.46 -1.28 -0.54 0.00 0.00 174.62 174.49 1i2u h SER 16 N 8.27 0.04 -4.25 3.99 0.87 -1.95 -3.35 113.55 117.17 1i2u h SER 16 Ca -0.27 -0.30 -0.66 0.00 -1.23 0.00 0.00 61.79 59.33 1i2u h SER 16 Cb 1.11 -0.01 -0.39 0.00 -0.44 0.00 0.00 62.40 62.67 1i2u h SER 16 CO 0.62 0.33 -0.52 -0.62 -0.53 0.00 0.00 176.83 176.11 1i2u s ASP 17 N -5.54 4.70 0.09 6.23 -1.08 -1.26 -4.97 116.67 114.83 1i2u s ASP 17 Ca -0.15 -3.01 -0.23 0.00 -0.52 0.00 0.00 52.55 48.65 1i2u s ASP 17 Cb 0.04 -1.72 -0.08 0.00 -1.46 0.00 0.00 42.92 39.69 1i2u s ASP 17 CO 0.68 -0.27 1.38 0.00 0.52 0.00 0.00 175.17 177.47 1i2u h ASN 19 N -0.33 0.00 0.25 0.00 -0.00 -1.94 -1.03 115.58 112.54 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 0.44 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 38.76 1i2u h ASN 19 CO -0.37 0.43 -0.12 1.23 -0.00 0.00 0.00 177.43 178.60 1i2u h GLY 20 N 1.69 -0.35 0.80 1.57 0.00 -1.71 0.39 103.07 105.45 1i2u h GLY 20 Ca -0.00 0.13 -0.01 0.00 0.00 0.00 0.00 47.33 47.45 1i2u h GLY 20 CO 0.06 -0.13 -0.05 -2.09 0.00 0.00 0.00 176.54 174.33 1i2u h GLU 21 N -0.37 -0.14 -0.64 4.80 4.57 -0.50 -1.06 114.58 121.24 1i2u h GLU 21 Ca -0.03 0.01 0.13 0.00 -1.18 0.00 0.00 59.36 58.28 1i2u h GLU 21 Cb 0.29 0.03 -0.12 0.00 -0.16 0.00 0.00 28.75 28.79 1i2u h GLU 21 CO 0.06 0.09 -0.14 0.00 -1.18 0.00 0.00 179.01 177.84 1i2u h LYS 23 N 0.01 0.21 -0.11 0.00 1.63 -0.01 0.23 116.57 118.53 1i2u h LYS 23 Ca 0.31 -0.01 0.03 0.00 -0.85 0.00 0.00 60.65 60.13 1i2u h LYS 23 Cb 0.48 -0.05 -0.00 0.00 -0.60 0.00 0.00 32.23 32.06 1i2u h LYS 23 CO -0.64 0.14 0.17 -0.09 -3.45 0.00 0.00 179.45 175.58 1i2u h ARG 24 N 0.22 0.00 -0.44 1.90 1.12 0.57 0.28 114.38 118.03 1i2u h ARG 24 Ca 0.11 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.98 1i2u h ARG 24 Cb 0.07 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.03 1i2u h ARG 24 CO -0.11 0.00 0.00 0.54 -3.11 0.00 0.00 179.97 177.29 1i2u n ARG 25 N -3.58 2.03 -1.21 0.20 1.74 0.67 -4.86 116.66 111.66 1i2u n ARG 25 Ca -0.00 -1.44 -0.07 0.00 -0.77 0.00 0.00 57.85 55.57 1i2u n ARG 25 Cb 0.27 -1.37 -0.03 0.00 -1.02 0.00 0.00 32.46 30.31 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 1.04 0.90 3.91 -0.13 0.00 0.98 -4.99 105.19 106.89 1i2u n GLY 26 Ca 0.13 -0.35 -0.27 0.00 0.00 0.00 0.00 46.02 45.53 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 -2.10 3.53 0.36 1.61 2.02 -0.42 -4.98 117.35 117.38 1i2u s TYR 27 Ca 0.00 0.73 0.15 0.00 -0.37 0.00 0.00 57.07 57.58 1i2u s TYR 27 Cb 0.00 -2.22 0.83 0.00 -0.40 0.00 0.00 41.96 40.17 1i2u s TYR 27 CO 0.00 -0.13 1.86 1.57 -1.57 0.00 0.00 175.55 177.28 1i2u h LYS 28 N 0.60 0.00 0.00 -0.62 2.10 -1.94 -3.37 116.57 113.34 1i2u h LYS 28 Ca -0.48 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.17 1i2u h LYS 28 Cb 1.20 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.53 1i2u h LYS 28 CO 0.62 0.33 0.00 0.41 -2.00 0.00 