#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bbx s SER 2 N 0.00 -0.13 0.19 1.61 1.04 -1.26 -5.20 113.70 109.95 2bbx s SER 2 Ca 0.00 -0.85 -0.08 0.00 0.48 0.00 0.00 55.95 55.50 2bbx s SER 2 Cb 0.00 0.61 -0.01 0.00 0.10 0.00 0.00 66.02 66.72 2bbx s SER 2 CO 0.00 -1.18 0.30 0.00 0.98 0.00 0.00 173.24 173.34 2bbx s ALA 3 N -3.99 0.19 0.05 5.32 0.00 -1.26 -5.19 121.76 116.87 2bbx s ALA 3 Ca 0.20 -1.05 -0.18 0.00 0.00 0.00 0.00 51.96 50.92 2bbx s ALA 3 Cb -0.02 1.01 0.04 0.00 0.00 0.00 0.00 23.12 24.15 2bbx s ALA 3 CO 0.08 -0.68 0.42 0.45 0.00 0.00 0.00 175.76 176.03 2bbx s SER 4 N -3.02 -0.30 0.55 0.00 0.15 -1.26 -5.05 113.70 104.78 2bbx s SER 4 Ca 0.23 0.00 0.34 0.00 0.70 0.00 0.00 55.95 57.22 2bbx s SER 4 Cb 0.03 0.43 1.42 0.00 -1.71 0.00 0.00 66.02 66.19 2bbx s SER 4 CO 0.04 -0.68 2.00 0.00 1.20 0.00 0.00 173.24 175.81 2bbx n GLY 6 N -0.02 -0.06 3.30 0.00 0.00 -1.26 -1.09 105.19 106.05 2bbx n GLY 6 Ca 0.00 -2.20 -0.16 0.00 0.00 0.00 0.00 46.02 43.66 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 0.00 1.21 0.87 1.61 -7.23 -1.26 -5.06 120.40 110.54 2bbx s VAL 7 Ca 0.00 -2.07 -0.13 0.00 -1.81 0.00 0.00 61.98 57.96 2bbx s VAL 7 Cb 0.00 -2.07 0.12 0.00 0.56 0.00 0.00 36.38 34.99 2bbx s VAL 7 CO 0.00 -0.56 1.22 0.26 -0.31 0.00 0.00 175.10 175.71 2bbx s TRP 8 N -3.30 2.47 0.00 2.82 0.52 -1.26 -4.66 118.94 115.53 2bbx s TRP 8 Ca 0.22 0.61 0.00 0.00 0.02 0.00 0.00 56.10 56.95 2bbx s TRP 8 Cb 0.03 -3.69 0.00 0.00 -1.15 0.00 0.00 33.47 28.66 2bbx s TRP 8 CO 0.05 -2.11 0.00 -3.47 0.02 0.00 0.00 176.95 171.44 2bbx n ASP 9 N -3.50 0.52 -4.73 2.95 2.03 -1.24 -5.04 116.55 107.54 2bbx n ASP 9 Ca 0.10 -0.77 -0.33 0.00 0.52 0.00 0.00 54.79 54.32 2bbx n ASP 9 Cb 0.60 0.00 0.10 0.00 -0.72 0.00 0.00 41.12 41.10 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 -0.96 2.06 0.69 -0.67 0.41 -1.26 -4.93 118.70 114.05 2bbx s GLU 10 Ca 0.00 1.52 -0.11 0.00 -0.41 0.00 0.00 54.97 55.97 2bbx s GLU 10 Cb 0.00 -1.85 0.01 0.00 -1.78 0.00 0.00 34.13 30.51 2bbx s GLU 10 CO 0.00 -1.85 1.08 -1.58 -0.49 0.00 0.00 175.26 172.42 2bbx s TRP 11 N -2.38 3.35 0.32 1.61 0.52 -1.26 -4.67 118.94 116.43 2bbx s TRP 11 Ca 0.69 1.13 0.07 0.00 0.02 0.00 0.00 56.10 58.01 2bbx s TRP 11 Cb -0.24 -2.98 -0.03 0.00 -1.15 0.00 0.00 33.47 29.08 2bbx s TRP 11 CO 0.49 -1.11 0.31 -1.12 0.02 0.00 0.00 176.95 175.54 2bbx s SER 12 N -4.26 5.47 0.78 2.95 0.01 -0.29 -5.01 113.70 113.35 2bbx s SER 12 Ca 0.58 -0.39 -0.12 0.00 1.31 0.00 0.00 55.95 57.33 2bbx s SER 12 Cb -0.11 -1.11 0.07 0.00 0.21 0.00 0.00 66.02 65.07 2bbx s SER 12 CO 0.53 -0.31 1.12 -2.16 0.41 0.00 0.00 173.24 172.83 2bbx s PRO 13 N -4.00 2.04 0.79 12.44 0.04 -1.26 -4.36 135.00 140.69 2bbx s PRO 13 Ca 0.40 1.39 -0.11 0.00 0.04 0.00 0.00 61.00 62.72 2bbx s PRO 13 Cb -0.07 -1.86 0.06 0.00 0.04 0.00 0.00 34.50 32.68 2bbx s PRO 13 CO 0.27 -1.84 1.09 0.00 0.04 0.00 0.00 177.00 176.56 2bbx n SER 15 N -3.57 0.19 -4.16 0.00 3.41 0.38 -4.73 113.62 105.14 2bbx n SER 15 Ca 0.09 0.57 -0.15 0.00 -0.26 0.00 0.00 58.87 59.12 2bbx n SER 15 Cb 0.53 -0.60 -0.10 0.00 -0.26 0.00 0.00 64.21 63.78 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 -3.15 0.25 0.00 -3.33 -7.23 -1.26 -4.99 120.40 100.68 2bbx s VAL 16 Ca 0.02 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.19 2bbx s VAL 16 Cb 0.05 -2.55 0.00 0.00 0.56 0.00 0.00 36.38 34.44 2bbx s VAL 16 CO 0.15 0.00 0.69 0.35 -0.31 0.00 0.00 175.10 175.97 2bbx n THR 17 N -0.41 0.43 -0.99 5.32 -2.24 -1.26 -4.84 114.28 110.29 2bbx n THR 17 Ca 0.01 -0.45 0.00 0.00 -2.27 0.00 0.00 64.05 61.34 2bbx n THR 17 Cb 0.66 0.84 0.00 0.00 -2.10 0.00 0.00 70.33 69.73 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 0.00 2.10 3.78 0.00 0.00 -1.24 -4.36 105.19 105.47 2bbx n GLY 19 Ca 0.00 -0.71 -0.35 0.00 0.00 0.00 0.00 46.02 44.95 2bbx n GLY 19 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2bbx s LYS 20 N 0.79 3.63 0.00 1.61 1.02 -1.26 -2.12 119.74 123.41 2bbx s LYS 20 Ca 0.00 1.57 0.00 0.00 0.02 0.00 0.00 55.97 57.56 2bbx s LYS 20 Cb 0.00 -2.16 0.00 0.00 -0.52 0.00 0.00 37.83 35.15 2bbx s LYS 20 CO 0.00 -0.61 0.00 0.41 -0.92 0.00 0.00 175.35 174.23 2bbx n GLY 21 N 0.13 1.54 3.06 -3.33 0.00 -1.20 -4.90 105.19 100.49 2bbx n GLY 21 Ca 0.09 -0.23 -0.14 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.61 0.57 0.38 2.61 -4.23 -1.26 -0.90 115.64 112.20 2bbx s THR 22 Ca 0.00 -1.03 0.06 0.00 -1.18 0.00 0.00 61.69 59.53 2bbx s THR 22 Cb 0.00 -0.62 -0.07 0.00 1.34 0.00 0.00 72.50 73.15 2bbx s THR 22 CO 0.00 -0.34 0.03 0.00 -0.54 0.00 0.00 174.62 173.77 2bbx s ARG 23 N -1.49 1.86 0.18 3.99 1.70 0.02 -0.47 118.95 124.75 2bbx s ARG 23 Ca -0.09 -2.05 -0.07 0.00 -0.47 0.00 0.00 55.73 53.05 2bbx s ARG 23 Cb -0.09 -1.37 -0.02 0.00 -0.57 0.00 0.00 34.95 32.90 2bbx s ARG 23 CO 0.00 -0.11 0.26 -1.54 -1.08 0.00 0.00 175.30 172.83 2bbx s SER 24 N -3.64 0.07 0.19 -2.89 1.04 -1.26 -1.68 113.70 105.53 2bbx s SER 24 Ca 0.35 -1.04 -0.17 0.00 0.48 0.00 0.00 55.95 55.57 2bbx s SER 24 Cb 0.09 0.43 0.03 0.00 0.10 0.00 0.00 66.02 66.68 2bbx s SER 24 CO 0.17 -0.91 0.51 0.00 0.98 0.00 0.00 173.24 173.99 2bbx s ARG 25 N -4.03 1.36 0.16 4.02 1.70 -1.10 -1.13 118.95 119.92 2bbx s ARG 25 Ca 0.24 -0.86 0.03 0.00 -0.47 0.00 0.00 55.73 54.67 2bbx s ARG 25 Cb 0.04 0.52 -0.05 0.00 -0.57 0.00 0.00 34.95 34.89 2bbx s ARG 25 CO 0.05 -0.57 -0.05 0.15 -1.08 0.00 0.00 175.30 173.80 2bbx s LYS 26 N -3.87 1.07 0.11 3.89 1.02 -1.26 -2.36 119.74 118.33 2bbx s LYS 26 Ca 0.09 -1.48 -0.13 0.00 0.02 0.00 0.00 55.97 54.47 2bbx s LYS 26 Cb -0.01 -0.42 0.02 0.00 -0.52 0.00 0.00 37.83 36.91 2bbx s LYS 26 CO -0.03 -0.04 0.31 -0.98 -0.92 0.00 0.00 175.35 173.69 2bbx s ARG 27 N -3.84 0.97 -1.22 1.68 1.70 -1.09 -3.62 118.95 113.55 2bbx s ARG 27 Ca 0.20 -0.81 -0.14 0.00 -0.47 0.00 0.00 55.73 54.51 2bbx s ARG 27 Cb 0.05 0.42 0.17 0.00 -0.57 0.00 0.00 34.95 35.01 2bbx s ARG 27 CO 0.02 -0.35 1.46 0.39 -1.08 0.00 0.00 175.30 175.73 2bbx n GLU 28 N -0.15 3.36 -1.62 3.89 -0.58 -1.26 -4.83 120.64 119.46 2bbx n GLU 28 Ca -0.16 -3.82 -0.49 0.00 -0.42 0.00 0.00 57.16 52.27 2bbx n GLU 28 Cb 0.63 -3.06 -0.05 0.00 -0.57 0.00 0.00 31.44 28.39 2bbx n GLU 28 CO 0.00 0.00 0.00 0.44 -0.48 0.00 0.00 177.13 177.09 2bbx n ILE 29 N 4.66 0.21 0.22 -3.67 -5.35 -1.26 -4.91 119.36 109.26 2bbx n ILE 29 Ca 0.38 -0.05 0.11 0.00 -0.27 0.00 0.00 62.75 62.91 2bbx n ILE 29 Cb 0.43 -1.06 0.38 0.00 -1.74 0.00 0.00 39.64 37.65 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 4.71 0.00 -8.10 7.28 3.38 -1.39 -3.46 115.31 117.73 2bbx h LEU 30 Ca -0.46 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.40 2bbx h LEU 30 Cb 1.31 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 41.91 2bbx h LEU 30 CO 0.79 0.18 -0.57 -1.00 0.09 0.00 0.00 178.44 177.94 2bbx s HIS 31 N -3.46 0.40 0.77 1.13 3.76 -1.26 -5.07 115.29 111.55 2bbx s HIS 31 Ca 0.02 -0.90 -0.12 0.00 -0.15 0.00 0.00 55.06 53.91 2bbx s HIS 31 Cb 0.09 -0.28 0.06 0.00 1.11 0.00 0.00 32.58 33.56 2bbx s HIS 31 CO 0.64 -0.44 1.13 -1.83 -0.85 0.00 0.00 174.74 173.39 2bbx s GLU 32 N -3.90 2.07 0.00 1.40 -1.05 -1.26 -3.76 118.70 112.19 2bbx s GLU 32 Ca 0.07 1.43 0.00 0.00 -0.15 0.00 0.00 54.97 56.31 2bbx s GLU 32 Cb 0.07 -1.86 0.00 0.00 -0.44 0.00 0.00 34.13 31.90 2bbx s GLU 32 CO -0.10 -1.82 0.00 0.41 0.95 0.00 0.00 175.26 174.70 2bbx n GLY 33 N -0.40 2.86 3.75 -3.83 0.00 -1.26 -5.01 105.19 101.30 2bbx n GLY 33 Ca 0.11 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.75 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 -1.33 3.21 0.00 0.00 2.01 -1.26 -4.94 115.64 113.32 2bbx s THR 35 Ca 0.71 0.97 0.00 0.00 0.31 0.00 0.00 61.69 63.68 2bbx s THR 35 Cb -0.39 -3.62 0.00 0.00 0.01 0.00 0.00 72.50 68.50 2bbx s THR 35 CO 0.46 0.13 0.66 -1.54 -0.69 0.00 0.00 174.62 173.64 2bbx n SER 36 N 2.85 1.18 -3.68 3.53 3.41 -1.26 -4.89 113.62 114.76 2bbx n SER 36 Ca 0.07 -1.42 -0.09 0.00 -0.26 0.00 0.00 58.87 57.16 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 -0.42 0.49 0.23 4.33 2.12 -1.26 -2.66 118.70 121.53 2bbx