#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1les s THR 2 N 0.00 1.59 0.11 1.55 2.01 -1.26 -5.14 115.64 114.51 1les s THR 2 Ca 0.00 -0.78 0.00 0.00 0.31 0.00 0.00 61.69 61.23 1les s THR 2 Cb 0.00 -1.39 -0.04 0.00 0.01 0.00 0.00 72.50 71.08 1les s THR 2 CO 0.00 0.46 0.00 -0.94 -0.69 0.00 0.00 174.62 173.45 1les s SER 3 N 0.27 0.71 -0.02 3.53 1.04 -1.26 -5.15 113.70 112.82 1les s SER 3 Ca -0.11 -1.11 -0.01 0.00 0.48 0.00 0.00 55.95 55.20 1les s SER 3 Cb -0.15 0.20 0.01 0.00 0.10 0.00 0.00 66.02 66.18 1les s SER 3 CO 0.05 -0.61 0.04 -0.31 0.98 0.00 0.00 173.24 173.39 1les s TYR 4 N -3.85 -0.04 0.06 5.02 1.51 -1.26 -5.16 117.35 113.63 1les s TYR 4 Ca 0.18 0.13 0.05 0.00 -1.01 0.00 0.00 57.07 56.41 1les s TYR 4 Cb 0.07 -0.02 -0.03 0.00 -0.11 0.00 0.00 41.96 41.87 1les s TYR 4 CO -0.02 -0.04 -0.14 0.99 -1.11 0.00 0.00 175.55 175.23 1les s THR 5 N 0.22 1.09 -0.11 -0.71 2.01 -1.26 -5.14 115.64 111.74 1les s THR 5 Ca -0.02 -1.16 -0.11 0.00 0.31 0.00 0.00 61.69 60.72 1les s THR 5 Cb -0.03 -1.03 0.03 0.00 0.01 0.00 0.00 72.50 71.49 1les s THR 5 CO -0.01 -0.13 0.30 -0.22 -0.69 0.00 0.00 174.62 173.88 1les s LEU 6 N -1.46 0.84 0.04 4.42 2.96 -1.26 -5.17 118.68 119.05 1les s LEU 6 Ca -0.01 0.60 0.01 0.00 -0.22 0.00 0.00 54.13 54.51 1les s LEU 6 Cb -0.09 1.05 -0.02 0.00 0.50 0.00 0.00 46.19 47.62 1les s LEU 6 CO 0.02 -0.11 -0.06 0.54 -1.32 0.00 0.00 176.35 175.42 1les s ASN 7 N 0.12 0.62 0.02 3.68 4.22 -1.26 -5.17 114.94 117.18 1les s ASN 7 Ca -0.00 -0.59 -0.22 0.00 -2.14 0.00 0.00 52.86 49.90 1les s ASN 7 Cb -0.02 0.08 0.05 0.00 1.28 0.00 0.00 41.25 42.63 1les s ASN 7 CO 0.01 -0.28 0.49 -0.70 -2.04 0.00 0.00 177.10 174.57 1les s GLU 8 N -1.85 0.97 -0.24 3.55 2.56 -1.26 -5.13 118.70 117.30 1les s GLU 8 Ca -0.10 -0.18 -0.23 0.00 0.00 0.00 0.00 54.97 54.46 1les s GLU 8 Cb -0.08 0.44 -0.01 0.00 2.00 0.00 0.00 34.13 36.48 1les s GLU 8 CO -0.01 -0.33 0.77 0.08 -0.56 0.00 0.00 175.26 175.21 1les s VAL 9 N -2.12 4.88 -0.22 3.70 1.01 -1.26 -5.03 120.40 121.37 1les s VAL 9 Ca -0.07 1.44 -0.00 0.00 0.00 0.00 0.00 61.98 63.35 1les s VAL 9 Cb -0.01 -4.06 0.06 0.00 0.00 0.00 0.00 36.38 32.36 1les s VAL 9 CO 0.01 -0.04 -0.04 -0.69 0.00 0.00 0.00 175.10 174.34 1les s VAL 10 N 2.70 1.31 -1.22 2.92 1.01 -1.26 -5.05 120.40 120.81 1les s VAL 10 Ca 0.32 -1.04 -0.18 0.00 0.00 0.00 0.00 61.98 61.08 1les s VAL 10 Cb -0.15 -1.61 -0.02 0.00 0.00 0.00 0.00 36.38 34.60 1les s VAL 10 CO 0.08 -0.09 1.97 -0.81 0.00 0.00 0.00 175.10 176.25 1les n PRO 