#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1p00 s LYS 2 N 0.00 3.32 -0.04 -1.24 2.47 -0.51 -4.89 119.74 118.86 1p00 s LYS 2 Ca 0.00 -0.67 -0.28 0.00 -1.56 0.00 0.00 55.97 53.46 1p00 s LYS 2 Cb 0.00 -2.85 -0.03 0.00 -1.46 0.00 0.00 37.83 33.49 1p00 s LYS 2 CO 0.00 -0.10 0.89 -1.17 0.16 0.00 0.00 175.35 175.13 1p00 s LEU 3 N 1.17 4.34 -0.00 5.43 2.96 -1.26 0.46 118.68 131.77 1p00 s LEU 3 Ca 0.02 1.48 0.03 0.00 -0.22 0.00 0.00 54.13 55.44 1p00 s LEU 3 Cb -0.14 -3.40 -0.04 0.00 0.50 0.00 0.00 46.19 43.10 1p00 s LEU 3 CO -0.03 -0.23 0.07 2.30 -1.32 0.00 0.00 176.35 177.14 1p00 n ILE 4 N 3.95 0.00 -0.11 6.68 -5.35 -1.06 -4.97 119.36 118.49 1p00 n ILE 4 Ca 0.04 -0.11 0.00 0.00 -0.27 0.00 0.00 62.75 62.41 1p00 n ILE 4 Cb 0.51 0.50 0.00 0.00 -1.74 0.00 0.00 39.64 38.91 1p00 n ILE 4 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1p00 n GLY 5 N 2.19 -0.78 3.64 3.28 0.00 -1.25 -5.06 105.19 107.21 1p00 n GLY 5 Ca -0.00 -0.32 -0.23 0.00 0.00 0.00 0.00 46.02 45.47 1p00 n GLY 5 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1p00 s SER 6 N -4.00 4.48 -0.24 1.61 0.15 0.14 -2.36 113.70 113.48 1p00 s SER 6 Ca 0.00 -0.69 0.14 0.00 0.70 0.00 0.00 55.95 56.10 1p00 s SER 6 Cb 0.00 -0.79 0.47 0.00 -1.71 0.00 0.00 66.02 63.98 1p00 s SER 6 CO 0.00 -0.02 1.17 0.00 1.20 0.00 0.00 173.24 175.58 1p00 s VAL 8 N -3.64 0.01 0.17 0.00 0.11 -1.24 -4.64 120.40 111.16 1p00 s VAL 8 Ca 0.40 -0.11 -0.31 0.00 -2.93 0.00 0.00 61.98 59.03 1p00 s VAL 8 Cb 0.37 -0.09 -0.09 0.00 -1.53 0.00 0.00 36.38 35.05 1p00 s VAL 8 CO -0.02 -0.06 1.37 0.86 -3.33 0.00 0.00 175.10 173.91 1p00 s TRP 9 N -0.17 3.22 0.00 1.54 -0.00 -1.26 -3.21 118.94 119.05 1p00 s TRP 9 Ca -0.02 1.06 0.00 0.00 -0.00 0.00 0.00 56.10 57.14 1p00 s TRP 9 Cb -0.01 -3.68 0.00 0.00 -0.00 0.00 0.00 33.47 29.78 1p00 s TRP 9 CO -0.00 -2.25 0.00 0.41 -0.00 0.00 0.00 176.95 175.11 1p00 n GLY 10 N 2.89 3.42 3.77 5.86 0.00 -1.26 -5.08 105.19 114.79 1p00 n GLY 10 Ca 0.09 -1.02 -0.41 0.00 0.00 0.00 0.00 46.02 44.68 1p00 n GLY 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1p00 s ALA 11 N 0.00 3.48 -0.01 4.61 0.00 -1.20 -4.87 121.76 123.77 1p00 s ALA 11 Ca 0.00 1.36 0.00 0.00 0.00 0.00 0.00 51.96 53.32 1p00 s ALA 11 Cb 0.00 -3.52 0.01 0.00 0.00 0.00 0.00 23.12 19.60 1p00 s ALA 11 CO 0.00 -0.81 1.57 0.28 0.00 0.00 0.00 175.76 176.79 1p00 n VAL 12 N 0.56 1.58 -2.10 