#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2eoo s SER 2 N 0.00 2.53 -0.40 1.61 0.15 -1.26 -5.11 113.70 111.22 2eoo s SER 2 Ca 0.00 -0.61 0.01 0.00 0.70 0.00 0.00 55.95 56.05 2eoo s SER 2 Cb 0.00 -0.17 0.13 0.00 -1.71 0.00 0.00 66.02 64.27 2eoo s SER 2 CO 0.00 0.11 0.21 -0.94 1.20 0.00 0.00 173.24 173.82 2eoo s SER 3 N -1.57 3.59 0.00 5.45 1.04 -1.26 -5.06 113.70 115.89 2eoo s SER 3 Ca 0.07 -2.38 0.00 0.00 0.48 0.00 0.00 55.95 54.12 2eoo s SER 3 Cb -0.09 -0.89 0.00 0.00 0.10 0.00 0.00 66.02 65.14 2eoo s SER 3 CO 0.03 -0.30 0.00 0.61 0.98 0.00 0.00 173.24 174.56 2eoo n GLY 4 N 3.86 -2.16 3.56 7.32 0.00 -1.26 -4.88 105.19 111.62 2eoo n GLY 4 Ca 0.07 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.88 2eoo n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2eoo n SER 5 N 0.00 -4.72 -4.66 1.61 7.64 -1.26 -4.97 113.62 107.27 2eoo n SER 5 Ca 0.00 -0.59 -0.38 0.00 1.01 0.00 0.00 58.87 58.91 2eoo n SER 5 Cb 0.00 -4.99 -0.08 0.00 -1.01 0.00 0.00 64.21 58.13 2eoo n SER 5 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2eoo s SER 6 N -3.70 6.37 0.00 6.43 1.04 -1.26 -4.98 113.70 117.60 2eoo s SER 6 Ca 0.38 0.44 0.00 0.00 0.48 0.00 0.00 55.95 57.25 2eoo s SER 6 Cb -0.17 -2.22 0.00 0.00 0.10 0.00 0.00 66.02 63.74 2eoo s SER 6 CO 0.74 -0.09 0.00 0.61 0.98 0.00 0.00 173.24 175.48 2eoo n GLY 7 N 4.09 -0.58 3.60 7.32 0.00 -1.26 -5.14 105.19 113.22 2eoo n GLY 7 Ca -0.09 -0.71 -0.39 0.00 0.00 0.00 0.00 46.02 44.83 2eoo n GLY 7 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2eoo n SER 8 N 0.00 0.78 -2.31 1.61 7.64 -1.26 -3.81 113.62 116.27 2eoo n SER 8 Ca 0.00 0.90 -0.06 0.00 1.01 0.00 0.00 58.87 60.72 2eoo n SER 8 Cb 0.00 -1.35 0.03 0.00 -1.01 0.00 0.00 64.21 61.88 2eoo n SER 8 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2eoo n GLY 9 N 1.30 -0.16 3.64 0.23 0.00 -1.26 -5.07 105.19 103.86 2eoo n GLY 9 Ca 0.11 0.13 -0.06 0.00 0.00 0.00 0.00 46.02 46.20 2eoo n GLY 9 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2eoo s GLU 10 N -3.56 0.65 0.47 1.61 2.12 -1.25 -5.14 118.70 113.61 2eoo s GLU 10 Ca 0.18 1.19 -0.24 0.00 0.36 0.00 0.00 54.97 56.46 2eoo s GLU 10 Cb -0.02 0.22 -0.07 0.00 0.26 0.00 0.00 34.13 34.52 2eoo s GLU 10 CO 