#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 0.21 -0.03 1.61 0.01 -1.26 -5.19 113.70 109.06 2bbx s SER 2 Ca 0.00 -1.05 -0.09 0.00 1.31 0.00 0.00 55.95 56.12 2bbx s SER 2 Cb 0.00 0.34 0.01 0.00 0.21 0.00 0.00 66.02 66.59 2bbx s SER 2 CO 0.00 -0.78 0.21 0.00 0.41 0.00 0.00 173.24 173.08 2bbx s ALA 3 N -4.00 -0.51 0.07 1.44 0.00 -1.26 -5.06 121.76 112.43 2bbx s ALA 3 Ca 0.20 0.24 0.24 0.00 0.00 0.00 0.00 51.96 52.63 2bbx s ALA 3 Cb 0.06 -0.06 0.83 0.00 0.00 0.00 0.00 23.12 23.94 2bbx s ALA 3 CO -0.00 -0.19 1.78 0.77 0.00 0.00 0.00 175.76 178.13 2bbx h SER 4 N 4.69 0.00 0.00 0.00 0.02 -2.01 -3.47 113.55 112.78 2bbx h SER 4 Ca -0.29 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.66 2bbx h SER 4 Cb 1.19 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.73 2bbx h SER 4 CO 0.39 0.23 0.00 0.00 -1.14 0.00 0.00 176.83 176.31 2bbx n GLY 6 N 0.00 -1.36 3.26 0.00 0.00 -1.26 -1.48 105.19 104.35 2bbx n GLY 6 Ca 0.00 -2.10 -0.14 0.00 0.00 0.00 0.00 46.02 43.78 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 1.01 0.94 1.61 -7.23 -1.26 -5.05 120.40 110.43 2bbx s VAL 7 Ca 0.00 -2.03 -0.12 0.00 -1.81 0.00 0.00 61.98 58.02 2bbx s VAL 7 Cb 0.00 -1.98 0.16 0.00 0.56 0.00 0.00 36.38 35.11 2bbx s VAL 7 CO 0.00 -0.62 1.11 0.26 -0.31 0.00 0.00 175.10 175.54 2bbx s TRP 8 N -3.43 2.35 0.18 2.82 0.52 -1.26 -4.65 118.94 115.47 2bbx s TRP 8 Ca 0.20 0.94 0.02 0.00 0.02 0.00 0.00 56.10 57.28 2bbx s TRP 8 Cb 0.04 -3.31 0.02 0.00 -1.15 0.00 0.00 33.47 29.07 2bbx s TRP 8 CO 0.02 -2.57 0.18 -0.25 0.02 0.00 0.00 176.95 174.36 2bbx n ASP 9 N -3.93 1.18 -4.73 2.95 8.00 -1.23 -5.05 116.55 113.75 2bbx n ASP 9 Ca 0.06 -1.56 -0.37 0.00 0.71 0.00 0.00 54.79 53.63 2bbx n ASP 9 Cb 0.58 -0.07 0.07 0.00 -0.02 0.00 0.00 41.12 41.68 2bbx n ASP 9 CO 0.00 0.00 0.00 -1.84 -0.39 0.00 0.00 177.20 174.97 2bbx n GLU 10 N -1.12 1.15 -1.54 -1.24 0.28 -1.26 -4.92 120.64 111.98 2bbx n GLU 10 Ca 0.02 0.45 -0.30 0.00 -0.16 0.00 0.00 57.16 57.17 2bbx n GLU 10 Cb 0.20 -2.54 0.11 0.00 1.43 0.00 0.00 31.44 30.64 2bbx n GLU 10 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 177.13 175.39 2bbx s TRP 11 N -1.38 2.72 0.31 -1.84 0.52 -1.26 -4.75 118.94 113.26 2bbx s TRP 11 Ca 0.82 1.05 0.07 0.00 0.02 0.00 0.00 56.10 58.07 2bbx s TRP 11 Cb -0.38 -3.21 -0.03 0.00 -1.15 0.00 0.00 33.47 28.70 2bbx s TRP 11 CO 0.41 -1.97 0.26 -1.12 0.02 0.00 0.00 176.95 174.55 2bbx s SER 12 N -3.94 5.38 0.91 2.95 0.01 -0.57 -5.02 113.70 113.42 2bbx s SER 12 Ca 0.62 -0.41 -0.11 0.00 1.31 0.00 0.00 55.95 57.36 2bbx s SER 12 Cb -0.15 -1.12 0.14 0.00 0.21 0.00 0.00 66.02 65.10 2bbx s SER 12 CO 0.54 -0.25 1.09 -2.16 0.41 0.00 0.00 173.24 172.87 2bbx s PRO 13 N -3.95 1.15 0.71 