#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 2.93 -0.19 -1.24 2.36 0.65 -4.78 119.74 119.47 1i2u s LYS 2 Ca 0.00 -0.66 -0.02 0.00 -2.55 0.00 0.00 55.97 52.74 1i2u s LYS 2 Cb 0.00 -2.59 -0.00 0.00 -1.05 0.00 0.00 37.83 34.19 1i2u s LYS 2 CO 0.00 -0.33 -0.10 -1.17 1.55 0.00 0.00 175.35 175.30 1i2u s LEU 3 N -4.54 2.67 0.00 5.43 0.20 -1.26 0.81 118.68 121.99 1i2u s LEU 3 Ca 0.50 -0.44 0.00 0.00 0.69 0.00 0.00 54.13 54.88 1i2u s LEU 3 Cb -0.10 -1.65 0.00 0.00 -0.43 0.00 0.00 46.19 44.01 1i2u s LEU 3 CO 0.37 0.03 0.07 2.30 -0.29 0.00 0.00 176.35 178.83 1i2u n ILE 4 N 4.47 0.00 -4.02 6.68 -6.64 -1.19 -4.96 119.36 113.70 1i2u n ILE 4 Ca -0.19 -0.50 0.04 0.00 -1.77 0.00 0.00 62.75 60.33 1i2u n ILE 4 Cb 0.51 1.00 0.01 0.00 -1.44 0.00 0.00 39.64 39.72 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 0.85 0.17 0.00 3.28 0.00 -1.24 -4.99 105.19 103.26 1i2u n GLY 5 Ca 0.00 -0.99 0.00 0.00 0.00 0.00 0.00 46.02 45.03 1i2u n GLY 5 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1i2u n SER 6 N -0.86 1.38 -1.85 1.61 7.64 0.22 -0.70 113.62 121.06 1i2u n SER 6 Ca 0.05 -0.84 -0.03 0.00 1.01 0.00 0.00 58.87 59.05 1i2u n SER 6 Cb 0.49 0.00 0.07 0.00 -1.01 0.00 0.00 64.21 63.75 1i2u n SER 6 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1i2u s VAL 8 N -2.91 2.87 -0.91 0.00 1.01 -1.26 -4.22 120.40 114.99 1i2u s VAL 8 Ca 0.37 -2.95 -0.18 0.00 0.00 0.00 0.00 61.98 59.22 1i2u s VAL 8 Cb 0.37 -2.97 -0.25 0.00 0.00 0.00 0.00 36.38 33.52 1i2u s VAL 8 CO -0.06 -0.77 2.32 1.87 0.00 0.00 0.00 175.10 178.46 1i2u n TRP 9 N 3.53 0.48 0.00 5.22 -0.00 -1.26 -0.82 117.44 124.59 1i2u n TRP 9 Ca 0.05 0.06 0.00 0.00 -0.00 0.00 0.00 57.50 57.61 1i2u n TRP 9 Cb 0.36 -1.47 0.00 0.00 -0.00 0.00 0.00 31.31 30.20 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 6.02 1.60 3.80 5.87 0.00 -1.26 -5.13 105.19 116.08 1i2u n GLY 10 Ca 0.60 -0.12 -0.32 0.00 0.00 0.00 0.00 46.02 46.19 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 2.55 -0.16 4.61 0.00 0.00 -4.90 121.76 123.86 1i2u s ALA 11 Ca 0.00 0.27 -0.02 0.00 0.00 0.00 0.00 51.96 52.20 1i2u s ALA 11 Cb 0.00 -3.23 0.00 0.00 0.00 0.00 0.00 23.12 19.89 1i2u s ALA 11 CO 0.00 -1.28 2.54 1.55 0.00 0.00 0.00 175.76 178.56 1i2u n VAL 12 N -2.89 2.68 -1.79 0.00 3.14 -1.26 -3.52 118.33 114.70 1i2u n VAL 12 Ca 0.09 -1.49 0.00 0.00 -2.96 0.00 0.00 64.34 59.98 1i2u n VAL 12 Cb 0.53 -1.59 0.00 0.00 -1.06 0.00 0.00 33.84 31.72 1i2u n VAL 12 CO 0.00 0.00 0.00 -0.46 -6.46 0.00 0.00 176.83 169.91 1i2u n ASN 13 N 1.32 0.00 -4.81 6.55 0.23 -1.26 -5.06 115.26 112.24 1i2u n ASN 13 Ca 0.27 -0.81 -0.33 0.00 -0.53 0.00 0.00 54.58 53.18 1i2u n ASN 13 Cb 0.63 0.00 -0.00 0.00 -2.08 0.00 0.00 39.78 38.33 1i2u n ASN 13 CO 0.00 0.00 0.00 -0.47 -0.93 0.00 0.00 177.26 175.86 1i2u s TYR 14 N 0.00 3.05 -0.43 -2.53 5.04 -1.23 0.70 117.35 121.95 1i2u s TYR 14 Ca 0.00 1.51 0.04 0.00 -2.44 0.00 0.00 57.07 56.18 1i2u s TYR 14 Cb 0.00 -2.99 0.11 0.00 0.35 0.00 0.00 