#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ofs s THR 2 N 0.00 1.94 0.07 2.52 2.01 -1.26 -5.12 115.64 115.81 1ofs s THR 2 Ca 0.00 -0.89 0.08 0.00 0.31 0.00 0.00 61.69 61.19 1ofs s THR 2 Cb 0.00 -1.78 -0.03 0.00 0.01 0.00 0.00 72.50 70.69 1ofs s THR 2 CO 0.00 0.50 -0.18 -0.44 -0.69 0.00 0.00 174.62 173.81 1ofs s SER 3 N 1.33 3.86 -0.05 3.53 0.01 -1.26 -5.12 113.70 116.00 1ofs s SER 3 Ca 0.04 -0.46 0.02 0.00 1.31 0.00 0.00 55.95 56.87 1ofs s SER 3 Cb -0.13 -0.61 0.01 0.00 0.21 0.00 0.00 66.02 65.50 1ofs s SER 3 CO -0.12 0.23 -0.12 -0.31 0.41 0.00 0.00 173.24 173.33 1ofs s TYR 4 N -1.00 1.34 0.05 2.43 1.51 -1.26 -5.14 117.35 115.27 1ofs s TYR 4 Ca 0.16 -0.45 0.06 0.00 -1.01 0.00 0.00 57.07 55.83 1ofs s TYR 4 Cb -0.11 -0.98 -0.03 0.00 -0.11 0.00 0.00 41.96 40.74 1ofs s TYR 4 CO 0.07 -0.22 -0.17 0.95 -1.11 0.00 0.00 175.55 175.07 1ofs s THR 5 N 0.53 1.32 -0.08 -0.71 -4.23 -1.26 -5.14 115.64 106.07 1ofs s THR 5 Ca -0.11 -1.16 -0.10 0.00 -1.18 0.00 0.00 61.69 59.13 1ofs s THR 5 Cb -0.14 -1.20 0.02 0.00 1.34 0.00 0.00 72.50 72.53 1ofs s THR 5 CO 0.03 0.01 0.27 -0.22 -0.54 0.00 0.00 174.62 174.17 1ofs s LEU 6 N -1.34 0.97 0.01 4.79 2.96 -1.26 -5.17 118.68 119.65 1ofs s LEU 6 Ca 0.03 0.41 -0.14 0.00 -0.22 0.00 0.00 54.13 54.21 1ofs s LEU 6 Cb -0.09 0.99 0.02 0.00 0.50 0.00 0.00 46.19 47.61 1ofs s LEU 6 CO 0.02 -0.18 0.30 -0.94 -1.32 0.00 0.00 176.35 174.22 1ofs s SER 7 N -0.25 -0.14 0.09 3.68 1.04 -1.26 -5.17 113.70 111.69 1ofs s SER 7 Ca -0.04 -0.07 -0.26 0.00 0.48 0.00 0.00 55.95 56.06 1ofs s SER 7 Cb -0.03 0.33 0.08 0.00 0.10 0.00 0.00 66.02 66.50 1ofs s SER 7 CO 0.01 -0.52 0.78 -0.62 0.98 0.00 0.00 173.24 173.87 1ofs s ASP 8 N -1.70 -0.41 -0.12 7.02 -1.08 -1.26 -5.14 116.67 113.99 1ofs s ASP 8 Ca -0.09 -0.08 -0.21 0.00 -0.52 0.00 0.00 52.55 51.64 1ofs s ASP 8 Cb -0.03 0.50 -0.04 0.00 -1.46 0.00 0.00 42.92 41.89 1ofs s ASP 8 CO 0.00 -0.82 0.61 -0.69 0.52 0.00 0.00 175.17 174.79 1ofs s VAL 9 N -3.42 5.09 -0.12 1.11 1.01 -1.26 -5.04 120.40 117.77 1ofs s VAL 9 Ca 0.05 1.23 -0.03 0.00 0.00 0.00 0.00 61.98 63.22 1ofs