#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bbx h SER 2 N 0.00 0.00 -4.12 1.61 4.64 -2.12 -3.46 113.55 110.10 2bbx h SER 2 Ca 0.00 0.00 -0.50 0.00 -0.47 0.00 0.00 61.79 60.82 2bbx h SER 2 Cb 0.00 0.00 0.16 0.00 -0.31 0.00 0.00 62.40 62.25 2bbx h SER 2 CO 0.00 0.02 0.25 0.00 -0.87 0.00 0.00 176.83 176.23 2bbx s ALA 3 N -3.44 1.59 -0.12 5.18 0.00 -1.26 -5.10 121.76 118.62 2bbx s ALA 3 Ca 0.04 0.17 -0.15 0.00 0.00 0.00 0.00 51.96 52.01 2bbx s ALA 3 Cb 0.07 -3.27 0.04 0.00 0.00 0.00 0.00 23.12 19.96 2bbx s ALA 3 CO 0.61 -2.37 0.40 0.45 0.00 0.00 0.00 175.76 174.85 2bbx s SER 4 N -3.19 -0.39 0.00 0.00 0.15 -1.26 -5.05 113.70 103.97 2bbx s SER 4 Ca 0.64 0.65 0.29 0.00 0.70 0.00 0.00 55.95 58.23 2bbx s SER 4 Cb -0.19 0.70 1.35 0.00 -1.71 0.00 0.00 66.02 66.17 2bbx s SER 4 CO 0.57 -0.24 1.96 0.00 1.20 0.00 0.00 173.24 176.73 2bbx n GLY 6 N 1.33 -0.89 3.33 0.00 0.00 -1.26 -0.93 105.19 106.77 2bbx n GLY 6 Ca 0.13 -2.11 -0.17 0.00 0.00 0.00 0.00 46.02 43.87 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 1.33 0.93 1.61 -7.23 -1.26 -5.05 120.40 110.73 2bbx s VAL 7 Ca 0.00 -2.09 -0.13 0.00 -1.81 0.00 0.00 61.98 57.95 2bbx s VAL 7 Cb 0.00 -2.16 0.15 0.00 0.56 0.00 0.00 36.38 34.93 2bbx s VAL 7 CO 0.00 -0.50 1.14 0.26 -0.31 0.00 0.00 175.10 175.70 2bbx s TRP 8 N -3.23 2.35 0.30 2.82 0.52 -1.26 -4.68 118.94 115.77 2bbx s TRP 8 Ca 0.24 0.82 0.04 0.00 0.02 0.00 0.00 56.10 57.22 2bbx s TRP 8 Cb 0.03 -3.42 0.04 0.00 -1.15 0.00 0.00 33.47 28.97 2bbx s TRP 8 CO 0.07 -2.48 0.35 -0.25 0.02 0.00 0.00 176.95 174.66 2bbx n ASP 9 N -3.83 1.42 -4.76 2.95 8.00 -1.22 -5.05 116.55 114.06 2bbx n ASP 9 Ca 0.07 -1.89 -0.39 0.00 0.71 0.00 0.00 54.79 53.29 2bbx n ASP 9 Cb 0.59 -0.15 0.03 0.00 -0.02 0.00 0.00 41.12 41.57 2bbx n ASP 9 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 2bbx s GLU 10 N -3.33 3.39 0.79 -1.24 2.02 -1.26 -4.92 118.70 114.15 2bbx s GLU 10 Ca 0.27 2.35 -0.11 0.00 0.02 0.00 0.00 54.97 57.49 2bbx s GLU 10 Cb -0.02 -2.45 0.07 0.00 0.10 0.00 0.00 34.13 31.82 2bbx s GLU 10 CO 0.17 -1.03 1.09 -1.58 0.02 0.00 0.00 175.26 173.93 2bbx s TRP 11 N -1.24 2.63 0.41 1.61 0.52 -1.26 -4.79 118.94 116.81 2bbx s TRP 11 Ca 0.67 1.42 -0.01 0.00 0.02 0.00 0.00 56.10 58.19 2bbx s TRP 11 Cb -0.43 -3.05 -0.03 0.00 -1.15 0.00 0.00 33.47 28.81 2bbx s TRP 11 CO 0.53 -1.85 0.64 -1.12 0.02 0.00 0.00 176.95 175.17 2bbx s SER 12 N -3.52 6.21 0.85 2.95 0.01 -0.48 -5.03 113.70 114.69 2bbx s SER 12 Ca 0.61 0.58 -0.11 0.00 1.31 0.00 0.00 55.95 58.35 2bbx s SER 12 Cb -0.17 -2.03 0.10 0.00 0.21 0.00 0.00 66.02 64.14 2bbx s SER 12 CO 0.56 -0.45 1.11 -2.16 0.41 0.00 0.00 173.24 172.71 2bbx s PRO 13 N -4.49 1.64 0.49 12.44 0.04 -1.26 -4.53 135.00 139.32 2bbx s PRO 13 Ca 0.44 1.25 -0.23 0.00 0.04 0.00 0.00 61.00 62.49 2bbx s PRO 13 Cb -0.10 -1.82 -0.07 0.00 0.04 0.00 0.00 34.50 32.55 2bbx s PRO 13 CO 0.39 -2.10 1.36 0.00 0.04 0.00 0.00 177.00 176.69 2bbx n SER 15 N -0.57 0.00 -4.18 0.00 3.41 -0.34 -4.72 113.62 107.22 2bbx n SER 15 Ca 0.08 0.28 -0.11 0.00 -0.26 0.00 0.00 58.87 58.86 2bbx n SER 15 Cb 0.44 -0.36 -0.10 0.00 -0.26 0.00 0.00 64.21 63.93 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 -2.72 0.52 -2.55 -3.33 -7.23 -1.26 -4.96 120.40 98.86 2bbx s VAL 16 Ca 0.06 -1.93 0.23 0.00 -1.81 0.00 0.00 61.98 58.54 2bbx s VAL 16 Cb 0.05 -1.86 0.11 0.00 0.56 0.00 0.00 36.38 35.24 2bbx s VAL 16 CO 0.13 -0.70 1.20 0.35 -0.31 0.00 0.00 175.10 175.77 2bbx n THR 17 N -0.09 0.00 -3.67 5.32 -2.24 -1.26 -4.86 114.28 107.48 2bbx n THR 17 Ca -0.09 -0.39 -0.14 0.00 -2.27 0.00 0.00 64.05 61.16 2bbx n THR 17 Cb 0.62 1.36 -0.08 0.00 -2.10 0.00 0.00 70.33 70.13 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 2.47 -0.84 3.81 0.00 0.00 -1.12 -4.82 105.19 104.70 2bbx n GLY 19 Ca -0.15 -1.11 -0.33 0.00 0.00 0.00 0.00 46.02 44.43 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 0.00 3.57 0.00 1.61 1.02 -1.26 -1.63 119.74 123.05 2bbx s LYS 20 Ca 0.00 1.23 0.00 0.00 0.02 0.00 0.00 55.97 57.22 2bbx s LYS 20 Cb 0.00 -2.07 0.00 0.00 -0.52 0.00 0.00 37.83 35.24 2bbx s LYS 20 CO 0.00 -0.60 0.00 0.41 -0.92 0.00 0.00 175.35 174.24 2bbx n GLY 21 N -0.78 2.70 3.10 -3.33 0.00 -0.24 -4.88 105.19 101.76 2bbx n GLY 21 Ca 0.09 -0.47 -0.13 0.00 0.00 0.00 0.00 46.02 45.51 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 -1.36 0.62 0.31 2.61 -4.23 -1.26 -1.07 115.64 111.26 2bbx s THR 22 Ca 0.00 -1.30 0.04 0.00 -1.18 0.00 0.00 61.69 59.25 2bbx s THR 22 Cb 0.00 -0.90 -0.06 0.00 1.34 0.00 0.00 72.50 72.88 2bbx s THR 22 CO 0.00 -0.49 0.05 0.00 -0.54 0.00 0.00 174.62 173.65 2bbx s ARG 23 N -2.12 1.60 0.23 3.99 1.70 0.09 -1.20 118.95 123.24 2bbx s ARG 23 Ca -0.04 -1.88 -0.12 0.00 -0.47 0.00 0.00 55.73 53.22 2bbx s ARG 23 Cb -0.06 -0.80 -0.00 0.00 -0.57 0.00 0.00 34.95 33.51 2bbx s ARG 23 CO -0.01 -0.18 0.45 -1.54 -1.08 0.00 0.00 175.30 172.94 2bbx s SER 24 N -3.46 -0.08 0.15 -2.89 1.04 -1.26 -1.45 113.70 105.75 2bbx s SER 24 Ca 0.36 -0.91 -0.20 0.00 0.48 0.00 0.00 55.95 55.68 2bbx s SER 24 Cb 0.08 0.56 0.05 0.00 0.10 0.00 0.00 66.02 66.82 2bbx s SER 24 CO 0.15 -1.10 0.51 0.00 0.98 0.00 0.00 173.24 173.78 2bbx s ARG 25 N -4.01 1.20 0.34 4.02 1.70 -1.07 -1.39 118.95 119.75 2bbx s ARG 25 Ca 0.22 -0.60 0.09 0.00 -0.47 0.00 0.00 55.73 54.96 2bbx s ARG 25 Cb 0.00 0.53 -0.06 0.00 -0.57 0.00 0.00 34.95 34.86 2bbx s ARG 25 CO 0.07 -0.50 -0.03 0.15 -1.08 0.00 