41.96 39.44 1i2u s TYR 14 CO 0.00 -0.99 0.15 0.95 -1.34 0.00 0.00 175.55 174.32 1i2u s THR 15 N -2.41 2.41 0.44 4.34 -4.23 -1.15 -4.76 115.64 110.27 1i2u s THR 15 Ca 0.63 -2.80 0.19 0.00 -1.18 0.00 0.00 61.69 58.53 1i2u s THR 15 Cb -0.15 -2.73 0.39 0.00 1.34 0.00 0.00 72.50 71.34 1i2u s THR 15 CO 0.34 -0.70 1.88 0.28 -0.54 0.00 0.00 174.62 175.89 1i2u h SER 16 N 7.08 0.34 -2.26 3.99 0.02 -1.96 -3.04 113.55 117.72 1i2u h SER 16 Ca -0.06 0.03 -0.58 0.00 -0.84 0.00 0.00 61.79 60.34 1i2u h SER 16 Cb 0.96 -0.03 -0.40 0.00 0.14 0.00 0.00 62.40 63.06 1i2u h SER 16 CO 0.60 0.15 -0.87 -0.67 -1.14 0.00 0.00 176.83 174.89 1i2u n ASP 17 N -4.47 1.41 -0.11 3.07 -0.08 -1.26 -5.00 116.55 110.11 1i2u n ASP 17 Ca 0.17 -2.91 -0.10 0.00 -1.51 0.00 0.00 54.79 50.45 1i2u n ASP 17 Cb 0.68 -0.65 -0.07 0.00 2.34 0.00 0.00 41.12 43.42 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 -0.26 0.43 0.32 0.00 -0.00 -1.65 0.21 115.58 114.63 1i2u h ASN 19 Ca 0.05 -0.07 -0.01 0.00 -0.00 0.00 0.00 56.30 56.28 1i2u h ASN 19 Cb 0.40 -0.11 -0.01 0.00 -0.00 0.00 0.00 38.32 38.60 1i2u h ASN 19 CO -0.43 0.49 -0.24 1.23 -0.00 0.00 0.00 177.43 178.48 1i2u h GLY 20 N 0.77 -0.58 0.95 1.57 0.00 -1.55 0.24 103.07 104.46 1i2u h GLY 20 Ca 0.10 0.27 -0.01 0.00 0.00 0.00 0.00 47.33 47.69 1i2u h GLY 20 CO 0.01 -0.23 0.13 -2.09 0.00 0.00 0.00 176.54 174.36 1i2u h GLU 21 N -0.56 0.35 -0.58 4.80 4.57 -0.51 -1.22 114.58 121.43 1i2u h GLU 21 Ca -0.02 -0.04 0.11 0.00 -1.18 0.00 0.00 59.36 58.23 1i2u h GLU 21 Cb 0.49 -0.07 -0.11 0.00 -0.16 0.00 0.00 28.75 28.90 1i2u h GLU 21 CO -0.00 0.32 -0.20 0.00 -1.18 0.00 0.00 179.01 177.95 1i2u h LYS 23 N -0.06 0.75 -0.05 0.00 1.63 -0.24 0.28 116.57 118.89 1i2u h LYS 23 Ca 0.27 -0.05 0.01 0.00 -0.85 0.00 0.00 60.65 60.04 1i2u h LYS 23 Cb 0.47 -0.17 -0.00 0.00 -0.60 0.00 0.00 32.23 31.93 1i2u h LYS 23 CO -0.62 0.50 0.06 -0.09 -3.45 0.00 0.00 179.45 175.85 1i2u h ARG 24 N 0.77 0.00 -0.21 1.90 2.43 0.84 0.11 114.38 120.22 1i2u h ARG 24 Ca 0.21 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.38 1i2u h ARG 24 Cb -0.08 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.47 1i2u h ARG 24 CO -0.04 0.00 0.00 0.54 -1.51 0.00 0.00 179.97 178.96 1i2u n ARG 25 N -3.78 1.64 -1.00 0.20 1.74 0.14 -4.87 116.66 110.74 1i2u n ARG 25 Ca -0.02 -0.98 0.00 0.00 -0.77 0.00 0.00 57.85 56.08 1i2u n ARG 25 Cb 0.15 -1.31 0.00 0.00 -1.02 0.00 0.00 32.46 30.29 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 1.02 0.42 3.89 -0.13 0.00 0.39 -5.01 105.19 105.78 1i2u n GLY 26 Ca 0.13 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.86 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 -1.85 3.55 0.12 1.61 2.02 -0.34 -4.98 117.35 117.48 1i2u s TYR 27 Ca 0.00 0.98 0.17 0.00 -0.37 0.00 0.00 57.07 57.85 1i2u s TYR 27 Cb 0.00 -2.43 0.49 0.00 -0.40 0.00 0.00 41.96 39.62 1i2u s TYR 27 CO 0.00 -0.33 1.65 1.57 -1.57 0.00 0.00 175.55 176.87 1i2u h LYS 28 N 0.36 0.00 0.00 -0.62 2.10 -1.78 -3.36 