0.00 0.31 -1.26 -2.76 118.33 114.66 1p00 n VAL 12 Ca 0.01 -0.30 -0.02 0.00 -0.01 0.00 0.00 64.34 64.02 1p00 n VAL 12 Cb 0.41 -1.28 -0.02 0.00 -0.91 0.00 0.00 33.84 32.04 1p00 n VAL 12 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 1p00 n ASN 13 N 1.04 -0.21 -4.74 4.52 3.02 -1.26 -5.02 115.26 112.61 1p00 n ASN 13 Ca 0.01 -1.75 -0.41 0.00 -0.03 0.00 0.00 54.58 52.40 1p00 n ASN 13 Cb 0.51 0.04 -0.05 0.00 -0.61 0.00 0.00 39.78 39.66 1p00 n ASN 13 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 1p00 s TYR 14 N 0.00 3.85 -0.13 3.10 5.04 -1.11 0.27 117.35 128.36 1p00 s TYR 14 Ca 0.07 1.82 -0.06 0.00 -2.44 0.00 0.00 57.07 56.46 1p00 s TYR 14 Cb 0.08 -3.06 0.05 0.00 0.35 0.00 0.00 41.96 39.39 1p00 s TYR 14 CO -0.04 0.19 0.30 -0.08 -1.34 0.00 0.00 175.55 174.59 1p00 s THR 15 N -0.49 -0.10 0.02 4.34 -1.32 -1.14 -4.95 115.64 112.00 1p00 s THR 15 Ca 0.45 0.15 -0.20 0.00 -1.21 0.00 0.00 61.69 60.87 1p00 s THR 15 Cb -0.25 -0.47 -0.18 0.00 -1.51 0.00 0.00 72.50 70.09 1p00 s THR 15 CO 0.32 0.06 1.21 0.77 -2.21 0.00 0.00 174.62 174.77 1p00 h SER 16 N 7.33 0.43 -0.15 8.08 4.64 -1.96 -3.33 113.55 128.58 1p00 h SER 16 Ca -0.36 -0.62 -0.67 0.00 -0.47 0.00 0.00 61.79 59.67 1p00 h SER 16 Cb 1.16 -0.13 0.01 0.00 -0.31 0.00 0.00 62.40 63.13 1p00 h SER 16 CO 0.32 0.98 3.62 0.59 -0.87 0.00 0.00 176.83 181.47 1p00 n ASN 17 N -4.41 8.64 0.13 4.97 4.13 -1.26 -4.68 115.26 122.78 1p00 n ASN 17 Ca -0.08 -2.64 -0.13 0.00 1.68 0.00 0.00 54.58 53.41 1p00 n ASN 17 Cb 0.50 -1.53 -0.06 0.00 -1.54 0.00 0.00 39.78 37.14 1p00 n ASN 17 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1p00 h ARG 19 N -0.39 0.59 -0.79 0.00 2.43 -1.84 -2.72 114.38 111.65 1p00 h ARG 19 Ca 0.01 -0.11 -0.00 0.00 -0.81 0.00 0.00 59.98 59.07 1p00 h ARG 19 Cb 0.38 -0.10 -0.04 0.00 -0.42 0.00 0.00 29.97 29.80 1p00 h ARG 19 CO -0.06 0.56 0.50 0.00 -1.51 0.00 0.00 179.97 179.46 1p00 h ALA 20 N 1.00 1.01 -0.21 2.80 0.00 -1.87 -1.67 119.26 120.31 1p00 h ALA 20 Ca 0.13 -0.08 0.02 0.00 0.00 0.00 0.00 54.91 54.98 1p00 h ALA 20 Cb 0.19 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 1p00 h ALA 20 CO -0.01 0.46 0.07 0.93 0.00 0.00 0.00 179.25 180.70 1p00 h GLU 21 N 1.08 0.17 -0.79 0.00 4.39 -0.40 0.21 114.58 119.24 1p00 h GLU 21 Ca 0.29 -0.01 -0.05 0.00 0.34 0.00 0.00 59.36 59.93 1p00 h GLU 21 Cb -0.07 -0.04 -0.03 0.00 -0.10 0.00 0.00 28.75 28.51 