#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bbx n SER 2 N 0.00 0.12 -3.69 1.61 3.41 -1.26 -5.10 113.62 108.71 2bbx n SER 2 Ca 0.00 -0.99 -0.13 0.00 -0.26 0.00 0.00 58.87 57.49 2bbx n SER 2 Cb 0.00 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 63.88 2bbx n SER 2 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2bbx s ALA 3 N -0.00 -0.95 0.55 7.33 0.00 -1.26 -5.17 121.76 122.26 2bbx s ALA 3 Ca 0.00 0.32 -0.20 0.00 0.00 0.00 0.00 51.96 52.08 2bbx s ALA 3 Cb 0.00 0.26 -0.05 0.00 0.00 0.00 0.00 23.12 23.33 2bbx s ALA 3 CO 0.00 -0.40 1.17 -1.12 0.00 0.00 0.00 175.76 175.41 2bbx s SER 4 N -1.81 5.58 0.00 0.00 0.01 -1.26 -4.99 113.70 111.23 2bbx s SER 4 Ca -0.07 2.30 0.01 0.00 1.31 0.00 0.00 55.95 59.50 2bbx s SER 4 Cb -0.02 -2.59 0.02 0.00 0.21 0.00 0.00 66.02 63.64 2bbx s SER 4 CO -0.00 -1.32 0.89 0.00 0.41 0.00 0.00 173.24 173.21 2bbx n GLY 6 N 0.02 -0.06 3.18 0.00 0.00 -1.26 -1.17 105.19 105.90 2bbx n GLY 6 Ca -0.00 -2.28 -0.11 0.00 0.00 0.00 0.00 46.02 43.63 2bbx n GLY 6 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2bbx s VAL 7 N -0.17 0.61 0.82 1.61 -7.23 -1.26 -5.05 120.40 109.73 2bbx s VAL 7 Ca 0.00 -1.93 -0.12 0.00 -1.81 0.00 0.00 61.98 58.12 2bbx s VAL 7 Cb 0.00 -1.79 0.09 0.00 0.56 0.00 0.00 36.38 35.23 2bbx s VAL 7 CO 0.00 -0.77 1.11 0.26 -0.31 0.00 0.00 175.10 175.40 2bbx s TRP 8 N -3.68 2.79 0.00 2.82 0.52 -1.26 -4.57 118.94 115.56 2bbx s TRP 8 Ca 0.15 1.02 0.00 0.00 0.02 0.00 0.00 56.10 57.29 2bbx s TRP 8 Cb 0.06 -3.22 0.00 0.00 -1.15 0.00 0.00 33.47 29.15 2bbx s TRP 8 CO -0.03 -1.89 0.00 -3.47 0.02 0.00 0.00 176.95 171.58 2bbx n ASP 9 N -3.48 0.09 -4.76 2.95 2.03 -1.22 -5.04 116.55 107.11 2bbx n ASP 9 Ca 0.07 -0.79 -0.37 0.00 0.52 0.00 0.00 54.79 54.22 2bbx n ASP 9 Cb 0.58 0.00 0.02 0.00 -0.72 0.00 0.00 41.12 41.00 2bbx n ASP 9 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 2bbx s GLU 10 N -0.95 3.25 0.84 -0.67 2.02 -1.26 -4.94 118.70 116.99 2bbx s GLU 10 Ca 0.00 1.94 -0.11 0.00 0.02 0.00 0.00 54.97 56.82 2bbx s GLU 10 Cb 0.00 -2.17 0.10 0.00 0.10 0.00 0.00 34.13 32.16 2bbx s GLU 10 CO 0.00 -1.01 1.09 -1.58 0.02 0.00 0.00 175.26 173.78 2bbx s TRP 11 N -1.48 2.55 0.29 1.61 0.52 -1.26 -4.75 118.94 116.42 2bbx s TRP 11 Ca 0.72 1.27 0.06 0.00 0.02 0.00 0.00 56.10 58.16 2bbx s TRP 11 Cb -0.33 -3.12 -0.02 0.00 -1.15 0.00 0.00 33.47 28.85 2bbx s TRP 11 CO 0.38 -2.07 0.41 -1.12 0.02 0.00 0.00 176.95 174.57 2bbx s SER 12 N -3.59 6.05 0.72 2.95 0.01 -0.65 -5.02 113.70 114.17 2bbx s SER 12 Ca 0.62 -0.11 -0.14 0.00 1.31 0.00 0.00 55.95 57.63 2bbx s SER 12 Cb -0.17 -1.47 0.03 0.00 0.21 0.00 0.00 66.02 64.63 2bbx s SER 12 CO 0.56 -0.27 1.13 -2.16 0.41 0.00 0.00 173.24 172.91 2bbx s PRO 13 N -4.08 2.39 0.66 12.44 0.04 -1.26 -4.49 135.00 140.70 2bbx s PRO 13 Ca 0.40 1.46 -0.15 0.00 0.04 0.00 0.00 61.00 62.75 2bbx s PRO 13 Cb -0.09 -1.89 -0.00 0.00 0.04 0.00 0.00 34.50 32.55 2bbx s PRO 13 CO 0.30 -1.58 1.10 0.00 0.04 0.00 0.00 177.00 176.86 2bbx n SER 15 N -2.43 0.37 -3.51 0.00 3.41 -0.10 -4.77 113.62 106.60 2bbx n SER 15 Ca 0.10 0.64 -0.18 0.00 -0.26 0.00 0.00 58.87 59.17 2bbx n SER 15 Cb 0.52 -0.70 -0.08 0.00 -0.26 0.00 0.00 64.21 63.69 2bbx n SER 15 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 2bbx s VAL 16 N -3.28 0.00 -0.60 -3.33 -7.23 -1.26 -4.98 120.40 99.72 2bbx s VAL 16 Ca 0.01 -1.97 0.06 0.00 -1.81 0.00 0.00 61.98 58.28 2bbx s VAL 16 Cb 0.06 -2.51 0.12 0.00 0.56 0.00 0.00 36.38 34.61 2bbx s VAL 16 CO 0.22 0.00 0.96 0.35 -0.31 0.00 0.00 175.10 176.32 2bbx n THR 17 N -0.55 0.61 0.10 5.32 -2.24 -1.26 -4.68 114.28 111.57 2bbx n THR 17 Ca 0.06 -0.81 0.02 0.00 -2.27 0.00 0.00 64.05 61.05 2bbx n THR 17 Cb 0.63 0.74 0.03 0.00 -2.10 0.00 0.00 70.33 69.63 2bbx n THR 17 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2bbx n GLY 19 N 0.12 0.50 2.61 0.00 0.00 -1.26 -4.66 105.19 102.50 2bbx n GLY 19 Ca 0.03 -0.82 -0.07 0.00 0.00 0.00 0.00 46.02 45.15 2bbx n GLY 19 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2bbx n LYS 20 N -1.10 2.22 0.00 1.61 2.85 -1.26 -4.68 118.16 117.80 2bbx n LYS 20 Ca 0.00 -3.69 0.00 0.00 -1.05 0.00 0.00 58.31 53.57 2bbx n LYS 20 Cb 0.43 -1.77 0.00 0.00 -0.65 0.00 0.00 35.03 33.04 2bbx n LYS 20 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2bbx n GLY 21 N -0.59 3.98 3.21 2.58 0.00 -1.26 -4.96 105.19 108.15 2bbx n GLY 21 Ca 0.17 -1.04 -0.13 0.00 0.00 0.00 0.00 46.02 