12.44 0.04 -1.26 -4.45 135.00 139.68 2bbx s PRO 13 Ca 0.38 0.96 -0.14 0.00 0.04 0.00 0.00 61.00 62.24 2bbx s PRO 13 Cb -0.07 -1.79 0.03 0.00 0.04 0.00 0.00 34.50 32.72 2bbx s PRO 13 CO 0.26 -2.36 1.15 0.00 0.04 0.00 0.00 177.00 176.09 2bbx n SER 15 N -2.71 0.59 -4.21 0.00 3.41 0.36 -4.79 113.62 106.26 2bbx n SER 15 Ca 0.11 0.67 -0.12 0.00 -0.26 0.00 0.00 58.87 59.27 2bbx n SER 15 Cb 0.51 -0.78 -0.10 0.00 -0.26 0.00 0.00 64.21 63.58 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 -3.33 0.38 -0.66 -3.33 -7.23 -1.26 -4.99 120.40 99.98 2bbx s VAL 16 Ca 0.03 -1.96 0.00 0.00 -1.81 0.00 0.00 61.98 58.24 2bbx s VAL 16 Cb 0.08 -2.19 0.00 0.00 0.56 0.00 0.00 36.38 34.83 2bbx s VAL 16 CO 0.34 -0.37 0.59 0.35 -0.31 0.00 0.00 175.10 175.71 2bbx n THR 17 N -0.22 0.30 -3.76 5.32 -2.24 -1.26 -4.81 114.28 107.61 2bbx n THR 17 Ca -0.04 0.00 -0.08 0.00 -2.27 0.00 0.00 64.05 61.65 2bbx n THR 17 Cb 0.64 -0.61 -0.02 0.00 -2.10 0.00 0.00 70.33 68.23 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 -0.43 2.10 0.95 0.00 0.00 -0.85 -4.06 105.19 102.90 2bbx n GLY 19 Ca -0.07 -0.42 0.05 0.00 0.00 0.00 0.00 46.02 45.58 2bbx n GLY 19 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2bbx n LYS 20 N 2.18 0.66 0.00 1.61 4.76 -1.26 -4.85 118.16 121.25 2bbx n LYS 20 Ca 0.15 -2.39 0.00 0.00 -2.87 0.00 0.00 58.31 53.19 2bbx n LYS 20 Cb 0.48 -0.75 0.00 0.00 -1.84 0.00 0.00 35.03 32.92 2bbx n LYS 20 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2bbx n GLY 21 N -0.28 3.94 3.32 0.72 0.00 -1.26 -4.95 105.19 106.69 2bbx n GLY 21 Ca 0.11 -0.97 -0.18 0.00 0.00 0.00 0.00 46.02 44.98 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 -1.84 1.63 0.25 2.61 -4.23 -1.26 -1.19 115.64 111.61 2bbx s THR 22 Ca 0.00 -2.15 0.04 0.00 -1.18 0.00 0.00 61.69 58.39 2bbx s THR 22 Cb 0.00 -1.98 -0.05 0.00 1.34 0.00 0.00 72.50 71.81 2bbx s THR 22 CO 0.00 -0.60 0.01 0.00 -0.54 0.00 0.00 174.62 173.49 2bbx s ARG 23 N -3.58 1.42 0.19 3.99 1.70 -0.21 -0.49 118.95 121.96 2bbx s ARG 23 Ca 0.21 -1.73 -0.05 0.00 -0.47 0.00 0.00 55.73 53.68 2bbx s ARG 23 Cb -0.01 -0.69 -0.03 0.00 -0.57 0.00 0.00 34.95 33.66 2bbx s ARG 23 CO 0.06 -0.11 0.21 -1.54 -1.08 0.00 0.00 175.30 172.84 2bbx s SER 24 N -3.35 0.11 0.16 -2.89 1.04 -1.26 -2.00 113.70 105.52 2bbx s SER 24 Ca 0.31 -1.15 -0.19 0.00 0.48 0.00 0.00 55.95 55.39 2bbx s SER 24 Cb 0.06 0.41 0.04 0.00 0.10 0.00 0.00 66.02 66.64 2bbx s SER 24 CO 0.11 -0.89 0.52 0.00 0.98 0.00 0.00 173.24 173.96 2bbx s ARG 25 N -4.07 1.27 0.32 4.02 1.70 -1.18 -1.51 118.95 119.50 2bbx s ARG 25 Ca 0.28 -0.68 0.08 0.00 -0.47 0.00 0.00 55.73 54.94 2bbx s ARG 25 Cb 0.05 0.53 -0.06 0.00 -0.57 0.00 0.00 34.95 34.90 2bbx s ARG 25 CO 0.07 -0.53 -0.07 0.15 -1.08 0.00 0.00 175.30 173.83 2bbx s LYS 26 N -3.81 1.70 0.06 3.89 1.02 -1.26 -2.60 119.74 118.74 2bbx s LYS 26 Ca 0.04 -1.88 -0.16 0.00 0.02 0.00 0.00 55.97 54.00 2bbx s LYS 26 Cb -0.00 -1.43 0.03 0.00 -0.52 0.00 0.00 37.83 35.91 2bbx s LYS 26 CO -0.09 0.08 0.37 -0.98 -0.92 0.00 0.00 175.35 173.80 2bbx s ARG 27 N -3.68 0.91 -1.25 1.68 1.70 -0.84 -3.52 118.95 113.95 2bbx s ARG 27 Ca 0.31 -0.49 -0.12 0.00 -0.47 0.00 0.00 55.73 54.96 2bbx s ARG 27 Cb 0.04 0.40 0.16 0.00 -0.57 0.00 0.00 34.95 34.98 2bbx s ARG 27 CO 0.14 -0.31 1.63 0.39 -1.08 0.00 0.00 175.30 176.07 2bbx n GLU 28 N 0.37 3.44 -1.63 3.89 -0.58 -1.26 -4.72 120.64 120.15 2bbx n GLU 28 Ca -0.18 -3.67 -0.47 0.00 -0.42 0.00 0.00 57.16 52.42 2bbx n GLU 28 Cb 0.60 -3.03 -0.04 0.00 -0.57 0.00 0.00 31.44 28.41 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 4.27 0.74 0.16 -3.67 -5.35 -1.26 -4.88 119.36 109.37 2bbx n ILE 29 Ca 0.39 -0.19 0.03 0.00 -0.27 0.00 0.00 62.75 62.71 2bbx n ILE 29 Cb 0.40 -1.20 0.23 0.00 -1.74 0.00 0.00 39.64 37.33 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 4.13 0.00 -7.98 7.28 3.38 -1.65 -3.47 115.31 117.00 2bbx h LEU 30 Ca -0.45 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.42 2bbx h LEU 30 Cb 1.30 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 41.91 2bbx h LEU 30 CO 0.75 0.48 -0.46 -1.00 0.09 0.00 0.00 178.44 178.31 2bbx s HIS 31 N -3.46 0.31 0.55 1.13 3.76 -1.26 -4.99 115.29 111.32 2bbx s HIS 31 Ca 0.00 -0.76 -0.21 0.00 -0.15 0.00 0.00 55.06 53.95 2bbx s HIS 31 Cb 0.11 -0.16 -0.05 0.00 1.11 0.00 0.00 32.58 33.59 2bbx s HIS 31 CO 0.72 -0.52 1.27 -2.00 -0.85 0.00 0.00 174.74 173.36 2bbx s GLU 32 N -3.90 3.18 0.00 1.40 2.56 -1.26 -3.53 118.70 117.15 2bbx s GLU 32 Ca 0.08 2.01 0.00 0.00 0.00 0.00 0.00 54.97 57.06 2bbx s GLU 32 Cb 0.06 -2.16 0.00 0.00 2.00 0.00 0.00 34.13 34.02 2bbx s GLU 32 CO -0.09 -1.09 0.00 0.41 -0.56 0.00 0.00 175.26 173.93 2bbx n GLY 33 N 0.62 2.04 0.00 -1.50 0.00 -1.26 -4.92 105.19 100.17 2bbx n GLY 33 Ca 0.11 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.23 2bbx n GLY 33 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bbx n THR 35 N -1.34 -9.48 0.12 0.00 -1.04 -1.26 -5.01 114.28 96.27 2bbx n THR 35 Ca 0.08 2.77 0.03 0.00 -2.04 0.00 0.00 64.05 64.89 2bbx n THR 35 Cb 0.18 -4.36 0.05 0.00 -1.82 0.00 0.00 70.33 64.38 2bbx n THR 35 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 2bbx n SER 36 N 1.17 1.94 -3.69 8.00 3.41 -1.26 -4.87 113.62 118.32 2bbx n SER 36 Ca 0.00 -1.56 -0.12 0.00 -0.26 0.00 0.00 58.87 56.93 2bbx n SER 36 Cb 0.00 -0.05 -0.09 0.00 -0.26 0.00 0.00 64.21 63.80 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 -0.73 0.56 0.23 