1p00 h GLU 21 CO -0.06 0.11 0.31 0.00 -1.16 0.00 0.00 179.01 178.22 1p00 h LYS 23 N 1.15 1.12 -0.68 0.00 1.57 -0.86 0.25 116.57 119.11 1p00 h LYS 23 Ca 0.26 -0.29 -0.02 0.00 -1.87 0.00 0.00 60.65 58.74 1p00 h LYS 23 Cb 0.22 -0.14 -0.03 0.00 0.08 0.00 0.00 32.23 32.36 1p00 h LYS 23 CO -0.02 1.01 0.35 -0.09 -0.57 0.00 0.00 179.45 180.13 1p00 h ARG 24 N 1.05 0.97 -0.04 3.15 1.12 -0.07 -3.13 114.38 117.44 1p00 h ARG 24 Ca 0.21 -0.13 -0.10 0.00 -1.11 0.00 0.00 59.98 58.85 1p00 h ARG 24 Cb 0.41 -0.18 0.01 0.00 -0.01 0.00 0.00 29.97 30.19 1p00 h ARG 24 CO 0.01 0.75 -0.37 0.00 -3.11 0.00 0.00 179.97 177.25 1p00 h ARG 25 N 0.94 0.32 0.00 0.20 3.08 -0.76 -3.48 114.38 114.67 1p00 h ARG 25 Ca 0.24 -0.29 0.00 0.00 0.07 0.00 0.00 59.98 60.00 1p00 h ARG 25 Cb 0.08 0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.20 1p00 h ARG 25 CO -0.03 0.96 0.00 0.41 -1.07 0.00 0.00 179.97 180.23 1p00 n GLY 26 N 0.85 -0.18 3.19 0.04 0.00 0.66 -5.10 105.19 104.66 1p00 n GLY 26 Ca -0.09 -0.17 -0.11 0.00 0.00 0.00 0.00 46.02 45.64 1p00 n GLY 26 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1p00 s TYR 27 N 0.00 0.97 0.29 1.61 1.51 -0.05 -4.99 117.35 116.69 1p00 s TYR 27 Ca 0.00 -0.89 -0.00 0.00 -1.01 0.00 0.00 57.07 55.17 1p00 s TYR 27 Cb 0.00 -0.55 0.50 0.00 -0.11 0.00 0.00 41.96 41.80 1p00 s TYR 27 CO 0.00 -0.11 1.89 0.87 -1.11 0.00 0.00 175.55 177.09 1p00 h LYS 28 N 2.92 1.04 0.00 -0.62 1.57 -1.74 -3.37 116.57 116.36 1p00 h LYS 28 Ca -0.36 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.36 1p00 h LYS 28 Cb 1.17 -0.23 0.00 0.00 0.08 0.00 0.00 32.23 33.25 1p00 h LYS 28 CO 0.64 0.69 0.00 0.41 -0.57 0.00 0.00 179.45 180.62 1p00 n GLY 29 N -1.38 1.80 3.61 3.86 0.00 -1.18 -4.93 105.19 106.98 1p00 n GLY 29 Ca 0.15 -0.42 -0.10 0.00 0.00 0.00 0.00 46.02 45.66 1p00 n GLY 29 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1p00 s GLY 30 N -0.17 -0.19 -0.08 -0.02 0.00 -1.26 -0.81 107.32 104.79 1p00 s GLY 30 Ca 0.00 2.43 -0.21 0.00 0.00 0.00 0.00 44.72 46.94 1p00 s GLY 30 CO 0.00 1.51 0.50 -2.38 0.00 0.00 0.00 173.10 172.73 1p00 s HIS 31 N -0.32 -0.46 -0.21 1.90 -3.43 0.89 -4.13 115.29 109.53 1p00 s HIS 31 Ca 0.01 0.89 -0.25 0.00 -0.80 0.00 0.00 55.06 54.91 1p00 s HIS 31 Cb -0.03 0.24 -0.01 0.00 -1.43 0.00 0.00 32.58 31.34 1p00 s HIS 31 CO -0.03 -0.44 0.83 0.00 -2.00 0.00 0.00 174.74 173.11 1p00 n GLY 33 N 3.60 4.61 