#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 5.10 -0.02 8.89 1.01 -1.26 -2.59 121.20 132.33 1drs s ILE 2 Ca 0.00 1.12 -0.02 0.00 0.00 0.00 0.00 60.65 61.75 1drs s ILE 2 Cb 0.00 -3.89 0.00 0.00 0.01 0.00 0.00 42.46 38.59 1drs s ILE 2 CO 0.00 0.33 0.06 0.00 0.00 0.00 0.00 174.94 175.33 1drs n TYR 4 N 2.95 -3.75 -2.70 0.00 4.01 -1.26 -1.98 117.16 114.43 1drs n TYR 4 Ca -0.13 -0.49 -0.06 0.00 -0.16 0.00 0.00 57.90 57.06 1drs n TYR 4 Cb 0.59 -0.48 0.10 0.00 -0.31 0.00 0.00 39.34 39.24 1drs n TYR 4 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 1drs n ASN 5 N -3.57 -1.00 -0.84 7.72 5.15 -0.36 -4.49 115.26 117.86 1drs n ASN 5 Ca 0.07 -2.42 0.00 0.00 -0.60 0.00 0.00 54.58 51.63 1drs n ASN 5 Cb 0.26 0.58 0.00 0.00 -0.53 0.00 0.00 39.78 40.09 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 -0.72 0.00 -1.51 1.20 8.25 -1.12 -4.40 115.22 116.93 1drs n HIS 6 Ca -0.04 0.00 0.15 0.00 -0.26 0.00 0.00 57.72 57.57 1drs n HIS 6 Cb 0.85 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.92 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 0.00 2.41 4.32 -1.23 -4.72 117.00 117.77 1drs n LEU 7 Ca 0.00 1.17 0.00 0.00 -0.02 0.00 0.00 56.01 57.16 1drs n LEU 7 Cb 0.00 -3.29 0.00 0.00 -1.62 0.00 0.00 43.42 38.51 1drs n LEU 7 CO 0.00 -2.25 0.00 0.61 -1.22 0.00 0.00 177.39 174.53 1drs n GLY 8 N -3.35 1.77 0.00 -0.72 0.00 -1.26 -3.61 105.19 98.02 1drs n GLY 8 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 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 -2.00 0.00 -1.74 2.61 -1.04 -1.26 -4.99 114.28 105.86 1drs n THR 9 Ca 0.00 0.00 -0.42 0.00 -2.04 0.00 0.00 64.05 61.59 1drs n THR 9 Cb 0.00 0.00 -0.02 0.00 -1.82 0.00 0.00 70.33 68.49 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 4.11 0.00 -2.82 3.01 -1.24 -5.01 119.74 117.79 1drs s LYS 10 Ca 0.00 2.61 0.19 0.00 -1.01 0.00 0.00 55.97 57.76 1drs s LYS 10 Cb 0.00 -3.04 -0.02 0.00 -1.01 0.00 0.00 37.83 33.76 1drs s LYS 10 CO 0.00 -0.70 0.94 -2.30 0.51 0.00 0.00 175.35 173.80 1drs n PRO 11 N 2.91 1.46 -0.01 -1.68 -0.02 -1.26 -3.56 135.00 132.85 1drs n PRO 11 Ca 0.11 -0.84 -0.06 0.00 -2.02 0.00 0.00 63.50 60.70 1drs n PRO 11 Cb 0.36 -1.36 -0.12 0.00 -0.02 0.00 0.00 33.50 32.36 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 -0.16 0.63 -2.81 0.52 -0.02 -1.26 -4.87 135.00 127.03 1drs n PRO 12 Ca 0.07 0.25 -0.40 0.00 -2.02 0.00 0.00 63.50 61.41 1drs n PRO 12 Cb 0.39 -1.78 -0.06 0.00 -0.02 0.00 0.00 33.50 32.03 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 -2.71 4.22 0.24 3.45 -4.23 -1.26 -5.00 115.64 110.35 1drs s THR 13 Ca -0.04 