#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 0.28 0.39 1.61 0.01 -1.26 -5.16 113.70 109.57 2eoo s SER 2 Ca 0.00 -0.00 0.04 0.00 1.31 0.00 0.00 55.95 57.30 2eoo s SER 2 Cb 0.00 -0.16 -0.03 0.00 0.21 0.00 0.00 66.02 66.04 2eoo s SER 2 CO 0.00 -0.11 0.13 -0.44 0.41 0.00 0.00 173.24 173.24 2eoo s SER 3 N 1.00 2.61 -0.64 2.44 0.01 -1.26 -5.04 113.70 112.82 2eoo s SER 3 Ca -0.09 -1.65 -0.30 0.00 1.31 0.00 0.00 55.95 55.22 2eoo s SER 3 Cb -0.13 0.46 -0.17 0.00 0.21 0.00 0.00 66.02 66.39 2eoo s SER 3 CO -0.02 -0.91 1.99 0.61 0.41 0.00 0.00 173.24 175.32 2eoo n GLY 4 N -0.85 -0.28 0.39 3.44 0.00 -1.26 -4.69 105.19 101.93 2eoo n GLY 4 Ca -0.05 0.93 0.34 0.00 0.00 0.00 0.00 46.02 47.24 2eoo n GLY 4 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2eoo h SER 5 N 8.68 0.30 0.00 1.61 4.64 -1.99 -3.12 113.55 123.66 2eoo h SER 5 Ca -0.06 0.21 -0.10 0.00 -0.47 0.00 0.00 61.79 61.37 2eoo h SER 5 Cb 1.10 0.20 -0.02 0.00 -0.31 0.00 0.00 62.40 63.38 2eoo h SER 5 CO 1.02 -0.32 -1.08 -1.54 -0.87 0.00 0.00 176.83 174.05 2eoo n SER 6 N -5.01 1.00 0.00 4.97 3.41 -1.26 -5.07 113.62 111.66 2eoo n SER 6 Ca 0.38 0.16 0.00 0.00 -0.26 0.00 0.00 58.87 59.15 2eoo n SER 6 Cb 1.35 -0.37 0.00 0.00 -0.26 0.00 0.00 64.21 64.93 2eoo n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2eoo n GLY 7 N 2.52 1.32 3.14 5.00 0.00 -1.18 -5.13 105.19 110.86 2eoo n GLY 7 Ca -0.14 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.76 2eoo n GLY 7 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2eoo s SER 8 N -2.00 -0.16 0.00 1.61 1.04 -1.26 -5.11 113.70 107.82 2eoo s SER 8 Ca 0.00 0.23 0.00 0.00 0.48 0.00 0.00 55.95 56.66 2eoo s SER 8 Cb 0.00 0.38 0.00 0.00 0.10 0.00 0.00 66.02 66.50 2eoo s SER 8 CO 0.00 -0.22 0.00 0.61 0.98 0.00 0.00 173.24 174.61 2eoo n GLY 9 N 2.27 0.14 2.77 7.32 0.00 -1.26 -5.04 105.19 111.39 2eoo n GLY 9 Ca -0.17 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.55 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 0.00 0.82 0.00 1.61 -6.30 -1.26 -5.12 118.70 108.45 2eoo s GLU 10 Ca 0.00 -1.11 0.04 0.00 -2.50 0.00 0.00 54.97 51.39 2eoo s GLU 10 Cb 0.00 -2.13 -0.03 0.00 0.00 0.00 0.00 34.13 31.96 2eoo s GLU 10 CO 