#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ltn s THR 2 N 0.00 1.41 0.19 2.52 2.01 -1.26 -5.13 115.64 115.37 2ltn s THR 2 Ca 0.00 -0.55 0.11 0.00 0.31 0.00 0.00 61.69 61.57 2ltn s THR 2 Cb 0.00 -1.33 -0.04 0.00 0.01 0.00 0.00 72.50 71.13 2ltn s THR 2 CO 0.00 0.43 -0.24 -0.44 -0.69 0.00 0.00 174.62 173.68 2ltn s SER 3 N 1.40 3.42 -0.04 3.53 0.01 -1.26 -5.14 113.70 115.63 2ltn s SER 3 Ca 0.02 -0.85 0.02 0.00 1.31 0.00 0.00 55.95 56.44 2ltn s SER 3 Cb -0.13 -0.25 0.01 0.00 0.21 0.00 0.00 66.02 65.86 2ltn s SER 3 CO -0.08 0.13 -0.08 -0.31 0.41 0.00 0.00 173.24 173.32 2ltn s TYR 4 N -1.60 0.93 0.05 2.43 2.02 -1.26 -5.15 117.35 114.76 2ltn s TYR 4 Ca 0.20 -0.26 0.04 0.00 -0.37 0.00 0.00 57.07 56.68 2ltn s TYR 4 Cb -0.08 -0.71 -0.02 0.00 -0.40 0.00 0.00 41.96 40.74 2ltn s TYR 4 CO 0.09 -0.15 -0.13 0.95 -1.57 0.00 0.00 175.55 174.74 2ltn s THR 5 N 0.52 0.98 -0.09 -0.71 -4.23 -1.26 -5.15 115.64 105.71 2ltn s THR 5 Ca -0.08 -1.04 -0.08 0.00 -1.18 0.00 0.00 61.69 59.31 2ltn s THR 5 Cb -0.12 -0.93 0.02 0.00 1.34 0.00 0.00 72.50 72.82 2ltn s THR 5 CO 0.01 -0.11 0.23 -0.22 -0.54 0.00 0.00 174.62 173.99 2ltn s LEU 6 N -1.30 1.11 0.02 4.79 2.96 -1.26 -5.17 118.68 119.83 2ltn s LEU 6 Ca -0.01 0.46 -0.02 0.00 -0.22 0.00 0.00 54.13 54.34 2ltn s LEU 6 Cb -0.08 0.79 -0.02 0.00 0.50 0.00 0.00 46.19 47.38 2ltn s LEU 6 CO 0.01 -0.08 0.02 -0.44 -1.32 0.00 0.00 176.35 174.54 2ltn s SER 7 N 0.15 0.22 0.18 3.68 0.01 -1.26 -5.16 113.70 111.51 2ltn s SER 7 Ca -0.00 -0.50 -0.24 0.00 1.31 0.00 0.00 55.95 56.52 2ltn s SER 7 Cb -0.02 0.15 0.06 0.00 0.21 0.00 0.00 66.02 66.42 2ltn s SER 7 CO 0.00 -0.37 0.75 -0.62 0.41 0.00 0.00 173.24 173.41 2ltn s ASP 8 N -1.68 -0.36 -0.18 2.44 -1.08 -1.26 -5.14 116.67 109.40 2ltn s ASP 8 Ca -0.12 -0.28 -0.17 0.00 -0.52 0.00 0.00 52.55 51.45 2ltn s ASP 8 Cb -0.07 0.59 -0.04 0.00 -1.46 0.00 0.00 42.92 41.95 2ltn s ASP 8 CO -0.02 -1.04 0.46 -0.69 0.52 0.00 0.00 175.17 174.40 2ltn s VAL 9 N -3.63 5.16 -0.09 1.11 1.01 -1.26 -5.06 120.40 117.64 2ltn s VAL 9 Ca 0.07 0.85 -0.01 0.00 0.00 0.00 0.00 61.98 62.90 2ltn s VAL 9 Cb -0.03 -3.79 0.03 0.00 0.00 0.00 0.00 36.38 32.59 2ltn s VAL 9 CO -0.03 0.24 -0.04 -0.69 0.00 0.00 0.00 175.10 174.58 2ltn s VAL 10 N 1.28 0.70 -1.07 2.92 1.01 -1.26 -5.06 120.40 118.92 2ltn s VAL 10 Ca 0.22 -0.10 -0.17 0.00 0.00 0.00 0.00 61.98 61.94 2ltn s VAL 10 Cb -0.15 -0.78 0.14 0.00 0.00 0.00 0.00 36.38 35.59 2ltn s VAL 10 CO 0.09 0.31 1.32 -0.55 0.00 0.00 0.00 175.10 176.26 2ltn s SER 11 