#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 5.11 0.44 5.15 -1.09 -1.26 -2.15 121.20 127.39 1drs s ILE 2 Ca 0.00 0.82 0.03 0.00 -2.23 0.00 0.00 60.65 59.27 1drs s ILE 2 Cb 0.00 -3.80 -0.02 0.00 -1.58 0.00 0.00 42.46 37.07 1drs s ILE 2 CO 0.00 0.13 0.11 0.00 -1.23 0.00 0.00 174.94 173.95 1drs s TYR 4 N -3.12 3.46 -0.44 0.00 2.02 -1.26 -0.26 117.35 117.75 1drs s TYR 4 Ca 0.19 0.85 0.08 0.00 -0.37 0.00 0.00 57.07 57.81 1drs s TYR 4 Cb 0.02 -2.27 0.28 0.00 -0.40 0.00 0.00 41.96 39.59 1drs s TYR 4 CO 0.12 0.08 0.83 -1.71 -1.57 0.00 0.00 175.55 173.30 1drs n ASN 5 N -0.94 -1.36 -2.67 2.29 5.15 -1.06 -3.71 115.26 112.96 1drs n ASN 5 Ca 0.00 -3.21 -0.05 0.00 -0.60 0.00 0.00 54.58 50.71 1drs n ASN 5 Cb 0.54 0.83 0.01 0.00 -0.53 0.00 0.00 39.78 40.63 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 1.00 -1.98 -4.61 1.20 8.25 -1.19 -4.51 115.22 113.39 1drs n HIS 6 Ca 0.14 -0.52 0.00 0.00 -0.26 0.00 0.00 57.72 57.08 1drs n HIS 6 Cb 0.63 -0.12 0.00 0.00 1.12 0.00 0.00 29.99 31.63 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 -1.71 2.41 4.77 -0.14 -4.55 117.00 117.78 1drs n LEU 7 Ca 0.01 0.00 -0.06 0.00 -0.03 0.00 0.00 56.01 55.93 1drs n LEU 7 Cb 0.14 0.00 0.03 0.00 -2.33 0.00 0.00 43.42 41.26 1drs n LEU 7 CO 0.09 -0.87 0.05 0.61 -1.33 0.00 0.00 177.39 175.93 1drs n GLY 8 N 0.00 0.25 2.49 -0.72 0.00 -1.26 -3.64 105.19 102.31 1drs n GLY 8 Ca 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.32 0.00 -3.87 2.61 -1.04 -1.26 -5.01 114.28 103.39 1drs n THR 9 Ca -0.07 0.00 -0.36 0.00 -2.04 0.00 0.00 64.05 61.58 1drs n THR 9 Cb 0.55 0.00 -0.13 0.00 -1.82 0.00 0.00 70.33 68.92 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 2.50 0.00 -2.82 3.01 -1.24 -5.07 119.74 116.12 1drs s LYS 10 Ca 0.00 -1.23 0.27 0.00 -1.01 0.00 0.00 55.97 54.00 1drs s LYS 10 Cb 0.00 -3.24 0.86 0.00 -1.01 0.00 0.00 37.83 34.44 1drs s LYS 10 CO 0.00 -0.62 1.63 -2.30 0.51 0.00 0.00 175.35 174.57 1drs n PRO 11 N 4.67 1.18 0.13 -1.68 -0.02 -1.26 -0.97 135.00 137.05 1drs n PRO 11 Ca -0.13 -0.70 0.12 0.00 -2.02 0.00 0.00 63.50 60.77 1drs n PRO 11 Cb 0.44 -1.49 0.25 0.00 -0.02 0.00 0.00 33.50 32.69 1drs n PRO 11 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 1drs h PRO 12 N 1.71 0.00 -6.13 0.52 0.11 -1.96 -3.40 132.00 122.85 1drs h PRO 12 Ca 0.00 0.00 -0.51 0.00 0.11 0.00 0.00 66.00 65.60 1drs h PRO 12 Cb 0.51 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 31.60 1drs h PRO 12 CO 0.00 0.00 -0.47 0.95 -0.21 0.00 0.00 178.00 178.27 1drs s