s VAL 9 Cb -0.01 -3.95 0.05 0.00 0.00 0.00 0.00 36.38 32.47 1ofs s VAL 9 CO -0.08 0.24 0.07 -0.69 0.00 0.00 0.00 175.10 174.63 1ofs s VAL 10 N 1.02 -0.00 -1.13 2.92 1.01 -1.26 -5.07 120.40 117.89 1ofs s VAL 10 Ca 0.32 0.04 -0.21 0.00 0.00 0.00 0.00 61.98 62.13 1ofs s VAL 10 Cb -0.16 -0.45 0.03 0.00 0.00 0.00 0.00 36.38 35.80 1ofs s VAL 10 CO 0.14 -0.06 1.66 -0.55 0.00 0.00 0.00 175.10 176.29 1ofs s SER 11 N 2.11 6.34 0.28 3.32 0.15 -1.26 -4.81 113.70 119.84 1ofs s SER 11 Ca 0.03 -1.78 0.03 0.00 0.70 0.00 0.00 55.95 54.93 1ofs s SER 11 Cb -0.14 -2.57 0.64 0.00 -1.71 0.00 0.00 66.02 62.23 1ofs s SER 11 CO -0.06 -1.66 1.78 -0.07 1.20 0.00 0.00 173.24 174.42 1ofs h LEU 12 N 13.73 0.70 -2.16 3.45 3.38 -1.97 -0.67 115.31 131.77 1ofs h LEU 12 Ca 0.29 0.09 0.07 0.00 0.09 0.00 0.00 57.88 58.42 1ofs h LEU 12 Cb 0.95 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.66 1ofs h LEU 12 CO 1.40 0.28 0.25 0.50 0.09 0.00 0.00 178.44 180.95 1ofs h LYS 13 N 0.73 0.00 -0.18 1.13 3.64 -1.87 -0.89 116.57 119.13 1ofs h LYS 13 Ca 0.53 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.91 1ofs h LYS 13 Cb 0.76 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.58 1ofs h LYS 13 CO -0.36 0.00 0.00 -0.25 -2.27 0.00 0.00 179.45 176.57 1ofs n ASP 14 N -3.86 3.11 -0.01 4.20 8.00 -0.27 -4.66 116.55 123.07 1ofs n ASP 14 Ca 0.03 -1.96 -0.02 0.00 0.71 0.00 0.00 54.79 53.55 1ofs n ASP 14 Cb 0.39 -0.11 -0.01 0.00 -0.02 0.00 0.00 41.12 41.38 1ofs n ASP 14 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 1ofs n VAL 15 N 1.34 0.17 -3.99 2.53 0.31 -0.43 -5.09 118.33 113.18 1ofs n VAL 15 Ca 0.16 0.00 -0.21 0.00 -0.01 0.00 0.00 64.34 64.27 1ofs n VAL 15 Cb 0.58 -1.53 -0.03 0.00 -0.91 0.00 0.00 33.84 31.94 1ofs n VAL 15 CO 0.00 0.00 0.00 0.68 -1.32 0.00 0.00 176.83 176.19 1ofs s VAL 16 N -2.03 4.65 0.95 2.52 -7.23 -0.64 -5.11 120.40 113.51 1ofs s VAL 16 Ca -0.03 -1.21 -0.12 0.00 -1.81 0.00 0.00 61.98 58.81 1ofs s VAL 16 Cb 0.01 -3.56 0.16 0.00 0.56 0.00 0.00 36.38 33.55 1ofs s VAL 16 CO 0.03 -0.31 1.09 -2.84 -0.31 0.00 0.00 175.10 172.76 1ofs s