116.57 113.27 1i2u h LYS 28 Ca -0.46 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.19 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 0.46 0.00 0.41 -2.00 0.00 0.00 179.45 178.94 1i2u n GLY 29 N 0.46 1.54 3.46 0.07 0.00 -1.26 -4.94 105.19 104.51 1i2u n GLY 29 Ca 0.00 -0.60 -0.16 0.00 0.00 0.00 0.00 46.02 45.26 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 -0.53 0.16 -0.02 0.00 -1.26 0.10 107.32 105.77 1i2u s GLY 30 Ca 0.00 0.94 -0.24 0.00 0.00 0.00 0.00 44.72 45.43 1i2u s GLY 30 CO 0.00 0.61 1.05 -2.38 0.00 0.00 0.00 173.10 172.38 1i2u s HIS 31 N -1.97 0.01 0.91 1.90 -3.43 0.10 -1.56 115.29 111.26 1i2u s HIS 31 Ca -0.08 -0.35 -0.12 0.00 -0.80 0.00 0.00 55.06 53.71 1i2u s HIS 31 Cb -0.01 0.67 0.13 0.00 -1.43 0.00 0.00 32.58 31.95 1i2u s HIS 31 CO 0.03 -0.83 1.13 0.00 -2.00 0.00 0.00 174.74 173.07 1i2u n GLY 33 N -2.15 0.00 0.00 0.00 0.00 -1.06 -4.77 105.19 97.21 1i2u n GLY 33 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 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 0.04 -4.83 1.61 7.64 -1.26 -4.97 113.62 111.85 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 1.59 3.70 -1.04 1.43 2.19 -1.26 -4.25 117.98 120.33 1i2u s PHE 35 Ca 0.00 0.95 -0.12 0.00 0.33 0.00 0.00 56.93 58.10 1i2u s PHE 35 Cb 0.00 -2.30 0.12 0.00 -1.31 0.00 0.00 43.02 39.53 1i2u s PHE 35 CO 0.00 0.60 0.34 0.00 1.83 0.00 0.00 175.22 177.99 1i2u n ALA 36 N 2.03 -1.10 -2.90 11.12 0.00 -1.26 -2.71 120.51 125.69 1i2u n ALA 36 Ca -0.14 -0.07 -0.10 0.00 0.00 0.00 0.00 53.44 53.13 1i2u n ALA 36 Cb 0.52 -1.78 0.01 0.00 0.00 0.00 0.00 19.45 18.21 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 -2.05 -7.71 0.00 0.00 4.13 -1.26 -4.98 115.26 103.39 1i2u n ASN 37 Ca 0.05 0.61 0.00 0.00 1.68 0.00 0.00 54.58 56.92 1i2u n ASN 37 Cb 0.49 -4.94 0.00 0.00 -1.54 0.00 0.00 39.78 33.78 1i2u n ASN 37 CO 0.00 0.00 0.00 0.55 0.28 0.00 0.00 177.26 178.09 1i2u n VAL 38 N -0.09 0.00 -4.16 2.41 3.14 -1.10 -4.02 118.33 114.51 1i2u n VAL 38 Ca 0.08 0.00 -0.17 0.00 -2.96 0.00 0.00 64.34 61.29 1i2u n VAL 38 Cb 0.41 -0.57 -0.12 0.00 -1.06 0.00 0.00 33.84 32.50 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 -2.51 1.45 -0.13 6.55 -0.87 -1.26 -0.70 114.94 117.46 1i2u s ASN 39 Ca 0.00 -0.58 0.03 0.00 -1.57 0.00 0.00 52.86 50.74 1i2u s ASN 39 Cb 0.00 -0.03 0.01 0.00 -0.02 0.00 0.00 41.25 41.21 1i2u s ASN 39 CO 0.00 -0.10 -0.22 0.00 -2.57 0.00 0.00 177.10 174.22 1i2u s TRP 41 N 0.79 2.77 0.42 0.00 0.52 0.20 -3.15 118.94 120.48 1i2u s TRP 41 Ca -0.08 -0.15 0.07 0.00 0.02 0.00 0.00 56.10 55.95 1i2u s TRP 41 Cb -0.16 -1.40 -0.06 0.00 -1.15 0.00 0.00 33.47 30.70 1i2u s TRP 41 CO -0.01 0.47 0.09 0.00 0.02 0.00 0.00 176.95 177.52 1i2u s GLU 43 N -3.82 1.46 0.00 0.00 0.41 0.29 -0.26 118.70 116.78 1i2u s GLU 43 Ca 0.35 -1.17 0.00 0.00 -0.41 0.00 0.00 54.97 53.74 1i2u s GLU 43 Cb 0.06 -1.75 0.00 0.00 -1.78 0.00 0.00 34.13 30.66 1i2u s GLU 43 CO 0.19 0.43 0.14 0.25 -0.49 0.00 0.00 175.26 175.78