#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s1i s LYS 2 N 0.00 3.25 0.35 1.61 2.36 -1.26 -4.77 119.74 121.28 1s1i s LYS 2 Ca 0.00 1.70 -0.28 0.00 -2.55 0.00 0.00 55.97 54.84 1s1i s LYS 2 Cb 0.00 -2.00 -0.12 0.00 -1.05 0.00 0.00 37.83 34.66 1s1i s LYS 2 CO 0.00 -0.95 1.34 0.41 1.55 0.00 0.00 175.35 177.70 1s1i n GLY 3 N 0.29 0.74 1.34 5.54 0.00 -1.26 -4.46 105.19 107.39 1s1i n GLY 3 Ca 0.12 0.31 0.00 0.00 0.00 0.00 0.00 46.02 46.46 1s1i n GLY 3 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1s1i n THR 4 N 0.36 0.00 -2.30 2.61 -1.04 -1.26 -4.78 114.28 107.87 1s1i n THR 4 Ca 0.04 0.00 -0.36 0.00 -2.04 0.00 0.00 64.05 61.68 1s1i n THR 4 Cb 0.37 -0.96 -0.01 0.00 -1.82 0.00 0.00 70.33 67.91 1s1i n THR 4 CO 0.00 0.00 0.00 -2.84 -0.64 0.00 0.00 175.07 171.59 1s1i s PRO 5 N -1.96 3.70 0.00 -2.82 0.02 -1.26 -5.04 135.00 127.64 1s1i s PRO 5 Ca 0.00 1.69 0.00 0.00 0.02 0.00 0.00 61.00 62.71 1s1i s PRO 5 Cb 0.00 -2.30 0.00 0.00 0.02 0.00 0.00 34.50 32.22 1s1i s PRO 5 CO 0.00 -0.58 0.00 -1.13 -0.33 0.00 0.00 177.00 174.96 1s1i n SER 6 N -0.67 0.00 -4.15 2.53 3.41 -1.26 -5.02 113.62 108.46 1s1i n SER 6 Ca 0.08 0.00 -0.16 0.00 -0.26 0.00 0.00 58.87 58.53 1s1i n SER 6 Cb 0.49 0.00 -0.12 0.00 -0.26 0.00 0.00 64.21 64.33 1s1i n SER 6 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 1s1i s PHE 7 N 0.00 1.06 0.00 7.33 2.19 -1.26 -4.63 117.98 122.68 1s1i s PHE 7 Ca 0.00 -0.51 0.00 0.00 0.33 0.00 0.00 56.93 56.75 1s1i s PHE 7 Cb 0.00 -0.60 0.00 0.00 -1.31 0.00 0.00 43.02 41.11 1s1i s PHE 7 CO 0.00 0.02 0.00 0.41 1.83 0.00 0.00 175.22 177.48 1s1i n GLY 8 N 1.14 2.98 0.17 13.12 0.00 -1.26 -4.38 105.19 116.96 1s1i n GLY 8 Ca -0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.82 1s1i n GLY 8 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1s1i h LYS 9 N 0.69 0.07 -6.14 1.61 5.09 -1.96 -3.42 116.57 112.51 1s1i h LYS 9 Ca 0.00 -0.03 -0.63 0.00 0.09 0.00 0.00 60.65 60.08 1s1i h LYS 9 Cb 0.00 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.34 1s1i h LYS 9 CO 0.00 0.52 1.25 2.89 -2.09 0.00 0.00 179.45 182.02 1s1i n ARG 10 N -3.99 1.82 -3.54 0.07 -4.01 -1.26 -4.84 116.66 100.90 1s1i n ARG 10 Ca -0.02 0.60 -0.32 0.00 -1.04 0.00 0.00 57.85 57.08 1s1i n ARG 10 Cb 0.49 -2.69 -0.07 0.00 -3.04 0.00 0.00 32.46 27.15 1s1i n ARG 10 CO 0.00 0.00 0.00 1.58 -3.04 0.00 0.00 177.63 176.17 1s1i n HIS 11 N 8.42 3.57 -4.27 2.89 -0.00 -1.26 -5.02 115.22 119.55 1s1i n HIS 11 Ca 0.29 -3.99 -0.19 