11 N 4.76 2.45 -0.30 2.72 -0.04 -1.26 -4.82 135.00 138.51 1les n PRO 11 Ca -0.12 -2.62 0.14 0.00 -0.04 0.00 0.00 63.50 60.86 1les n PRO 11 Cb 0.45 -3.35 0.29 0.00 -0.04 0.00 0.00 33.50 30.85 1les n PRO 11 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 1les h LEU 12 N 12.92 -0.09 -1.51 1.53 5.85 -1.98 0.14 115.31 132.18 1les h LEU 12 Ca 0.44 0.21 0.18 0.00 0.84 0.00 0.00 57.88 59.55 1les h LEU 12 Cb 0.77 0.31 -0.06 0.00 0.37 0.00 0.00 40.66 42.04 1les h LEU 12 CO 1.66 -0.20 0.56 0.50 -0.34 0.00 0.00 178.44 180.62 1les h LYS 13 N 0.16 0.43 -0.01 1.25 3.64 -1.87 0.42 116.57 120.59 1les h LYS 13 Ca 0.56 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.92 1les h LYS 13 Cb 1.16 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.88 1les h LYS 13 CO -0.70 0.28 -0.32 -0.25 -2.27 0.00 0.00 179.45 176.19 1les n ASP 14 N -4.51 0.93 -0.08 4.20 8.00 0.03 -4.47 116.55 120.65 1les n ASP 14 Ca 0.17 -0.77 -0.17 0.00 0.71 0.00 0.00 54.79 54.73 1les n ASP 14 Cb 0.61 0.17 -0.06 0.00 -0.02 0.00 0.00 41.12 41.83 1les n ASP 14 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 1les n VAL 15 N -0.82 0.95 -4.05 2.53 0.31 0.02 -5.06 118.33 112.21 1les n VAL 15 Ca 0.11 -0.21 -0.24 0.00 -0.01 0.00 0.00 64.34 63.99 1les n VAL 15 Cb 0.35 -1.75 -0.04 0.00 -0.91 0.00 0.00 33.84 31.49 1les n VAL 15 CO 0.00 0.00 0.00 0.68 -1.32 0.00 0.00 176.83 176.19 1les s VAL 16 N -2.32 4.77 1.02 2.52 -7.23 -0.47 -5.12 120.40 113.57 1les s VAL 16 Ca -0.23 -1.11 -0.12 0.00 -1.81 0.00 0.00 61.98 58.70 1les s VAL 16 Cb 0.09 -3.52 0.20 0.00 0.56 0.00 0.00 36.38 33.70 1les s VAL 16 CO 0.29 -0.24 1.08 -2.84 -0.31 0.00 0.00 175.10 173.09 1les s PRO 17 N -3.57 0.26 0.33 4.82 0.02 -1.26 -4.76 135.00 130.84 1les s PRO 17 Ca 0.33 0.62 0.01 0.00 0.02 0.00 0.00 61.00 61.98 1les s PRO 17 Cb -0.09 -1.71 0.58 0.00 0.02 0.00 0.00 34.50 33.30 1les s PRO 17 CO 0.26 -2.87 1.99 0.93 -0.33 0.00 0.00 177.00 176.97 1les h GLU 18 N -2.00 0.91 -5.83 5.54 5.08 -1.98 -3.40 114.58 112.90 1les h GLU 18 Ca -0.55 -0.05 -0.67 0.00 -1.00 0.00 0.00 59.36 57.08 1les h GLU 18 Cb 1.32 -0.21 -0.23 0.00 0.50 0.00 0.00 28.75 30.14 1les h GLU 18 CO 0.56 0.60 -0.73 -1.58 -1.00 0.00 0.00 179.01 176.86 1les s TRP 19 N -5.79 2.86 0.20 4.33 0.52 -1.26 -5.13 118.94 114.66 1les s TRP 19 Ca -0.11 -0.25 -0.03 0.00 0.02 0.00 0.00 56.10 55.73 1les s TRP 19 Cb 0.18 -1.77 -0.03 0.00 -1.15 0.00 0.00 33.47 30.70 1les s TRP 19 CO 0.78 0.09 0.19 0.14 0.02 0.00 0.00 176.95 178.16 1les s VAL 20 N -0.29 