7.00 0.00 0.00 0.59 -4.75 105.19 116.23 1p00 n GLY 33 Ca 0.05 -0.56 0.00 0.00 0.00 0.00 0.00 46.02 45.51 1p00 n GLY 33 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1p00 n SER 34 N 0.00 0.00 -4.62 1.61 3.41 -1.26 -2.37 113.62 110.38 1p00 n SER 34 Ca 0.00 0.00 -0.43 0.00 -0.26 0.00 0.00 58.87 58.18 1p00 n SER 34 Cb 0.00 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 63.92 1p00 n SER 34 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 1p00 s PHE 35 N 0.00 1.31 -0.70 7.33 5.36 -1.26 -2.88 117.98 127.15 1p00 s PHE 35 Ca 0.00 0.24 0.00 0.00 -0.96 0.00 0.00 56.93 56.21 1p00 s PHE 35 Cb 0.00 -4.04 0.00 0.00 -0.34 0.00 0.00 43.02 38.64 1p00 s PHE 35 CO 0.00 -4.39 0.00 0.00 -1.46 0.00 0.00 175.22 169.37 1p00 n ALA 36 N 10.08 -0.69 -2.19 11.12 0.00 -1.26 -1.07 120.51 136.50 1p00 n ALA 36 Ca 0.25 0.08 -0.16 0.00 0.00 0.00 0.00 53.44 53.61 1p00 n ALA 36 Cb 0.44 -1.08 -0.02 0.00 0.00 0.00 0.00 19.45 18.78 1p00 n ALA 36 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1p00 n ASN 37 N -1.28 -4.72 -0.72 0.00 3.02 -1.00 -4.84 115.26 105.72 1p00 n ASN 37 Ca -0.09 0.17 0.06 0.00 -0.03 0.00 0.00 54.58 54.70 1p00 n ASN 37 Cb 0.50 -4.04 0.18 0.00 -0.61 0.00 0.00 39.78 35.81 1p00 n ASN 37 CO 0.00 0.00 0.00 1.33 -2.62 0.00 0.00 177.26 175.97 1p00 n VAL 38 N -3.29 0.51 -4.63 2.41 0.24 -0.23 -4.20 118.33 109.14 1p00 n VAL 38 Ca -0.19 -0.52 -0.22 0.00 -2.04 0.00 0.00 64.34 61.37 1p00 n VAL 38 Cb 0.62 0.27 -0.15 0.00 -1.47 0.00 0.00 33.84 33.10 1p00 n VAL 38 CO 0.00 0.00 0.00 0.20 -2.14 0.00 0.00 176.83 174.89 1p00 s ASN 39 N -1.02 1.64 -0.35 -1.34 0.01 -1.20 -0.05 114.94 112.64 1p00 s ASN 39 Ca 0.26 -0.26 -0.20 0.00 -0.71 0.00 0.00 52.86 51.95 1p00 s ASN 39 Cb 0.14 -0.27 0.00 0.00 0.41 0.00 0.00 41.25 41.53 1p00 s ASN 39 CO 0.18 0.15 0.63 0.00 -1.51 0.00 0.00 177.10 176.55 1p00 s TRP 41 N 2.69 2.85 0.15 0.00 0.52 0.10 -2.58 118.94 122.66 1p00 s TRP 41 Ca 0.24 -1.10 -0.30 0.00 0.02 0.00 0.00 56.10 54.96 1p00 s TRP 41 Cb -0.15 -1.97 -0.07 0.00 -1.15 0.00 0.00 33.47 30.14 1p00 s TRP 41 CO 0.14 -0.55 1.13 0.00 0.02 0.00 0.00 176.95 177.69 1p00 s GLU 43 N -0.01 3.67 0.00 0.00 0.41 0.01 -1.42 118.70 121.36 1p00 s GLU 43 Ca 0.52 1.96 0.00 0.00 -0.41 0.00 0.00 54.97 57.04 1p00 s GLU 43 Cb -0.29 -4.16 0.00 0.00 -1.78 0.00 0.00 34.13 27.89 1p00 s GLU 43 CO 0.34 -1.46 0.00 -2.37 -0.49 0.00 0.00 175.26 171.27