#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 0.00 -4.73 1.61 3.41 -1.26 -5.12 113.62 107.53 2bbx n SER 2 Ca 0.00 -1.00 -0.32 0.00 -0.26 0.00 0.00 58.87 57.29 2bbx n SER 2 Cb 0.00 0.00 0.11 0.00 -0.26 0.00 0.00 64.21 64.06 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 1.98 0.13 7.33 0.00 -1.26 -5.09 121.76 124.86 2bbx s ALA 3 Ca 0.00 0.51 -0.24 0.00 0.00 0.00 0.00 51.96 52.23 2bbx s ALA 3 Cb 0.00 -3.37 0.07 0.00 0.00 0.00 0.00 23.12 19.82 2bbx s ALA 3 CO 0.00 -2.09 0.63 -1.12 0.00 0.00 0.00 175.76 173.19 2bbx s SER 4 N -2.84 -0.55 0.00 0.00 0.01 -1.26 -5.08 113.70 103.98 2bbx s SER 4 Ca 0.66 0.04 0.00 0.00 1.31 0.00 0.00 55.95 57.96 2bbx s SER 4 Cb -0.21 0.57 0.00 0.00 0.21 0.00 0.00 66.02 66.59 2bbx s SER 4 CO 0.53 -0.92 0.62 0.00 0.41 0.00 0.00 173.24 173.89 2bbx n GLY 6 N -0.19 -1.72 3.36 0.00 0.00 -1.26 -2.81 105.19 102.57 2bbx n GLY 6 Ca 0.00 -1.65 -0.19 0.00 0.00 0.00 0.00 46.02 44.18 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 1.59 0.96 1.61 -7.23 -1.26 -5.06 120.40 111.01 2bbx s VAL 7 Ca 0.00 -2.15 -0.12 0.00 -1.81 0.00 0.00 61.98 57.89 2bbx s VAL 7 Cb 0.00 -2.17 0.17 0.00 0.56 0.00 0.00 36.38 34.93 2bbx s VAL 7 CO 0.00 -0.50 1.11 0.26 -0.31 0.00 0.00 175.10 175.67 2bbx s TRP 8 N -3.06 2.30 0.13 2.82 0.52 -1.26 -4.68 118.94 115.70 2bbx s TRP 8 Ca 0.25 0.92 0.02 0.00 0.02 0.00 0.00 56.10 57.30 2bbx s TRP 8 Cb 0.02 -3.33 0.02 0.00 -1.15 0.00 0.00 33.47 29.03 2bbx s TRP 8 CO 0.08 -2.65 0.15 -0.25 0.02 0.00 0.00 176.95 174.30 2bbx n ASP 9 N -3.98 0.87 -4.74 2.95 8.00 -1.23 -5.05 116.55 113.37 2bbx n ASP 9 Ca 0.06 -1.39 -0.38 0.00 0.71 0.00 0.00 54.79 53.79 2bbx n ASP 9 Cb 0.58 -0.06 0.05 0.00 -0.02 0.00 0.00 41.12 41.67 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 -1.08 1.48 -1.30 -1.24 0.28 -1.26 -4.92 120.64 112.59 2bbx n GLU 10 Ca 0.02 0.55 -0.29 0.00 -0.16 0.00 0.00 57.16 57.28 2bbx n GLU 10 Cb 0.14 -2.55 0.15 0.00 1.43 0.00 0.00 31.44 30.61 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 -1.32 2.31 0.35 -1.84 0.52 -1.26 -4.74 118.94 112.96 2bbx s TRP 11 Ca 0.76 1.02 0.09 0.00 0.02 0.00 0.00 56.10 57.99 2bbx s TRP 11 Cb -0.40 -3.26 -0.06 0.00 -1.15 0.00 0.00 33.47 28.60 2bbx s TRP 11 CO 0.46 -2.56 0.01 -1.54 0.02 0.00 0.00 176.95 173.34 2bbx s SER 12 N -3.63 4.10 0.72 2.95 1.04 -0.82 -5.02 113.70 113.04 2bbx s SER 12 Ca 0.64 -1.07 -0.13 0.00 0.48 0.00 0.00 55.95 55.87 2bbx s SER 12 Cb -0.17 -0.48 0.03 0.00 0.10 0.00 0.00 66.02 65.50 2bbx s SER 12 CO 0.56 -0.28 1.11 -2.16 0.98 0.00 0.00 173.24 173.45 2bbx s PRO 13 N -3.72 2.45 0.55 4.02 0.04 -1.26 -4.35 135.00 132.74 2bbx s PRO 13 Ca 0.35 1.34 -0.18 0.00 0.04 0.00 0.00 61.00 62.55 2bbx s PRO 13 Cb 0.02 -1.91 -0.05 0.00 0.04 0.00 0.00 34.50 32.59 2bbx s PRO 13 CO 0.19 -1.52 1.08 0.00 0.04 0.00 0.00 177.00 176.79 2bbx h SER 15 N 0.96 0.00 0.00 0.00 4.64 -1.28 -3.27 113.55 114.60 2bbx h SER 15 Ca -0.49 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 2bbx h SER 15 Cb 1.