THR 13 N -3.17 5.12 0.06 -1.15 -4.23 -1.26 -5.04 115.64 105.96 1drs s THR 13 Ca 0.08 -0.91 0.06 0.00 -1.18 0.00 0.00 61.69 59.74 1drs s THR 13 Cb 0.10 -3.70 -0.03 0.00 1.34 0.00 0.00 72.50 70.22 1drs s THR 13 CO 0.66 -0.20 -0.17 0.42 -0.54 0.00 0.00 174.62 174.78 1drs s THR 14 N -1.87 1.39 -0.98 3.99 -4.23 -1.26 -2.56 115.64 110.13 1drs s THR 14 Ca 0.34 -1.20 -0.16 0.00 -1.18 0.00 0.00 61.69 59.48 1drs s THR 14 Cb -0.10 -1.25 0.17 0.00 1.34 0.00 0.00 72.50 72.66 1drs s THR 14 CO 0.28 0.02 1.11 -0.70 -0.54 0.00 0.00 174.62 174.79 1drs s GLU 15 N -1.38 3.75 -0.12 3.99 2.56 0.64 -4.83 118.70 123.31 1drs s GLU 15 Ca 0.04 -2.18 -0.29 0.00 0.00 0.00 0.00 54.97 52.53 1drs s GLU 15 Cb -0.09 -4.82 -0.02 0.00 2.00 0.00 0.00 34.13 31.20 1drs s GLU 15 CO 0.02 -1.63 1.30 -0.08 -0.56 0.00 0.00 175.26 174.31 1drs s THR 16 N 1.65 4.17 0.01 -1.70 -1.32 -1.26 -2.64 115.64 114.55 1drs s THR 16 Ca 0.32 1.44 -0.19 0.00 -1.21 0.00 0.00 61.69 62.04 1drs s THR 16 Cb -0.06 -3.93 0.04 0.00 -1.51 0.00 0.00 72.50 67.04 1drs s THR 16 CO -0.07 -0.09 0.42 0.00 -2.21 0.00 0.00 174.62 172.66 1drs n GLN 18 N 0.79 0.91 -2.30 0.00 1.13 -1.26 0.12 117.38 116.77 1drs n GLN 18 Ca -0.19 -0.67 -0.43 0.00 -1.94 0.00 0.00 57.00 53.77 1drs n GLN 18 Cb 0.58 -1.49 -0.02 0.00 0.11 0.00 0.00 30.24 29.42 1drs n GLN 18 CO 0.00 0.00 0.00 -2.00 -1.44 0.00 0.00 177.06 173.62 1drs s GLU 19 N -2.55 3.50 0.00 -1.09 2.56 -1.26 -4.74 118.70 115.12 1drs s GLU 19 Ca 0.20 0.94 0.00 0.00 0.00 0.00 0.00 54.97 56.12 1drs s GLU 19 Cb 0.18 -4.06 0.02 0.00 2.00 0.00 0.00 34.13 32.27 1drs s GLU 19 CO 0.58 -1.66 0.18 -0.25 -0.56 0.00 0.00 175.26 173.54 1drs n ASP 20 N 9.16 0.00 -3.61 -1.70 8.00 -1.26 -3.87 116.55 123.28 1drs n ASP 20 Ca 0.17 -0.05 -0.16 0.00 0.71 0.00 0.00 54.79 55.47 1drs n ASP 20 Cb 0.48 0.00 -0.07 0.00 -0.02 0.00 0.00 41.12 41.51 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 -1.98 -0.62 0.03 -2.24 0.01 -1.26 -4.88 113.70 102.75 1drs s SER 21 Ca 0.00 0.95 0.00 0.00 1.31 0.00 0.00 55.95 58.21 1drs s SER 21 Cb 0.00 0.90 -0.02 0.00 0.21 0.00 0.00 66.02 67.11 1drs s SER 21 CO 0.00 -0.41 -0.03 0.00 0.41 0.00 0.00 173.24 173.21 1drs s TYR 23 N -1.74 1.96 0.02 0.00 -0.85 -0.55 -2.18 117.35 114.01 1drs s TYR 23 Ca -0.13 -0.39 -0.16 0.00 -0.52 0.00 0.00 57.07 55.87 1drs s TYR 23 Cb -0.08 -1.15 -0.06 0.00 0.38 0.00 0.00 41.96 41.05 1drs s TYR 23 CO -0.02 0.13 0.45 0.15 -1.52 0.00 0.00 175.55 174.75 1drs s LYS 24 N -1.35 4.00 -0.13 -3.49 1.02 -0.10 -2.68 119.74 117.01 1drs s