0.00 -0.95 -0.09 -0.98 0.02 0.00 0.00 175.26 173.26 2eoo s ARG 11 N 1.55 2.48 0.11 4.30 3.03 -1.26 -5.04 118.95 124.12 2eoo s ARG 11 Ca 0.09 -0.76 -0.14 0.00 2.03 0.00 0.00 55.73 56.95 2eoo s ARG 11 Cb -0.17 -2.45 -0.08 0.00 -1.03 0.00 0.00 34.95 31.22 2eoo s ARG 11 CO -0.22 0.60 1.43 -1.00 -1.13 0.00 0.00 175.30 174.98 2eoo h PRO 12 N 4.60 0.73 -5.51 3.89 0.13 -1.91 -3.43 132.00 130.50 2eoo h PRO 12 Ca -0.48 -0.38 -0.67 0.00 -0.87 0.00 0.00 66.00 63.59 2eoo h PRO 12 Cb 1.16 0.01 -0.29 0.00 0.13 0.00 0.00 31.00 32.02 2eoo h PRO 12 CO 0.52 1.00 -0.81 0.71 -0.23 0.00 0.00 178.00 179.19 2eoo s TYR 13 N -4.37 2.68 -0.27 1.56 2.02 -1.24 -5.06 117.35 112.66 2eoo s TYR 13 Ca -0.12 -0.73 -0.02 0.00 -0.37 0.00 0.00 57.07 55.83 2eoo s TYR 13 Cb 0.09 -1.75 0.12 0.00 -0.40 0.00 0.00 41.96 40.02 2eoo s TYR 13 CO 0.84 -0.24 0.26 0.20 -1.57 0.00 0.00 175.55 175.04 2eoo s GLY 14 N 0.18 -0.02 -0.38 0.71 0.00 -1.26 -1.68 107.32 104.86 2eoo s GLY 14 Ca -0.10 -0.27 -0.27 0.00 0.00 0.00 0.00 44.72 44.07 2eoo s GLY 14 CO 0.06 2.46 2.18 0.00 0.00 0.00 0.00 173.10 177.79 2eoo n ASN 16 N 13.16 1.06 -0.03 0.00 3.02 -1.26 -2.46 115.26 128.75 2eoo n ASN 16 Ca 0.30 -1.70 -0.01 0.00 -0.03 0.00 0.00 54.58 53.14 2eoo n ASN 16 Cb 0.50 -0.09 -0.00 0.00 -0.61 0.00 0.00 39.78 39.58 2eoo n ASN 16 CO 0.00 0.00 0.00 -0.08 -2.62 0.00 0.00 177.26 174.56 2eoo h GLU 17 N 1.34 0.00 0.02 3.52 4.57 -1.97 -3.44 114.58 118.62 2eoo h GLU 17 Ca 0.00 0.00 -0.39 0.00 -1.18 0.00 0.00 59.36 57.79 2eoo h GLU 17 Cb 0.30 0.00 -0.06 0.00 -0.16 0.00 0.00 28.75 28.82 2eoo h GLU 17 CO 0.00 0.00 -2.40 0.00 -1.18 0.00 0.00 179.01 175.43 2eoo n GLY 19 N 2.08 0.67 3.33 0.00 0.00 -1.03 -5.14 105.19 105.11 2eoo n GLY 19 Ca -0.45 -0.67 -0.03 0.00 0.00 0.00 0.00 46.02 44.87 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 -0.10 0.48 0.62 1.61 1.02 -1.16 -5.00 119.74 117.21 2eoo s LYS 20 Ca 0.00 1.12 -0.01 0.00 0.02 0.00 0.00 55.97 57.10 2eoo s LYS 20 Cb 0.00 0.48 0.06 0.00 -0.52 0.00 0.00 37.83 37.85 2eoo s LYS 20 CO 0.00 -0.37 0.87 0.54 -0.92 0.00 0.00 175.35 175.47 2eoo s ASN 21 N 2.77 4.97 0.16 2.83 2.20 -1.26 -1.58 114.94 125.03 2eoo s ASN 21 Ca 0.04 -0.02 -0.15 0.00 -0.94 0.00 