0.00 0.46 0.00 0.00 57.72 54.29 1s1i n HIS 11 Cb 0.30 -0.84 -0.13 0.00 -0.12 0.00 0.00 29.99 29.20 1s1i n HIS 11 CO 0.00 0.00 0.00 0.54 0.46 0.00 0.00 176.34 177.34 1s1i s ASN 12 N -1.46 1.60 0.09 0.26 2.20 -1.26 -5.12 114.94 111.25 1s1i s ASN 12 Ca 0.32 -0.51 -0.25 0.00 -0.94 0.00 0.00 52.86 51.48 1s1i s ASN 12 Cb 0.03 -0.08 -0.06 0.00 -2.00 0.00 0.00 41.25 39.14 1s1i s ASN 12 CO -0.07 -0.02 0.76 -0.54 -2.94 0.00 0.00 177.10 174.30 1s1i s LYS 13 N -1.35 4.51 0.12 3.55 3.01 -1.26 -5.03 119.74 123.30 1s1i s LYS 13 Ca -0.00 1.09 -0.24 0.00 -1.01 0.00 0.00 55.97 55.81 1s1i s LYS 13 Cb -0.09 -3.32 0.07 0.00 -1.01 0.00 0.00 37.83 33.48 1s1i s LYS 13 CO 0.02 0.40 0.60 0.45 0.51 0.00 0.00 175.35 177.32 1s1i s SER 14 N -0.48 -0.56 -1.26 2.83 0.15 -1.26 -4.65 113.70 108.48 1s1i s SER 14 Ca 0.37 0.09 -0.02 0.00 0.70 0.00 0.00 55.95 57.09 1s1i s SER 14 Cb -0.21 0.58 0.01 0.00 -1.71 0.00 0.00 66.02 64.68 1s1i s SER 14 CO 0.24 -0.90 0.99 1.57 1.20 0.00 0.00 173.24 176.33 1s1i n HIS 15 N -0.16 -2.28 -2.11 3.44 -0.00 -0.90 -4.82 115.22 108.40 1s1i n HIS 15 Ca -0.17 0.94 -0.28 0.00 -0.00 0.00 0.00 57.72 58.20 1s1i n HIS 15 Cb 0.64 -4.93 0.18 0.00 -0.00 0.00 0.00 29.99 25.88 1s1i n HIS 15 CO 0.00 0.00 0.00 0.99 -0.00 0.00 0.00 176.34 177.33 1s1i s THR 16 N -3.40 2.01 0.32 3.57 2.01 0.30 -3.87 115.64 116.57 1s1i s THR 16 Ca 0.13 -0.16 -0.29 0.00 0.31 0.00 0.00 61.69 61.69 1s1i s THR 16 Cb -0.06 -2.85 -0.10 0.00 0.01 0.00 0.00 72.50 69.50 1s1i s THR 16 CO 0.75 0.00 1.26 -1.48 -0.69 0.00 0.00 174.62 174.46 1s1i s LEU 17 N -5.76 4.45 0.32 4.42 0.05 -1.16 0.32 118.68 121.33 1s1i s LEU 17 Ca 0.74 2.60 -0.02 0.00 0.05 0.00 0.00 54.13 57.50 1s1i s LEU 17 Cb -0.03 -3.64 -0.04 0.00 -2.05 0.00 0.00 46.19 40.42 1s1i s LEU 17 CO 0.52 -0.45 0.56 0.00 -0.55 0.00 0.00 176.35 176.42 1s1i h ASN 19 N 1.22 -0.88 -3.79 0.00 -1.07 -1.91 -3.34 115.58 105.80 1s1i h ASN 19 Ca -0.48 0.01 -0.64 0.00 0.07 0.00 0.00 56.30 55.26 1s1i h ASN 19 Cb 1.20 0.23 -0.41 0.00 -2.07 0.00 0.00 38.32 37.27 1s1i h ASN 19 CO 0.64 -0.57 -0.58 -0.13 0.07 0.00 0.00 177.43 176.86 1s1i s ARG 20 N -5.58 2.25 0.00 4.14 1.81 -1.26 -4.75 118.95 115.56 1s1i s ARG 20 Ca -0.17 -2.96 0.00 0.00 -1.72 0.00 0.00 55.73 50.88 1s1i s ARG 20 Cb 0.02 -3.40 0.00 0.00 -0.45 0.00 0.00 34.95 31.12 1s1i s ARG 20 CO 0.56 -1.19 0.00 0.00 -0.68 0.00 0.00 175.30 173.99 1s1i h GLY 22 N 0.00 0.91 -2.47 0.00 0.00 -1.85 -3.25 103.07 96.41 1s1i h GLY 22 Ca 0.00 -0.60 -0.56 0.00 