45.02 2bbx n GLY 21 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2bbx s THR 22 N -2.07 1.00 0.17 2.61 -4.23 -1.26 -1.27 115.64 110.59 2bbx s THR 22 Ca 0.00 -1.92 0.02 0.00 -1.18 0.00 0.00 61.69 58.62 2bbx s THR 22 Cb 0.00 -1.68 -0.05 0.00 1.34 0.00 0.00 72.50 72.12 2bbx s THR 22 CO 0.00 -0.72 -0.02 0.00 -0.54 0.00 0.00 174.62 173.34 2bbx s ARG 23 N -3.50 1.13 0.16 3.99 1.70 -0.27 -0.92 118.95 121.23 2bbx s ARG 23 Ca 0.12 -1.54 -0.02 0.00 -0.47 0.00 0.00 55.73 53.82 2bbx s ARG 23 Cb 0.02 -0.38 -0.03 0.00 -0.57 0.00 0.00 34.95 33.99 2bbx s ARG 23 CO -0.01 -0.09 0.13 -1.54 -1.08 0.00 0.00 175.30 172.71 2bbx s SER 24 N -3.19 0.21 0.16 -2.89 1.04 -1.26 -1.40 113.70 106.37 2bbx s SER 24 Ca 0.23 -1.21 -0.17 0.00 0.48 0.00 0.00 55.95 55.28 2bbx s SER 24 Cb 0.05 0.35 0.03 0.00 0.10 0.00 0.00 66.02 66.56 2bbx s SER 24 CO 0.04 -0.80 0.47 0.00 0.98 0.00 0.00 173.24 173.92 2bbx s ARG 25 N -4.07 1.24 0.28 4.02 1.70 -0.85 -1.64 118.95 119.63 2bbx s ARG 25 Ca 0.28 -0.80 0.07 0.00 -0.47 0.00 0.00 55.73 54.81 2bbx s ARG 25 Cb 0.06 0.50 -0.06 0.00 -0.57 0.00 0.00 34.95 34.88 2bbx s ARG 25 CO 0.05 -0.51 -0.07 0.15 -1.08 0.00 0.00 175.30 173.84 2bbx s LYS 26 N -3.85 1.56 0.22 3.89 1.02 -1.26 -2.05 119.74 119.28 2bbx s LYS 26 Ca 0.07 -1.79 -0.15 0.00 0.02 0.00 0.00 55.97 54.12 2bbx s LYS 26 Cb 0.00 -1.21 0.01 0.00 -0.52 0.00 0.00 37.83 36.12 2bbx s LYS 26 CO -0.07 0.06 0.51 -0.98 -0.92 0.00 0.00 175.35 173.95 2bbx s ARG 27 N -3.71 1.48 -1.13 1.68 1.70 -0.89 -3.41 118.95 114.68 2bbx s ARG 27 Ca 0.29 -1.07 -0.09 0.00 -0.47 0.00 0.00 55.73 54.40 2bbx s ARG 27 Cb 0.03 0.50 0.27 0.00 -0.57 0.00 0.00 34.95 35.18 2bbx s ARG 27 CO 0.12 -0.62 1.20 0.39 -1.08 0.00 0.00 175.30 175.31 2bbx n GLU 28 N -0.36 3.64 -1.61 3.89 1.02 -1.26 -4.85 120.64 121.10 2bbx n GLU 28 Ca -0.06 -4.40 -0.48 0.00 -0.02 0.00 0.00 57.16 52.21 2bbx n GLU 28 Cb 0.62 -2.60 -0.04 0.00 -0.02 0.00 0.00 31.44 29.40 2bbx n GLU 28 CO 0.00 0.00 0.00 0.44 1.18 0.00 0.00 177.13 178.75 2bbx n ILE 29 N 2.71 0.75 0.24 -3.67 -5.35 -1.26 -4.84 119.36 107.93 2bbx n ILE 29 Ca 0.26 -0.19 0.13 0.00 -0.27 0.00 0.00 62.75 62.68 2bbx n ILE 29 Cb 0.39 -1.07 0.41 0.00 -1.74 0.00 0.00 39.64 37.63 