N 1.72 6.82 0.28 3.32 0.15 -1.26 -4.86 113.70 119.87 2ltn s SER 11 Ca 0.03 -2.42 0.01 0.00 0.70 0.00 0.00 55.95 54.27 2ltn s SER 11 Cb -0.13 -2.42 0.66 0.00 -1.71 0.00 0.00 66.02 62.42 2ltn s SER 11 CO -0.06 -0.97 1.68 0.25 1.20 0.00 0.00 173.24 175.34 2ltn h LEU 12 N 10.43 0.17 -1.88 3.45 5.85 -1.97 -0.94 115.31 130.43 2ltn h LEU 12 Ca 0.24 0.16 0.08 0.00 0.84 0.00 0.00 57.88 59.21 2ltn h LEU 12 Cb 0.95 0.18 -0.02 0.00 0.37 0.00 0.00 40.66 42.14 2ltn h LEU 12 CO 1.21 -0.05 0.26 0.50 -0.34 0.00 0.00 178.44 180.02 2ltn h LYS 13 N 0.32 0.14 -0.00 1.25 3.64 -1.89 -0.44 116.57 119.59 2ltn h LYS 13 Ca 0.52 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.90 2ltn h LYS 13 Cb 0.99 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.78 2ltn h LYS 13 CO -0.56 0.10 -0.35 -0.25 -2.27 0.00 0.00 179.45 176.12 2ltn n ASP 14 N -4.46 0.81 -0.06 4.20 8.00 -0.37 -4.54 116.55 120.13 2ltn n ASP 14 Ca 0.05 -0.63 -0.12 0.00 0.71 0.00 0.00 54.79 54.80 2ltn n ASP 14 Cb 0.34 0.18 -0.05 0.00 -0.02 0.00 0.00 41.12 41.57 2ltn n ASP 14 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 2ltn n VAL 15 N -0.99 0.68 -3.99 2.53 0.31 -0.54 -5.06 118.33 111.28 2ltn n VAL 15 Ca 0.10 -0.19 -0.22 0.00 -0.01 0.00 0.00 64.34 64.02 2ltn n VAL 15 Cb 0.34 -1.50 -0.04 0.00 -0.91 0.00 0.00 33.84 31.73 2ltn n VAL 15 CO 0.00 0.00 0.00 0.68 -1.32 0.00 0.00 176.83 176.19 2ltn s VAL 16 N -2.23 4.00 1.00 2.52 -7.23 -0.29 -5.11 120.40 113.06 2ltn s VAL 16 Ca -0.17 -1.41 -0.12 0.00 -1.81 0.00 0.00 61.98 58.47 2ltn s VAL 16 Cb 0.06 -3.28 0.19 0.00 0.56 0.00 0.00 36.38 33.90 2ltn s VAL 16 CO 0.23 -0.27 1.09 -2.16 -0.31 0.00 0.00 175.10 173.68 2ltn s PRO 17 N -3.90 0.44 0.35 4.82 0.04 -1.26 -4.74 135.00 130.75 2ltn s PRO 17 Ca 0.36 0.56 0.03 0.00 0.04 0.00 0.00 61.00 61.99 2ltn s PRO 17 Cb -0.07 -1.73 0.65 0.00 0.04 0.00 0.00 34.50 33.39 2ltn s PRO 17 CO 0.25 -2.73 2.01 1.49 0.04 0.00 0.00 177.00 178.06 2ltn h GLU 18 N -1.90 0.80 -5.66 4.56 4.81 -1.97 -3.39 114.58 111.83 2ltn h GLU 18 Ca -0.54 -0.05 -0.66 0.00 -0.13 0.00 0.00 59.36 57.97 2ltn h GLU 18 Cb 1.32 -0.18 -0.24 0.00 0.63 0.00 0.00 28.75 30.29 2ltn h GLU 18 CO 0.57 0.54 -0.74 -1.58 -0.73 0.00 0.00 179.01 177.07 2ltn s TRP 19 N -5.69 2.85 0.28 0.92 0.52 -1.26 -5.13 118.94 111.43 2ltn s TRP 19 Ca -0.10 -0.37 0.02 0.00 0.02 0.00 0.00 56.10 55.67 2ltn s TRP 19 Cb 0.18 -1.80 -0.05 0.00 -1.15 0.00 0.00 33.47 30.65 2ltn s TRP 19 CO 0.76 -0.01 0.09 0.14 0.02 0.00 0.00 176.95 177.95 2ltn s VAL 20 N -0.07 0.70 0.06 