#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1lgb s SER 3 N 0.00 2.44 -0.04 3.42 0.01 -1.26 -5.13 113.70 113.14 1lgb s SER 3 Ca 0.00 -0.70 0.02 0.00 1.31 0.00 0.00 55.95 56.58 1lgb s SER 3 Cb 0.00 -0.13 0.01 0.00 0.21 0.00 0.00 66.02 66.11 1lgb s SER 3 CO 0.00 0.03 -0.09 -0.31 0.41 0.00 0.00 173.24 173.28 1lgb s TYR 4 N -1.29 1.02 0.08 2.43 1.51 -1.26 -5.16 117.35 114.69 1lgb s TYR 4 Ca 0.06 -0.30 0.00 0.00 -1.01 0.00 0.00 57.07 55.83 1lgb s TYR 4 Cb -0.09 -0.77 -0.04 0.00 -0.11 0.00 0.00 41.96 40.94 1lgb s TYR 4 CO 0.04 -0.17 -0.04 0.99 -1.11 0.00 0.00 175.55 175.26 1lgb s THR 5 N 0.52 0.45 -0.01 -0.71 2.01 -1.26 -5.16 115.64 111.48 1lgb s THR 5 Ca -0.09 -1.88 -0.05 0.00 0.31 0.00 0.00 61.69 59.99 1lgb s THR 5 Cb -0.12 -1.66 -0.00 0.00 0.01 0.00 0.00 72.50 70.73 1lgb s THR 5 CO 0.01 -0.88 0.09 -0.76 -0.69 0.00 0.00 174.62 172.39 1lgb s LEU 6 N -3.00 1.71 -0.02 4.42 1.02 -1.26 -5.15 118.68 116.40 1lgb s LEU 6 Ca 0.11 -0.13 -0.00 0.00 0.02 0.00 0.00 54.13 54.13 1lgb s LEU 6 Cb 0.07 0.46 0.02 0.00 0.02 0.00 0.00 46.19 46.76 1lgb s LEU 6 CO -0.06 -0.25 0.03 0.20 0.02 0.00 0.00 176.35 176.30 1lgb s ASN 7 N -0.92 0.04 -0.23 2.29 0.01 -1.26 -5.14 114.94 109.72 1lgb s ASN 7 Ca -0.10 0.05 -0.19 0.00 -0.71 0.00 0.00 52.86 51.91 1lgb s ASN 7 Cb -0.06 -0.03 0.06 0.00 0.41 0.00 0.00 41.25 41.63 1lgb s ASN 7 CO 0.01 -0.10 0.60 -0.70 -1.51 0.00 0.00 177.10 175.39 1lgb s GLU 8 N 0.84 0.67 -0.50 -0.60 2.56 -1.26 -5.11 118.70 115.30 1lgb s GLU 8 Ca -0.07 0.89 -0.28 0.00 0.00 0.00 0.00 54.97 55.51 1lgb s GLU 8 Cb -0.10 0.28 0.01 0.00 2.00 0.00 0.00 34.13 36.32 1lgb s GLU 8 CO -0.03 -0.10 1.37 0.08 -0.56 0.00 0.00 175.26 176.03 1lgb s VAL 9 N 0.62 3.88 -0.29 3.70 1.01 -1.26 -4.99 120.40 123.08 1lgb s VAL 9 Ca -0.02 0.83 0.01 0.00 0.00 0.00 0.00 61.98 62.80 1lgb s VAL 9 Cb -0.05 -4.39 0.06 0.00 0.00 0.00 0.00 36.38 32.00 1lgb s VAL 9 CO -0.04 -1.02 -0.04 -0.69 0.00 0.00 0.00 175.10 173.31 1lgb s VAL 10 N 5.62 2.52 -1.19 2.92 1.01 -1.26 -5.03 120.40 124.98 1lgb s VAL 10 Ca 0.54 -1.64 -0.22 0.00 0.00 0.00 0.00 61.98 60.66 1lgb s VAL 10 Cb -0.11 -2.52 -0.08 0.00 0.00 0.00 0.00 36.38 33.67 1lgb s VAL 10 CO 0.28 -0.15 1.92 -0.81 0.00 0.00 0.00 175.10 176.35 1lgb n PRO 11 N 4.49 1.73 -0.06 2.72 -0.04 -1.26 -4.80 135.00 137.77 1lgb n PRO 11 Ca -0.11 -2.53 -0.11 0.00 -0.04 0.00 0.00 63.50 60.71 1lgb n PRO 11 Cb 0.42 -3.70 -0.06 0.00 -0.04 0.00 0.00 33.50 30.12 1lgb n PRO 11 