2bbx n ILE 29 CO 0.00 0.00 0.00 -0.07 -1.76 0.00 0.00 176.55 174.72 2bbx h LEU 30 N 3.92 0.00 -8.00 7.28 3.38 -1.54 -3.45 115.31 116.89 2bbx h LEU 30 Ca -0.44 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.38 2bbx h LEU 30 Cb 1.32 0.00 -0.19 0.00 0.09 0.00 0.00 40.66 41.88 2bbx h LEU 30 CO 0.74 0.09 -0.64 -1.00 0.09 0.00 0.00 178.44 177.72 2bbx s HIS 31 N -3.45 0.29 0.34 1.13 3.76 -1.26 -5.07 115.29 111.03 2bbx s HIS 31 Ca 0.03 -0.61 0.31 0.00 -0.15 0.00 0.00 55.06 54.65 2bbx s HIS 31 Cb 0.08 -0.21 1.53 0.00 1.11 0.00 0.00 32.58 35.08 2bbx s HIS 31 CO 0.62 -0.28 2.07 1.49 -0.85 0.00 0.00 174.74 177.79 2bbx h GLU 32 N 4.06 0.00 -1.19 1.40 4.81 -2.00 -3.24 114.58 118.42 2bbx h GLU 32 Ca -0.32 0.00 -0.28 0.00 -0.13 0.00 0.00 59.36 58.63 2bbx h GLU 32 Cb 1.19 0.00 -0.14 0.00 0.63 0.00 0.00 28.75 30.42 2bbx h GLU 32 CO 0.49 0.08 0.35 0.41 -0.73 0.00 0.00 179.01 179.62 2bbx n GLY 33 N -0.47 3.54 3.13 1.92 0.00 -1.26 -4.91 105.19 107.14 2bbx n GLY 33 Ca -0.01 -0.74 -0.14 0.00 0.00 0.00 0.00 46.02 45.13 2bbx n GLY 33 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bbx s THR 35 N -1.79 3.33 0.00 0.00 2.01 -1.26 -4.95 115.64 112.98 2bbx s THR 35 Ca -0.03 1.04 0.00 0.00 0.31 0.00 0.00 61.69 63.02 2bbx s THR 35 Cb -0.07 -3.67 0.00 0.00 0.01 0.00 0.00 72.50 68.77 2bbx s THR 35 CO 0.00 0.13 0.55 -1.54 -0.69 0.00 0.00 174.62 173.08 2bbx n SER 36 N 3.05 1.10 -3.71 3.53 3.41 -1.26 -4.87 113.62 114.87 2bbx n SER 36 Ca 0.07 -1.15 -0.12 0.00 -0.26 0.00 0.00 58.87 57.42 2bbx n SER 36 Cb 0.43 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.28 2bbx n SER 36 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 2bbx s GLU 37 N -0.15 0.47 0.23 4.33 2.12 -1.26 -2.09 118.70 122.35 2bbx s GLU 37 Ca 0.00 0.71 -0.02 0.00 0.36 0.00 0.00 54.97 56.02 2bbx s GLU 37 Cb 0.00 0.12 -0.03 0.00 0.26 0.00 0.00 34.13 34.48 2bbx s GLU 37 CO 0.00 -0.11 0.23 0.96 -0.54 0.00 0.00 175.26 175.80 2bbx s ILE 38 N 0.80 0.00 0.20 -3.70 -5.25 -0.87 -5.03 121.20 107.35 2bbx s ILE 38 Ca -0.05 -1.87 -0.12 0.00 -0.99 0.00 0.00 60.65 57.62 2bbx s ILE 38 Cb -0.05 -2.45 0.00 0.00 2.95 0.00 0.00 42.46 42.90 2bbx s ILE 38 CO -0.06 0.00 0.40 0.00 -1.79 0.00 0.00 174.94 