4.03 -7.23 -1.26 -5.14 120.40 111.49 2ltn s VAL 20 Ca -0.01 -2.00 0.08 0.00 -1.81 0.00 0.00 61.98 58.23 2ltn s VAL 20 Cb -0.14 -2.67 -0.03 0.00 0.56 0.00 0.00 36.38 34.10 2ltn s VAL 20 CO 0.03 0.00 -0.19 -0.13 -0.31 0.00 0.00 175.10 174.51 2ltn s ARG 21 N -3.99 1.98 0.23 4.82 0.52 -1.26 -5.15 118.95 116.10 2ltn s ARG 21 Ca 0.37 -1.04 0.09 0.00 -0.52 0.00 0.00 55.73 54.63 2ltn s ARG 21 Cb 0.08 -2.15 -0.04 0.00 0.52 0.00 0.00 34.95 33.36 2ltn s ARG 21 CO 0.14 0.52 -0.04 0.96 0.02 0.00 0.00 175.30 176.90 2ltn s ILE 22 N -0.96 3.34 -0.88 1.52 -4.36 -1.26 -5.12 121.20 113.48 2ltn s ILE 22 Ca 0.15 -1.80 0.00 0.00 -0.26 0.00 0.00 60.65 58.74 2ltn s ILE 22 Cb -0.10 -2.73 0.00 0.00 1.25 0.00 0.00 42.46 40.88 2ltn s ILE 22 CO 0.06 -0.26 0.00 0.61 0.24 0.00 0.00 174.94 175.59 2ltn n GLY 23 N -0.49 -1.29 3.37 6.27 0.00 -1.26 -5.16 105.19 106.63 2ltn n GLY 23 Ca -0.08 -0.91 -0.25 0.00 0.00 0.00 0.00 46.02 44.78 2ltn n GLY 23 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2ltn s PHE 24 N -2.81 2.08 0.03 1.61 0.40 -1.26 -5.15 117.98 112.88 2ltn s PHE 24 Ca 0.00 -0.40 0.01 0.00 -0.60 0.00 0.00 56.93 55.94 2ltn s PHE 24 Cb 0.00 -1.06 -0.02 0.00 0.51 0.00 0.00 43.02 42.45 2ltn s PHE 24 CO 0.00 0.39 -0.05 -1.54 0.70 0.00 0.00 175.22 174.72 2ltn s SER 25 N -2.51 0.55 0.00 1.36 1.04 -1.26 -5.16 113.70 107.73 2ltn s SER 25 Ca 0.17 -0.51 -0.07 0.00 0.48 0.00 0.00 55.95 56.01 2ltn s SER 25 Cb -0.08 0.06 0.00 0.00 0.10 0.00 0.00 66.02 66.11 2ltn s SER 25 CO 0.08 -0.24 0.14 0.00 0.98 0.00 0.00 173.24 174.20 2ltn s ALA 26 N -1.37 -0.34 0.09 5.32 0.00 -1.26 -5.17 121.76 119.02 2ltn s ALA 26 Ca -0.12 -0.11 -0.06 0.00 0.00 0.00 0.00 51.96 51.67 2ltn s ALA 26 Cb -0.10 0.10 -0.01 0.00 0.00 0.00 0.00 23.12 23.11 2ltn s ALA 26 CO -0.00 -0.21 0.14 0.95 0.00 0.00 0.00 175.76 176.64 2ltn s THR 27 N -1.34 0.16 0.22 0.00 -4.23 -1.26 -5.13 115.64 104.06 2ltn s THR 27 Ca -0.14 -1.38 0.04 0.00 -1.18 0.00 0.00 61.69 59.03 2ltn s THR 27 Cb -0.07 -1.44 -0.05 0.00 1.34 0.00 0.00 72.50 72.27 2ltn s THR 27 CO 0.02 -0.71 -0.03 0.42 -0.54 0.00 0.00 174.62 173.77 2ltn s THR 28 N -3.89 1.15 0.00 3.99 -4.23 -1.26 -4.92 115.64 106.48 2ltn s THR 28 Ca 0.07 -2.06 0.00 0.00 -1.18 0.00 0.00 61.69 58.52 2ltn s THR 28 Cb 0.06 -2.25 0.00 0.00 1.34 0.00 0.00 72.50 71.65 2ltn s THR 28 CO -0.10 -0.41 0.00 0.61 -0.54 0.00 0.00 174.62 174.18 2ltn n GLY 29 N -0.39 4.92 0.28 3.99 0.00 -1.26 -5.00 105.19 107.74 2ltn n GLY 29 Ca -0.06 -0.93 -0.01 0.00 0.00 0.00 0.00 46.02 45.01 