0.00 0.00 0.00 47.33 46.18 1s1i h GLY 22 CO 0.00 0.55 -0.24 0.54 0.00 0.00 0.00 176.54 177.39 1s1i n ARG 23 N -4.22 0.36 0.00 4.80 1.74 -1.26 -4.47 116.66 113.60 1s1i n ARG 23 Ca 0.03 0.17 0.00 0.00 -0.77 0.00 0.00 57.85 57.28 1s1i n ARG 23 Cb 0.29 -1.95 0.00 0.00 -1.02 0.00 0.00 32.46 29.78 1s1i n ARG 23 CO 0.00 0.00 0.00 2.89 -1.52 0.00 0.00 177.63 179.00 1s1i n ARG 24 N -1.09 0.00 0.00 5.56 1.85 -1.26 -2.09 116.66 119.63 1s1i n ARG 24 Ca 0.11 0.29 0.00 0.00 -1.00 0.00 0.00 57.85 57.25 1s1i n ARG 24 Cb 0.50 -1.21 0.00 0.00 -1.05 0.00 0.00 32.46 30.69 1s1i n ARG 24 CO 0.00 0.00 0.00 -1.13 -0.01 0.00 0.00 177.63 176.49 1s1i n SER 25 N -1.26 0.00 -4.78 2.89 3.41 -1.11 0.18 113.62 112.96 1s1i n SER 25 Ca 0.00 0.00 -0.39 0.00 -0.26 0.00 0.00 58.87 58.22 1s1i n SER 25 Cb 0.00 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 63.89 1s1i n SER 25 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 175.04 175.60 1s1i s PHE 26 N 0.00 3.77 0.22 7.33 -0.71 0.15 -3.85 117.98 124.88 1s1i s PHE 26 Ca 0.00 1.34 -0.02 0.00 -1.04 0.00 0.00 56.93 57.20 1s1i s PHE 26 Cb 0.00 -2.63 0.05 0.00 -1.21 0.00 0.00 43.02 39.23 1s1i s PHE 26 CO 0.00 0.44 0.29 0.72 -1.34 0.00 0.00 175.22 175.34 1s1i n HIS 27 N 2.23 -3.70 -0.01 3.49 8.25 -1.26 0.11 115.22 124.33 1s1i n HIS 27 Ca -0.07 -0.35 0.00 0.00 -0.26 0.00 0.00 57.72 57.04 1s1i n HIS 27 Cb 0.50 -0.22 -0.03 0.00 1.12 0.00 0.00 29.99 31.36 1s1i n HIS 27 CO 0.00 0.00 0.00 1.55 0.64 0.00 0.00 176.34 178.53 1s1i n VAL 28 N -2.16 0.12 -3.39 1.59 3.14 -1.26 -4.36 118.33 112.00 1s1i n VAL 28 Ca 0.04 -0.12 -0.45 0.00 -2.96 0.00 0.00 64.34 60.85 1s1i n VAL 28 Cb 0.14 -0.25 -0.04 0.00 -1.06 0.00 0.00 33.84 32.63 1s1i n VAL 28 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1s1i s GLN 29 N -2.18 3.29 0.00 1.45 0.00 -1.26 -4.73 119.66 116.22 1s1i s GLN 29 Ca -0.02 -2.30 0.00 0.00 -0.00 0.00 0.00 55.36 53.04 1s1i s GLN 29 Cb 0.02 -4.28 0.00 0.00 0.00 0.00 0.00 33.01 28.75 1s1i s GLN 29 CO 0.15 -1.28 0.00 0.36 0.00 0.00 0.00 175.29 174.53 1s1i n LYS 30 N 4.18 0.00 0.06 9.60 0.00 -1.26 -5.02 118.16 125.72 1s1i n LYS 30 Ca 0.07 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.38 1s1i n LYS 30 Cb 0.44 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.47 1s1i n LYS 30 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 1s1i n LYS 31 N 0.00 0.00 -3.63 -1.58 4.01 -1.26 -5.00 118.16 110.70 1s1i n LYS 31 Ca 0.00 0.00 -0.12 0.00 -0.51 0.00 0.00 58.31 57.68 