#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 2.79 -0.21 -1.24 2.47 0.94 -4.80 119.74 119.69 1i2u s LYS 2 Ca 0.00 -0.63 -0.21 0.00 -1.56 0.00 0.00 55.97 53.56 1i2u s LYS 2 Cb 0.00 -2.52 -0.02 0.00 -1.46 0.00 0.00 37.83 33.83 1i2u s LYS 2 CO 0.00 0.55 0.66 -1.17 0.16 0.00 0.00 175.35 175.56 1i2u s LEU 3 N -0.53 4.12 -0.00 5.43 2.96 -1.26 0.87 118.68 130.28 1i2u s LEU 3 Ca 0.07 0.85 0.03 0.00 -0.22 0.00 0.00 54.13 54.87 1i2u s LEU 3 Cb -0.12 -2.94 -0.04 0.00 0.50 0.00 0.00 46.19 43.59 1i2u s LEU 3 CO 0.02 -0.32 0.12 2.30 -1.32 0.00 0.00 176.35 177.14 1i2u n ILE 4 N 4.85 0.00 -3.88 6.68 -6.64 -1.19 -4.98 119.36 114.20 1i2u n ILE 4 Ca -0.00 -0.31 -0.04 0.00 -1.77 0.00 0.00 62.75 60.64 1i2u n ILE 4 Cb 0.49 0.80 0.02 0.00 -1.44 0.00 0.00 39.64 39.52 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 1.50 0.65 0.00 3.28 0.00 -1.25 -5.04 105.19 104.32 1i2u n GLY 5 Ca 0.00 -1.16 0.00 0.00 0.00 0.00 0.00 46.02 44.87 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 -1.31 0.00 -1.66 1.61 2.88 0.14 -1.47 113.62 113.80 1i2u n SER 6 Ca -0.03 -0.67 -0.01 0.00 -1.33 0.00 0.00 58.87 56.83 1i2u n SER 6 Cb 0.57 0.00 0.01 0.00 -0.75 0.00 0.00 64.21 64.04 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 -0.52 2.97 -0.88 0.00 1.01 -1.25 -3.71 120.40 118.01 1i2u s VAL 8 Ca 0.18 -2.83 -0.26 0.00 0.00 0.00 0.00 61.98 59.07 1i2u s VAL 8 Cb 0.25 -3.03 -0.21 0.00 0.00 0.00 0.00 36.38 33.39 1i2u s VAL 8 CO -0.09 -0.77 2.52 1.87 0.00 0.00 0.00 175.10 178.64 1i2u n TRP 9 N 3.67 0.67 0.00 5.22 -0.00 -1.26 -1.10 117.44 124.64 1i2u n TRP 9 Ca 0.04 0.23 0.00 0.00 -0.00 0.00 0.00 57.50 57.78 1i2u n TRP 9 Cb 0.37 -2.10 0.00 0.00 -0.00 0.00 0.00 31.31 29.58 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 6.24 0.91 3.88 5.87 0.00 -1.26 -5.14 105.19 115.69 1i2u n GLY 10 Ca 0.59 0.00 -0.30 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 3.25 -0.20 4.61 0.00 -0.25 -4.95 121.76 124.21 1i2u s ALA 11 Ca 0.00 -0.22 -0.04 0.00 0.00 0.00 0.00 51.96 51.71 1i2u s ALA 11 Cb 0.00 -2.85 -0.05 0.00 0.00 0.00 0.00 23.12 20.22 1i2u s ALA 11 CO 0.00 -0.39 2.90 0.28 0.00 0.00 0.00 175.76 178.55 1i2u n VAL 12 N -2.16 2.95 -1.91 0.00 0.31 -1.26 -3.57 118.33 112.69 1i2u n VAL 12 Ca 0.04 -1.91 0.00 0.00 -0.01 0.00 0.00 64.34 62.46 1i2u n VAL 12 Cb 0.54 -1.70 0.00 0.00 -0.91 0.00 0.00 33.84 31.77 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 1.50 0.00 -4.75 4.52 4.05 -1.26 -5.05 115.26 114.28 1i2u n ASN 13 Ca 0.38 -0.92 -0.40 0.00 0.45 0.00 0.00 54.58 54.09 1i2u n ASN 13 Cb 0.69 0.00 -0.06 0.00 1.23 0.00 0.00 39.78 41.64 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 3.93 -0.57 1.20 6.14 -1.23 0.24 117.35 127.06 1i2u s TYR 14 Ca 0.00 1.81 -0.17 0.00 0.64 0.00 0.00 57.07 59.35 1i2u s TYR 14 Cb 0.00 -2.94 0.12 0.00 0.42 0.00 0.00 41.96 39.56 1i2u s TYR 14 CO 0.00 0.42 0.60 0.95 0.64 0.00 0.00 175.55 178.16 