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 1lgb h LEU 12 N 17.29 -1.38 -1.00 1.53 -0.00 -1.97 -2.07 115.31 127.72 1lgb h LEU 12 Ca 0.24 0.20 0.34 0.00 -0.00 0.00 0.00 57.88 58.65 1lgb h LEU 12 Cb 0.93 0.58 -0.18 0.00 -0.00 0.00 0.00 40.66 41.99 1lgb h LEU 12 CO 1.25 -0.40 0.25 0.50 -0.00 0.00 0.00 178.44 180.05 1lgb h LYS 13 N -0.41 0.01 0.00 1.13 3.64 -1.87 0.58 116.57 119.65 1lgb h LYS 13 Ca 0.10 -0.00 -0.08 0.00 -1.27 0.00 0.00 60.65 59.41 1lgb h LYS 13 Cb 0.61 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.41 1lgb h LYS 13 CO -0.48 0.00 -0.37 1.49 -2.27 0.00 0.00 179.45 177.82 1lgb h GLU 14 N 0.01 0.00 0.01 1.90 4.57 -1.78 -3.38 114.58 115.90 1lgb h GLU 14 Ca 0.71 0.00 -0.42 0.00 -1.18 0.00 0.00 59.36 58.48 1lgb h GLU 14 Cb 1.68 0.00 -0.07 0.00 -0.16 0.00 0.00 28.75 30.20 1lgb h GLU 14 CO -0.86 0.37 -2.45 1.19 -1.18 0.00 0.00 179.01 176.08 1lgb n PHE 15 N -3.97 0.09 -5.08 0.92 3.72 0.20 -5.00 117.46 108.34 1lgb n PHE 15 Ca -0.02 0.03 -0.32 0.00 -0.05 0.00 0.00 57.45 57.09 1lgb n PHE 15 Cb 0.42 -1.01 -0.15 0.00 -0.94 0.00 0.00 39.48 37.80 1lgb n PHE 15 CO 0.00 0.00 0.00 0.14 -0.05 0.00 0.00 176.76 176.85 1lgb s VAL 16 N -2.51 2.55 0.87 -4.37 -7.23 -0.83 -5.13 120.40 103.75 1lgb s VAL 16 Ca -0.36 -0.90 -0.24 0.00 -1.81 0.00 0.00 61.98 58.68 1lgb s VAL 16 Cb 0.11 -1.97 -0.17 0.00 0.56 0.00 0.00 36.38 34.91 1lgb s VAL 16 CO 0.56 0.57 -1.32 -2.65 -0.31 0.00 0.00 175.10 171.96 1lgb n PRO 17 N 2.70 0.00 -0.05 4.82 -0.02 -1.26 -4.67 135.00 136.52 1lgb n PRO 17 Ca -0.17 0.00 -0.13 0.00 -2.02 0.00 0.00 63.50 61.18 1lgb n PRO 17 Cb 0.52 -0.87 -0.07 0.00 -0.02 0.00 0.00 33.50 33.06 1lgb n PRO 17 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1lgb h GLU 18 N -0.87 0.31 -5.02 -0.52 4.81 -2.00 -3.41 114.58 107.88 1lgb h GLU 18 Ca -0.34 -0.15 -0.63 0.00 -0.13 0.00 0.00 59.36 58.10 1lgb h GLU 18 Cb 1.21 0.00 -0.18 0.00 0.63 0.00 0.00 28.75 30.42 1lgb h GLU 18 CO 0.18 0.68 -0.55 -1.58 -0.73 0.00 0.00 179.01 177.01 1lgb s TRP 19 N -4.38 3.21 0.01 0.92 0.52 -1.26 -5.08 118.94 112.87 1lgb s TRP 19 Ca -0.14 -0.02 0.01 0.00 0.02 0.00 0.00 56.10 55.97 1lgb s TRP 19 Cb 0.05 -2.26 -0.01 0.00 -1.15 0.00 0.00 33.47 30.10 1lgb s TRP 19 CO 0.74 -0.11 -0.04 0.14 0.02 0.00 0.00 176.95 177.70 1lgb s VAL 20 N 1.33 0.29 0.02 4.03 -7.23 -1.26 -5.14 120.40 112.43 1lgb s VAL 20 Ca 0.06 -0.38 -0.05 0.00 -1.81 0.00 0.00 61.98 59.80 1lgb s VAL 20 Cb -0.15 -0.29 -0.05 0.00 0.56 0.00 0.00 36.38 