PRO 17 N -3.93 0.86 0.29 4.82 0.02 -1.26 -4.73 135.00 131.07 1ofs s PRO 17 Ca 0.35 0.68 0.02 0.00 0.02 0.00 0.00 61.00 62.07 1ofs s PRO 17 Cb -0.08 -1.77 0.57 0.00 0.02 0.00 0.00 34.50 33.24 1ofs s PRO 17 CO 0.27 -2.48 1.85 0.93 -0.33 0.00 0.00 177.00 177.24 1ofs h GLU 18 N -1.72 0.95 -6.25 5.54 5.08 -1.96 -3.39 114.58 112.83 1ofs h GLU 18 Ca -0.52 -0.06 -0.68 0.00 -1.00 0.00 0.00 59.36 57.10 1ofs h GLU 18 Cb 1.30 -0.21 -0.20 0.00 0.50 0.00 0.00 28.75 30.14 1ofs h GLU 18 CO 0.56 0.63 -0.72 -1.58 -1.00 0.00 0.00 179.01 176.89 1ofs s TRP 19 N -5.93 2.84 0.22 4.33 0.52 -1.26 -5.13 118.94 114.54 1ofs s TRP 19 Ca -0.12 -0.05 -0.02 0.00 0.02 0.00 0.00 56.10 55.93 1ofs s TRP 19 Cb 0.22 -1.65 -0.03 0.00 -1.15 0.00 0.00 33.47 30.86 1ofs s TRP 19 CO 0.81 0.30 0.21 0.14 0.02 0.00 0.00 176.95 178.42 1ofs s VAL 20 N -0.84 0.00 0.04 4.03 -7.23 -1.26 -5.12 120.40 110.02 1ofs s VAL 20 Ca 0.13 -1.90 0.09 0.00 -1.81 0.00 0.00 61.98 58.49 1ofs s VAL 20 Cb -0.11 -2.46 -0.03 0.00 0.56 0.00 0.00 36.38 34.34 1ofs s VAL 20 CO 0.03 0.00 -0.26 -0.13 -0.31 0.00 0.00 175.10 174.43 1ofs s ARG 21 N -4.05 1.80 0.18 4.82 0.52 -1.26 -5.14 118.95 115.82 1ofs s ARG 21 Ca 0.36 -1.08 0.08 0.00 -0.52 0.00 0.00 55.73 54.57 1ofs s ARG 21 Cb 0.05 -1.95 -0.04 0.00 0.52 0.00 0.00 34.95 33.53 1ofs s ARG 21 CO 0.13 0.51 -0.02 0.96 0.02 0.00 0.00 175.30 176.89 1ofs s ILE 22 N -0.79 3.57 0.00 1.52 -4.36 -1.26 -5.11 121.20 114.77 1ofs s ILE 22 Ca 0.11 -1.52 -0.06 0.00 -0.26 0.00 0.00 60.65 58.92 1ofs s ILE 22 Cb -0.10 -2.80 0.02 0.00 1.25 0.00 0.00 42.46 40.83 1ofs s ILE 22 CO 0.02 -0.13 0.26 0.61 0.24 0.00 0.00 174.94 175.94 1ofs n GLY 23 N -0.15 0.66 3.37 6.27 0.00 -1.26 -5.16 105.19 108.92 1ofs n GLY 23 Ca -0.10 -0.89 -0.29 0.00 0.00 0.00 0.00 46.02 44.74 1ofs n GLY 23 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1ofs s PHE 24 N -3.28 2.27 0.06 1.61 0.08 -1.26 -5.15 117.98 112.31 1ofs s PHE 24 Ca 0.06 -0.39 0.01 0.00 0.12 0.00 0.00 56.93 56.73 1ofs s PHE 24 Cb -0.00 -1.26 -0.03 0.00 -0.57 0.00 0.00 43.02 41.15 1ofs s PHE 24 CO 0.00 0.28 -0.06 -1.54 -0.10 