173.49 2bbx s GLN 39 N -4.00 1.34 0.22 0.37 1.03 -1.26 -2.01 119.66 115.34 2bbx s GLN 39 Ca 0.36 -1.13 -0.17 0.00 0.04 0.00 0.00 55.36 54.45 2bbx s GLN 39 Cb 0.05 0.44 0.02 0.00 0.03 0.00 0.00 33.01 33.55 2bbx s GLN 39 CO 0.14 -0.53 0.54 -1.83 -2.54 0.00 0.00 175.29 171.06 2bbx s GLU 40 N -3.96 1.47 0.25 9.60 -1.05 -0.49 -5.00 118.70 119.51 2bbx s GLU 40 Ca 0.17 -0.94 -0.30 0.00 -0.15 0.00 0.00 54.97 53.75 2bbx s GLU 40 Cb 0.01 0.53 -0.09 0.00 -0.44 0.00 0.00 34.13 34.13 2bbx s GLU 40 CO 0.03 -0.63 1.32 -1.14 0.95 0.00 0.00 175.26 175.79 2bbx s GLN 41 N -3.90 4.37 0.64 -4.83 0.74 -1.26 -1.12 119.66 114.30 2bbx s GLN 41 Ca 0.12 2.13 0.02 0.00 0.05 0.00 0.00 55.36 57.68 2bbx s GLN 41 Cb -0.02 -3.15 0.10 0.00 1.10 0.00 0.00 33.01 31.04 2bbx s GLN 41 CO 0.00 -0.24 0.89 0.00 -0.55 0.00 0.00 175.29 175.39 2bbx s GLU 43 N -4.93 0.12 0.08 0.00 -6.30 -1.26 -4.56 118.70 101.85 2bbx s GLU 43 Ca 0.63 0.55 -0.03 0.00 -2.50 0.00 0.00 54.97 53.63 2bbx s GLU 43 Cb -0.06 -0.15 -0.03 0.00 0.00 0.00 0.00 34.13 33.88 2bbx s GLU 43 CO 0.42 -0.23 0.04 -1.21 0.02 0.00 0.00 175.26 174.29 2bbx s GLU 44 N 1.78 0.74 0.05 4.30 0.41 -1.26 -4.87 118.70 119.84 2bbx s GLU 44 Ca -0.04 -1.22 -0.26 0.00 -0.41 0.00 0.00 54.97 53.04 2bbx s GLU 44 Cb -0.11 0.25 -0.14 0.00 -1.78 0.00 0.00 34.13 32.34 2bbx s GLU 44 CO -0.07 -0.18 1.40 1.49 -0.49 0.00 0.00 175.26 177.41 2bbx h GLU 45 N 3.00 -0.83 -2.12 1.61 4.57 -1.90 -3.38 114.58 115.52 2bbx h GLU 45 Ca -0.34 0.06 0.03 0.00 -1.18 0.00 0.00 59.36 57.92 2bbx h GLU 45 Cb 1.17 0.19 -0.18 0.00 -0.16 0.00 0.00 28.75 29.77 2bbx h GLU 45 CO 0.62 -0.56 0.36 -0.98 -1.18 0.00 0.00 179.01 177.28 2bbx s ARG 46 N -5.07 0.91 0.83 1.92 1.70 -1.20 -4.99 118.95 113.06 2bbx s ARG 46 Ca -0.14 -0.03 -0.13 0.00 -0.47 0.00 0.00 55.73 54.97 2bbx s ARG 46 Cb 0.02 0.43 0.09 0.00 -0.57 0.00 0.00 34.95 34.91 2bbx s ARG 46 CO 0.42 -0.34 1.11 0.00 -1.08 0.00 0.00 175.30 175.42 2bbx n PRO 48 N -3.24 0.61 0.00 0.00 -0.02 -1.26 -5.00 135.00 126.09 2bbx n PRO 48 Ca 0.13 0.25 0.06 0.00 -2.02 0.00 0.00 63.50 61.92 2bbx n PRO 48 Cb 0.51 -1.97 0.36 0.00 -0.02 0.00 0.00 33.50 32.37 2bbx n PRO 48 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13