0.01 0.02 4.03 -7.23 -1.26 -5.15 120.40 110.53 1les s VAL 20 Ca 0.03 -1.89 0.09 0.00 -1.81 0.00 0.00 61.98 58.40 1les s VAL 20 Cb -0.13 -2.42 -0.03 0.00 0.56 0.00 0.00 36.38 34.36 1les s VAL 20 CO 0.03 -0.02 -0.26 -0.13 -0.31 0.00 0.00 175.10 174.40 1les s ARG 21 N -4.13 1.90 0.16 4.82 0.52 -1.26 -5.15 118.95 115.82 1les s ARG 21 Ca 0.35 -1.04 0.07 0.00 -0.52 0.00 0.00 55.73 54.59 1les s ARG 21 Cb 0.06 -1.99 -0.04 0.00 0.52 0.00 0.00 34.95 33.50 1les s ARG 21 CO 0.11 0.53 0.01 0.96 0.02 0.00 0.00 175.30 176.92 1les s ILE 22 N -0.73 3.80 0.00 1.52 -4.36 -1.26 -5.12 121.20 115.05 1les s ILE 22 Ca 0.11 -1.34 0.00 0.00 -0.26 0.00 0.00 60.65 59.16 1les s ILE 22 Cb -0.10 -2.89 0.00 0.00 1.25 0.00 0.00 42.46 40.72 1les s ILE 22 CO 0.01 -0.08 0.00 0.61 0.24 0.00 0.00 174.94 175.72 1les n GLY 23 N -0.03 0.65 3.26 6.27 0.00 -1.26 -5.16 105.19 108.92 1les n GLY 23 Ca -0.10 -0.82 -0.23 0.00 0.00 0.00 0.00 46.02 44.88 1les n GLY 23 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1les s PHE 24 N -2.97 1.68 0.03 1.61 0.08 -1.26 -5.15 117.98 112.00 1les s PHE 24 Ca 0.00 -0.42 0.01 0.00 0.12 0.00 0.00 56.93 56.64 1les s PHE 24 Cb 0.00 -0.93 -0.02 0.00 -0.57 0.00 0.00 43.02 41.50 1les s PHE 24 CO 0.00 0.17 -0.05 0.45 -0.10 0.00 0.00 175.22 175.70 1les s SER 25 N -1.85 0.50 -0.12 1.36 0.15 -1.26 -5.16 113.70 107.32 1les s SER 25 Ca 0.05 -0.48 -0.20 0.00 0.70 0.00 0.00 55.95 56.02 1les s SER 25 Cb -0.10 0.06 0.05 0.00 -1.71 0.00 0.00 66.02 64.32 1les s SER 25 CO 0.04 -0.23 0.50 0.00 1.20 0.00 0.00 173.24 174.75 1les s ALA 26 N -1.30 -1.27 0.20 5.45 0.00 -1.26 -5.17 121.76 118.41 1les s ALA 26 Ca -0.12 1.14 -0.01 0.00 0.00 0.00 0.00 51.96 52.97 1les s ALA 26 Cb -0.09 -0.42 -0.04 0.00 0.00 0.00 0.00 23.12 22.57 1les s ALA 26 CO -0.00 -0.28 0.13 0.95 0.00 0.00 0.00 175.76 176.56 1les s THR 27 N -0.47 0.01 0.28 0.00 -4.23 -1.26 -5.11 115.64 104.85 1les s THR 27 Ca -0.06 -1.98 0.03 0.00 -1.18 0.00 0.00 61.69 58.50 1les s THR 27 Cb -0.03 -2.46 -0.04 0.00 1.34 0.00 0.00 72.50 71.31 1les s THR 27 CO 0.04 -0.03 0.17 0.42 -0.54 0.00 0.00 174.62 174.67 1les s THR 28 N -4.15 0.20 0.00 3.99 -4.23 -1.26 -4.88 115.64 105.31 1les s THR 28 Ca 0.38 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.89 1les s THR 28 Cb 0.07 -2.51 0.00 0.00 1.34 0.00 0.00 72.50 71.39 1les s THR 28 CO 0.11 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.80 1les n GLY 29 N -0.50 3.33 0.19 3.99 0.00 -1.26 -4.96 105.19 105.97 1les n GLY 29 Ca 0.02 -0.13 0.05 