#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1lem s THR 2 N 0.00 2.07 0.14 1.55 2.01 -1.26 -5.11 115.64 115.04 1lem s THR 2 Ca 0.00 -1.82 0.06 0.00 0.31 0.00 0.00 61.69 60.24 1lem s THR 2 Cb 0.00 -2.33 -0.04 0.00 0.01 0.00 0.00 72.50 70.14 1lem s THR 2 CO 0.00 -0.27 0.05 -0.94 -0.69 0.00 0.00 174.62 172.77 1lem s SER 3 N 1.09 5.14 -0.03 3.53 1.04 -1.26 -5.13 113.70 118.08 1lem s SER 3 Ca -0.01 -0.22 0.02 0.00 0.48 0.00 0.00 55.95 56.22 1lem s SER 3 Cb -0.19 -1.24 0.01 0.00 0.10 0.00 0.00 66.02 64.70 1lem s SER 3 CO -0.07 0.11 -0.09 -0.31 0.98 0.00 0.00 173.24 173.86 1lem s TYR 4 N -1.60 0.98 -0.02 5.02 1.51 -1.26 -5.15 117.35 116.84 1lem s TYR 4 Ca 0.28 -0.27 0.06 0.00 -1.01 0.00 0.00 57.07 56.13 1lem s TYR 4 Cb -0.10 -0.72 -0.01 0.00 -0.11 0.00 0.00 41.96 41.01 1lem s TYR 4 CO 0.20 -0.13 -0.19 0.99 -1.11 0.00 0.00 175.55 175.32 1lem s THR 5 N 0.34 1.48 0.06 -0.71 2.01 -1.26 -5.13 115.64 112.43 1lem s THR 5 Ca -0.06 -0.80 0.06 0.00 0.31 0.00 0.00 61.69 61.20 1lem s THR 5 Cb -0.10 -1.24 -0.03 0.00 0.01 0.00 0.00 72.50 71.14 1lem s THR 5 CO 0.01 0.42 -0.16 -0.22 -0.69 0.00 0.00 174.62 173.98 1lem s LEU 6 N -0.39 2.24 0.09 4.42 2.96 -1.26 -5.16 118.68 121.57 1lem s LEU 6 Ca 0.06 -0.57 -0.18 0.00 -0.22 0.00 0.00 54.13 53.23 1lem s LEU 6 Cb -0.08 -0.64 0.04 0.00 0.50 0.00 0.00 46.19 46.02 1lem s LEU 6 CO -0.00 0.00 0.43 0.54 -1.32 0.00 0.00 176.35 176.00 1lem s ASN 7 N -1.52 -0.30 0.22 3.68 4.22 -1.26 -5.18 114.94 114.81 1lem s ASN 7 Ca 0.01 -0.12 -0.18 0.00 -2.14 0.00 0.00 52.86 50.43 1lem s ASN 7 Cb -0.09 0.47 0.02 0.00 1.28 0.00 0.00 41.25 42.93 1lem s ASN 7 CO 0.02 -0.77 0.57 -0.70 -2.04 0.00 0.00 177.10 174.18 1lem s GLU 8 N -3.14 1.51 -0.27 3.55 2.56 -1.26 -5.13 118.70 116.51 1lem s GLU 8 Ca -0.01 -0.94 -0.14 0.00 0.00 0.00 0.00 54.97 53.88 1lem s GLU 8 Cb 0.00 0.54 -0.04 0.00 2.00 0.00 0.00 34.13 36.63 1lem s GLU 8 CO -0.07 -0.65 0.32 0.08 -0.56 0.00 0.00 175.26 174.37 1lem s VAL 9 N -3.90 5.21 -0.04 3.70 1.01 -1.26 -5.06 120.40 120.06 1lem s VAL 9 Ca 0.12 0.44 0.06 0.00 0.00 0.00 0.00 61.98 62.59 1lem s VAL 9 Cb -0.02 -3.65 -0.02 0.00 0.00 0.00 0.00 36.38 32.68 1lem s VAL 9 CO 0.01 0.18 -0.21 -0.69 0.00 0.00 0.00 175.10 174.38 1lem s VAL 10 N 1.98 2.44 -0.94 2.92 1.01 -1.26 -5.07 120.40 121.49 1lem s VAL 10 Ca 0.13 -0.95 -0.09 0.00 0.00 0.00 0.00 61.98 61.06 1lem s VAL 10 Cb -0.16 -1.90 0.24 0.00 0.00 0.00 0.00 36.38 34.56 1lem s VAL 10 CO 0.10 0.58 0.89 -2.16 0.00 0.00 0.00 175.10 174.51 1lem s PRO 11 N -0.56 3.73 0.25 2.72 0.04 -1.26 -4.93 135.00 135.00 1lem s PRO 11 Ca 0.08 -2.89 -0.03 0.00 0.04 0.00 0.00 61.00 58.20 1lem s PRO 11 Cb -0.11 -4.37 0.47 0.00 0.04 0.00 0.00 34.50 30.53 1lem s PRO 11 CO 0.00 -1.26 1.78 1.25 0.04 0.00 0.00 177.00 178.82 1lem h LEU 12 N 7.02 0.59 -2.07 -3.56 5.85 -1.97 -1.60 115.31 119.57 1lem h LEU 12 Ca 0.13 0.07 0.11 0.00 0.84 0.00 0.00 57.88 59.03 1lem h LEU 12 Cb 0.93 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.92 1lem h LEU 12 CO 0.87 0.30 0.31 0.50 -0.34 0.00 0.00 178.44 180.08 1lem h LYS 13 N 0.70 0.00 0.00 1.25 3.64 -1.92 0.07 116.57 120.31 1lem h LYS 13 Ca 0.43 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.81 1lem h LYS 13 Cb 0.51 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.33 1lem h LYS 13 CO -0.31 0.00 -1.24 -0.25 -2.27 0.00 0.00 179.45 175.38 1lem n ASP 14 N -4.08 0.75 -0.06 4.20 8.00 -0.62 -4.53 116.55 120.22 1lem n ASP 14 Ca 0.06 -0.74 -0.19 0.00 0.71 0.00 0.00 54.79 54.64 1lem n ASP 14 Cb 0.49 1.25 -0.13 0.00 -0.02 0.00 0.00 41.12 42.71 1lem n ASP 14 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 1lem n VAL 15 N -1.69 1.63 -4.34 2.53 0.31 -0.03 -5.01 118.33 111.74 1lem n VAL 15 Ca 0.02 -0.64 -0.29 0.00 -0.01 0.00 0.00 64.34 63.42 1lem n VAL 15 Cb 0.39 -1.50 -0.12 0.00 -0.91 0.00 0.00 33.84 31.70 1lem n VAL 15 CO 0.00 0.00 0.00 0.68 -1.32 0.00 0.00 176.83 176.19 1lem s VAL 16 N -2.54 2.69 0.88 2.52 -7.23 -0.96 -5.13 120.40 110.63 1lem s VAL 16 Ca -0.26 -1.64 -0.11 0.00 -1.81 0.00 0.00 61.98 58.16 1lem s VAL 16 Cb 0.08 -2.24 0.12 0.00 0.56 0.00 0.00 36.38 34.89 1lem s VAL 16 CO 0.71 0.05 1.10 -2.84 -0.31 0.00 0.00 175.10 173.81 1lem s PRO 17 N -2.27 1.37 0.54 4.82 0.02 -1.26 -4.74 135.00 133.49 1lem s PRO 17 Ca 0.18 1.14 0.23 0.00 0.02 0.00 0.00 61.00 62.57 1lem s PRO 17 Cb -0.10 -1.80 1.42 0.00 0.02 0.00 0.00 34.50 34.05 1lem s PRO 17 CO 0.10 -2.25 2.09 0.93 -0.33 0.00 0.00 177.00 177.53 1lem h GLU 18 N -1.57 0.00 -5.29 5.54 5.08 -1.98 -3.39 114.58 112.96 1lem h GLU 18 Ca -0.47 0.00 -0.67 0.00 -1.00 0.00 0.00 59.36 57.22 1lem h GLU 18 Cb 1.26 0.00 -0.30 0.00 0.50 0.00 0.00 28.75 30.21 1lem h GLU 18 CO 0.50 0.00 -0.82 -1.58 -1.00 0.00 0.00 179.01 176.10 1lem s TRP 19 N -4.94 2.70 0.06 4.33 0.52 -1.26 -5.14 118.94 115.22 1lem s TRP 19 Ca -0.05 -0.93 0.01 0.00 0.02 0.00 0.00 56.10 55.14 1lem s TRP 19 Cb 0.18 -1.80 -0.04 0.00 -1.15 0.00 0.00 