0.00 52.86 51.79 2eoo s ASN 21 Cb -0.13 -0.70 0.02 0.00 -2.00 0.00 0.00 41.25 38.44 2eoo s ASN 21 CO -0.17 -1.39 0.41 -0.36 -2.94 0.00 0.00 177.10 172.65 2eoo s PHE 22 N -2.93 -0.01 -0.04 1.54 0.08 -0.68 -4.93 117.98 111.02 2eoo s PHE 22 Ca 0.60 -0.34 0.18 0.00 0.12 0.00 0.00 56.93 57.49 2eoo s PHE 22 Cb -0.09 0.23 -0.28 0.00 -0.57 0.00 0.00 43.02 42.30 2eoo s PHE 22 CO 0.41 -0.79 0.38 0.41 -0.10 0.00 0.00 175.22 175.52 2eoo n GLY 23 N -0.26 -0.84 3.46 4.36 0.00 -1.26 -3.62 105.19 107.03 2eoo n GLY 23 Ca -0.11 -0.43 -0.31 0.00 0.00 0.00 0.00 46.02 45.17 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 -3.21 2.03 0.18 1.61 0.52 -1.26 -4.91 118.95 113.90 2eoo s ARG 24 Ca -0.07 -1.01 -0.14 0.00 -0.52 0.00 0.00 55.73 53.99 2eoo s ARG 24 Cb 0.11 -2.18 0.15 0.00 0.52 0.00 0.00 34.95 33.56 2eoo s ARG 24 CO 0.76 0.53 1.74 1.25 0.02 0.00 0.00 175.30 179.60 2eoo h HIS 25 N 4.43 0.24 -0.46 -0.53 -0.00 -2.01 -2.15 115.15 114.66 2eoo h HIS 25 Ca -0.48 0.02 0.05 0.00 -0.00 0.00 0.00 60.37 59.97 2eoo h HIS 25 Cb 1.16 -0.04 -0.05 0.00 -0.00 0.00 0.00 27.41 28.48 2eoo h HIS 25 CO 0.54 0.07 0.20 0.66 -0.00 0.00 0.00 177.93 179.40 2eoo h SER 26 N 0.30 0.25 -0.93 3.26 4.64 -1.99 -1.75 113.55 117.33 2eoo h SER 26 Ca 0.22 0.04 0.23 0.00 -0.47 0.00 0.00 61.79 61.82 2eoo h SER 26 Cb 0.25 0.00 -0.13 0.00 -0.31 0.00 0.00 62.40 62.21 2eoo h SER 26 CO -0.25 0.18 0.45 0.45 -0.87 0.00 0.00 176.83 176.79 2eoo h HIS 27 N 0.40 0.75 -0.03 4.77 3.86 -1.81 0.20 115.15 123.29 2eoo h HIS 27 Ca 0.21 0.04 -0.01 0.00 -1.16 0.00 0.00 60.37 59.45 2eoo h HIS 27 Cb 0.17 -0.19 -0.00 0.00 1.06 0.00 0.00 27.41 28.45 2eoo h HIS 27 CO -0.13 -0.03 -0.02 1.25 0.86 0.00 0.00 177.93 179.86 2eoo h LEU 28 N 0.44 0.07 0.46 2.43 5.85 -1.19 -1.67 115.31 121.69 2eoo h LEU 28 Ca 0.59 -0.44 -0.01 0.00 0.84 0.00 0.00 57.88 58.86 2eoo h LEU 28 Cb 1.15 -0.02 -0.02 0.00 0.37 0.00 0.00 40.66 42.14 2eoo h LEU 28 CO -0.52 0.50 -0.39 0.40 -0.34 0.00 0.00 178.44 178.09 2eoo h ILE 29 N -0.35 0.21 -0.90 4.05 1.08 -0.55 -0.19 117.51 120.86 2eoo h ILE 29 Ca 0.01 0.00 0.10 0.00 -0.39 0.00 0.00 64.86 64.58 2eoo h ILE 29 Cb 0.47 0.21 -0.08 0.00 -3.07 0.00 0.00 36.82 34.36 2eoo h ILE 29 