0.00 0.00 0.00 0.00 46.02 45.96 1les n GLY 29 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1les h ALA 30 N 1.60 1.14 -1.00 4.61 0.00 -2.08 -3.43 119.26 120.10 1les h ALA 30 Ca 0.00 -0.34 -0.56 0.00 0.00 0.00 0.00 54.91 54.01 1les h ALA 30 Cb 0.00 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 17.68 1les h ALA 30 CO 0.00 0.46 -0.37 -1.21 0.00 0.00 0.00 179.25 178.14 1les s GLU 31 N -3.85 2.31 0.24 0.00 2.02 -1.26 -5.14 118.70 113.02 1les s GLU 31 Ca -0.01 -1.88 -0.21 0.00 0.02 0.00 0.00 54.97 52.88 1les s GLU 31 Cb 0.12 -2.12 0.06 0.00 0.10 0.00 0.00 34.13 32.29 1les s GLU 31 CO 0.69 -0.41 0.91 -0.59 0.02 0.00 0.00 175.26 175.89 1les s PHE 32 N -2.67 -0.00 -0.17 1.61 -0.12 -1.26 -4.72 117.98 110.64 1les s PHE 32 Ca 0.38 -0.45 -0.35 0.00 -0.05 0.00 0.00 56.93 56.46 1les s PHE 32 Cb -0.01 0.72 0.14 0.00 -0.63 0.00 0.00 43.02 43.24 1les s PHE 32 CO 0.23 -1.11 1.28 0.00 -0.05 0.00 0.00 175.22 175.56 1les s ALA 33 N -2.73 -2.17 -0.03 1.99 0.00 -1.26 -5.08 121.76 112.48 1les s ALA 33 Ca 0.16 1.44 -0.18 0.00 0.00 0.00 0.00 51.96 53.38 1les s ALA 33 Cb -0.03 -0.06 -0.05 0.00 0.00 0.00 0.00 23.12 22.97 1les s ALA 33 CO 0.06 -0.71 0.50 0.00 0.00 0.00 0.00 175.76 175.62 1les s ALA 34 N -2.30 3.55 -0.15 0.00 0.00 -1.26 -4.91 121.76 116.69 1les s ALA 34 Ca 0.11 -0.10 0.01 0.00 0.00 0.00 0.00 51.96 51.98 1les s ALA 34 Cb 0.01 -2.61 0.02 0.00 0.00 0.00 0.00 23.12 20.54 1les s ALA 34 CO -0.04 0.22 -0.19 -1.01 0.00 0.00 0.00 175.76 174.75 1les s HIS 35 N -0.27 2.48 0.07 0.00 3.76 -1.26 -5.13 115.29 114.94 1les s HIS 35 Ca 0.27 -1.34 0.05 0.00 -0.15 0.00 0.00 55.06 53.90 1les s HIS 35 Cb -0.17 -1.73 -0.03 0.00 1.11 0.00 0.00 32.58 31.76 1les s HIS 35 CO 0.14 -0.66 -0.14 -1.21 -0.85 0.00 0.00 174.74 172.02 1les s GLU 36 N 1.13 0.83 -0.08 1.40 2.02 -1.26 -5.07 118.70 117.67 1les s GLU 36 Ca -0.01 -0.96 0.04 0.00 0.02 0.00 0.00 54.97 54.07 1les s GLU 36 Cb -0.14 -0.85 -0.01 0.00 0.10 0.00 0.00 34.13 33.23 1les s GLU 36 CO -0.07 0.19 -0.20 0.08 0.02 0.00 0.00 175.26 175.28 1les s VAL 37 N -1.26 2.46 -0.35 2.63 1.01 -1.26 -5.04 120.40 118.59 1les s VAL 37 Ca -0.02 -0.91 0.15 0.00 0.00 0.00 0.00 61.98 61.21 1les s VAL 37 Cb -0.10 -1.95 -0.20 0.00 0.00 0.00 0.00 36.38 34.13 1les s VAL 37 CO 0.02 0.56 0.48 1.41 0.00 0.00 0.00 175.10 177.57 1les n HIS 38 N 3.07 0.00 -3.52 5.22 -0.00 -1.26 -5.04 115.22 113.69 1les n HIS 38 Ca -0.18 0.00 -0.08 0.00 -0.00 0.00 0.00 57.72 57.46 1les n HIS 38 Cb 0.52 -0.18 -0.02 0.00 -0.00 0.00 0.00 