4.33 2.12 -1.26 -1.98 118.70 121.97 2bbx s GLU 37 Ca 0.10 0.80 -0.02 0.00 0.36 0.00 0.00 54.97 56.21 2bbx s GLU 37 Cb 0.06 0.19 -0.03 0.00 0.26 0.00 0.00 34.13 34.61 2bbx s GLU 37 CO 0.09 -0.11 0.23 0.96 -0.54 0.00 0.00 175.26 175.89 2bbx s ILE 38 N 0.76 0.00 0.07 -3.70 -5.25 -1.07 -5.04 121.20 106.96 2bbx s ILE 38 Ca -0.04 -1.88 -0.04 0.00 -0.99 0.00 0.00 60.65 57.71 2bbx s ILE 38 Cb -0.05 -2.46 -0.03 0.00 2.95 0.00 0.00 42.46 42.87 2bbx s ILE 38 CO -0.06 0.00 0.05 -1.10 -1.79 0.00 0.00 174.94 172.04 2bbx s GLN 39 N -3.99 0.70 0.18 0.37 -0.21 -1.26 -3.08 119.66 112.37 2bbx s GLN 39 Ca 0.36 -1.14 -0.15 0.00 0.02 0.00 0.00 55.36 54.45 2bbx s GLN 39 Cb 0.05 0.26 0.02 0.00 1.00 0.00 0.00 33.01 34.33 2bbx s GLN 39 CO 0.14 -0.17 0.44 -1.83 -2.12 0.00 0.00 175.29 171.75 2bbx s GLU 40 N -3.90 1.27 0.18 2.91 -1.05 -0.85 -5.00 118.70 112.26 2bbx s GLU 40 Ca 0.07 -0.92 -0.31 0.00 -0.15 0.00 0.00 54.97 53.66 2bbx s GLU 40 Cb 0.07 0.48 -0.10 0.00 -0.44 0.00 0.00 34.13 34.13 2bbx s GLU 40 CO -0.10 -0.52 1.55 -1.14 0.95 0.00 0.00 175.26 176.01 2bbx s GLN 41 N -3.89 4.22 0.84 -4.83 0.74 -1.26 -1.05 119.66 114.43 2bbx s GLN 41 Ca 0.10 2.36 -0.12 0.00 0.05 0.00 0.00 55.36 57.75 2bbx s GLN 41 Cb 0.01 -3.15 0.12 0.00 1.10 0.00 0.00 33.01 31.09 2bbx s GLN 41 CO -0.04 -0.59 1.19 0.00 -0.55 0.00 0.00 175.29 175.31 2bbx n GLU 43 N -3.38 1.21 -1.53 0.00 2.13 -1.26 -4.67 120.64 113.14 2bbx n GLU 43 Ca 0.11 -2.92 -0.34 0.00 0.66 0.00 0.00 57.16 54.67 2bbx n GLU 43 Cb 0.60 -1.02 0.08 0.00 0.27 0.00 0.00 31.44 31.38 2bbx n GLU 43 CO 0.00 0.00 0.00 -2.00 -0.41 0.00 0.00 177.13 174.72 2bbx s GLU 44 N -2.09 2.33 0.49 5.31 2.56 -1.26 -4.80 118.70 121.23 2bbx s GLU 44 Ca 0.35 1.65 0.06 0.00 0.00 0.00 0.00 54.97 57.03 2bbx s GLU 44 Cb 0.37 -1.87 0.01 0.00 2.00 0.00 0.00 34.13 34.64 2bbx s GLU 44 CO -0.09 -1.67 0.37 -1.83 -0.56 0.00 0.00 175.26 171.48 2bbx s GLU 45 N -3.96 2.32 -1.15 4.30 -1.05 -1.26 -2.01 118.70 115.89 2bbx s GLU 45 Ca 0.72 -1.86 -0.07 0.00 -0.15 0.00 0.00 54.97 53.62 2bbx s GLU 45 Cb -0.26 -2.16 0.01 0.00 -0.44 0.00 0.00 34.13 31.27 2bbx s GLU 45 CO 0.44 -0.43 1.00 0.54 0.95 0.00 0.00 175.26 177.76 2bbx n ARG 46 N -1.64 -6.73 -1.38 -4.83 1.74 -1.26 -4.34 116.66 98.22 2bbx n ARG 46 Ca 0.00 0.72 -0.40 0.00 -0.77 0.00 0.00 57.85 57.40 2bbx n ARG 46 Cb 0.64 -5.42 0.02 0.00 -1.02 0.00 0.00 32.46 26.67 2bbx n ARG 46 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2bbx s PRO 48 N -1.49 2.64 0.00 0.00 0.04 -1.26 -5.04 135.00 129.89 2bbx s PRO 48 Ca 0.63 1.11 0.12 0.00 0.04 0.00 0.00 61.00 62.90 2bbx s PRO 48 Cb -0.53 -1.95 0.73 0.00 0.04 0.00 0.00 34.50 32.79 2bbx s PRO 48 CO 0.60 -1.34 1.16 -0.35 0.04 0.00 0.00 177.00 177.11