CO 0.01 0.00 0.54 -0.08 -0.69 0.00 0.00 178.15 177.92 2eoo h GLU 30 N -0.84 0.86 -0.08 2.37 4.81 -0.77 -2.06 114.58 118.87 2eoo h GLU 30 Ca -0.04 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.14 2eoo h GLU 30 Cb 0.73 -0.19 -0.00 0.00 0.63 0.00 0.00 28.75 29.91 2eoo h GLU 30 CO -0.02 0.57 0.05 1.25 -0.73 0.00 0.00 179.01 180.12 2eoo h HIS 31 N 0.89 0.09 -0.70 0.92 2.76 -0.89 -2.12 115.15 116.09 2eoo h HIS 31 Ca 0.43 0.00 0.16 0.00 -2.20 0.00 0.00 60.37 58.77 2eoo h HIS 31 Cb 0.39 -0.03 -0.04 0.00 1.55 0.00 0.00 27.41 29.28 2eoo h HIS 31 CO -0.04 0.05 0.48 -0.07 -1.30 0.00 0.00 177.93 177.06 2eoo h LEU 32 N 0.10 0.21 -0.42 0.26 3.38 -0.34 -2.00 115.31 116.50 2eoo h LEU 32 Ca 0.03 0.01 0.09 0.00 0.09 0.00 0.00 57.88 58.10 2eoo h LEU 32 Cb -0.01 -0.03 -0.09 0.00 0.09 0.00 0.00 40.66 40.62 2eoo h LEU 32 CO -0.01 0.11 -0.27 0.11 0.09 0.00 0.00 178.44 178.47 2eoo h LYS 33 N 0.23 -0.18 -0.90 1.13 1.79 -0.99 -1.26 116.57 116.38 2eoo h LYS 33 Ca 0.34 0.01 0.16 0.00 -2.18 0.00 0.00 60.65 58.98 2eoo h LYS 33 Cb 1.01 0.04 -0.16 0.00 -1.58 0.00 0.00 32.23 31.54 2eoo h LYS 33 CO -0.07 -0.12 -0.30 0.00 -1.08 0.00 0.00 179.45 177.88 2eoo h ARG 34 N -0.19 -0.02 0.26 3.15 3.08 -1.44 0.63 114.38 119.85 2eoo h ARG 34 Ca 0.19 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.24 2eoo h ARG 34 Cb 0.50 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.55 2eoo h ARG 34 CO -0.53 -0.01 -0.19 0.45 -1.07 0.00 0.00 179.97 178.61 2eoo h HIS 35 N -0.02 -0.49 -0.74 3.04 3.86 -1.38 -3.04 115.15 116.37 2eoo h HIS 35 Ca 0.38 -0.00 0.09 0.00 -1.16 0.00 0.00 60.37 59.68 2eoo h HIS 35 Cb 0.63 0.18 -0.11 0.00 1.06 0.00 0.00 27.41 29.16 2eoo h HIS 35 CO -0.76 -0.29 -0.50 0.35 0.86 0.00 0.00 177.93 177.60 2eoo h PHE 36 N -0.45 -1.52 -0.75 2.45 3.04 -0.31 -1.12 116.94 118.28 2eoo h PHE 36 Ca -0.02 0.10 0.08 0.00 3.98 0.00 0.00 57.97 62.11 2eoo h PHE 36 Cb 0.39 0.76 -0.09 0.00 2.56 0.00 0.00 35.95 39.57 2eoo h PHE 36 CO -0.11 -0.42 -0.42 -2.13 -2.02 0.00 0.00 178.31 173.21 2eoo n ARG 37 N -5.36 -0.31 -1.68 1.11 0.63 -0.71 -4.37 116.66 105.97 2eoo n ARG 37 Ca 0.02 1.14 -0.41 0.00 -0.92 0.00 0.00 57.85 57.68 2eoo n ARG 37 Cb 0.33 -1.67 0.01 0.00 