33.47 30.66 1lem s TRP 19 CO 0.66 -0.38 -0.05 0.14 0.02 0.00 0.00 176.95 177.34 1lem s VAL 20 N 0.49 0.42 0.26 4.03 -7.23 -1.26 -5.16 120.40 111.93 1lem s VAL 20 Ca -0.12 -1.62 0.05 0.00 -1.81 0.00 0.00 61.98 58.48 1lem s VAL 20 Cb -0.17 -1.26 -0.03 0.00 0.56 0.00 0.00 36.38 35.48 1lem s VAL 20 CO 0.05 -0.79 0.38 -0.13 -0.31 0.00 0.00 175.10 174.30 1lem s ARG 21 N -3.19 3.41 0.31 4.82 0.52 -1.26 -5.15 118.95 118.41 1lem s ARG 21 Ca 0.03 -0.75 0.09 0.00 -0.52 0.00 0.00 55.73 54.57 1lem s ARG 21 Cb 0.02 -2.87 -0.06 0.00 0.52 0.00 0.00 34.95 32.56 1lem s ARG 21 CO -0.05 0.38 -0.10 0.96 0.02 0.00 0.00 175.30 176.51 1lem s ILE 22 N -2.02 2.05 -2.02 1.52 -4.36 -1.26 -5.14 121.20 109.96 1lem s ILE 22 Ca 0.35 -2.20 0.00 0.00 -0.26 0.00 0.00 60.65 58.54 1lem s ILE 22 Cb -0.09 -2.52 0.00 0.00 1.25 0.00 0.00 42.46 41.10 1lem s ILE 22 CO 0.30 -0.27 0.00 0.61 0.24 0.00 0.00 174.94 175.81 1lem n GLY 23 N -0.69 -1.14 3.11 6.27 0.00 -1.26 -5.16 105.19 106.32 1lem n GLY 23 Ca -0.05 -0.94 -0.20 0.00 0.00 0.00 0.00 46.02 44.83 1lem n GLY 23 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1lem s PHE 24 N -3.00 1.15 0.04 1.61 0.08 -1.26 -5.16 117.98 111.44 1lem s PHE 24 Ca 0.00 -0.28 0.05 0.00 0.12 0.00 0.00 56.93 56.81 1lem s PHE 24 Cb 0.00 -0.71 -0.02 0.00 -0.57 0.00 0.00 43.02 41.72 1lem s PHE 24 CO 0.00 0.00 -0.14 0.45 -0.10 0.00 0.00 175.22 175.44 1lem s SER 25 N -0.71 1.62 0.06 1.36 0.15 -1.26 -5.17 113.70 109.75 1lem s SER 25 Ca 0.03 -0.45 -0.17 0.00 0.70 0.00 0.00 55.95 56.06 1lem s SER 25 Cb -0.06 -0.10 0.03 0.00 -1.71 0.00 0.00 66.02 64.18 1lem s SER 25 CO 0.00 0.03 0.39 0.00 1.20 0.00 0.00 173.24 174.86 1lem s ALA 26 N -0.85 -0.93 0.06 5.45 0.00 -1.26 -5.17 121.76 119.05 1lem s ALA 26 Ca 0.01 0.16 -0.16 0.00 0.00 0.00 0.00 51.96 51.97 1lem s ALA 26 Cb -0.08 0.43 0.03 0.00 0.00 0.00 0.00 23.12 23.50 1lem s ALA 26 CO 0.01 -0.50 0.36 0.95 0.00 0.00 0.00 175.76 176.59 1lem s THR 27 N -2.84 0.07 0.23 0.00 -4.23 -1.26 -5.15 115.64 102.46 1lem s THR 27 Ca -0.03 -0.58 0.02 0.00 -1.18 0.00 0.00 61.69 59.91 1lem s THR 27 Cb -0.00 -0.99 -0.05 0.00 1.34 0.00 0.00 72.50 72.80 1lem s THR 27 CO -0.05 -0.32 0.05 0.42 -0.54 0.00 0.00 174.62 174.18 1lem s THR 28 N -2.73 0.66 0.00 3.99 -4.23 -1.26 -4.89 115.64 107.18 1lem s THR 28 Ca -0.04 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.48 1lem s THR 28 Cb -0.00 -2.44 0.00 0.00 1.34 0.00 0.00 72.50 71.40 1lem s THR 28 CO -0.04 -0.19 0.00 