LYS 24 Ca 0.09 0.50 -0.05 0.00 0.02 0.00 0.00 55.97 56.53 1drs s LYS 24 Cb -0.09 -3.23 0.06 0.00 -0.52 0.00 0.00 37.83 34.05 1drs s LYS 24 CO 0.02 0.68 0.28 1.21 -0.92 0.00 0.00 175.35 176.62 1drs s ASN 25 N -1.09 0.08 0.00 2.83 2.47 -1.26 -2.35 114.94 115.63 1drs s ASN 25 Ca 0.25 0.62 0.00 0.00 0.42 0.00 0.00 52.86 54.15 1drs s ASN 25 Cb -0.17 0.66 0.00 0.00 -1.45 0.00 0.00 41.25 40.28 1drs s ASN 25 CO 0.15 -0.21 0.05 2.30 -3.72 0.00 0.00 177.10 175.66 1drs n ILE 26 N 4.96 0.00 0.00 -5.21 -0.00 -1.26 -1.78 119.36 116.08 1drs n ILE 26 Ca -0.13 -0.18 0.00 0.00 -0.00 0.00 0.00 62.75 62.44 1drs n ILE 26 Cb 0.51 1.18 0.00 0.00 -0.00 0.00 0.00 39.64 41.33 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 -0.26 0.00 -0.41 4.28 2.14 -1.22 -3.59 117.44 118.37 1drs n TRP 27 Ca 0.00 0.00 0.00 0.00 2.07 0.00 0.00 57.50 59.57 1drs n TRP 27 Cb 0.04 0.00 0.00 0.00 -0.81 0.00 0.00 31.31 30.54 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 -1.53 114.28 115.48 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 -0.02 0.00 0.00 -1.55 0.00 0.00 70.33 68.76 1drs n THR 28 CO 0.00 0.00 0.00 0.49 -3.05 0.00 0.00 175.07 172.51 1drs n PHE 29 N -2.00 0.00 0.98 1.09 3.72 -1.26 -4.71 117.46 115.28 1drs n PHE 29 Ca 0.00 0.00 0.14 0.00 -0.05 0.00 0.00 57.45 57.54 1drs n PHE 29 Cb 0.00 0.00 0.56 0.00 -0.94 0.00 0.00 39.48 39.10 1drs n PHE 29 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 176.76 176.31 1drs n ASP 30 N 1.43 0.11 -1.66 4.37 5.75 -1.26 -5.01 116.55 120.28 1drs n ASP 30 Ca 0.00 0.40 -0.00 0.00 -0.01 0.00 0.00 54.79 55.18 1drs n ASP 30 Cb 0.00 -0.41 0.00 0.00 -1.03 0.00 0.00 41.12 39.68 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 -1.55 -2.65 -3.48 -1.12 3.02 -0.85 -5.11 115.26 103.52 1drs n ASN 31 Ca 0.07 0.03 -0.11 0.00 -0.03 0.00 0.00 54.58 54.53 1drs n ASN 31 Cb 0.35 -1.48 -0.03 0.00 -0.61 0.00 0.00 39.78 38.00 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 -1.99 0.00 -0.61 2.41 1.10 -0.58 -5.00 121.20 116.53 1drs s ILE 32 Ca 0.02 0.00 -0.23 0.00 -0.51 0.00 0.00 60.65 59.93 1drs s ILE 32 Cb -0.00 -1.00 0.06 0.00 0.15 0.00 0.00 42.46 41.67 1drs s ILE 32 CO 0.08 0.00 0.92 -0.63 -2.11 0.00 0.00 174.94 173.20 1drs s ILE 33 N -2.92 4.41 -0.24 2.00 -1.09 -1.26 -3.44 121.20 118.66 1drs s ILE 33 Ca 0.01 -0.23 -0.03 0.00 -2.23 0.00 0.00 60.65 58.17 1drs s ILE 33 Cb -0.01 -4.60 0.13 0.00 -1.58 0.00 0.00 42.46 36.40 1drs s ILE 33 CO -0.07 -1.30 0.39 -0.60 -1.23 0.00 0.00 174.94 172.13 1drs s ARG 34 N 3.85 0.35 0.00 