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 2bbx h SER 15 CO 0.57 0.00 0.00 1.33 -0.87 0.00 0.00 176.83 177.86 2bbx n VAL 16 N -2.90 0.00 -3.35 0.95 0.24 -1.26 -4.99 118.33 107.02 2bbx n VAL 16 Ca -0.01 -0.20 -0.21 0.00 -2.04 0.00 0.00 64.34 61.88 2bbx n VAL 16 Cb 0.16 1.20 -0.02 0.00 -1.47 0.00 0.00 33.84 33.71 2bbx n VAL 16 CO 0.00 0.00 0.00 0.41 -2.14 0.00 0.00 176.83 175.10 2bbx n THR 17 N -0.27 -0.60 -1.22 3.34 -1.04 -1.24 -4.51 114.28 108.75 2bbx n THR 17 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 2bbx n THR 17 Cb 0.05 -1.23 0.00 0.00 -1.82 0.00 0.00 70.33 67.33 2bbx n THR 17 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2bbx n GLY 19 N 0.00 0.74 1.03 0.00 0.00 -1.03 -4.38 105.19 101.55 2bbx n GLY 19 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -2.11 2.06 -0.77 1.61 4.76 -1.26 -4.68 118.16 117.77 2bbx n LYS 20 Ca 0.00 -3.07 0.00 0.00 -2.87 0.00 0.00 58.31 52.37 2bbx n LYS 20 Cb 0.00 -1.80 0.00 0.00 -1.84 0.00 0.00 35.03 31.39 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 -1.00 2.92 3.42 0.72 0.00 -1.26 -4.96 105.19 105.03 2bbx n GLY 21 Ca 0.29 -1.08 -0.22 0.00 0.00 0.00 0.00 46.02 45.01 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 -2.65 2.22 0.23 2.61 -4.23 -1.26 -1.62 115.64 110.94 2bbx s THR 22 Ca 0.00 -2.31 0.06 0.00 -1.18 0.00 0.00 61.69 58.26 2bbx s THR 22 Cb 0.00 -2.19 -0.05 0.00 1.34 0.00 0.00 72.50 71.60 2bbx s THR 22 CO 0.00 -0.44 -0.07 0.00 -0.54 0.00 0.00 174.62 173.58 2bbx s ARG 23 N -3.46 1.38 0.13 3.99 1.70 -0.36 -0.77 118.95 121.56 2bbx s ARG 23 Ca 0.27 -1.67 -0.03 0.00 -0.47 0.00 0.00 55.73 53.82 2bbx s ARG 23 Cb -0.04 -0.93 -0.03 0.00 -0.57 0.00 0.00 34.95 33.38 2bbx s ARG 23 CO 0.12 0.04 0.11 -1.54 -1.08 0.00 0.00 175.30 172.95 2bbx s SER 24 N -3.34 0.25 0.20 -2.89 1.04 -1.26 -2.19 113.70 105.50 2bbx s SER 24 Ca 0.26 -1.09 -0.18 0.00 0.48 0.00 0.00 55.95 55.42 2bbx s SER 24 Cb 0.03 0.33 0.03 0.00 0.10 0.00 0.00 66.02 66.51 2bbx s SER 24 CO 0.08 -0.76 0.53 0.00 0.98 0.00 0.00 173.24 174.08 2bbx s ARG 25 N -4.01 1.39 0.25 4.02 1.70 -1.17 -1.94 118.95 119.18 2bbx s ARG 25 Ca 0.21 -0.84 0.04 0.00 -0.47 0.00 0.00 55.73 54.67 2bbx s ARG 25 Cb 0.06 0.53 -0.05 0.00 -0.57 0.00 0.00 34.95 34.92 2bbx s ARG 25 CO 0.00 -0.59 -0.01 0.15 -1.08 0.00 0.00 