1.99 0.05 0.00 -1.18 0.00 0.00 61.69 62.50 1drs s THR 13 Cb 0.08 -4.28 -0.05 0.00 1.34 0.00 0.00 72.50 69.59 1drs s THR 13 CO 0.82 0.47 -0.03 0.42 -0.54 0.00 0.00 174.62 175.77 1drs s THR 14 N -0.97 1.23 -0.29 3.99 -4.23 -1.26 -1.23 115.64 112.89 1drs s THR 14 Ca 0.41 -2.06 -0.01 0.00 -1.18 0.00 0.00 61.69 58.84 1drs s THR 14 Cb -0.25 -2.33 0.09 0.00 1.34 0.00 0.00 72.50 71.36 1drs s THR 14 CO 0.30 -0.36 0.09 -1.61 -0.54 0.00 0.00 174.62 172.50 1drs s GLU 15 N -3.81 0.68 -0.62 3.99 2.02 -0.84 -4.79 118.70 115.32 1drs s GLU 15 Ca 0.28 -0.92 -0.28 0.00 0.02 0.00 0.00 54.97 54.06 1drs s GLU 15 Cb 0.05 -1.94 0.03 0.00 0.10 0.00 0.00 34.13 32.36 1drs s GLU 15 CO 0.09 -0.93 1.25 0.99 0.02 0.00 0.00 175.26 176.68 1drs s THR 16 N 1.69 3.90 0.10 3.63 2.01 -1.26 -2.56 115.64 123.15 1drs s THR 16 Ca 0.08 0.73 0.10 0.00 0.31 0.00 0.00 61.69 62.91 1drs s THR 16 Cb -0.17 -4.73 -0.04 0.00 0.01 0.00 0.00 72.50 67.57 1drs s THR 16 CO -0.23 -1.45 -0.25 0.00 -0.69 0.00 0.00 174.62 172.00 1drs n GLN 18 N 1.14 2.00 -2.09 0.00 7.27 -1.26 0.50 117.38 124.94 1drs n GLN 18 Ca -0.18 -0.01 -0.41 0.00 0.07 0.00 0.00 57.00 56.47 1drs n GLN 18 Cb 0.53 -1.21 -0.03 0.00 2.41 0.00 0.00 30.24 31.94 1drs n GLN 18 CO 0.00 0.00 0.00 -2.00 0.07 0.00 0.00 177.06 175.13 1drs s GLU 19 N -2.44 3.11 0.00 3.69 2.12 -1.26 -4.82 118.70 119.10 1drs s GLU 19 Ca 0.05 0.98 0.00 0.00 0.36 0.00 0.00 54.97 56.37 1drs s GLU 19 Cb 0.11 -4.24 0.00 0.00 0.26 0.00 0.00 34.13 30.27 1drs s GLU 19 CO 0.61 -2.14 0.29 -0.25 -0.54 0.00 0.00 175.26 173.24 1drs n ASP 20 N 10.92 0.00 -3.81 -1.70 8.00 -1.26 -4.59 116.55 124.12 1drs n ASP 20 Ca 0.20 0.00 -0.12 0.00 0.71 0.00 0.00 54.79 55.58 1drs n ASP 20 Cb 0.49 0.00 -0.10 0.00 -0.02 0.00 0.00 41.12 41.49 1drs n ASP 20 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1drs s SER 21 N -1.60 -0.13 0.02 -2.24 1.04 -1.26 -4.80 113.70 104.73 1drs s SER 21 Ca 0.00 0.08 -0.01 0.00 0.48 0.00 0.00 55.95 56.49 1drs s SER 21 Cb 0.00 0.32 -0.02 0.00 0.10 0.00 0.00 66.02 66.42 1drs s SER 21 CO 0.00 -0.34 -0.01 0.00 0.98 0.00 0.00 173.24 173.87 1drs s TYR 23 N -1.88 2.64 -0.31 0.00 -0.85 -0.04 -1.84 117.35 115.07 1drs s TYR 23 Ca -0.12 -0.24 0.00 0.00 -0.52 0.00 0.00 57.07 56.19 1drs s TYR 23 Cb -0.07 -1.18 0.07 0.00 0.38 0.00 0.00 41.96 41.16 1drs s TYR 23 CO -0.02 0.63 -0.00 0.15 -1.52 0.00 0.00 175.55 174.78 1drs s LYS 24 N -3.66 2.19 -0.20 -3.49 1.02 -0.24 -2.77 119.74 112.60 1drs s LYS 24 Ca 0.31 -1.44 -0.02 0.00 0.02 0.00 0.00 55.97 54.85 1drs s LYS 24 Cb -0.06 -3.14 0.00 0.00 -0.52 0.00 0.00 37.83 34.11 1drs s LYS 24 CO 0.19 -0.70 -0.11 1.21 -0.92 0.00 0.00 175.35 175.02 1drs s ASN 25 N 1.22 3.82 0.00 2.83 2.47 -1.26 -3.29 114.94 120.73 1drs s ASN 25 Ca -0.03 -0.49 0.00 0.00 0.42 0.00 0.00 52.86 52.77 1drs s ASN 25 Cb -0.20 -1.63 0.00 0.00 -1.45 0.00 0.00 41.25 37.97 1drs s ASN 25 CO -0.04 0.00 0.00 2.30 -3.72 0.00 0.00 177.10 175.65 1drs n ILE 26 N 4.63 0.00 -1.20 -5.21 -0.00 -1.25 -1.78 119.36 114.55 1drs n ILE 26 Ca -0.19 -0.38 -0.17 0.00 -0.00 0.00 0.00 62.75 62.01 1drs n ILE 26 Cb 0.51 0.89 0.22 0.00 -0.00 0.00 0.00 39.64 41.25 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 -1.07 2.70 -1.76 4.28 2.14 -1.25 -3.44 117.44 119.04 1drs n TRP 27 Ca 0.00 -1.64 -0.30 0.00 2.07 0.00 0.00 57.50 57.64 1drs n TRP 27 Cb 0.00 -0.83 0.20 0.00 -0.81 0.00 0.00 31.31 29.88 1drs n TRP 27 CO 0.00 0.00 0.00 -0.08 2.07 0.00 0.00 177.69 179.68 1drs s THR 28 N -3.21 1.91 0.19 -1.67 -1.32 -1.24 -4.87 115.64 105.43 1drs s THR 28 Ca 0.55 0.00 -0.12 0.00 -1.21 0.00 0.00 61.69 60.91 1drs s THR 28 Cb 0.46 -2.90 0.11 0.00 -1.51 0.00 0.00 72.50 68.66 1drs s THR 28 CO 0.11 0.00 1.85 -0.26 -2.21 0.00 0.00 174.62 174.10 1drs h PHE 29 N -1.89 0.76 0.00 9.09 0.04 -1.98 -0.41 116.94 122.55 1drs h PHE 29 Ca -0.44 0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.35 1drs h PHE 29 Cb 1.24 -0.25 0.00 0.00 2.20 0.00 0.00 35.95 39.13 1drs h PHE 29 CO -1.50 0.46 0.00 -0.25 -0.60 0.00 0.00 178.31 176.42 1drs n ASP 30 N -4.68 0.00 -2.97 2.17 8.00 -1.26 -4.90 116.55 112.91 1drs n ASP 30 Ca 0.05 -0.49 -0.03 0.00 0.71 0.00 0.00 54.79 55.03 1drs n ASP 30 Cb 0.05 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.15 1drs n ASP 30 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1drs n ASN 31 N -0.98 -7.85 -3.65 -2.24 3.02 -0.16 -4.87 115.26 98.52 1drs n ASN 31 Ca 0.11 0.18 -0.05 0.00 -0.03 0.00 0.00 54.58 54.78 1drs n ASN 31 Cb 0.05 -5.34 -0.02 0.00 -0.61 0.00 0.00 39.78 33.87 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 -2.84 0.00 -0.78 2.41 1.10 -1.22 -4.94 121.20 114.92 1drs s ILE 32 Ca 0.10 -0.39 -0.21 0.00 -0.51 0.00 0.00 60.65 59.64 1drs s ILE 32 Cb -0.03 -1.61 0.09 0.00 0.15 0.00 0.00 42.46 41.07 1drs s ILE 32 CO 0.75 0.00 1.05 -0.63 -2.11 0.00 0.00 174.94 174.01 1drs s ILE 33 N -3.20 4.45 -0.10 2.00 -1.09 -1.26 -3.72 121.20 118.27 1drs s ILE 33 Ca 0.09 -0.83 -0.05 0.00 -2.23 0.00 0.00 60.65 57.64 1drs s ILE 33 Cb -0.01 -4.74 0.05 0.00 -1.58 0.00 0.00 42.46 36.17 1drs s ILE 33 CO -0.02 -1.51 0.23 -0.60 -1.23 0.00 0.00 174.94 171.81 1drs s ARG 34 N 3.62 0.17 0.00 2.79 3.52 -0.73 -4.71 118.95 123.60 1drs s ARG 34 Ca 0.27 0.54 0.00 0.00 -0.13 