0.61 -0.54 0.00 0.00 174.62 174.45 1lem n GLY 29 N -0.39 4.19 0.28 3.99 0.00 -1.26 -5.02 105.19 106.98 1lem n GLY 29 Ca -0.03 -0.46 -0.16 0.00 0.00 0.00 0.00 46.02 45.38 1lem n GLY 29 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1lem h ALA 30 N 1.22 -0.62 -1.52 4.61 0.00 -2.07 -3.40 119.26 117.48 1lem h ALA 30 Ca 0.00 -0.13 -0.46 0.00 0.00 0.00 0.00 54.91 54.32 1lem h ALA 30 Cb 0.00 0.28 0.09 0.00 0.00 0.00 0.00 17.79 18.16 1lem h ALA 30 CO 0.00 -0.86 0.15 -1.21 0.00 0.00 0.00 179.25 177.34 1lem s GLU 31 N -6.09 1.60 0.30 0.00 2.02 -1.26 -5.12 118.70 110.15 1lem s GLU 31 Ca -0.16 -0.95 -0.15 0.00 0.02 0.00 0.00 54.97 53.74 1lem s GLU 31 Cb 0.05 -2.26 0.06 0.00 0.10 0.00 0.00 34.13 32.07 1lem s GLU 31 CO 0.63 -1.54 0.75 1.97 0.02 0.00 0.00 175.26 177.10 1lem n PHE 32 N -2.95 -1.97 -3.64 1.61 1.16 -1.26 -4.77 117.46 105.64 1lem n PHE 32 Ca 0.14 -1.50 -0.00 0.00 -1.87 0.00 0.00 57.45 54.21 1lem n PHE 32 Cb 0.60 0.75 -0.01 0.00 -1.61 0.00 0.00 39.48 39.21 1lem n PHE 32 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1lem s ALA 33 N -1.94 -2.09 -0.23 1.98 0.00 -1.26 -5.06 121.76 113.16 1lem s ALA 33 Ca 0.16 0.70 -0.10 0.00 0.00 0.00 0.00 51.96 52.71 1lem s ALA 33 Cb -0.04 0.36 -0.05 0.00 0.00 0.00 0.00 23.12 23.39 1lem s ALA 33 CO 0.09 -0.99 0.14 0.00 0.00 0.00 0.00 175.76 175.01 1lem s ALA 34 N -2.61 3.60 -0.10 0.00 0.00 -1.26 -4.96 121.76 116.43 1lem s ALA 34 Ca 0.13 -0.85 0.03 0.00 0.00 0.00 0.00 51.96 51.27 1lem s ALA 34 Cb 0.03 -2.26 -0.01 0.00 0.00 0.00 0.00 23.12 20.88 1lem s ALA 34 CO -0.03 -0.11 -0.19 -0.65 0.00 0.00 0.00 175.76 174.79 1lem s GLN 35 N 0.89 3.04 -0.06 0.00 1.11 -1.26 -5.13 119.66 118.24 1lem s GLN 35 Ca 0.07 -0.78 -0.03 0.00 0.01 0.00 0.00 55.36 54.63 1lem s GLN 35 Cb -0.13 -2.42 0.03 0.00 -1.01 0.00 0.00 33.01 29.48 1lem s GLN 35 CO 0.03 0.28 0.14 -1.21 0.01 0.00 0.00 175.29 174.54 1lem s GLU 36 N 0.13 0.10 -0.15 2.91 2.02 -1.26 -5.08 118.70 117.38 1lem s GLU 36 Ca -0.09 0.34 -0.11 0.00 0.02 0.00 0.00 54.97 55.13 1lem s GLU 36 Cb -0.16 -0.14 -0.05 0.00 0.10 0.00 0.00 34.13 33.88 1lem s GLU 36 CO 0.06 -0.14 0.23 0.08 0.02 0.00 0.00 175.26 175.50 1lem s VAL 37 N 1.01 5.35 -0.22 2.63 1.01 -1.26 -4.98 120.40 123.95 1lem s VAL 37 Ca -0.08 0.40 0.18 0.00 0.00 0.00 0.00 61.98 62.49 1lem s VAL 37 Cb -0.10 -3.54 -0.26 0.00 0.00 0.00 0.00 36.38 32.48 1lem s VAL 37 CO -0.05 0.47 0.48 1.41 0.00 0.00 0.00 175.10 177.41 1lem n HIS 38 N 3.03 0.00 -3.53 5.22 8.25 -1.26 -5.05 115.22 121.89 1lem n HIS 38 Ca -0.15 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.19 1lem n HIS 38 Cb 0.53 -0.31 -0.04 0.00 1.12 0.00 0.00 29.99 31.28 1lem n HIS 38 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 1lem s SER 39 N -3.73 -0.46 -0.19 0.41 1.04 -1.26 -5.17 113.70 104.34 1lem s SER 39 Ca -0.03 0.35 -0.12 0.00 0.48 0.00 0.00 55.95 56.62 1lem s SER 39 Cb 0.12 0.41 0.06 0.00 0.10 0.00 0.00 66.02 66.71 1lem s SER 39 CO 0.74 -0.54 0.47 0.86 0.98 0.00 0.00 173.24 175.76 1lem s TRP 40 N -1.88 -0.66 0.01 5.02 -0.00 -1.26 -5.16 118.94 115.01 1lem s TRP 40 Ca -0.02 1.43 -0.04 0.00 -0.00 0.00 0.00 56.10 57.47 1lem s TRP 40 Cb -0.01 0.30 -0.01 0.00 -0.00 0.00 0.00 33.47 33.76 1lem s TRP 40 CO -0.00 -0.35 0.06 -1.54 -0.00 0.00 0.00 176.95 175.12 1lem s SER 41 N 1.14 0.13 -0.03 5.86 1.04 -1.26 -5.18 113.70 115.40 1lem s SER 41 Ca -0.07 -0.36 -0.09 0.00 0.48 0.00 0.00 55.95 55.91 1lem s SER 41 Cb -0.07 0.16 0.01 0.00 0.10 0.00 0.00 66.02 66.23 1lem s SER 41 CO -0.10 -0.35 0.21 0.12 0.98 0.00 0.00 173.24 174.10 1lem s PHE 42 N -1.49 -0.10 -0.13 5.02 5.36 -1.26 -5.16 117.98 120.22 1lem s PHE 42 Ca -0.15 0.19 -0.09 0.00 -0.96 0.00 0.00 56.93 55.92 1lem s PHE 42 Cb -0.08 0.03 0.04 0.00 -0.34 0.00 0.00 43.02 42.67 1lem s PHE 42 CO 0.00 -0.26 0.32 1.21 -1.46 0.00 0.00 175.22 175.03 1lem s ASN 43 N -0.92 -0.36 0.09 6.13 2.47 -1.26 -5.17 114.94 115.92 1lem s ASN 43 Ca -0.10 0.68 0.01 0.00 0.42 0.00 0.00 52.86 53.87 1lem s ASN 43 Cb -0.05 0.62 -0.04 0.00 -1.45 0.00 0.00 41.25 40.32 1lem s ASN 43 CO 0.02 -0.15 -0.06 -0.94 -3.72 0.00 0.00 177.10 172.25 1lem s SER 44 N 0.79 1.03 -0.07 -4.21 1.04 -1.26 -5.14 113.70 105.88 1lem s SER 44 Ca -0.05 -1.00 -0.02 0.00 0.48 0.00 0.00 55.95 55.36 1lem s SER 44 Cb -0.06 0.11 0.03 0.00 0.10 0.00 0.00 66.02 66.20 1lem s SER 44 CO -0.05 -0.48 0.04 -1.10 0.98 0.00 0.00 173.24 172.62 1lem s GLN 45 N -3.80 0.19 -0.10 4.02 1.11 -1.26 -5.12 119.66 114.70 1lem s GLN 45 Ca 0.11 0.22 0.02 0.00 0.01 0.00 0.00 55.36 55.71 1lem s GLN 45 Cb 0.05 -0.83 -0.02 0.00 -1.01 0.00 0.00 33.01 31.20 1lem s GLN 45 CO -0.06 -0.36 -0.15 -1.17 0.01 0.00 0.00 175.29 173.56 1lem s LEU 46 N 2.09 2.62 0.00 2.90 2.96 -1.26 -5.37 118.68 122.62 1lem s LEU 46 Ca 0.05 -0.33 0.00 0.00 -0.22 0.00 0.00 54.13 53.63 1lem s LEU 46 Cb -0.13 -1.56 0.00 0.00 0.50 0.00 0.00 46.19 45.00 1lem s LEU 46 CO -0.04 0.22 0.00 0.61 -1.32 0.00 0.00 176.35 175.81