36.46 1lgb s VAL 20 CO 0.06 -0.07 0.25 -0.13 -0.31 0.00 0.00 175.10 174.91 1lgb s ARG 21 N -0.48 3.54 -0.03 4.82 0.52 -1.26 -5.11 118.95 120.95 1lgb s ARG 21 Ca -0.02 -0.16 0.05 0.00 -0.52 0.00 0.00 55.73 55.07 1lgb s ARG 21 Cb -0.04 -3.06 -0.03 0.00 0.52 0.00 0.00 34.95 32.35 1lgb s ARG 21 CO -0.00 0.63 -0.17 0.96 0.02 0.00 0.00 175.30 176.74 1lgb s ILE 22 N -1.36 2.85 0.28 1.52 -4.36 -1.26 -5.12 121.20 113.75 1lgb s ILE 22 Ca 0.29 -0.84 -0.12 0.00 -0.26 0.00 0.00 60.65 59.72 1lgb s ILE 22 Cb -0.13 -2.10 0.01 0.00 1.25 0.00 0.00 42.46 41.48 1lgb s ILE 22 CO 0.18 0.56 0.54 -0.83 0.24 0.00 0.00 174.94 175.64 1lgb s GLY 23 N -0.78 0.63 -0.10 6.27 0.00 -1.26 -5.15 107.32 106.93 1lgb s GLY 23 Ca 0.12 -0.92 -0.02 0.00 0.00 0.00 0.00 44.72 43.89 1lgb s GLY 23 CO 0.01 -0.60 -0.01 -1.36 0.00 0.00 0.00 173.10 171.13 1lgb s PHE 24 N -3.63 3.11 -0.23 1.90 0.08 -1.26 -5.11 117.98 112.85 1lgb s PHE 24 Ca 0.22 0.07 -0.15 0.00 0.12 0.00 0.00 56.93 57.20 1lgb s PHE 24 Cb -0.02 -1.83 0.07 0.00 -0.57 0.00 0.00 43.02 40.67 1lgb s PHE 24 CO 0.11 0.34 0.57 0.45 -0.10 0.00 0.00 175.22 176.59 1lgb s SER 25 N -0.56 -0.72 0.31 1.36 0.15 -1.26 -5.17 113.70 107.81 1lgb s SER 25 Ca 0.09 1.22 0.03 0.00 0.70 0.00 0.00 55.95 57.99 1lgb s SER 25 Cb -0.12 1.13 -0.05 0.00 -1.71 0.00 0.00 66.02 65.27 1lgb s SER 25 CO 0.02 -0.21 0.09 0.00 1.20 0.00 0.00 173.24 174.33 1lgb s ALA 26 N 1.23 2.17 0.37 5.45 0.00 -1.26 -5.19 121.76 124.54 1lgb s ALA 26 Ca -0.07 -1.87 -0.04 0.00 0.00 0.00 0.00 51.96 49.97 1lgb s ALA 26 Cb -0.06 0.84 0.02 0.00 0.00 0.00 0.00 23.12 23.92 1lgb s ALA 26 CO -0.12 -0.38 0.55 0.95 0.00 0.00 0.00 175.76 176.76 1lgb s THR 27 N -3.47 0.00 -0.18 0.00 -4.23 -1.26 -5.16 115.64 101.33 1lgb s THR 27 Ca 0.35 -1.48 -0.10 0.00 -1.18 0.00 0.00 61.69 59.29 1lgb s THR 27 Cb 0.07 -2.74 0.06 0.00 1.34 0.00 0.00 72.50 71.23 1lgb s THR 27 CO 0.15 0.00 0.44 0.42 -0.54 0.00 0.00 174.62 175.08 1lgb s THR 28 N -2.76 -0.02 0.00 3.99 -4.23 -1.26 -4.87 115.64 106.49 1lgb s THR 28 Ca 0.28 0.08 0.00 0.00 -1.18 0.00 0.00 61.69 60.87 1lgb s THR 28 Cb -0.02 -0.64 0.00 0.00 1.34 0.00 0.00 72.50 73.18 1lgb s THR 28 CO 0.20 0.03 0.00 0.61 -0.54 0.00 0.00 174.62 174.92 1lgb n GLY 29 N 4.24 1.83 1.61 3.99 0.00 -1.26 -4.90 105.19 110.70 1lgb n GLY 29 Ca -0.23 -0.46 -0.06 0.00 0.00 0.00 0.00 46.02 45.28 1lgb n GLY 29 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1lgb n ALA 30 N -3.00 4.29 -3.61 4.61 0.00 -1.26 -4.63 120.51 116.91 1lgb n ALA 30 Ca 0.00 -0.59 -0.01 0.00 0.00 0.00 0.00 53.44 52.84 1lgb n ALA 30 Cb 0.00 -1.13 -0.01 0.00 0.00 0.00 0.00 19.45 18.31 1lgb n ALA 30 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1lgb s GLU 31 N -0.65 0.33 0.12 0.00 2.02 -1.26 -5.21 118.70 114.05 1lgb s GLU 31 Ca 0.11 -0.16 -0.05 0.00 0.02 0.00 0.00 54.97 54.89 1lgb s GLU 31 Cb 0.09 0.13 0.02 0.00 0.10 0.00 0.00 34.13 34.46 1lgb s GLU 31 CO -0.00 -0.15 0.27 1.97 0.02 0.00 0.00 175.26 177.37 1lgb n PHE 32 N -0.29 -1.38 0.00 1.61 1.16 -1.26 -4.75 117.46 112.55 1lgb n PHE 32 Ca -0.04 -0.59 0.00 0.00 -1.87 0.00 0.00 57.45 54.95 1lgb n PHE 32 Cb 0.60 0.29 0.00 0.00 -1.61 0.00 0.00 39.48 38.77 1lgb n PHE 32 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1lgb n ALA 33 N -2.21 0.00 -2.23 1.98 0.00 -1.26 -5.08 120.51 111.72 1lgb n ALA 33 Ca -0.05 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 53.01 1lgb n ALA 33 Cb 0.20 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.59 1lgb n ALA 33 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1lgb s ALA 34 N -2.00 3.53 -0.11 0.00 0.00 -1.26 -4.98 121.76 116.93 1lgb s ALA 34 Ca 0.00 0.05 0.01 0.00 0.00 0.00 0.00 51.96 52.02 1lgb s ALA 34 Cb 0.00 -2.68 0.02 0.00 0.00 0.00 0.00 23.12 20.46 1lgb s ALA 34 CO 0.00 0.39 -0.12 -1.01 0.00 0.00 0.00 175.76 175.01 1lgb s HIS 35 N -1.32 1.81 -0.01 0.00 3.76 -1.26 -5.13 115.29 113.14 1lgb s HIS 35 Ca 0.36 -0.89 -0.04 0.00 -0.15 0.00 0.00 55.06 54.34 1lgb s HIS 35 Cb -0.18 -1.36 0.00 0.00 1.11 0.00 0.00 32.58 32.15 1lgb s HIS 35 CO 0.20 -0.50 0.08 -1.21 -0.85 0.00 0.00 174.74 172.46 1lgb s GLU 36 N 1.25 0.28 -0.12 1.40 2.02 -1.26 -5.10 118.70 117.17 1lgb s GLU 36 Ca -0.02 -0.21 0.00 0.00 0.02 0.00 0.00 54.97 54.77 1lgb s GLU 36 Cb -0.14 0.11 -0.02 0.00 0.10 0.00 0.00 34.13 34.19 1lgb s GLU 36 CO -0.05 -0.05 -0.13 0.08 0.02 0.00 0.00 175.26 175.13 1lgb s VAL 37 N -0.75 3.10 -0.10 2.63 1.01 -1.26 -5.03 120.40 120.00 1lgb s VAL 37 Ca -0.08 -0.65 0.19 0.00 0.00 0.00 0.00 61.98 61.43 1lgb s VAL 37 Cb -0.05 -2.29 -0.28 0.00 0.00 0.00 0.00 36.38 33.76 1lgb s VAL 37 CO 0.00 0.54 0.28 0.18 0.00 0.00 0.00 175.10 176.10 1lgb n LEU 38 N 3.30 0.00 0.00 3.92 4.32 -1.26 -5.07 117.00 122.21 1lgb n LEU 38 Ca -0.18 0.00 -0.08 0.00 -0.02 0.00 0.00 56.01 55.73 1lgb n LEU 38 Cb 0.53 0.21 0.01 0.00 -1.62 0.00 0.00 43.42 42.55 1lgb n LEU 38 CO 0.30 0.21 0.33 -1.54 -1.22 0.00 0.00 177.39 175.47 1lgb n SER 39 N -2.44 -1.58 -3.65 -1.43 3.41 -1.26 -5.19 113.62 101.50 1lgb n SER 39 Ca -0.16 -2.32 -0.03 0.00 -0.26 0.00 0.00 58.87 56.11 1lgb n SER 39 Cb 0.80 2.69 -0.07 0.00 -0.26 0.00 0.00 64.21 67.38 1lgb n SER 39 CO 0.00 0.00 0.00 0.86 -0.16 0.00 0.00 175.04 175.74 1lgb s TRP 40 N -3.60 -0.34 0.09 7.33 -0.00 -1.26 -5.17 118.94 115.99 1lgb s TRP 40 Ca 0.15 0.72 0.04 0.00 -0.00 0.00 0.00 56.10 57.02 1lgb s TRP 40 Cb -0.03 0.30 -0.03 0.00 -0.00 0.00 0.00 33.47 33.70 1lgb s TRP 40 CO 0.11 -0.17 -0.11 -0.47 -0.00 0.00 0.00 176.95 176.31 1lgb s TYR 41 N 0.82 1.11 -0.30 5.86 5.04 -1.26 -5.14 117.35 123.48 1lgb s TYR 41 Ca -0.04 -0.57 -0.16 0.00 -2.44 0.00 0.00 57.07 53.86 1lgb s TYR 41 Cb -0.04 -0.61 0.18 0.00 0.35 0.00 0.00 41.96 41.84 1lgb s TYR 41 CO -0.12 0.03 1.14 0.12 -1.34 0.00 0.00 175.55 175.38 1lgb s PHE 42 N -1.97 -0.33 -0.12 4.97 5.36 -1.26 -5.14 117.98 119.50 1lgb s PHE 42 Ca 0.02 0.40 0.00 0.00 -0.96 0.00 0.00 56.93 56.40 1lgb s PHE 42 Cb -0.06 0.14 0.02 0.00 -0.34 0.00 0.00 43.02 42.78 1lgb s PHE 42 CO 0.01 -0.17 -0.10 1.21 -1.46 0.00 0.00 175.22 174.71 1lgb s ASN 43 N 2.74 2.32 -0.13 6.13 3.04 -1.26 -5.12 114.94 122.67 1lgb s ASN 43 Ca -0.04 -0.36 -0.00 0.00 0.04 0.00 0.00 52.86 52.50 1lgb s ASN 43 Cb -0.07 -0.95 0.02 0.00 -1.54 0.00 0.00 41.25 38.71 1lgb s ASN 43 CO -0.11 -0.09 -0.10 -0.94 -3.04 0.00 0.00 177.10 172.82 1lgb s SER 44 N 1.56 2.38 -0.11 -4.21 1.04 -1.26 -5.12 113.70 107.97 1lgb s SER 44 Ca 0.03 -0.38 0.00 0.00 0.48 0.00 0.00 55.95 56.09 1lgb s SER 44 Cb -0.13 -0.98 -0.02 0.00 0.10 0.00 0.00 66.02 65.00 1lgb s SER 44 CO -0.08 -0.09 -0.13 -1.61 0.98 0.00 0.00 173.24 172.31 1lgb s GLU 45 N 1.59 3.22 -0.10 4.02 2.02 -1.26 -5.11 118.70 123.08 1lgb s GLU 45 Ca 0.04 -0.68 0.02 0.00 0.02 0.00 0.00 54.97 54.38 1lgb s GLU 45 Cb -0.13 -2.59 -0.01 0.00 0.10 0.00 0.00 34.13 31.50 1lgb s GLU 45 CO -0.09 0.30 -0.18 -1.17 0.02 0.00 0.00 175.26 174.14 1lgb s LEU 46 N 0.13 2.47 0.97 1.80 2.96 -1.26 -5.13 118.68 120.62 1lgb s LEU 46 Ca -0.06 -0.40 -0.15 0.00 -0.22 0.00 0.00 54.13 53.30 1lgb s LEU 46 Cb -0.15 -1.52 0.19 0.00 0.50 0.00 0.00 46.19 45.21 1lgb s LEU 46 CO 0.05 0.20 1.23 0.00 -1.32 0.00 0.00 176.35 176.50 1lgb s ALA 47 N 0.15 1.92 0.00 5.97 0.00 -1.26 -5.37 121.76 123.17 1lgb s ALA 47 Ca -0.10 -0.94 0.00 0.00 0.00 0.00 0.00 51.96 50.92 1lgb s ALA 47 Cb -0.16 -2.87 0.00 0.00 0.00 0.00 0.00 23.12 20.09 1lgb s ALA 47 CO 0.06 -2.50 0.00 1.55 0.00 0.00 0.00 175.76 174.87