175.30 173.77 2bbx s LYS 26 N -3.87 1.41 0.14 3.89 1.02 -1.26 -2.50 119.74 118.57 2bbx s LYS 26 Ca 0.09 -1.72 -0.15 0.00 0.02 0.00 0.00 55.97 54.21 2bbx s LYS 26 Cb -0.01 -0.76 0.03 0.00 -0.52 0.00 0.00 37.83 36.57 2bbx s LYS 26 CO -0.03 -0.07 0.40 -0.98 -0.92 0.00 0.00 175.35 173.74 2bbx s ARG 27 N -3.83 1.12 -1.09 1.68 1.70 -0.98 -3.52 118.95 114.03 2bbx s ARG 27 Ca 0.29 -0.80 -0.12 0.00 -0.47 0.00 0.00 55.73 54.63 2bbx s ARG 27 Cb 0.05 0.46 0.22 0.00 -0.57 0.00 0.00 34.95 35.11 2bbx s ARG 27 CO 0.10 -0.44 1.18 -1.21 -1.08 0.00 0.00 175.30 173.85 2bbx s GLU 28 N -3.84 4.02 0.16 3.89 2.02 -1.26 -4.82 118.70 118.87 2bbx s GLU 28 Ca 0.06 -2.74 -0.34 0.00 0.02 0.00 0.00 54.97 51.97 2bbx s GLU 28 Cb 0.02 -4.76 -0.15 0.00 0.10 0.00 0.00 34.13 29.34 2bbx s GLU 28 CO -0.09 -1.49 1.40 0.44 0.02 0.00 0.00 175.26 175.54 2bbx n ILE 29 N 3.85 0.38 0.21 -1.63 -5.35 -1.26 -4.86 119.36 110.70 2bbx n ILE 29 Ca 0.27 -0.09 0.05 0.00 -0.27 0.00 0.00 62.75 62.71 2bbx n ILE 29 Cb 0.43 -1.20 0.47 0.00 -1.74 0.00 0.00 39.64 37.60 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 4.70 0.00 -8.00 7.28 -0.00 -1.82 -3.44 115.31 114.03 2bbx h LEU 30 Ca -0.45 0.00 -0.19 0.00 -0.00 0.00 0.00 57.88 57.23 2bbx h LEU 30 Cb 1.30 0.00 -0.21 0.00 -0.00 0.00 0.00 40.66 41.74 2bbx h LEU 30 CO 0.79 0.25 -0.71 -1.00 -0.00 0.00 0.00 178.44 177.77 2bbx s HIS 31 N -4.42 0.31 0.34 1.13 3.76 -1.26 -5.09 115.29 110.07 2bbx s HIS 31 Ca -0.03 -0.49 -0.29 0.00 -0.15 0.00 0.00 55.06 54.10 2bbx s HIS 31 Cb 0.15 -0.22 -0.11 0.00 1.11 0.00 0.00 32.58 33.52 2bbx s HIS 31 CO 0.70 -0.16 1.38 -2.00 -0.85 0.00 0.00 174.74 173.80 2bbx s GLU 32 N -1.39 4.27 0.00 1.40 2.12 -1.26 -3.69 118.70 120.14 2bbx s GLU 32 Ca -0.14 2.34 0.00 0.00 0.36 0.00 0.00 54.97 57.53 2bbx s GLU 32 Cb -0.09 -3.04 0.00 0.00 0.26 0.00 0.00 34.13 31.26 2bbx s GLU 32 CO -0.01 -0.32 0.00 0.41 -0.54 0.00 0.00 175.26 174.80 2bbx n GLY 33 N 0.78 2.35 3.79 -1.50 0.00 -1.26 -5.08 105.19 104.27 2bbx n GLY 33 Ca 0.01 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.94 2.70 0.00 0.00 2.01 -1.26 -4.91 115.64 111.24 2bbx s THR 35 Ca 0.60 0.50 0.00 0.00 0.31 0.00 0.00 61.69 63.10 2bbx s THR 35 Cb -0.16 -3.32 0.00 0.00 0.01 0.00 0.00 72.50 69.03 2bbx s THR 35 CO 0.55 0.04 0.57 -1.54 -0.69 0.00 0.00 174.62 173.54 2bbx n SER 36 N 3.98 1.00 -3.68 3.53 3.41 -1.26 -4.88 113.62 115.72 2bbx n SER 36 Ca 0.14 -1.30 -0.10 0.00 -0.26 0.00 0.00 58.87 57.34 2bbx n SER 36 Cb 0.39 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 64.25 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 -0.30 0.55 0.22 4.33 2.12 -1.26 -2.31 118.70 122.05 2bbx