0.35 -0.15 1.35 1.03 -0.54 0.00 0.00 175.26 177.30 2eoo s ARG 11 N 1.77 3.57 0.36 4.30 3.00 -1.26 -4.92 118.95 125.77 2eoo s ARG 11 Ca -0.09 2.24 0.15 0.00 0.00 0.00 0.00 55.73 58.02 2eoo s ARG 11 Cb -0.06 -2.52 0.68 0.00 0.00 0.00 0.00 34.95 33.05 2eoo s ARG 11 CO -0.19 -0.85 1.77 -1.00 0.00 0.00 0.00 175.30 175.03 2eoo h PRO 12 N 2.08 0.00 -1.92 3.54 0.13 -2.01 -3.21 132.00 130.61 2eoo h PRO 12 Ca -0.50 0.00 -0.41 0.00 -0.87 0.00 0.00 66.00 64.22 2eoo h PRO 12 Cb 1.27 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 32.25 2eoo h PRO 12 CO 0.60 0.42 0.25 0.66 -0.23 0.00 0.00 178.00 179.70 2eoo n TYR 13 N -3.84 1.27 -2.81 1.56 4.01 -1.26 -4.93 117.16 111.17 2eoo n TYR 13 Ca -0.01 -1.85 -0.42 0.00 -0.16 0.00 0.00 57.90 55.46 2eoo n TYR 13 Cb 0.47 -1.33 -0.04 0.00 -0.31 0.00 0.00 39.34 38.14 2eoo n TYR 13 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 2eoo s GLY 14 N 0.64 1.66 0.35 2.72 0.00 -1.22 -3.08 107.32 108.40 2eoo s GLY 14 Ca 0.54 -0.22 -0.23 0.00 0.00 0.00 0.00 44.72 44.81 2eoo s GLY 14 CO -0.14 1.97 0.91 0.00 0.00 0.00 0.00 173.10 175.84 2eoo n ASN 16 N 0.09 2.16 -0.29 0.00 3.02 -1.26 -3.08 115.26 115.91 2eoo n ASN 16 Ca 0.03 -0.03 0.08 0.00 -0.03 0.00 0.00 54.58 54.64 2eoo n ASN 16 Cb 0.52 0.46 0.21 0.00 -0.61 0.00 0.00 39.78 40.35 2eoo n ASN 16 CO 0.00 0.00 0.00 -0.33 -2.62 0.00 0.00 177.26 174.31 2eoo h GLU 17 N 0.00 0.09 0.00 3.52 4.39 -1.98 -3.32 114.58 117.28 2eoo h GLU 17 Ca -0.35 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.35 2eoo h GLU 17 Cb 1.71 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 30.34 2eoo h GLU 17 CO -0.01 0.06 -0.86 0.00 -1.16 0.00 0.00 179.01 177.05 2eoo n GLY 19 N 3.20 1.17 3.34 0.00 0.00 -1.18 -5.11 105.19 106.61 2eoo n GLY 19 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 2eoo n GLY 19 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2eoo s LYS 20 N -0.06 3.43 0.56 1.61 1.02 -1.24 -4.87 119.74 120.19 2eoo s LYS 20 Ca 0.00 -0.60 0.01 0.00 0.02 0.00 0.00 55.97 55.41 2eoo s LYS 20 Cb 0.00 -3.05 0.04 0.00 -0.52 0.00 0.00 37.83 34.30 2eoo s LYS 20 CO 0.00 -0.17 0.79 -0.80 -0.92 0.00 0.00 175.35 174.25 2eoo s ASN 21 N 1.43 5.20 0.02 2.83 0.01 -1.26 -2.12 114.94 121.05 2eoo s ASN 