0.00 179.45 178.81 1i2u n GLY 29 N -0.47 2.13 0.00 0.07 0.00 -1.26 -4.93 105.19 100.73 1i2u n GLY 29 Ca -0.02 -1.40 0.00 0.00 0.00 0.00 0.00 46.02 44.60 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 -1.42 3.80 3.81 -0.02 0.00 -1.26 -0.42 105.19 109.67 1i2u n GLY 30 Ca 0.00 -1.01 0.01 0.00 0.00 0.00 0.00 46.02 45.02 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 -2.36 -0.01 0.52 1.61 -3.43 0.12 -4.50 115.29 107.25 1i2u s HIS 31 Ca 0.00 -0.16 -0.08 0.00 -0.80 0.00 0.00 55.06 54.02 1i2u s HIS 31 Cb 0.00 0.58 -0.04 0.00 -1.43 0.00 0.00 32.58 31.69 1i2u s HIS 31 CO 0.00 -0.40 0.86 0.00 -2.00 0.00 0.00 174.74 173.20 1i2u n GLY 33 N -2.32 -1.66 1.57 0.00 0.00 0.39 -4.73 105.19 98.44 1i2u n GLY 33 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 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 -4.71 1.61 7.64 -1.26 -4.97 113.62 111.92 1i2u n SER 34 Ca 0.00 0.00 -0.42 0.00 1.01 0.00 0.00 58.87 59.46 1i2u n SER 34 Cb 0.00 0.39 -0.03 0.00 -1.01 0.00 0.00 64.21 63.56 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 -0.97 3.42 0.00 1.43 2.19 -1.26 -3.54 117.98 119.25 1i2u s PHE 35 Ca 0.00 1.30 0.00 0.00 0.33 0.00 0.00 56.93 58.56 1i2u s PHE 35 Cb 0.00 -3.42 0.00 0.00 -1.31 0.00 0.00 43.02 38.29 1i2u s PHE 35 CO 0.00 -1.26 0.00 0.00 1.83 0.00 0.00 175.22 175.79 1i2u n ALA 36 N 4.02 -0.69 -2.74 11.12 0.00 -1.26 -3.47 120.51 127.49 1i2u n ALA 36 Ca 0.09 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.50 1i2u n ALA 36 Cb 0.46 -0.39 -0.03 0.00 0.00 0.00 0.00 19.45 19.50 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 -0.87 -3.94 -0.06 0.00 3.02 -1.23 -4.88 115.26 107.31 1i2u n ASN 37 Ca 0.00 1.27 -0.09 0.00 -0.03 0.00 0.00 54.58 55.73 1i2u n ASN 37 Cb 0.35 -4.60 -0.05 0.00 -0.61 0.00 0.00 39.78 34.87 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 1.49 0.67 -3.81 2.41 0.24 -1.23 -3.83 118.33 114.27 1i2u n VAL 38 Ca -0.22 -0.25 -0.12 0.00 -2.04 0.00 0.00 64.34 61.71 1i2u n VAL 38 Cb 0.38 -1.00 -0.10 0.00 -1.47 0.00 0.00 33.84 31.65 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 -5.25 -0.13 -0.41 -1.34 0.01 -1.26 -1.07 114.94 105.49 1i2u s ASN 39 Ca -0.16 0.10 -0.17 0.00 -0.71 0.00 0.00 52.86 51.92 1i2u s ASN 39 Cb 0.04 0.33 0.02 0.00 0.41 0.00 0.00 41.25 42.05 1i2u s ASN 39 CO 0.26 -0.31 0.43 0.00 -1.51 0.00 0.00 177.10 175.98 1i2u s TRP 41 N 2.13 3.45 0.33 0.00 0.52 0.12 -3.07 118.94 122.41 1i2u s TRP 41 Ca 0.12 0.32 0.08 0.00 0.02 0.00 0.00 56.10 56.64 1i2u s TRP 41 Cb -0.17 -1.81 -0.04 0.00 -1.15 0.00 0.00 33.47 30.30 1i2u s TRP 41 CO 0.13 0.62 0.14 0.00 0.02 0.00 0.00 176.95 177.86 1i2u h GLU 43 N 1.56 0.10 0.00 0.00 3.07 -1.04 0.29 114.58 118.56 1i2u h GLU 43 Ca -0.44 -0.18 0.00 0.00 -0.50 0.00 0.00 59.36 58.24 1i2u h GLU 43 Cb 1.25 0.07 0.00 0.00 -0.84 0.00 0.00 28.75 29.23 1i2u h GLU 43 CO 0.62 1.09 0.00 0.25 -1.40 0.00 0.00 179.01 179.57