s GLU 37 Ca 0.00 0.91 -0.03 0.00 0.36 0.00 0.00 54.97 56.21 2bbx s GLU 37 Cb 0.00 0.11 -0.03 0.00 0.26 0.00 0.00 34.13 34.47 2bbx s GLU 37 CO 0.00 -0.13 0.22 0.96 -0.54 0.00 0.00 175.26 175.76 2bbx s ILE 38 N 1.18 0.00 0.05 -3.70 -5.25 -1.04 -5.04 121.20 107.39 2bbx s ILE 38 Ca -0.07 -1.86 -0.03 0.00 -0.99 0.00 0.00 60.65 57.69 2bbx s ILE 38 Cb -0.06 -2.44 -0.02 0.00 2.95 0.00 0.00 42.46 42.89 2bbx s ILE 38 CO -0.11 0.00 0.04 -1.10 -1.79 0.00 0.00 174.94 171.98 2bbx s GLN 39 N -4.09 0.61 0.17 0.37 -0.21 -1.26 -3.02 119.66 112.23 2bbx s GLN 39 Ca 0.35 -0.98 -0.18 0.00 0.02 0.00 0.00 55.36 54.57 2bbx s GLN 39 Cb 0.05 0.23 0.04 0.00 1.00 0.00 0.00 33.01 34.32 2bbx s GLN 39 CO 0.12 -0.14 0.49 -1.83 -2.12 0.00 0.00 175.29 171.81 2bbx s GLU 40 N -3.28 1.26 0.18 2.91 -1.05 -0.93 -5.00 118.70 112.79 2bbx s GLU 40 Ca 0.01 -0.75 -0.31 0.00 -0.15 0.00 0.00 54.97 53.76 2bbx s GLU 40 Cb 0.03 0.51 -0.10 0.00 -0.44 0.00 0.00 34.13 34.13 2bbx s GLU 40 CO -0.08 -0.52 1.56 -1.14 0.95 0.00 0.00 175.26 176.02 2bbx s GLN 41 N -3.83 4.21 0.96 -4.83 0.74 -1.26 -1.23 119.66 114.42 2bbx s GLN 41 Ca 0.06 2.37 -0.15 0.00 0.05 0.00 0.00 55.36 57.69 2bbx s GLN 41 Cb -0.00 -3.14 0.18 0.00 1.10 0.00 0.00 33.01 31.15 2bbx s GLN 41 CO -0.07 -0.59 1.22 0.00 -0.55 0.00 0.00 175.29 175.30 2bbx n GLU 43 N -3.83 1.77 -1.34 0.00 1.02 -1.26 -4.67 120.64 112.33 2bbx n GLU 43 Ca 0.12 -2.17 -0.30 0.00 -0.02 0.00 0.00 57.16 54.79 2bbx n GLU 43 Cb 0.60 -1.30 0.12 0.00 -0.02 0.00 0.00 31.44 30.84 2bbx n GLU 43 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 2bbx s GLU 44 N -2.18 1.49 0.16 3.49 0.41 -1.26 -4.89 118.70 115.93 2bbx s GLU 44 Ca 0.21 0.72 -0.05 0.00 -0.41 0.00 0.00 54.97 55.44 2bbx s GLU 44 Cb 0.18 -1.84 -0.03 0.00 -1.78 0.00 0.00 34.13 30.66 2bbx s GLU 44 CO 0.02 -2.05 0.18 -1.21 -0.49 0.00 0.00 175.26 171.71 2bbx s GLU 45 N -5.03 1.11 -0.37 1.61 2.02 -1.26 -2.48 118.70 114.30 2bbx s GLU 45 Ca 0.63 -1.37 -0.16 0.00 0.02 0.00 0.00 54.97 54.09 2bbx s GLU 45 Cb -0.17 0.31 0.02 0.00 0.10 0.00 0.00 34.13 34.40 2bbx s GLU 45 CO 0.56 -0.37 0.44 0.54 0.02 0.00 0.00 175.26 176.44 2bbx n ARG 46 N -0.19 -2.35 -1.47 1.61 1.74 -1.26 -4.62 116.66 110.11 2bbx n ARG 46 Ca -0.04 2.01 -0.43 0.00 -0.77 0.00 0.00 57.85 58.61 2bbx n ARG 46 Cb 0.64 -4.48 -0.00 0.00 -1.02 0.00 0.00 32.46 27.60 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 -1.46 2.26 0.00 0.00 0.04 -1.26 -5.06 135.00 129.52 2bbx s PRO 48 Ca 0.62 0.91 0.00 0.00 0.04 0.00 0.00 61.00 62.57 2bbx s PRO 48 Cb -0.68 -1.92 0.00 0.00 0.04 0.00 0.00 34.50 31.94 2bbx s PRO 48 CO 0.58 -1.57 0.22 -2.30 0.04 0.00 0.00 177.00 173.98