2.79 3.52 -0.73 -4.65 118.95 124.07 1drs s ARG 34 Ca 0.23 0.59 0.00 0.00 -0.13 0.00 0.00 55.73 56.42 1drs s ARG 34 Cb -0.16 -0.38 0.00 0.00 -1.56 0.00 0.00 34.95 32.85 1drs s ARG 34 CO 0.13 -0.61 0.00 2.89 -0.81 0.00 0.00 175.30 176.90 1drs n ARG 35 N 5.37 0.00 -3.15 5.12 1.85 -1.26 -4.63 116.66 119.96 1drs n ARG 35 Ca -0.04 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.81 1drs n ARG 35 Cb 0.50 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.91 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 0.00 -1.30 3.66 2.89 0.00 -1.09 -4.28 105.19 105.07 1drs n GLY 36 Ca 0.00 -0.94 -0.41 0.00 0.00 0.00 0.00 46.02 44.67 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 3.57 -1.50 4.89 0.00 0.00 -1.05 -4.96 105.19 106.15 1drs n GLY 38 Ca 0.05 0.59 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 3.31 -4.30 0.00 3.72 -1.26 -4.94 117.46 113.99 1drs n PHE 40 Ca 0.00 -2.89 -0.34 0.00 -0.05 0.00 0.00 57.45 54.17 1drs n PHE 40 Cb 0.00 -2.00 -0.13 0.00 -0.94 0.00 0.00 39.48 36.41 1drs n PHE 40 CO 0.00 0.00 0.00 -0.08 -0.05 0.00 0.00 176.76 176.63 1drs s THR 41 N 0.62 3.57 0.64 4.37 -1.32 -1.26 -5.13 115.64 117.13 1drs s THR 41 Ca 0.40 -0.45 -0.16 0.00 -1.21 0.00 0.00 61.69 60.27 1drs s THR 41 Cb 0.07 -2.58 -0.01 0.00 -1.51 0.00 0.00 72.50 68.47 1drs s THR 41 CO 0.00 0.47 1.12 -2.84 -2.21 0.00 0.00 174.62 171.17 1drs s PRO 42 N 0.76 2.89 -0.89 7.08 0.02 -1.26 -4.98 135.00 138.62 1drs s PRO 42 Ca -0.02 1.47 -0.16 0.00 0.02 0.00 0.00 61.00 62.31 1drs s PRO 42 Cb -0.15 -1.95 0.18 0.00 0.02 0.00 0.00 34.50 32.60 1drs s PRO 42 CO 0.02 -1.20 0.95 0.50 -0.33 0.00 0.00 177.00 176.94 1drs s ARG 43 N -3.89 3.64 -0.14 5.54 3.52 -1.26 -4.91 118.95 121.45 1drs s ARG 43 Ca 0.69 -2.20 -0.02 0.00 -0.13 0.00 0.00 55.73 54.06 1drs s ARG 43 Cb -0.22 -4.66 -0.01 0.00 -1.56 0.00 0.00 34.95 28.51 1drs s ARG 43 CO 0.38 -1.50 2.54 0.41 -0.81 0.00 0.00 175.30 176.32 1drs n GLY 44 N 4.56 3.28 3.59 8.12 0.00 -1.26 -4.67 105.19 118.81 1drs n GLY 44 Ca 0.19 -0.85 -0.22 0.00 0.00 0.00 0.00 46.02 45.15 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 1.39 -3.02 -3.65 1.61 8.00 -1.26 -5.01 116.55 114.61 1drs n ASP 45 Ca 0.25 -0.82 -0.03 0.00 0.71 0.00 0.00 54.79 54.91 1drs n ASP 45 Cb 0.63 -4.24 -0.05 0.00 -0.02 0.00 0.00 41.12 37.44 1drs n ASP 45 CO 0.00 0.00 0.00 -0.32 -0.39 0.00 0.00 177.20 176.49 1drs s MET 46 N -5.63 0.59 0.21 -1.24 1.75 -1.26 -5.15 119.30 108.57 1drs s MET 46 Ca 0.17 1.38 -0.32 0.00 -1.25 0.00 0.00 55.69 55.67 1drs s MET 46 