0.00 175.30 173.91 2bbx s LYS 26 N -3.78 1.96 0.13 3.89 1.02 -1.26 -2.11 119.74 119.59 2bbx s LYS 26 Ca 0.02 -1.84 -0.17 0.00 0.02 0.00 0.00 55.97 54.01 2bbx s LYS 26 Cb 0.00 -1.82 0.04 0.00 -0.52 0.00 0.00 37.83 35.52 2bbx s LYS 26 CO -0.12 0.13 0.42 -0.98 -0.92 0.00 0.00 175.35 173.89 2bbx s ARG 27 N -3.67 1.10 -0.95 1.68 1.70 -0.55 -3.44 118.95 114.82 2bbx s ARG 27 Ca 0.34 -0.70 -0.13 0.00 -0.47 0.00 0.00 55.73 54.76 2bbx s ARG 27 Cb 0.01 0.48 0.22 0.00 -0.57 0.00 0.00 34.95 35.09 2bbx s ARG 27 CO 0.18 -0.44 0.98 -1.21 -1.08 0.00 0.00 175.30 173.73 2bbx s GLU 28 N -3.80 3.81 0.06 3.89 0.41 -1.26 -4.77 118.70 117.03 2bbx s GLU 28 Ca 0.03 -2.57 -0.37 0.00 -0.41 0.00 0.00 54.97 51.66 2bbx s GLU 28 Cb 0.01 -4.60 -0.16 0.00 -1.78 0.00 0.00 34.13 27.60 2bbx s GLU 28 CO -0.11 -1.40 1.41 0.44 -0.49 0.00 0.00 175.26 175.11 2bbx n ILE 29 N 3.93 0.03 0.29 -1.63 -5.35 -1.26 -4.90 119.36 110.48 2bbx n ILE 29 Ca 0.20 -0.01 0.18 0.00 -0.27 0.00 0.00 62.75 62.86 2bbx n ILE 29 Cb 0.45 -0.95 0.77 0.00 -1.74 0.00 0.00 39.64 38.17 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 5.00 0.00 -7.97 7.28 3.38 -1.34 -3.46 115.31 118.20 2bbx h LEU 30 Ca -0.47 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.46 2bbx h LEU 30 Cb 1.32 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 41.98 2bbx h LEU 30 CO 0.81 0.00 -0.05 -1.38 0.09 0.00 0.00 178.44 177.91 2bbx s HIS 31 N -3.74 0.12 0.85 1.13 -3.43 -1.26 -5.07 115.29 103.89 2bbx s HIS 31 Ca 0.00 -0.48 -0.13 0.00 -0.80 0.00 0.00 55.06 53.65 2bbx s HIS 31 Cb 0.10 0.29 0.06 0.00 -1.43 0.00 0.00 32.58 31.60 2bbx s HIS 31 CO 0.51 -0.95 0.87 -1.91 -2.00 0.00 0.00 174.74 171.26 2bbx n GLU 32 N -0.35 -0.02 -1.16 -0.38 4.07 -1.26 -4.07 120.64 117.47 2bbx n GLU 32 Ca -0.06 0.06 -0.05 0.00 -0.06 0.00 0.00 57.16 57.05 2bbx n GLU 32 Cb 0.62 -2.17 -0.02 0.00 -0.06 0.00 0.00 31.44 29.80 2bbx n GLU 32 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2bbx n GLY 33 N 0.94 0.79 3.38 8.31 0.00 -1.26 -5.04 105.19 112.32 2bbx n GLY 33 Ca 0.11 -0.54 -0.24 0.00 0.00 0.00 0.00 46.02 45.36 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 -2.00 2.93 0.00 0.00 2.01 -1.26 -4.95 115.64 112.38 2bbx s THR 35 Ca 0.19 0.78 0.00 0.00 0.31 0.00 0.00 61.69 62.97 2bbx s THR 35 Cb -0.06 -3.50 0.00 0.00 0.01 0.00 0.00 72.50 68.95 2bbx s THR 35 CO 0.09 0.12 0.39 -1.54 -0.69 0.00 0.00 174.62 172.98 2bbx n SER 36 N 2.49 0.77 -3.69 3.53 3.41 -1.26 -4.85 113.62 114.02 2bbx n SER 36 Ca 0.06 -1.01 -0.12 0.00 -0.26 0.00 0.00 58.87 57.55 2bbx n SER 36 Cb 0.41 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 64.27 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 -0.01 0.58 0.19 4.33 2.12 -1.26 -1.48 118.70 123.18 2bbx s GLU 37 Ca 0.00 0.78 -0.03 0.00 0.36 0.00 0.00 54.97 56.08 2bbx s GLU 37 Cb 0.00 0.22 -0.03 0.00 0.26 0.00 0.00 34.13 34.58 2bbx s GLU 37 CO 0.00 -0.09 0.18 0.96 -0.54 0.00 0.00 175.26 175.77 2bbx s ILE 38 N 0.60 0.02 0.04 -3.70 -5.25 -0.90 -5.03 121.20 106.99 2bbx s ILE 38 Ca -0.03 -1.86 -0.01 0.00 -0.99 0.00 0.00 60.65 57.76 2bbx s ILE 38 Cb -0.05 -2.35 -0.03 0.00 2.95 0.00 0.00 42.46 42.98 2bbx s ILE 38 CO -0.04 -0.09 -0.02 -1.10 -1.79 0.00 0.00 174.94 171.91 2bbx s GLN 39 N -4.11 0.55 0.19 0.37 -0.21 -1.26 -2.61 119.66 112.58 2bbx s GLN 39 Ca 0.33 -1.05 -0.15 0.00 0.02 0.00 0.00 55.36 54.51 2bbx s GLN 39 Cb 0.06 0.19 0.02 0.00 1.00 0.00 0.00 33.01 34.28 2bbx s GLN 39 CO 0.09 -0.10 0.46 -1.83 -2.12 0.00 0.00 175.29 171.79 2bbx s GLU 40 N -3.30 1.34 0.48 2.91 -1.05 -0.53 -5.00 118.70 113.56 2bbx s GLU 40 Ca 0.01 -0.97 -0.23 0.00 -0.15 0.00 0.00 54.97 53.63 2bbx s GLU 40 Cb 0.03 0.48 -0.07 0.00 -0.44 0.00 0.00 34.13 34.14 2bbx s GLU 40 CO -0.08 -0.55 1.27 -1.14 0.95 0.00 0.00 175.26 175.71 2bbx s GLN 41 N -3.91 3.55 0.23 -4.83 0.74 -1.26 -0.74 119.66 113.45 2bbx s GLN 41 Ca 0.12 2.04 0.03 0.00 0.05 0.00 0.00 55.36 57.60 2bbx s GLN 41 Cb 0.00 -2.42 -0.05 0.00 1.10 0.00 0.00 33.01 31.64 2bbx s GLN 41 CO -0.01 -0.80 0.03 0.00 -0.55 0.00 0.00 175.29 173.96 2bbx s GLU 43 N -3.92 0.68 -0.10 0.00 2.12 -1.26 -1.08 118.70 115.14 2bbx s GLU 43 Ca 0.30 0.24 0.04 0.00 0.36 0.00 0.00 54.97 55.91 2bbx s GLU 43 Cb 0.06 0.32 -0.00 0.00 0.26 0.00 0.00 34.13 34.77 2bbx s GLU 43 CO 0.09 -0.16 -0.23 -1.21 -0.54 0.00 0.00 175.26 173.22 2bbx s GLU 44 N -0.63 3.08 0.24 4.30 0.41 -0.64 -4.99 118.70 120.46 2bbx s GLU 44 Ca -0.07 -0.85 -0.06 0.00 -0.41 0.00 0.00 54.97 53.57 2bbx s GLU 44 Cb -0.03 -2.34 0.32 0.00 -1.78 0.00 0.00 34.13 30.29 2bbx s GLU 44 CO 0.04 0.19 1.85 1.49 -0.49 0.00 0.00 175.26 178.34 2bbx h GLU 45 N 6.68 0.91 -3.26 1.61 4.81 -1.89 -2.96 114.58 120.48 2bbx h GLU 45 Ca -0.20 -0.05 -0.07 0.00 -0.13 0.00 0.00 59.36 58.90 2bbx h GLU 45 Cb 1.23 -0.21 -0.15 0.00 0.63 0.00 0.00 28.75 30.26 2bbx h GLU 45 CO 0.48 0.60 -0.14 -0.98 -0.73 0.00 0.00 179.01 178.25 2bbx s ARG 46 N -6.07 0.95 0.63 1.92 1.70 -1.26 -4.88 118.95 111.94 2bbx s ARG 46 Ca -0.13 -0.55 -0.16 0.00 -0.47 0.00 0.00 55.73 54.42 2bbx s ARG 46 Cb 0.18 0.42 -0.02 0.00 -0.57 0.00 0.00 34.95 34.96 2bbx s ARG 46 CO 0.79 -0.34 1.10 0.00 -1.08 0.00 0.00 175.30 175.77 2bbx s PRO 48 N -3.97 2.59 0.00 0.00 0.04 -1.26 -5.05 135.00 127.34 2bbx s PRO 48 Ca 0.67 1.22 0.12 0.00 0.04 0.00 0.00 61.00 63.05 2bbx s PRO 48 Cb -0.20 -1.93 0.71 0.00 0.04 0.00 0.00 34.50 33.11 2bbx s PRO 48 CO 0.38 -1.40 1.14 -0.35 0.04 0.00 0.00 177.00 176.82