21 Ca 0.05 -0.06 -0.25 0.00 -0.71 0.00 0.00 52.86 51.89 2eoo s ASN 21 Cb -0.14 -0.78 0.06 0.00 0.41 0.00 0.00 41.25 40.79 2eoo s ASN 21 CO -0.02 -1.20 0.56 -0.36 -1.51 0.00 0.00 177.10 174.58 2eoo s PHE 22 N -2.78 -0.49 -0.25 2.20 0.08 -1.18 -4.96 117.98 110.60 2eoo s PHE 22 Ca 0.58 0.66 0.13 0.00 0.12 0.00 0.00 56.93 58.42 2eoo s PHE 22 Cb -0.10 0.36 0.73 0.00 -0.57 0.00 0.00 43.02 43.44 2eoo s PHE 22 CO 0.39 -0.63 1.69 0.41 -0.10 0.00 0.00 175.22 176.98 2eoo n GLY 23 N 0.59 3.48 3.14 4.36 0.00 -1.26 -4.16 105.19 111.34 2eoo n GLY 23 Ca -0.19 -0.99 -0.12 0.00 0.00 0.00 0.00 46.02 44.73 2eoo n GLY 23 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2eoo s ARG 24 N -2.87 0.29 0.13 1.61 0.52 -1.26 -5.06 118.95 112.31 2eoo s ARG 24 Ca 0.52 0.52 -0.25 0.00 -0.52 0.00 0.00 55.73 56.00 2eoo s ARG 24 Cb 0.41 0.01 -0.03 0.00 0.52 0.00 0.00 34.95 35.86 2eoo s ARG 24 CO 0.13 -0.11 1.63 1.25 0.02 0.00 0.00 175.30 178.22 2eoo h HIS 25 N 6.57 -0.68 -0.17 -0.53 -0.00 -2.00 -2.29 115.15 116.05 2eoo h HIS 25 Ca -0.34 0.03 0.03 0.00 -0.00 0.00 0.00 60.37 60.09 2eoo h HIS 25 Cb 1.17 0.31 -0.03 0.00 -0.00 0.00 0.00 27.41 28.87 2eoo h HIS 25 CO 0.36 -0.34 -0.03 0.77 -0.00 0.00 0.00 177.93 178.69 2eoo h SER 26 N -0.36 -0.12 -0.86 3.26 0.02 -1.99 -2.02 113.55 111.47 2eoo h SER 26 Ca 0.08 0.05 0.22 0.00 -0.84 0.00 0.00 61.79 61.30 2eoo h SER 26 Cb 0.47 0.09 -0.14 0.00 0.14 0.00 0.00 62.40 62.96 2eoo h SER 26 CO -0.27 -0.04 0.19 0.45 -1.14 0.00 0.00 176.83 176.02 2eoo h HIS 27 N 0.02 0.26 0.06 3.45 3.86 -1.87 -0.14 115.15 120.79 2eoo h HIS 27 Ca 0.08 0.05 -0.00 0.00 -1.16 0.00 0.00 60.37 59.34 2eoo h HIS 27 Cb 0.11 0.02 0.00 0.00 1.06 0.00 0.00 27.41 28.60 2eoo h HIS 27 CO -0.18 -0.22 -0.03 1.25 0.86 0.00 0.00 177.93 179.61 2eoo h LEU 28 N 0.18 -0.07 -0.12 2.43 5.85 -0.86 -2.38 115.31 120.35 2eoo h LEU 28 Ca 0.53 -0.27 0.02 0.00 0.84 0.00 0.00 57.88 58.99 2eoo h LEU 28 Cb 1.04 0.02 -0.03 0.00 0.37 0.00 0.00 40.66 42.06 2eoo h LEU 28 CO -0.66 0.23 -0.18 0.40 -0.34 0.00 0.00 178.44 177.88 2eoo h ILE 29 N -0.38 0.00 -0.83 4.05 1.08 -0.37 0.76 117.51 121.82 2eoo h ILE 29 Ca -0.01 0.00 0.18 0.00 -0.39 0.00 0.00 64.86 64.65 2eoo h ILE 29 Cb 0.33 0.00 -0.11 0.00 -3.07 