1i2u s THR 15 N -0.93 5.01 0.33 4.34 -4.23 -1.25 -4.90 115.64 114.02 1i2u s THR 15 Ca 0.41 -1.24 0.09 0.00 -1.18 0.00 0.00 61.69 59.77 1i2u s THR 15 Cb -0.25 -4.41 0.32 0.00 1.34 0.00 0.00 72.50 69.50 1i2u s THR 15 CO 0.30 -1.00 1.79 -1.28 -0.54 0.00 0.00 174.62 173.89 1i2u h SER 16 N 9.04 0.69 -3.17 3.99 0.87 -1.95 -3.16 113.55 119.86 1i2u h SER 16 Ca -0.30 0.09 -0.61 0.00 -1.23 0.00 0.00 61.79 59.74 1i2u h SER 16 Cb 1.09 -0.03 -0.40 0.00 -0.44 0.00 0.00 62.40 62.62 1i2u h SER 16 CO 1.07 0.23 -0.75 -0.62 -0.53 0.00 0.00 176.83 176.23 1i2u s ASP 17 N -5.43 3.45 0.11 6.23 -1.08 -1.26 -5.00 116.67 113.69 1i2u s ASP 17 Ca -0.10 -3.00 -0.32 0.00 -0.52 0.00 0.00 52.55 48.61 1i2u s ASP 17 Cb 0.25 -1.05 -0.12 0.00 -1.46 0.00 0.00 42.92 40.54 1i2u s ASP 17 CO 0.80 -0.20 1.52 0.00 0.52 0.00 0.00 175.17 177.81 1i2u h ASN 19 N -0.57 0.05 0.71 0.00 -0.00 -1.82 -0.27 115.58 113.69 1i2u h ASN 19 Ca 0.03 -0.01 -0.03 0.00 -0.00 0.00 0.00 56.30 56.29 1i2u h ASN 19 Cb 0.65 -0.01 -0.01 0.00 -0.00 0.00 0.00 38.32 38.95 1i2u h ASN 19 CO -0.40 0.19 -0.46 1.23 -0.00 0.00 0.00 177.43 177.98 1i2u h GLY 20 N 0.48 -1.24 0.74 1.57 0.00 -1.45 0.33 103.07 103.50 1i2u h GLY 20 Ca 0.01 0.51 0.03 0.00 0.00 0.00 0.00 47.33 47.88 1i2u h GLY 20 CO 0.02 -0.42 0.02 -2.09 0.00 0.00 0.00 176.54 174.06 1i2u h GLU 21 N -1.11 0.08 -0.50 4.80 4.57 -0.87 -1.37 114.58 120.18 1i2u h GLU 21 Ca -0.09 -0.00 0.10 0.00 -1.18 0.00 0.00 59.36 58.18 1i2u h GLU 21 Cb 0.90 -0.02 -0.09 0.00 -0.16 0.00 0.00 28.75 29.38 1i2u h GLU 21 CO 0.08 0.05 -0.10 0.00 -1.18 0.00 0.00 179.01 177.87 1i2u h LYS 23 N 0.02 0.77 -0.12 0.00 3.64 0.08 0.27 116.57 121.24 1i2u h LYS 23 Ca 0.24 -0.05 0.03 0.00 -1.27 0.00 0.00 60.65 59.61 1i2u h LYS 23 Cb 0.37 -0.17 -0.00 0.00 -0.41 0.00 0.00 32.23 32.01 1i2u h LYS 23 CO -0.49 0.51 0.12 -0.09 -2.27 0.00 0.00 179.45 177.22 1i2u h ARG 24 N 0.79 0.00 -0.61 1.90 2.43 0.23 0.18 114.38 119.30 1i2u h ARG 24 Ca 0.26 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.43 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 -0.10 0.00 0.00 0.54 -1.51 0.00 0.00 179.97 178.90 1i2u n ARG 25 N -3.98 2.86 -1.53 0.20 1.74 0.82 -4.87 116.66 111.89 1i2u n ARG 25 Ca -0.00 -1.93 -0.18 0.00 -0.77 0.00 0.00 57.85 54.97 1i2u n ARG 25 Cb 0.23 -1.70 -0.08 0.00 -1.02 0.00 0.00 32.46 29.89 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 0.85 1.80 3.93 -0.13 0.00 0.63 -4.97 105.19 107.30 1i2u n GLY 26 Ca 0.17 -0.14 -0.26 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.68 2.96 0.11 1.61 2.02 -0.43 -4.99 117.35 115.95 1i2u s TYR 27 Ca 0.00 0.44 -0.14 0.00 -0.37 0.00 0.00 57.07 57.00 1i2u s TYR 27 Cb 0.00 -3.09 -0.06 0.00 -0.40 0.00 0.00 41.96 38.41 1i2u s TYR 27 CO 0.00 -1.28 1.47 0.87 -1.57 0.00 0.00 175.55 175.04 1i2u h LYS 28 N -0.49 0.74 0.00 -0.62 1.57 -1.34 -3.40 116.57 113.04 1i2u h LYS 28 Ca -0.44 -0.34 0.00 0.00 -1.87 0.00 0.00 