2ltn n GLY 29 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ltn h ALA 30 N 1.00 1.30 -2.84 4.61 0.00 -2.07 -3.40 119.26 117.86 2ltn h ALA 30 Ca 0.00 -0.21 -0.61 0.00 0.00 0.00 0.00 54.91 54.10 2ltn h ALA 30 Cb 0.00 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.58 2ltn h ALA 30 CO 0.00 0.48 -0.46 -1.21 0.00 0.00 0.00 179.25 178.06 2ltn s GLU 31 N -5.04 3.47 0.33 0.00 2.02 -1.26 -5.11 118.70 113.12 2ltn s GLU 31 Ca -0.08 -0.39 -0.11 0.00 0.02 0.00 0.00 54.97 54.41 2ltn s GLU 31 Cb 0.15 -3.00 0.02 0.00 0.10 0.00 0.00 34.13 31.41 2ltn s GLU 31 CO 0.78 0.57 0.61 1.52 0.02 0.00 0.00 175.26 178.76 2ltn s TYR 32 N -1.56 0.49 -0.07 1.61 1.13 -1.26 -4.81 117.35 112.88 2ltn s TYR 32 Ca 0.36 -0.92 -0.31 0.00 -1.41 0.00 0.00 57.07 54.79 2ltn s TYR 32 Cb -0.13 0.36 0.12 0.00 -1.10 0.00 0.00 41.96 41.21 2ltn s TYR 32 CO 0.27 -1.27 1.01 0.00 -2.51 0.00 0.00 175.55 173.06 2ltn s ALA 33 N -3.06 -1.92 0.37 9.51 0.00 -1.26 -5.07 121.76 120.34 2ltn s ALA 33 Ca 0.22 1.22 -0.21 0.00 0.00 0.00 0.00 51.96 53.18 2ltn s ALA 33 Cb -0.03 0.22 -0.10 0.00 0.00 0.00 0.00 23.12 23.21 2ltn s ALA 33 CO 0.14 -0.66 0.90 0.00 0.00 0.00 0.00 175.76 176.14 2ltn s ALA 34 N -2.86 3.15 -0.15 0.00 0.00 -1.26 -4.93 121.76 115.72 2ltn s ALA 34 Ca 0.07 0.37 -0.00 0.00 0.00 0.00 0.00 51.96 52.39 2ltn s ALA 34 Cb -0.01 -3.08 0.03 0.00 0.00 0.00 0.00 23.12 20.06 2ltn s ALA 34 CO -0.07 0.19 -0.08 -1.01 0.00 0.00 0.00 175.76 174.78 2ltn s HIS 35 N -1.95 1.79 0.07 0.00 3.76 -1.26 -5.13 115.29 112.57 2ltn s HIS 35 Ca 0.56 -1.05 0.03 0.00 -0.15 0.00 0.00 55.06 54.45 2ltn s HIS 35 Cb -0.12 -1.37 -0.03 0.00 1.11 0.00 0.00 32.58 32.16 2ltn s HIS 35 CO 0.17 -0.61 -0.09 -1.21 -0.85 0.00 0.00 174.74 172.15 2ltn s GLU 36 N 1.61 0.69 -0.09 1.40 2.02 -1.26 -5.07 118.70 118.00 2ltn s GLU 36 Ca 0.03 -0.96 0.04 0.00 0.02 0.00 0.00 54.97 54.10 2ltn s GLU 36 Cb -0.14 -0.42 -0.01 0.00 0.10 0.00 0.00 34.13 33.66 2ltn s GLU 36 CO -0.08 0.07 -0.22 0.08 0.02 0.00 0.00 175.26 175.13 2ltn s VAL 37 N -1.90 2.27 -0.12 2.63 1.01 -1.26 -5.03 120.40 118.00 2ltn s VAL 37 Ca -0.02 -0.96 0.18 0.00 0.00 0.00 0.00 61.98 61.17 2ltn s VAL 37 Cb -0.06 -1.87 -0.26 0.00 0.00 0.00 0.00 36.38 34.19 2ltn s VAL 37 CO -0.00 0.56 0.20 0.18 0.00 0.00 0.00 175.10 176.04 2ltn n LEU 38 N 3.31 0.00 -3.50 3.92 4.77 -1.26 -5.04 117.00 119.21 2ltn n LEU 38 Ca -0.18 0.00 -0.15 0.00 -0.03 0.00 0.00 56.01 55.65 2ltn n LEU 38 Cb 0.53 0.29 -0.04 0.00 -2.33 0.00 0.00 43.42 41.86 2ltn n LEU 38 CO 0.28 0.29 0.48 -0.94 -1.33 0.00 0.00 177.39 176.17 2ltn s SER 39 N -4.89 -0.58 -0.18 -1.43 1.04 -1.26 -5.18 113.70 101.23 2ltn s SER 39 Ca -0.08 0.43 -0.10 0.00 0.48 0.00 0.00 55.95 56.68 2ltn s SER 39 Cb 0.08 0.52 0.06 0.00 0.10 0.00 0.00 66.02 66.78 2ltn s SER 39 CO 0.78 -0.68 0.43 0.86 0.98 0.00 0.00 173.24 175.60 2ltn s TRP 40 N -2.04 -0.62 0.04 5.02 -0.00 -1.26 -5.16 118.94 114.93 2ltn s TRP 40 Ca -0.05 1.33 0.03 0.00 -0.00 0.00 0.00 56.10 57.40 2ltn s TRP 40 Cb -0.00 0.28 -0.02 0.00 -0.00 0.00 0.00 33.47 33.73 2ltn s TRP 40 CO 0.01 -0.35 -0.09 -1.54 -0.00 0.00 0.00 176.95 174.98 2ltn s SER 41 N 1.37 1.07 -0.08 5.86 1.04 -1.26 -5.16 113.70 116.54 2ltn s SER 41 Ca -0.09 -0.52 -0.09 0.00 0.48 0.00 0.00 55.95 55.73 2ltn s SER 41 Cb -0.08 -0.00 0.02 0.00 0.10 0.00 0.00 66.02 66.06 2ltn s SER 41 CO -0.13 -0.14 0.24 0.12 0.98 0.00 0.00 173.24 174.31 2ltn s PHE 42 N -1.22 -0.24 -0.06 5.02 5.36 -1.26 -5.16 117.98 120.42 2ltn s PHE 42 Ca -0.07 0.57 -0.04 0.00 -0.96 0.00 0.00 56.93 56.43 2ltn s PHE 42 Cb -0.09 0.08 0.03 0.00 -0.34 0.00 0.00 43.02 42.69 2ltn s PHE 42 CO 0.01 -0.15 0.16 -1.58 -1.46 0.00 0.00 175.22 172.19 2ltn s HIS 43 N -0.07 -0.18 0.07 10.12 5.65 -1.26 -5.16 115.29 124.46 2ltn s HIS 43 Ca -0.02 0.46 0.03 0.00 0.25 0.00 0.00 55.06 55.79 2ltn s HIS 43 Cb -0.02 0.01 -0.03 0.00 -1.18 0.00 0.00 32.58 31.35 2ltn s HIS 43 CO 0.01 -0.12 -0.10 -1.54 -0.65 0.00 0.00 174.74 172.33 2ltn s SER 44 N 0.56 1.29 -0.08 9.88 1.04 -1.26 -5.14 113.70 119.99 2ltn s SER 44 Ca -0.04 -0.68 -0.03 0.00 0.48 0.00 0.00 55.95 55.67 2ltn s SER 44 Cb -0.06 0.01 0.05 0.00 0.10 0.00 0.00 66.02 66.12 2ltn s SER 44 CO -0.03 -0.21 0.15 -0.70 0.98 0.00 0.00 173.24 173.44 2ltn s GLU 45 N -2.17 0.03 -0.27 4.02 2.12 -1.26 -5.12 118.70 116.04 2ltn s GLU 45 Ca -0.01 0.53 -0.05 0.00 0.36 0.00 0.00 54.97 55.80 2ltn s GLU 45 Cb -0.07 -0.33 0.01 0.00 0.26 0.00 0.00 34.13 33.99 2ltn s GLU 45 CO 0.00 -0.32 0.03 -1.17 -0.54 0.00 0.00 175.26 173.26 2ltn s LEU 46 N 2.28 3.51 0.00 2.70 2.96 -1.26 -4.99 118.68 123.89 2ltn s LEU 46 Ca 0.03 -0.63 0.26 0.00 -0.22 0.00 0.00 54.13 53.58 2ltn s LEU 46 Cb -0.12 -1.82 0.73 0.00 0.50 0.00 0.00 46.19 45.48 2ltn s LEU 46 CO -0.06 -0.13 1.56 -1.20 -1.32 0.00 0.00 176.35 175.20 2ltn n SER 47 N 4.82 0.59 0.00 3.68 7.64 -1.26 -5.38 113.62 123.71 2ltn n SER 47 Ca -0.16 -0.38 0.00 0.00 1.01 0.00 0.00 58.87 59.34 2ltn n SER 47 Cb 0.49 0.11 0.00 0.00 -1.01 0.00 0.00 64.21 63.79 2ltn n SER 47 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64