0.00 0.00 175.22 173.80 1ofs s SER 25 N -1.85 0.86 -0.24 1.36 1.04 -1.26 -5.16 113.70 108.46 1ofs s SER 25 Ca 0.13 -0.80 -0.20 0.00 0.48 0.00 0.00 55.95 55.56 1ofs s SER 25 Cb -0.10 0.09 0.06 0.00 0.10 0.00 0.00 66.02 66.17 1ofs s SER 25 CO 0.05 -0.38 0.62 0.00 0.98 0.00 0.00 173.24 174.51 1ofs s ALA 26 N -2.67 -1.56 0.15 5.32 0.00 -1.26 -5.14 121.76 116.59 1ofs s ALA 26 Ca 0.01 1.85 -0.00 0.00 0.00 0.00 0.00 51.96 53.81 1ofs s ALA 26 Cb -0.01 -1.08 -0.04 0.00 0.00 0.00 0.00 23.12 21.99 1ofs s ALA 26 CO -0.03 -0.31 0.05 0.95 0.00 0.00 0.00 175.76 176.42 1ofs s THR 27 N 0.61 0.23 0.18 0.00 -4.23 -1.26 -5.10 115.64 106.08 1ofs s THR 27 Ca -0.02 -1.94 0.01 0.00 -1.18 0.00 0.00 61.69 58.56 1ofs s THR 27 Cb -0.05 -2.12 -0.04 0.00 1.34 0.00 0.00 72.50 71.63 1ofs s THR 27 CO -0.03 -0.41 0.05 0.42 -0.54 0.00 0.00 174.62 174.10 1ofs s THR 28 N -3.96 0.44 0.00 3.99 -4.23 -1.26 -4.89 115.64 105.72 1ofs s THR 28 Ca 0.26 -1.97 0.00 0.00 -1.18 0.00 0.00 61.69 58.80 1ofs s THR 28 Cb 0.07 -2.24 0.00 0.00 1.34 0.00 0.00 72.50 71.67 1ofs s THR 28 CO 0.03 -0.33 0.00 0.61 -0.54 0.00 0.00 174.62 174.40 1ofs n GLY 29 N -0.25 4.45 0.22 3.99 0.00 -1.26 -4.97 105.19 107.36 1ofs n GLY 29 Ca -0.04 -0.59 0.10 0.00 0.00 0.00 0.00 46.02 45.50 1ofs n GLY 29 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ofs h ALA 30 N 1.00 0.96 -2.85 4.61 0.00 -2.07 -3.43 119.26 117.49 1ofs h ALA 30 Ca 0.00 -0.18 -0.61 0.00 0.00 0.00 0.00 54.91 54.12 1ofs h ALA 30 Cb 0.00 -0.03 -0.13 0.00 0.00 0.00 0.00 17.79 17.63 1ofs h ALA 30 CO 0.00 0.25 -0.69 -1.21 0.00 0.00 0.00 179.25 177.60 1ofs s GLU 31 N -3.49 2.19 0.37 0.00 2.02 -1.26 -5.14 118.70 113.39 1ofs s GLU 31 Ca 0.02 -1.24 -0.03 0.00 0.02 0.00 0.00 54.97 53.74 1ofs s GLU 31 Cb 0.09 -2.22 0.01 0.00 0.10 0.00 0.00 34.13 32.11 1ofs s GLU 31 CO 0.64 0.43 0.53 2.48 0.02 0.00 0.00 175.26 179.36 1ofs n TYR 32 N -0.14 -1.56 -3.63 1.61 0.18 -1.26 -4.72 117.16 107.64 1ofs n TYR 32 Ca -0.10 -2.41 -0.03 0.00 1.88 0.00 0.00 57.90 57.25 1ofs n TYR 32 Cb 0.56 0.60 -0.02 0.00 -0.38 0.00 0.00 39.34 40.10 1ofs n TYR 32 