60.65 57.99 1i2u h LYS 28 Cb 1.31 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.60 1i2u h LYS 28 CO 0.60 0.96 0.00 0.41 -0.57 0.00 0.00 179.45 180.85 1i2u n GLY 29 N 0.00 0.69 3.45 3.86 0.00 -1.25 -4.94 105.19 107.00 1i2u n GLY 29 Ca -0.03 -1.00 -0.11 0.00 0.00 0.00 0.00 46.02 44.89 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 -0.56 0.06 -0.02 0.00 -1.26 0.11 107.32 105.65 1i2u s GLY 30 Ca 0.00 0.73 -0.27 0.00 0.00 0.00 0.00 44.72 45.18 1i2u s GLY 30 CO 0.00 0.27 1.16 -2.38 0.00 0.00 0.00 173.10 172.15 1i2u s HIS 31 N -3.37 -0.04 1.00 1.90 -3.43 0.87 -2.23 115.29 110.00 1i2u s HIS 31 Ca 0.02 -0.17 -0.13 0.00 -0.80 0.00 0.00 55.06 53.97 1i2u s HIS 31 Cb -0.01 0.60 0.19 0.00 -1.43 0.00 0.00 32.58 31.93 1i2u s HIS 31 CO -0.10 -0.53 1.12 0.00 -2.00 0.00 0.00 174.74 173.23 1i2u n GLY 33 N -1.59 -1.80 0.00 0.00 0.00 -1.19 -4.74 105.19 95.87 1i2u n GLY 33 Ca 0.07 0.79 0.00 0.00 0.00 0.00 0.00 46.02 46.88 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 -4.80 1.61 7.64 -1.26 -4.95 113.62 111.86 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 -0.41 3.70 -0.35 1.43 5.36 -1.26 -4.13 117.98 122.33 1i2u s PHE 35 Ca 0.00 1.07 -0.00 0.00 -0.96 0.00 0.00 56.93 57.03 1i2u s PHE 35 Cb 0.00 -2.43 0.00 0.00 -0.34 0.00 0.00 43.02 40.25 1i2u s PHE 35 CO 0.00 0.51 0.01 0.00 -1.46 0.00 0.00 175.22 174.28 1i2u n ALA 36 N 2.25 -0.94 -2.67 11.12 0.00 -1.26 -3.42 120.51 125.60 1i2u n ALA 36 Ca -0.11 0.03 -0.03 0.00 0.00 0.00 0.00 53.44 53.33 1i2u n ALA 36 Cb 0.52 -0.84 -0.03 0.00 0.00 0.00 0.00 19.45 19.10 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 -1.61 -3.76 0.00 0.00 3.02 -1.26 -4.95 115.26 106.70 1i2u n ASN 37 Ca -0.04 1.37 0.00 0.00 -0.03 0.00 0.00 54.58 55.88 1i2u n ASN 37 Cb 0.53 -5.19 0.00 0.00 -0.61 0.00 0.00 39.78 34.51 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 1.31 0.00 -4.05 2.41 3.14 -1.22 -4.02 118.33 115.90 1i2u n VAL 38 Ca -0.24 0.00 -0.09 0.00 -2.96 0.00 0.00 64.34 61.05 1i2u n VAL 38 Cb 0.38 -0.70 -0.11 0.00 -1.06 0.00 0.00 33.84 32.35 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 -2.50 0.49 -0.25 6.55 0.01 -1.26 0.43 114.94 118.42 1i2u s ASN 39 Ca 0.00 -0.72 -0.04 0.00 -0.71 0.00 0.00 52.86 51.39 1i2u s ASN 39 Cb 0.00 0.12 0.00 0.00 0.41 0.00 0.00 41.25 41.79 1i2u s ASN 39 CO 0.00 -0.40 -0.01 0.00 -1.51 0.00 0.00 177.10 175.18 1i2u s TRP 41 N 1.45 3.56 0.43 0.00 0.52 0.48 -3.19 118.94 122.20 1i2u s TRP 41 Ca 0.03 0.49 0.06 0.00 0.02 0.00 0.00 56.10 56.70 1i2u s TRP 41 Cb -0.16 -1.92 -0.05 0.00 -1.15 0.00 0.00 33.47 30.19 1i2u s TRP 41 CO -0.02 0.63 0.15 0.00 0.02 0.00 0.00 176.95 177.73 1i2u s GLU 43 N -3.90 3.14 0.00 0.00 2.02 0.31 -0.04 118.70 120.23 1i2u s GLU 43 Ca 0.36 -0.78 0.00 0.00 0.02 0.00 0.00 54.97 54.57 1i2u s GLU 43 Cb 0.04 -2.99 0.00 0.00 0.10 0.00 0.00 34.13 31.29 1i2u s GLU 43 CO 0.20 -0.28 0.23 0.25 0.02 0.00 0.00 175.26 175.67