#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1drs s ILE 2 N 0.00 4.20 0.29 0.55 1.01 -1.26 -2.28 121.20 123.71 1drs s ILE 2 Ca 0.00 1.56 0.03 0.00 0.00 0.00 0.00 60.65 62.24 1drs s ILE 2 Cb 0.00 -4.00 -0.04 0.00 0.01 0.00 0.00 42.46 38.43 1drs s ILE 2 CO 0.00 0.06 0.16 0.00 0.00 0.00 0.00 174.94 175.16 1drs s TYR 4 N -3.66 3.09 -0.42 0.00 2.02 -1.26 -1.67 117.35 115.45 1drs s TYR 4 Ca 0.37 -0.10 0.09 0.00 -0.37 0.00 0.00 57.07 57.05 1drs s TYR 4 Cb 0.05 -1.41 0.35 0.00 -0.40 0.00 0.00 41.96 40.55 1drs s TYR 4 CO 0.18 0.53 1.06 -1.71 -1.57 0.00 0.00 175.55 174.03 1drs n ASN 5 N -1.01 -1.26 -1.68 2.29 5.15 -0.75 -3.98 115.26 114.02 1drs n ASN 5 Ca -0.08 -3.26 0.00 0.00 -0.60 0.00 0.00 54.58 50.64 1drs n ASN 5 Cb 0.57 1.01 0.00 0.00 -0.53 0.00 0.00 39.78 40.83 1drs n ASN 5 CO 0.00 0.00 0.00 1.41 1.40 0.00 0.00 177.26 180.07 1drs n HIS 6 N 0.14 -2.51 -3.88 1.20 8.25 -1.19 -4.56 115.22 112.66 1drs n HIS 6 Ca 0.09 0.00 0.04 0.00 -0.26 0.00 0.00 57.72 57.59 1drs n HIS 6 Cb 0.73 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.83 1drs n HIS 6 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1drs n LEU 7 N 0.00 0.00 -2.84 2.41 4.77 -0.30 -4.29 117.00 116.75 1drs n LEU 7 Ca 0.00 0.29 -0.15 0.00 -0.03 0.00 0.00 56.01 56.12 1drs n LEU 7 Cb 0.00 -0.82 0.07 0.00 -2.33 0.00 0.00 43.42 40.33 1drs n LEU 7 CO 0.00 -1.41 0.12 0.61 -1.33 0.00 0.00 177.39 175.39 1drs n GLY 8 N -0.85 -0.17 0.00 -0.72 0.00 -1.26 -3.51 105.19 98.68 1drs n GLY 8 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.01 1drs n GLY 8 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1drs n THR 9 N -3.75 0.00 -4.56 2.61 -1.04 -1.26 -5.06 114.28 101.22 1drs n THR 9 Ca -0.13 0.00 -0.26 0.00 -2.04 0.00 0.00 64.05 61.61 1drs n THR 9 Cb 0.60 0.00 -0.17 0.00 -1.82 0.00 0.00 70.33 68.94 1drs n THR 9 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 1drs s LYS 10 N 0.00 1.90 0.00 -2.82 3.01 -1.23 -5.10 119.74 115.50 1drs s LYS 10 Ca 0.00 -0.47 0.23 0.00 -1.01 0.00 0.00 55.97 54.72 1drs s LYS 10 Cb 0.00 -1.59 0.11 0.00 -1.01 0.00 0.00 37.83 35.34 1drs s LYS 10 CO 0.00 -0.00 1.17 -2.30 0.51 0.00 0.00 175.35 174.73 1drs n PRO 11 N 3.96 1.44 0.11 -1.68 -0.02 -1.26 -1.15 135.00 136.40 1drs n PRO 11 Ca -0.21 -1.17 0.13 0.00 -2.02 0.00 0.00 63.50 60.23 1drs n PRO 11 Cb 0.52 -1.48 0.39 0.00 -0.02 0.00 0.00 33.50 32.91 1drs n PRO 11 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1drs n PRO 12 N 0.25 0.27 -3.22 0.52 -0.02 -1.26 -4.51 135.00 127.03 1drs n PRO 12 Ca 0.11 0.22 -0.39 0.00 -2.02 0.00 0.00 63.50 61.41 1drs n PRO 12 Cb 0.49 -1.81 -0.06 0.00 -0.02 0.00 