0.00 0.00 36.82 33.97 2eoo h ILE 29 CO 0.01 0.00 0.33 -0.33 -0.69 0.00 0.00 178.15 177.48 2eoo h GLU 30 N -0.14 0.40 -0.29 2.37 4.39 -1.42 -0.57 114.58 119.31 2eoo h GLU 30 Ca 0.02 -0.02 0.06 0.00 0.34 0.00 0.00 59.36 59.75 2eoo h GLU 30 Cb 0.20 -0.09 -0.05 0.00 -0.10 0.00 0.00 28.75 28.71 2eoo h GLU 30 CO -0.19 0.26 -0.04 1.25 -1.16 0.00 0.00 179.01 179.13 2eoo h HIS 31 N 0.41 -0.09 -0.24 4.33 -0.00 -0.65 0.51 115.15 119.41 2eoo h HIS 31 Ca 0.49 0.02 0.07 0.00 -0.00 0.00 0.00 60.37 60.95 2eoo h HIS 31 Cb 0.86 0.09 -0.01 0.00 -0.00 0.00 0.00 27.41 28.34 2eoo h HIS 31 CO -0.17 -0.09 0.46 -0.07 -0.00 0.00 0.00 177.93 178.06 2eoo h LEU 32 N 0.04 0.00 0.80 0.26 3.38 0.76 -1.66 115.31 118.89 2eoo h LEU 32 Ca 0.14 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.07 2eoo h LEU 32 Cb 0.20 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.96 2eoo h LEU 32 CO -0.27 0.00 -0.38 0.11 0.09 0.00 0.00 178.44 177.98 2eoo h LYS 33 N 0.00 -1.03 -1.39 1.13 1.79 -0.78 -1.27 116.57 115.01 2eoo h LYS 33 Ca 0.11 0.07 0.48 0.00 -2.18 0.00 0.00 60.65 59.13 2eoo h LYS 33 Cb 1.03 0.23 -0.14 0.00 -1.58 0.00 0.00 32.23 31.78 2eoo h LYS 33 CO -0.00 -0.69 0.90 2.89 -1.08 0.00 0.00 179.45 181.47 2eoo n ARG 34 N -5.55 -0.04 -0.03 3.15 1.85 -0.62 0.21 116.66 115.63 2eoo n ARG 34 Ca -0.15 1.25 -0.09 0.00 -1.00 0.00 0.00 57.85 57.87 2eoo n ARG 34 Cb 0.43 -2.48 -0.08 0.00 -1.05 0.00 0.00 32.46 29.29 2eoo n ARG 34 CO 0.00 0.00 0.00 0.45 -0.01 0.00 0.00 177.63 178.07 2eoo h HIS 35 N 0.00 -0.06 0.38 2.89 3.86 -1.56 -3.37 115.15 117.29 2eoo h HIS 35 Ca 0.88 -0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 60.09 2eoo h HIS 35 Cb 2.86 0.02 -0.02 0.00 1.06 0.00 0.00 27.41 31.33 2eoo h HIS 35 CO -0.01 0.48 -0.37 0.74 0.86 0.00 0.00 177.93 179.63 2eoo h PHE 36 N -0.96 -1.02 -0.44 2.45 0.04 0.65 -3.42 116.94 114.25 2eoo h PHE 36 Ca -0.01 0.01 -0.63 0.00 2.80 0.00 0.00 57.97 60.14 2eoo h PHE 36 Cb 0.56 0.40 -0.01 0.00 2.20 0.00 0.00 35.95 39.10 2eoo h PHE 36 CO 0.14 -0.52 0.73 0.54 -0.60 0.00 0.00 178.31 178.59 2eoo n ARG 37 N -5.48 0.00 -4.12 1.51 1.74 0.13 -4.91 116.66 105.54 2eoo n ARG 37 Ca -0.10 0.00 -0.23 0.00 -0.77 0.00 0.00 57.85 56.75 2eoo n ARG 37 Cb 0.38 -1.14 -0.05 