1s1i n LYS 31 Cb 0.00 -0.10 -0.07 0.00 -0.51 0.00 0.00 35.03 34.35 1s1i n LYS 31 CO 0.00 0.00 0.00 0.95 -1.11 0.00 0.00 177.40 177.24 1s1i s THR 32 N -2.00 0.00 0.00 -0.18 -4.23 -1.26 -4.75 115.64 103.22 1s1i s THR 32 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 61.69 60.51 1s1i s THR 32 Cb 0.00 -1.00 0.00 0.00 1.34 0.00 0.00 72.50 72.84 1s1i s THR 32 CO 0.00 0.00 0.00 0.00 -0.54 0.00 0.00 174.62 174.08 1s1i n SER 34 N 0.00 -5.91 0.00 0.00 2.88 -1.25 -2.69 113.62 106.64 1s1i n SER 34 Ca 0.00 -0.29 0.00 0.00 -1.33 0.00 0.00 58.87 57.25 1s1i n SER 34 Cb 0.00 -4.71 0.00 0.00 -0.75 0.00 0.00 64.21 58.75 1s1i n SER 34 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1s1i n SER 35 N -2.31 0.00 -4.73 -3.46 7.64 -1.26 -4.66 113.62 104.85 1s1i n SER 35 Ca -0.10 0.00 -0.32 0.00 1.01 0.00 0.00 58.87 59.46 1s1i n SER 35 Cb 0.61 0.00 0.11 0.00 -1.01 0.00 0.00 64.21 63.92 1s1i n SER 35 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1s1i n GLY 37 N -0.26 -0.74 0.00 0.00 0.00 -1.26 -4.70 105.19 98.23 1s1i n GLY 37 Ca 0.11 -1.17 0.00 0.00 0.00 0.00 0.00 46.02 44.97 1s1i n GLY 37 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 1s1i n TYR 38 N 0.00 0.00 0.21 1.61 0.18 -1.26 -4.14 117.16 113.76 1s1i n TYR 38 Ca 0.00 0.00 0.05 0.00 1.88 0.00 0.00 57.90 59.83 1s1i n TYR 38 Cb 0.00 0.00 0.44 0.00 -0.38 0.00 0.00 39.34 39.40 1s1i n TYR 38 CO 0.00 0.00 0.00 -1.35 -2.08 0.00 0.00 176.86 173.43 1s1i h PRO 39 N 0.09 0.00 -6.92 -3.48 0.11 -1.95 -3.23 132.00 116.62 1s1i h PRO 39 Ca 0.00 0.00 -0.53 0.00 0.11 0.00 0.00 66.00 65.58 1s1i h PRO 39 Cb 0.00 0.00 0.08 0.00 0.11 0.00 0.00 31.00 31.19 1s1i h PRO 39 CO 0.00 0.28 0.65 0.00 -0.21 0.00 0.00 178.00 178.72 1s1i s ALA 40 N -4.34 3.41 -0.90 -0.75 0.00 -1.26 -4.90 121.76 113.03 1s1i s ALA 40 Ca -0.03 1.30 -0.14 0.00 0.00 0.00 0.00 51.96 53.09 1s1i s ALA 40 Cb 0.15 -3.50 0.21 0.00 0.00 0.00 0.00 23.12 19.98 1s1i s ALA 40 CO 0.70 -0.77 0.90 0.00 0.00 0.00 0.00 175.76 176.59 1s1i s ALA 41 N -1.18 4.08 0.00 0.00 0.00 -1.26 -4.63 121.76 118.76 1s1i s ALA 41 Ca 0.53 -3.33 0.00 0.00 0.00 0.00 0.00 51.96 49.16 1s1i s ALA 41 Cb -0.40 -3.63 0.00 0.00 0.00 0.00 0.00 23.12 19.09 1s1i s ALA 41 CO 0.53 -2.39 0.00 1.63 0.00 0.00 0.00 175.76 175.53 1s1i n LYS 42 N 4.21 0.00 -4.31 0.00 5.02 -1.26 -5.09 118.16 116.73 1s1i n LYS 42 Ca 0.18 0.00 -0.17 0.00 -2.02 0.00 0.00 58.31 56.30 1s1i n LYS 42 Cb 0.46 0.00 -0.10 0.00 -0.02 0.00 0.00 35.03 35.37 1s1i n