29.99 30.31 1les n HIS 38 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.34 174.80 1les s SER 39 N -3.11 -0.33 -0.27 0.41 1.04 -1.26 -5.17 113.70 105.01 1les s SER 39 Ca -0.00 0.05 -0.15 0.00 0.48 0.00 0.00 55.95 56.32 1les s SER 39 Cb 0.10 0.34 0.08 0.00 0.10 0.00 0.00 66.02 66.64 1les s SER 39 CO 0.62 -0.53 0.66 0.86 0.98 0.00 0.00 173.24 175.83 1les s TRP 40 N -2.80 -1.01 0.06 5.02 -0.00 -1.26 -5.17 118.94 113.80 1les s TRP 40 Ca 0.05 2.03 0.04 0.00 -0.00 0.00 0.00 56.10 58.22 1les s TRP 40 Cb -0.01 0.59 -0.03 0.00 -0.00 0.00 0.00 33.47 34.02 1les s TRP 40 CO -0.07 -0.50 -0.12 -1.54 -0.00 0.00 0.00 176.95 174.71 1les s SER 41 N 1.58 1.43 0.01 5.86 1.04 -1.26 -5.16 113.70 117.19 1les s SER 41 Ca -0.10 -0.61 -0.11 0.00 0.48 0.00 0.00 55.95 55.61 1les s SER 41 Cb -0.05 -0.02 0.01 0.00 0.10 0.00 0.00 66.02 66.06 1les s SER 41 CO -0.19 -0.12 0.23 0.12 0.98 0.00 0.00 173.24 174.26 1les s PHE 42 N -1.37 -0.06 -0.15 5.02 5.36 -1.26 -5.16 117.98 120.36 1les s PHE 42 Ca -0.04 0.01 -0.09 0.00 -0.96 0.00 0.00 56.93 55.86 1les s PHE 42 Cb -0.10 0.02 0.05 0.00 -0.34 0.00 0.00 43.02 42.66 1les s PHE 42 CO 0.02 -0.37 0.36 -1.58 -1.46 0.00 0.00 175.22 172.18 1les s HIS 43 N -1.65 -0.49 0.01 10.12 2.46 -1.26 -5.17 115.29 119.31 1les s HIS 43 Ca -0.12 1.09 -0.03 0.00 0.47 0.00 0.00 55.06 56.47 1les s HIS 43 Cb -0.05 0.18 -0.01 0.00 -0.13 0.00 0.00 32.58 32.57 1les s HIS 43 CO 0.01 -0.28 0.03 -1.54 -2.47 0.00 0.00 174.74 170.49 1les s SER 44 N 1.12 0.15 -0.07 9.88 1.04 -1.26 -5.14 113.70 119.41 1les s SER 44 Ca -0.08 -0.36 0.01 0.00 0.48 0.00 0.00 55.95 56.01 1les s SER 44 Cb -0.08 0.14 0.02 0.00 0.10 0.00 0.00 66.02 66.20 1les s SER 44 CO -0.09 -0.30 -0.08 -1.10 0.98 0.00 0.00 173.24 172.64 1les s GLN 45 N -1.33 1.38 -0.19 4.02 -0.21 -1.26 -5.12 119.66 116.94 1les s GLN 45 Ca -0.14 -0.27 -0.02 0.00 0.02 0.00 0.00 55.36 54.95 1les s GLN 45 Cb -0.09 -1.28 -0.00 0.00 1.00 0.00 0.00 33.01 32.64 1les s GLN 45 CO -0.00 -0.09 -0.11 -1.17 -2.12 0.00 0.00 175.29 171.81 1les s LEU 46 N 1.04 2.62 0.00 2.90 2.96 -1.26 -5.01 118.68 121.94 1les s LEU 46 Ca -0.08 -0.46 0.00 0.00 -0.22 0.00 0.00 54.13 53.37 1les s LEU 46 Cb -0.14 -1.64 0.00 0.00 0.50 0.00 0.00 46.19 44.91 1les s LEU 46 CO -0.00 0.02 0.00 0.61 -1.32 0.00 0.00 176.35 175.66 1les n GLY 47 N 4.51 -1.18 0.00 7.98 0.00 -1.26 -5.38 105.19 109.86 1les n GLY 47 Ca -0.19 -1.50 0.00 0.00 0.00 0.00 0.00 46.02 44.33 1les n GLY 47 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89