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 1ofs s ALA 33 N -2.78 -2.18 0.07 -3.48 0.00 -1.26 -5.08 121.76 107.06 1ofs s ALA 33 Ca 0.29 1.82 -0.19 0.00 0.00 0.00 0.00 51.96 53.89 1ofs s ALA 33 Cb -0.01 -0.32 -0.07 0.00 0.00 0.00 0.00 23.12 22.72 1ofs s ALA 33 CO 0.21 -0.57 0.55 0.00 0.00 0.00 0.00 175.76 175.95 1ofs s ALA 34 N -2.13 3.60 -0.12 0.00 0.00 -1.26 -4.92 121.76 116.93 1ofs s ALA 34 Ca 0.11 0.00 0.02 0.00 0.00 0.00 0.00 51.96 52.09 1ofs s ALA 34 Cb -0.01 -2.60 0.02 0.00 0.00 0.00 0.00 23.12 20.52 1ofs s ALA 34 CO -0.03 0.41 -0.16 -1.01 0.00 0.00 0.00 175.76 174.98 1ofs s HIS 35 N -1.12 2.06 0.06 0.00 3.76 -1.26 -5.13 115.29 113.66 1ofs s HIS 35 Ca 0.29 -1.01 0.01 0.00 -0.15 0.00 0.00 55.06 54.20 1ofs s HIS 35 Cb -0.19 -1.48 -0.03 0.00 1.11 0.00 0.00 32.58 31.98 1ofs s HIS 35 CO 0.18 -0.52 -0.06 -1.21 -0.85 0.00 0.00 174.74 172.29 1ofs s GLU 36 N 1.05 0.61 -0.07 1.40 2.02 -1.26 -5.07 118.70 117.38 1ofs s GLU 36 Ca -0.05 -1.02 0.05 0.00 0.02 0.00 0.00 54.97 53.97 1ofs s GLU 36 Cb -0.15 -0.09 -0.01 0.00 0.10 0.00 0.00 34.13 33.99 1ofs s GLU 36 CO -0.03 -0.02 -0.24 0.08 0.02 0.00 0.00 175.26 175.07 1ofs s VAL 37 N -2.68 1.98 -0.17 2.63 1.01 -1.26 -5.04 120.40 116.89 1ofs s VAL 37 Ca -0.00 -1.01 0.19 0.00 0.00 0.00 0.00 61.98 61.15 1ofs s VAL 37 Cb -0.01 -1.69 -0.27 0.00 0.00 0.00 0.00 36.38 34.41 1ofs s VAL 37 CO -0.04 0.55 0.16 0.18 0.00 0.00 0.00 175.10 175.95 1ofs n LEU 38 N 3.12 0.01 -3.46 3.92 4.77 -1.26 -5.04 117.00 119.07 1ofs n LEU 38 Ca -0.18 0.01 -0.13 0.00 -0.03 0.00 0.00 56.01 55.68 1ofs n LEU 38 Cb 0.52 0.40 -0.03 0.00 -2.33 0.00 0.00 43.42 41.98 1ofs n LEU 38 CO 0.26 0.40 0.45 -0.94 -1.33 0.00 0.00 177.39 176.23 1ofs s SER 39 N -5.31 -0.57 -0.22 -1.43 1.04 -1.26 -5.18 113.70 100.77 1ofs s SER 39 Ca -0.10 0.18 -0.17 0.00 0.48 0.00 0.00 55.95 56.34 1ofs s SER 39 Cb 0.08 0.56 0.06 0.00 0.10 0.00 0.00 66.02 66.81 1ofs s SER 39 CO 0.85 -0.84 0.57 0.86 0.98 0.00 0.00 173.24 175.66 1ofs s TRP 40 N -3.02 -0.73 0.03 5.02 -0.00 -1.26 -5.16 118.94 113.82 1ofs s TRP 40 Ca -0.01 1.64 -0.00 0.00 -0.00 