Cb -0.04 0.68 -0.11 0.00 2.84 0.00 0.00 34.83 38.19 1drs s MET 46 CO 0.80 -0.19 1.66 -2.14 -0.65 0.00 0.00 175.02 174.50 1drs s PRO 47 N 2.59 4.15 0.68 4.11 0.02 -1.26 -4.84 135.00 140.45 1drs s PRO 47 Ca -0.07 2.54 -0.05 0.00 0.02 0.00 0.00 61.00 63.44 1drs s PRO 47 Cb -0.10 -3.09 0.06 0.00 0.02 0.00 0.00 34.50 31.39 1drs s PRO 47 CO -0.19 -0.69 0.98 0.20 -0.33 0.00 0.00 177.00 176.97 1drs s GLY 48 N 1.05 1.71 1.22 0.52 0.00 -1.26 -5.10 107.32 105.46 1drs s GLY 48 Ca 0.72 -0.99 -0.20 0.00 0.00 0.00 0.00 44.72 44.25 1drs s GLY 48 CO 0.34 -0.60 1.11 2.56 0.00 0.00 0.00 173.10 176.51 1drs s PRO 49 N -5.18 -1.35 -0.04 2.90 0.04 -1.26 -5.09 135.00 125.02 1drs s PRO 49 Ca 0.60 -0.09 0.06 0.00 0.04 0.00 0.00 61.00 61.61 1drs s PRO 49 Cb -0.11 -1.58 -0.01 0.00 0.04 0.00 0.00 34.50 32.84 1drs s PRO 49 CO 0.44 -3.79 -0.21 1.52 0.04 0.00 0.00 177.00 174.99 1drs s TYR 50 N -2.99 2.02 0.39 0.56 1.13 -0.99 -4.96 117.35 112.51 1drs s TYR 50 Ca 0.71 -0.51 0.08 0.00 -1.41 0.00 0.00 57.07 55.94 1drs s TYR 50 Cb -0.09 -1.33 -0.07 0.00 -1.10 0.00 0.00 41.96 39.37 1drs s TYR 50 CO 0.56 -0.12 0.01 0.00 -2.51 0.00 0.00 175.55 173.48 1drs n GLU 53 N 0.90 3.40 -4.31 0.00 0.28 -1.26 -1.96 120.64 117.69 1drs n GLU 53 Ca -0.20 -4.49 -0.18 0.00 -0.16 0.00 0.00 57.16 52.14 1drs n GLU 53 Cb 0.58 -2.25 -0.09 0.00 1.43 0.00 0.00 31.44 31.11 1drs n GLU 53 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 1drs s SER 54 N -3.45 1.45 -0.25 -1.84 0.15 -1.26 -5.03 113.70 103.47 1drs s SER 54 Ca 0.48 -1.60 -0.25 0.00 0.70 0.00 0.00 55.95 55.29 1drs s SER 54 Cb 0.40 0.44 -0.00 0.00 -1.71 0.00 0.00 66.02 65.14 1drs s SER 54 CO -0.20 -0.93 0.84 -0.62 1.20 0.00 0.00 173.24 173.53 1drs s ASP 55 N -3.36 6.82 0.00 5.45 2.15 -1.26 -4.50 116.67 121.97 1drs s ASP 55 Ca 0.37 0.99 0.00 0.00 0.43 0.00 0.00 52.55 54.34 1drs s ASP 55 Cb 0.04 -2.44 0.00 0.00 -0.30 0.00 0.00 42.92 40.23 1drs s ASP 55 CO 0.19 -0.54 0.00 0.29 -0.17 0.00 0.00 175.17 174.94 1drs n LYS 56 N 6.07 0.00 -1.83 4.34 4.01 -0.62 -4.66 118.16 125.46 1drs n LYS 56 Ca 0.06 0.00 -0.02 0.00 -0.51 0.00 0.00 58.31 57.84 1drs n LYS 56 Cb 0.48 0.00 -0.00 0.00 -0.51 0.00 0.00 35.03 34.99 1drs n LYS 56 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1drs n ASN 58 N 1.69 -7.67 0.00 0.00 4.13 -1.26 -5.10 115.26 107.05 1drs n ASN 58 Ca -0.02 -0.01 0.00 0.00 1.68 0.00 0.00 54.58 56.23 1drs n ASN 58 Cb 0.42 -5.12 0.00 0.00 -1.54 0.00 0.00 39.78 33.55 1drs n ASN 58 CO 0.00 0.00 0.00 -0.11 0.28 0.00 0.00 177.26 177.43