0.00 33.50 32.10 1drs n PRO 12 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1drs s THR 13 N -3.11 5.10 0.02 3.45 -4.23 -1.26 -5.04 115.64 110.58 1drs s THR 13 Ca 0.10 1.05 0.03 0.00 -1.18 0.00 0.00 61.69 61.69 1drs s THR 13 Cb 0.12 -3.88 -0.01 0.00 1.34 0.00 0.00 72.50 70.07 1drs s THR 13 CO 0.60 0.21 -0.09 0.42 -0.54 0.00 0.00 174.62 175.23 1drs s THR 14 N 1.34 0.66 -0.26 3.99 -4.23 -1.26 -1.82 115.64 114.06 1drs s THR 14 Ca 0.27 -0.68 -0.20 0.00 -1.18 0.00 0.00 61.69 59.89 1drs s THR 14 Cb -0.16 -0.62 0.07 0.00 1.34 0.00 0.00 72.50 73.14 1drs s THR 14 CO 0.11 -0.05 0.66 -0.70 -0.54 0.00 0.00 174.62 174.10 1drs s GLU 15 N -0.81 0.73 -0.25 3.99 2.56 -0.67 -4.99 118.70 119.26 1drs s GLU 15 Ca -0.02 1.03 -0.29 0.00 0.00 0.00 0.00 54.97 55.70 1drs s GLU 15 Cb -0.06 0.27 -0.03 0.00 2.00 0.00 0.00 34.13 36.31 1drs s GLU 15 CO 0.00 -0.12 1.79 0.99 -0.56 0.00 0.00 175.26 177.36 1drs s THR 16 N 0.87 3.48 0.01 -1.70 2.01 -1.26 -2.50 115.64 116.55 1drs s THR 16 Ca -0.04 0.52 0.06 0.00 0.31 0.00 0.00 61.69 62.53 1drs s THR 16 Cb -0.05 -3.56 -0.03 0.00 0.01 0.00 0.00 72.50 68.87 1drs s THR 16 CO -0.07 -0.30 -0.17 0.00 -0.69 0.00 0.00 174.62 173.39 1drs h GLN 18 N 4.83 0.00 -6.80 0.00 1.08 -1.94 0.37 115.11 112.66 1drs h GLN 18 Ca -0.47 0.00 -0.55 0.00 -1.45 0.00 0.00 58.65 56.18 1drs h GLN 18 Cb 1.15 0.00 0.09 0.00 -0.05 0.00 0.00 27.48 28.68 1drs h GLN 18 CO 0.49 0.80 0.78 0.39 -0.95 0.00 0.00 178.83 180.34 1drs n GLU 19 N -3.28 2.54 0.00 1.46 4.71 -1.26 -4.57 120.64 120.24 1drs n GLU 19 Ca -0.00 0.90 0.02 0.00 -0.01 0.00 0.00 57.16 58.06 1drs n GLU 19 Cb 0.88 -2.63 0.10 0.00 -1.01 0.00 0.00 31.44 28.77 1drs n GLU 19 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 1drs n ASP 20 N 1.59 0.00 -3.52 1.62 8.00 -1.26 -2.57 116.55 120.41 1drs n ASP 20 Ca 0.07 -1.17 -0.16 0.00 0.71 0.00 0.00 54.79 54.24 1drs n ASP 20 Cb 0.36 0.00 -0.05 0.00 -0.02 0.00 0.00 41.12 41.41 1drs n ASP 20 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 1drs s SER 21 N -1.47 -0.59 0.02 -2.24 0.01 -1.26 -4.84 113.70 103.33 1drs s SER 21 Ca 0.05 0.58 -0.13 0.00 1.31 0.00 0.00 55.95 57.75 1drs s SER 21 Cb 0.02 0.50 0.02 0.00 0.21 0.00 0.00 66.02 66.77 1drs s SER 21 CO 0.04 -0.60 0.29 0.00 0.41 0.00 0.00 173.24 173.37 1drs s TYR 23 N -2.11 2.10 -0.35 0.00 -0.85 -0.49 -2.43 117.35 113.22 1drs s TYR 23 Ca -0.08 -0.40 -0.09 0.00 -0.52 0.00 0.00 57.07 55.97 1drs s TYR 23 Cb -0.03 -0.98 0.02 0.00 0.38 0.00 0.00 41.96 41.35 1drs s TYR 23 CO -0.01 0.52 0.16 0.15 -1.52 0.00 0.00 175.55 174.85 1drs s LYS 24 N -3.13 2.85 -0.38 -3.49 -0.14 -0.08 -2.68 119.74 112.70 1drs