s GLU 37 Ca 0.00 0.93 -0.03 0.00 0.36 0.00 0.00 54.97 56.23 2bbx s GLU 37 Cb 0.00 0.03 -0.03 0.00 0.26 0.00 0.00 34.13 34.39 2bbx s GLU 37 CO 0.00 -0.16 0.25 0.96 -0.54 0.00 0.00 175.26 175.77 2bbx s ILE 38 N 1.49 0.00 0.10 -3.70 -5.25 -1.00 -5.04 121.20 107.80 2bbx s ILE 38 Ca -0.10 -1.84 -0.02 0.00 -0.99 0.00 0.00 60.65 57.71 2bbx s ILE 38 Cb -0.07 -2.44 -0.03 0.00 2.95 0.00 0.00 42.46 42.86 2bbx s ILE 38 CO -0.15 0.00 0.05 -1.10 -1.79 0.00 0.00 174.94 171.95 2bbx s GLN 39 N -3.97 0.80 0.18 0.37 -0.21 -1.26 -2.71 119.66 112.86 2bbx s GLN 39 Ca 0.35 -1.29 -0.12 0.00 0.02 0.00 0.00 55.36 54.32 2bbx s GLN 39 Cb 0.04 0.25 0.01 0.00 1.00 0.00 0.00 33.01 34.30 2bbx s GLN 39 CO 0.14 -0.21 0.38 -1.83 -2.12 0.00 0.00 175.29 171.64 2bbx s GLU 40 N -3.97 1.25 0.63 2.91 -1.05 -0.68 -5.00 118.70 112.78 2bbx s GLU 40 Ca 0.15 -1.05 -0.17 0.00 -0.15 0.00 0.00 54.97 53.74 2bbx s GLU 40 Cb 0.07 0.43 -0.02 0.00 -0.44 0.00 0.00 34.13 34.18 2bbx s GLU 40 CO -0.04 -0.49 1.17 -0.65 0.95 0.00 0.00 175.26 176.20 2bbx s GLN 41 N -3.93 2.83 0.39 -4.83 -0.21 -1.26 -0.80 119.66 111.84 2bbx s GLN 41 Ca 0.14 1.68 0.06 0.00 0.02 0.00 0.00 55.36 57.26 2bbx s GLN 41 Cb 0.02 -1.93 -0.07 0.00 1.00 0.00 0.00 33.01 32.03 2bbx s GLN 41 CO -0.01 -1.28 0.03 0.00 -2.12 0.00 0.00 175.29 171.90 2bbx n GLU 43 N -0.89 0.57 -2.11 0.00 2.13 -1.26 -3.24 120.64 115.84 2bbx n GLU 43 Ca -0.04 -2.37 -0.41 0.00 0.66 0.00 0.00 57.16 54.99 2bbx n GLU 43 Cb 0.67 -1.47 -0.03 0.00 0.27 0.00 0.00 31.44 30.89 2bbx n GLU 43 CO 0.00 0.00 0.00 -1.21 -0.41 0.00 0.00 177.13 175.51 2bbx s GLU 44 N 0.32 4.33 0.04 5.31 0.41 -0.90 -4.93 118.70 123.27 2bbx s GLU 44 Ca 0.32 2.18 -0.23 0.00 -0.41 0.00 0.00 54.97 56.82 2bbx s GLU 44 Cb 0.10 -3.16 -0.16 0.00 -1.78 0.00 0.00 34.13 29.14 2bbx s GLU 44 CO -0.15 -0.34 1.47 1.49 -0.49 0.00 0.00 175.26 177.23 2bbx h GLU 45 N 5.31 0.11 -2.78 1.61 4.57 -1.88 -3.28 114.58 118.23 2bbx h GLU 45 Ca -0.45 -0.03 0.06 0.00 -1.18 0.00 0.00 59.36 57.76 2bbx h GLU 45 Cb 1.22 -0.01 -0.09 0.00 -0.16 0.00 0.00 28.75 29.70 2bbx h GLU 45 CO 0.78 0.38 0.31 -0.98 -1.18 0.00 0.00 179.01 178.31 2bbx s ARG 46 N -5.00 1.38 0.82 1.92 1.70 -1.26 -4.86 118.95 113.65 2bbx s ARG 46 Ca -0.15 -0.66 -0.14 0.00 -0.47 0.00 0.00 55.73 54.32 2bbx s ARG 46 Cb 0.04 0.53 0.05 0.00 -0.57 0.00 0.00 34.95 35.01 2bbx s ARG 46 CO 0.69 -0.62 0.94 0.00 -1.08 0.00 0.00 175.30 175.23 2bbx n PRO 48 N -2.55 0.44 0.00 0.00 -0.02 -1.26 -4.99 135.00 126.61 2bbx n PRO 48 Ca 0.12 0.20 0.06 0.00 -2.02 0.00 0.00 63.50 61.85 2bbx n PRO 48 Cb 0.51 -2.04 0.35 0.00 -0.02 0.00 0.00 33.50 32.30 2bbx n PRO 48 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13