0.00 0.00 56.10 57.72 1ofs s TRP 40 Cb -0.01 0.32 -0.03 0.00 -0.00 0.00 0.00 33.47 33.75 1ofs s TRP 40 CO -0.07 -0.36 -0.03 -1.54 -0.00 0.00 0.00 176.95 174.95 1ofs s SER 41 N 0.80 0.36 -0.11 5.86 1.04 -1.26 -5.17 113.70 115.22 1ofs s SER 41 Ca -0.04 -0.70 -0.19 0.00 0.48 0.00 0.00 55.95 55.50 1ofs s SER 41 Cb -0.05 0.14 0.04 0.00 0.10 0.00 0.00 66.02 66.25 1ofs s SER 41 CO -0.06 -0.42 0.47 0.12 0.98 0.00 0.00 173.24 174.32 1ofs s PHE 42 N -2.45 -0.45 -0.14 5.02 5.36 -1.26 -5.16 117.98 118.90 1ofs s PHE 42 Ca -0.07 0.96 -0.08 0.00 -0.96 0.00 0.00 56.93 56.79 1ofs s PHE 42 Cb -0.03 0.20 0.05 0.00 -0.34 0.00 0.00 43.02 42.90 1ofs s PHE 42 CO -0.05 -0.36 0.35 -1.58 -1.46 0.00 0.00 175.22 172.12 1ofs s HIS 43 N -0.46 -0.50 0.05 10.12 5.65 -1.26 -5.16 115.29 123.73 1ofs s HIS 43 Ca -0.06 1.09 0.04 0.00 0.25 0.00 0.00 55.06 56.38 1ofs s HIS 43 Cb -0.03 0.18 -0.02 0.00 -1.18 0.00 0.00 32.58 31.52 1ofs s HIS 43 CO 0.03 -0.30 -0.11 -1.54 -0.65 0.00 0.00 174.74 172.17 1ofs s SER 44 N 1.34 1.26 -0.03 9.88 1.04 -1.26 -5.14 113.70 120.79 1ofs s SER 44 Ca -0.09 -0.53 -0.01 0.00 0.48 0.00 0.00 55.95 55.80 1ofs s SER 44 Cb -0.09 -0.02 0.03 0.00 0.10 0.00 0.00 66.02 66.03 1ofs s SER 44 CO -0.11 -0.10 0.04 -0.70 0.98 0.00 0.00 173.24 173.35 1ofs s GLU 45 N -1.47 -0.01 -0.23 4.02 2.12 -1.26 -5.12 118.70 116.75 1ofs s GLU 45 Ca -0.04 0.28 -0.01 0.00 0.36 0.00 0.00 54.97 55.55 1ofs s GLU 45 Cb -0.09 -0.43 0.02 0.00 0.26 0.00 0.00 34.13 33.89 1ofs s GLU 45 CO 0.01 -0.26 -0.09 -1.17 -0.54 0.00 0.00 175.26 173.22 1ofs s LEU 46 N 1.68 2.92 -0.26 2.70 2.96 -1.26 -5.09 118.68 122.33 1ofs s LEU 46 Ca -0.01 -0.75 -0.03 0.00 -0.22 0.00 0.00 54.13 53.12 1ofs s LEU 46 Cb -0.12 -1.64 0.02 0.00 0.50 0.00 0.00 46.19 44.95 1ofs s LEU 46 CO -0.03 -0.08 -0.03 -0.44 -1.32 0.00 0.00 176.35 174.45 1ofs s SER 47 N 1.34 4.51 0.00 3.68 0.01 -1.26 -5.38 113.70 116.61 1ofs s SER 47 Ca 0.02 -0.80 0.07 0.00 1.31 0.00 0.00 55.95 56.55 1ofs s SER 47 Cb -0.16 -1.72 0.06 0.00 0.21 0.00 0.00 66.02 64.41 1ofs s SER 47 CO -0.06 -0.14 0.73 0.61 0.41 0.00 0.00 173.24 174.80