s LYS 24 Ca 0.23 -1.04 -0.02 0.00 -1.36 0.00 0.00 55.97 53.78 1drs s LYS 24 Cb -0.05 -3.60 0.10 0.00 -1.68 0.00 0.00 37.83 32.59 1drs s LYS 24 CO 0.10 -0.63 0.14 1.21 -0.76 0.00 0.00 175.35 175.42 1drs s ASN 25 N 1.51 5.12 -0.35 2.83 3.04 -1.26 -3.14 114.94 122.69 1drs s ASN 25 Ca 0.01 -1.91 0.11 0.00 0.04 0.00 0.00 52.86 51.11 1drs s ASN 25 Cb -0.19 -1.78 0.45 0.00 -1.54 0.00 0.00 41.25 38.20 1drs s ASN 25 CO 0.05 -0.47 1.10 2.30 -3.04 0.00 0.00 177.10 177.05 1drs n ILE 26 N 4.55 1.99 0.00 -5.21 -0.00 -1.26 -2.00 119.36 117.43 1drs n ILE 26 Ca -0.03 -4.08 0.00 0.00 -0.00 0.00 0.00 62.75 58.64 1drs n ILE 26 Cb 0.42 -0.48 0.00 0.00 -0.00 0.00 0.00 39.64 39.58 1drs n ILE 26 CO 0.00 0.00 0.00 -2.67 -0.00 0.00 0.00 176.55 173.88 1drs n TRP 27 N -0.48 0.00 0.00 4.28 2.14 -0.52 -4.64 117.44 118.21 1drs n TRP 27 Ca 0.30 0.00 0.00 0.00 2.07 0.00 0.00 57.50 59.87 1drs n TRP 27 Cb 0.80 0.00 0.00 0.00 -0.81 0.00 0.00 31.31 31.30 1drs n TRP 27 CO 0.00 0.00 0.00 -2.37 2.07 0.00 0.00 177.69 177.39 1drs n THR 28 N 0.00 0.00 0.00 -1.67 5.66 -1.26 -1.56 114.28 115.45 1drs n THR 28 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1drs n THR 28 Cb 0.00 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 1drs n THR 28 CO 0.00 0.00 0.00 0.33 -3.05 0.00 0.00 175.07 172.35 1drs n PHE 29 N 0.00 0.00 0.95 1.09 7.35 -1.26 -4.90 117.46 120.70 1drs n PHE 29 Ca 0.00 0.00 0.12 0.00 -0.76 0.00 0.00 57.45 56.81 1drs n PHE 29 Cb 0.00 0.00 0.33 0.00 0.35 0.00 0.00 39.48 40.16 1drs n PHE 29 CO 0.00 0.00 0.00 -0.40 -0.76 0.00 0.00 176.76 175.60 1drs n ASP 30 N -0.22 0.40 -1.98 -2.13 5.75 -1.26 -5.00 116.55 112.13 1drs n ASP 30 Ca 0.00 -0.03 -0.02 0.00 -0.01 0.00 0.00 54.79 54.73 1drs n ASP 30 Cb 0.00 0.05 0.01 0.00 -1.03 0.00 0.00 41.12 40.15 1drs n ASP 30 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 1drs n ASN 31 N -1.57 -3.47 -3.80 -1.12 3.02 -0.79 -5.10 115.26 102.43 1drs n ASN 31 Ca 0.06 -0.12 -0.09 0.00 -0.03 0.00 0.00 54.58 54.39 1drs n ASN 31 Cb 0.35 -2.02 -0.06 0.00 -0.61 0.00 0.00 39.78 37.44 1drs n ASN 31 CO 0.00 0.00 0.00 -0.51 -2.62 0.00 0.00 177.26 174.13 1drs s ILE 32 N -3.06 0.10 -0.42 2.41 1.10 -0.60 -4.89 121.20 115.84 1drs s ILE 32 Ca 0.07 -1.01 -0.17 0.00 -0.51 0.00 0.00 60.65 59.02 1drs s ILE 32 Cb -0.01 -1.39 0.02 0.00 0.15 0.00 0.00 42.46 41.23 1drs s ILE 32 CO 0.21 -0.46 0.45 -0.63 -2.11 0.00 0.00 174.94 172.40 1drs s ILE 33 N -3.86 5.07 -0.41 2.00 1.09 -1.26 -1.44 121.20 122.39 1drs s ILE 33 Ca 0.07 -0.29 0.08 0.00 -1.10 0.00 0.00 60.65 59.41 1drs s ILE 33 Cb 0.03 -4.04 0.18 0.00 -1.06 0.00 0.00 42.46 37.57 1drs s ILE 33 CO -0.09 -0.42 0.62 -0.60 -0.10 0.00 0.00 174.94 174.35 1drs s ARG 34 N 2.18 0.81 0.08 2.79 3.52 -0.85 -4.42 118.95 123.06 1drs s ARG 34 Ca 0.13 -0.29 0.00 0.00 -0.13 0.00 0.00 55.73 55.45 1drs s ARG 34 Cb -0.17 0.07 -0.00 0.00 -1.56 0.00 0.00 34.95 33.29 1drs s ARG 34 CO 0.14 -1.19 0.01 2.89 -0.81 0.00 0.00 175.30 176.33 1drs n ARG 35 N 4.41 1.60 -3.81 5.12 1.85 -1.26 -4.71 116.66 119.86 1drs n ARG 35 Ca 0.11 -0.59 0.01 0.00 -1.00 0.00 0.00 57.85 56.38 1drs n ARG 35 Cb 0.57 0.19 0.01 0.00 -1.05 0.00 0.00 32.46 32.18 1drs n ARG 35 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1drs n GLY 36 N 3.55 0.36 3.62 2.89 0.00 -1.09 -4.29 105.19 110.22 1drs n GLY 36 Ca -0.03 -1.06 -0.43 0.00 0.00 0.00 0.00 46.02 44.50 1drs n GLY 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1drs n GLY 38 N 4.13 -0.59 3.22 0.00 0.00 -0.97 -4.97 105.19 106.02 1drs n GLY 38 Ca 0.10 0.53 0.00 0.00 0.00 0.00 0.00 46.02 46.65 1drs n GLY 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1drs n PHE 40 N 0.00 4.14 -3.16 0.00 3.72 -1.26 -5.01 117.46 115.88 1drs n PHE 40 Ca 0.00 -3.32 -0.40 0.00 -0.05 0.00 0.00 57.45 53.68 1drs n PHE 40 Cb 0.00 -1.70 -0.06 0.00 -0.94 0.00 0.00 39.48 36.78 1drs n PHE 40 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 1drs s THR 41 N -1.02 5.06 0.67 4.37 -4.23 -1.26 -5.09 115.64 114.15 1drs s THR 41 Ca 0.34 1.14 -0.05 0.00 -1.18 0.00 0.00 61.69 61.95 1drs s THR 41 Cb -0.02 -3.92 0.06 0.00 1.34 0.00 0.00 72.50 69.96 1drs s THR 41 CO -0.00 0.17 0.96 -2.16 -0.54 0.00 0.00 174.62 173.05 1drs s PRO 42 N 1.55 2.20 -1.04 3.99 0.04 -1.26 -4.99 135.00 135.49 1drs s PRO 42 Ca 0.28 -0.44 -0.19 0.00 0.04 0.00 0.00 61.00 60.69 1drs s PRO 42 Cb -0.16 -2.25 0.10 0.00 0.04 0.00 0.00 34.50 32.24 1drs s PRO 42 CO 0.11 -1.16 1.34 0.50 0.04 0.00 0.00 177.00 177.84 1drs s ARG 43 N -5.14 3.71 -0.03 4.56 3.00 -1.26 -4.56 118.95 119.23 1drs s ARG 43 Ca 0.60 -1.71 0.06 0.00 -1.00 0.00 0.00 55.73 53.69 1drs s ARG 43 Cb -0.10 -5.15 0.11 0.00 0.00 0.00 0.00 34.95 29.81 1drs s ARG 43 CO 0.43 -1.96 1.05 0.41 0.00 0.00 0.00 175.30 175.23 1drs n GLY 44 N 5.72 1.41 2.98 8.12 0.00 -1.26 -5.02 105.19 117.13 1drs n GLY 44 Ca 0.32 -0.32 -0.17 0.00 0.00 0.00 0.00 46.02 45.85 1drs n GLY 44 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1drs n ASP 45 N -0.21 -5.06 -4.09 1.61 8.00 -1.26 -5.03 116.55 110.51 1drs n ASP 45 Ca 0.04 -0.38 -0.33 0.00 0.71 0.00 0.00 54.79 54.82 1drs n ASP 45 Cb 0.74 -3.72 -0.14 0.00 -0.02 0.00 0.00 41.12 37.98 1drs n ASP 45 CO 0.00 0.00 0.00 -0.04 -0.39 0.00 0.00 177.20 176.77 1drs s MET 46 N -5.91 2.03 0.04 -1.24 -1.94 -1.26 -5.09 