0.45 0.00 0.00 32.46 31.58 2eoo n ARG 37 CO 0.00 0.00 0.00 -1.91 -2.51 0.00 0.00 177.63 173.21 2eoo n GLU 38 N -4.96 1.80 -2.96 -0.14 2.13 -0.43 -4.96 120.64 111.13 2eoo n GLU 38 Ca 0.02 0.64 -0.38 0.00 0.66 0.00 0.00 57.16 58.11 2eoo n GLU 38 Cb 0.21 -2.30 -0.06 0.00 0.27 0.00 0.00 31.44 29.56 2eoo n GLU 38 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 2eoo s LYS 39 N -2.15 4.50 -0.25 5.31 3.01 -1.26 -5.00 119.74 123.89 2eoo s LYS 39 Ca 0.61 1.14 0.03 0.00 -1.01 0.00 0.00 55.97 56.73 2eoo s LYS 39 Cb -0.52 -3.06 0.06 0.00 -1.01 0.00 0.00 37.83 33.30 2eoo s LYS 39 CO 0.58 0.46 -0.10 0.45 0.51 0.00 0.00 175.35 177.25 2eoo s SER 40 N -1.39 4.34 -0.29 2.83 0.15 -1.26 -5.09 113.70 112.99 2eoo s SER 40 Ca 0.41 -1.36 -0.29 0.00 0.70 0.00 0.00 55.95 55.42 2eoo s SER 40 Cb -0.21 -1.48 -0.00 0.00 -1.71 0.00 0.00 66.02 62.62 2eoo s SER 40 CO 0.25 -0.20 1.34 -0.44 1.20 0.00 0.00 173.24 175.39 2eoo s SER 41 N 1.15 6.65 0.00 5.45 0.01 -1.26 -4.54 113.70 121.16 2eoo s SER 41 Ca -0.08 1.27 0.00 0.00 1.31 0.00 0.00 55.95 58.45 2eoo s SER 41 Cb -0.20 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.49 2eoo s SER 41 CO -0.05 -1.09 0.00 0.61 0.41 0.00 0.00 173.24 173.12 2eoo n GLY 42 N 4.33 1.06 3.68 3.44 0.00 -1.26 -5.14 105.19 111.31 2eoo n GLY 42 Ca 0.15 -0.60 -0.29 0.00 0.00 0.00 0.00 46.02 45.29 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 -0.08 0.49 0.27 1.61 0.04 -1.26 -5.07 135.00 131.00 2eoo s PRO 43 Ca 0.00 0.55 0.07 0.00 0.04 0.00 0.00 61.00 61.65 2eoo s PRO 43 Cb 0.00 -1.74 -0.03 0.00 0.04 0.00 0.00 34.50 32.77 2eoo s PRO 43 CO 0.00 -2.70 0.26 -1.12 0.04 0.00 0.00 177.00 173.48 2eoo s SER 44 N -3.45 5.62 -0.44 6.66 0.01 -1.26 -5.05 113.70 115.80 2eoo s SER 44 Ca 0.65 -0.25 -0.28 0.00 1.31 0.00 0.00 55.95 57.38 2eoo s SER 44 Cb -0.19 -1.37 -0.01 0.00 0.21 0.00 0.00 66.02 64.67 2eoo s SER 44 CO 0.58 -0.14 1.67 -0.44 0.41 0.00 0.00 173.24 175.32 2eoo s SER 45 N -3.92 5.90 0.00 2.44 0.01 -1.26 -5.34 113.70 111.53 2eoo s SER 45 Ca 0.36 0.84 0.00 0.00 1.31 0.00 0.00 55.95 58.46 2eoo s SER 45 Cb -0.08 -2.53 0.00 0.00 0.21 0.00 0.00 66.02 63.62 2eoo s SER 45 CO 0.26 -1.79 0.00 0.61 0.41 0.00 0.00 173.24 172.74