LYS 42 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1s1i s THR 43 N 1.16 1.35 0.04 -0.18 -4.23 -1.26 -4.63 115.64 107.89 1s1i s THR 43 Ca 0.00 -2.10 0.04 0.00 -1.18 0.00 0.00 61.69 58.44 1s1i s THR 43 Cb 0.00 -2.05 -0.04 0.00 1.34 0.00 0.00 72.50 71.75 1s1i s THR 43 CO 0.00 -0.58 -0.04 -0.13 -0.54 0.00 0.00 174.62 173.32 1s1i s ARG 44 N -3.74 2.54 0.00 3.99 1.81 -1.26 -4.46 118.95 117.83 1s1i s ARG 44 Ca 0.22 -0.77 0.00 0.00 -1.72 0.00 0.00 55.73 53.45 1s1i s ARG 44 Cb 0.02 -2.52 0.00 0.00 -0.45 0.00 0.00 34.95 32.01 1s1i s ARG 44 CO 0.05 0.58 0.00 -1.13 -0.68 0.00 0.00 175.30 174.12 1s1i n SER 45 N 1.15 0.00 0.00 0.23 3.41 -1.26 -4.58 113.62 112.57 1s1i n SER 45 Ca -0.14 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.47 1s1i n SER 45 Cb 0.52 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.47 1s1i n SER 45 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1s1i n TYR 46 N 0.00 0.00 -3.51 7.33 9.36 -1.26 -4.98 117.16 124.10 1s1i n TYR 46 Ca 0.00 0.00 -0.42 0.00 3.32 0.00 0.00 57.90 60.80 1s1i n TYR 46 Cb 0.00 0.00 -0.06 0.00 -0.63 0.00 0.00 39.34 38.65 1s1i n TYR 46 CO 0.00 0.00 0.00 -0.80 0.22 0.00 0.00 176.86 176.28 1s1i s ASN 47 N 0.00 5.94 -0.03 2.98 -0.87 -1.26 -4.58 114.94 117.12 1s1i s ASN 47 Ca 0.00 -2.44 0.05 0.00 -1.57 0.00 0.00 52.86 48.90 1s1i s ASN 47 Cb 0.00 -2.04 0.07 0.00 -0.02 0.00 0.00 41.25 39.26 1s1i s ASN 47 CO 0.00 -0.57 0.96 -2.67 -2.57 0.00 0.00 177.10 172.25 1s1i n TRP 48 N 4.21 0.00 0.00 2.20 2.14 -1.26 -4.93 117.44 119.79 1s1i n TRP 48 Ca 0.03 -0.28 0.00 0.00 2.07 0.00 0.00 57.50 59.33 1s1i n TRP 48 Cb 0.42 -0.07 0.00 0.00 -0.81 0.00 0.00 31.31 30.85 1s1i n TRP 48 CO 0.00 0.00 0.00 0.41 2.07 0.00 0.00 177.69 180.17 1s1i n GLY 49 N -0.38 -1.75 3.74 -1.67 0.00 -1.26 -5.10 105.19 98.76 1s1i n GLY 49 Ca 0.04 0.66 -0.42 0.00 0.00 0.00 0.00 46.02 46.30 1s1i n GLY 49 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s1i n ALA 50 N -2.38 2.04 -1.91 4.61 0.00 -1.26 -4.94 120.51 116.68 1s1i n ALA 50 Ca 0.00 0.35 -0.33 0.00 0.00 0.00 0.00 53.44 53.47 1s1i n ALA 50 Cb 0.00 -2.37 -0.07 0.00 0.00 0.00 0.00 19.45 17.01 1s1i n ALA 50 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1s1i s LYS 51 N -1.72 4.15 0.00 0.00 3.01 -1.26 -4.84 119.74 119.09 1s1i s LYS 51 Ca 0.56 0.99 0.00 0.00 -1.01 0.00 0.00 55.97 56.51 1s1i s LYS 51 Cb -0.51 -2.24 0.00 0.00 -1.01 0.00 0.00 37.83 34.06 1s1i s LYS 51 CO 0.60 0.01 0.36 0.00 0.51 0.00 0.00 175.35 176.83