119.30 105.92 1drs s MET 46 Ca 0.41 -1.56 -0.30 0.00 -1.71 0.00 0.00 55.69 52.52 1drs s MET 46 Cb -0.18 -3.18 -0.08 0.00 2.01 0.00 0.00 34.83 33.40 1drs s MET 46 CO 0.52 -0.78 1.69 -1.25 -0.01 0.00 0.00 175.02 175.19 1drs s PRO 47 N 1.09 4.19 0.38 2.03 0.04 -1.26 -4.97 135.00 136.50 1drs s PRO 47 Ca 0.01 2.33 0.08 0.00 0.04 0.00 0.00 61.00 63.45 1drs s PRO 47 Cb -0.20 -3.75 -0.04 0.00 0.04 0.00 0.00 34.50 30.55 1drs s PRO 47 CO -0.05 -0.78 0.25 0.20 0.04 0.00 0.00 177.00 176.66 1drs s GLY 48 N 2.84 2.06 0.94 0.56 0.00 -1.26 -5.13 107.32 107.33 1drs s GLY 48 Ca 0.75 -1.88 -0.14 0.00 0.00 0.00 0.00 44.72 43.46 1drs s GLY 48 CO 0.33 -1.74 0.24 -1.05 0.00 0.00 0.00 173.10 170.87 1drs n PRO 49 N -1.33 -0.21 -3.19 2.90 -0.02 -1.26 -5.02 135.00 126.87 1drs n PRO 49 Ca -0.00 -0.03 -0.32 0.00 -2.02 0.00 0.00 63.50 61.13 1drs n PRO 49 Cb 0.62 -1.73 -0.05 0.00 -0.02 0.00 0.00 33.50 32.32 1drs n PRO 49 CO 0.00 0.00 0.00 1.52 1.98 0.00 0.00 175.50 179.00 1drs s TYR 50 N -2.31 3.41 0.24 6.00 -0.85 -1.19 -4.85 117.35 117.80 1drs s TYR 50 Ca 0.55 1.05 -0.17 0.00 -0.52 0.00 0.00 57.07 57.98 1drs s TYR 50 Cb -0.22 -2.41 0.02 0.00 0.38 0.00 0.00 41.96 39.73 1drs s TYR 50 CO 0.69 0.12 0.57 0.00 -1.52 0.00 0.00 175.55 175.41 1drs n GLU 53 N -0.31 0.00 -3.85 0.00 0.00 -1.26 -1.76 120.64 113.46 1drs n GLU 53 Ca 0.03 -1.56 -0.25 0.00 0.00 0.00 0.00 57.16 55.38 1drs n GLU 53 Cb 0.30 0.02 -0.03 0.00 0.00 0.00 0.00 31.44 31.73 1drs n GLU 53 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.13 177.58 1drs s SER 54 N -1.56 4.70 -0.18 -1.84 0.15 -1.26 -4.89 113.70 108.82 1drs s SER 54 Ca 0.21 -1.09 -0.29 0.00 0.70 0.00 0.00 55.95 55.48 1drs s SER 54 Cb 0.24 -0.01 -0.04 0.00 -1.71 0.00 0.00 66.02 64.50 1drs s SER 54 CO -0.10 -0.88 1.75 -0.62 1.20 0.00 0.00 173.24 174.59 1drs s ASP 55 N -4.17 6.27 0.00 5.45 2.15 -1.26 -3.96 116.67 121.14 1drs s ASP 55 Ca 0.39 1.83 0.00 0.00 0.43 0.00 0.00 52.55 55.20 1drs s ASP 55 Cb -0.01 -2.53 0.00 0.00 -0.30 0.00 0.00 42.92 40.08 1drs s ASP 55 CO 0.23 -1.32 0.00 0.29 -0.17 0.00 0.00 175.17 174.20 1drs n LYS 56 N 7.78 0.00 -2.69 4.34 4.76 -1.23 -4.53 118.16 126.59 1drs n LYS 56 Ca 0.20 0.00 -0.08 0.00 -2.87 0.00 0.00 58.31 55.56 1drs n LYS 56 Cb 0.44 0.00 0.04 0.00 -1.84 0.00 0.00 35.03 33.68 1drs n LYS 56 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1drs n ASN 58 N -2.06 -7.30 0.00 0.00 5.15 -1.26 -5.02 115.26 104.77 1drs n ASN 58 Ca -0.14 1.05 0.00 0.00 -0.60 0.00 0.00 54.58 54.89 1drs n ASN 58 Cb 0.58 -4.84 0.00 0.00 -0.53 0.00 0.00 39.78 34.99 1drs n ASN 58 CO 0.00 0.00 0.00 -0.11 1.40 0.00 0.00 177.26 178.55