0.00 -1.02 0.00 0.00 32.46 30.63 2eoo n ARG 37 CO 0.00 0.00 0.00 -1.83 -1.52 0.00 0.00 177.63 174.28 2eoo s GLU 38 N 3.25 2.89 0.22 5.56 -1.05 -1.26 -4.96 118.70 123.35 2eoo s GLU 38 Ca 0.85 -1.03 -0.30 0.00 -0.15 0.00 0.00 54.97 54.34 2eoo s GLU 38 Cb -1.14 -2.56 -0.09 0.00 -0.44 0.00 0.00 34.13 29.90 2eoo s GLU 38 CO 0.57 0.42 1.24 -1.59 0.95 0.00 0.00 175.26 176.85 2eoo s LYS 39 N -3.68 4.45 -0.12 -4.83 -2.85 -1.26 -5.03 119.74 106.42 2eoo s LYS 39 Ca 0.32 1.98 -0.07 0.00 -1.00 0.00 0.00 55.97 57.20 2eoo s LYS 39 Cb -0.08 -3.20 0.05 0.00 -2.06 0.00 0.00 37.83 32.54 2eoo s LYS 39 CO 0.24 -0.13 0.30 -1.12 0.10 0.00 0.00 175.35 174.74 2eoo s SER 40 N 0.01 -0.34 -1.10 0.03 0.01 -1.26 -5.08 113.70 105.98 2eoo s SER 40 Ca 0.53 0.64 -0.22 0.00 1.31 0.00 0.00 55.95 58.20 2eoo s SER 40 Cb -0.35 0.52 -0.03 0.00 0.21 0.00 0.00 66.02 66.37 2eoo s SER 40 CO 0.40 -0.17 1.84 -0.55 0.41 0.00 0.00 173.24 175.17 2eoo s SER 41 N 1.25 5.55 0.33 2.44 0.15 -1.26 -4.86 113.70 117.30 2eoo s SER 41 Ca -0.09 -1.47 -0.03 0.00 0.70 0.00 0.00 55.95 55.06 2eoo s SER 41 Cb -0.09 -2.58 0.01 0.00 -1.71 0.00 0.00 66.02 61.65 2eoo s SER 41 CO -0.09 -2.46 0.48 0.61 1.20 0.00 0.00 173.24 172.97 2eoo n GLY 42 N 6.19 2.07 3.58 9.45 0.00 -1.26 -5.17 105.19 120.05 2eoo n GLY 42 Ca 0.43 -1.56 -0.30 0.00 0.00 0.00 0.00 46.02 44.58 2eoo n GLY 42 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2eoo s PRO 43 N -2.67 -1.51 0.43 1.61 0.04 -1.26 -5.08 135.00 126.56 2eoo s PRO 43 Ca 0.26 -0.17 0.08 0.00 0.04 0.00 0.00 61.00 61.20 2eoo s PRO 43 Cb -0.01 -1.57 -0.01 0.00 0.04 0.00 0.00 34.50 32.95 2eoo s PRO 43 CO 0.18 -3.88 0.41 -1.12 0.04 0.00 0.00 177.00 172.63 2eoo s SER 44 N -3.97 5.07 -0.56 6.66 0.01 -1.26 -5.02 113.70 114.62 2eoo s SER 44 Ca 0.72 -0.76 -0.02 0.00 1.31 0.00 0.00 55.95 57.20 2eoo s SER 44 Cb -0.08 -0.48 0.33 0.00 0.21 0.00 0.00 66.02 65.99 2eoo s SER 44 CO 0.56 -0.71 2.10 -1.20 0.41 0.00 0.00 173.24 174.39 2eoo n SER 45 N -1.61 7.19 0.00 2.44 7.64 -1.26 -5.34 113.62 122.69 2eoo n SER 45 Ca 0.04 -3.52 0.10 0.00 1.01 0.00 0.00 58.87 56.51 2eoo n SER 45 Cb 0.62 -1.04 0.62 0.00 -1.01 0.00 0.00 64.21 63.40 2eoo n SER 45 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64