0.00 0.00 55.73 56.41 1drs s ARG 34 Cb -0.11 -0.13 0.00 0.00 -1.56 0.00 0.00 34.95 33.15 1drs s ARG 34 CO 0.02 -0.19 0.00 2.89 -0.81 0.00 0.00 175.30 177.21 1drs n ARG 35 N 4.47 0.00 -3.52 5.12 -4.01 -1.26 -4.41 116.66 113.05 1drs n ARG 35 Ca -0.21 0.00 0.00 0.00 -1.04 0.00 0.00 57.85 56.60 1drs n ARG 35 Cb 0.52 0.00 0.00 0.00 -3.04 0.00 0.00 32.46 29.94 1drs n ARG 35 CO 0.00 0.00 0.00 0.41 -3.04 0.00 0.00 177.63 175.00 1drs n GLY 36 N 0.00 -1.08 3.68 2.89 0.00 -1.12 -4.58 105.19 104.98 1drs n GLY 36 Ca 0.00 -0.98 -0.42 0.00 0.00 0.00 0.00 46.02 44.62 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 3.84 -0.05 4.38 0.00 0.00 -1.09 -4.90 105.19 107.38 1drs n GLY 38 Ca 0.15 0.54 0.00 0.00 0.00 0.00 0.00 46.02 46.71 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 1.84 -2.42 0.00 3.72 -1.26 -4.96 117.46 114.38 1drs n PHE 40 Ca 0.00 -2.55 -0.42 0.00 -0.05 0.00 0.00 57.45 54.43 1drs n PHE 40 Cb 0.00 -2.13 -0.03 0.00 -0.94 0.00 0.00 39.48 36.38 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 2.48 3.88 -0.81 4.37 -4.23 -1.26 -4.97 115.64 115.09 1drs s THR 41 Ca 0.59 1.43 -0.25 0.00 -1.18 0.00 0.00 61.69 62.28 1drs s THR 41 Cb 0.16 -3.92 0.01 0.00 1.34 0.00 0.00 72.50 70.10 1drs s THR 41 CO -0.05 0.16 1.58 -2.84 -0.54 0.00 0.00 174.62 172.94 1drs s PRO 42 N 0.54 3.05 -0.49 3.99 0.02 -1.26 -4.95 135.00 135.89 1drs s PRO 42 Ca 0.56 -0.28 -0.18 0.00 0.02 0.00 0.00 61.00 61.12 1drs s PRO 42 Cb -0.30 -4.70 0.06 0.00 0.02 0.00 0.00 34.50 29.58 1drs s PRO 42 CO 0.32 -2.53 0.54 -0.98 -0.33 0.00 0.00 177.00 174.02 1drs s ARG 43 N 6.08 3.07 -1.27 5.54 1.70 -1.26 -4.95 118.95 127.86 1drs s ARG 43 Ca 0.52 -1.05 -0.07 0.00 -0.47 0.00 0.00 55.73 54.66 1drs s ARG 43 Cb -0.07 -4.11 0.02 0.00 -0.57 0.00 0.00 34.95 30.22 1drs s ARG 43 CO 0.07 -1.14 2.70 0.41 -1.08 0.00 0.00 175.30 176.26 1drs n GLY 44 N 5.18 4.66 3.72 3.88 0.00 -1.26 -4.57 105.19 116.81 1drs n GLY 44 Ca -0.09 -1.79 -0.25 0.00 0.00 0.00 0.00 46.02 43.89 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 2.34 -2.69 -3.67 1.61 9.92 -1.26 -5.01 116.55 117.78 1drs n ASP 45 Ca 0.66 -0.92 -0.15 0.00 -0.53 0.00 0.00 54.79 53.85 1drs n ASP 45 Cb 0.31 -3.68 -0.14 0.00 -0.64 0.00 0.00 41.12 36.97 1drs n ASP 45 CO 0.00 0.00 0.00 -0.32 0.13 0.00 0.00 177.20 177.01 1drs s MET 46 N -6.00 0.11 1.08 -1.24 -2.45 -1.26 -5.18 119.30 104.36 1drs s MET 46 Ca 0.19 0.65 -0.14 0.00 -1.25 0.00 0.00 55.69 55.14 1drs s MET 46 Cb -0.06 -0.13 0.18 0.00 1.25 0.00 0.00 34.83 36.07 1drs s MET 46 CO 0.84 -0.28 0.70 -2.30 1.05 0.00 0.00 175.02 175.04 1drs n PRO 47 N 5.19 -1.55 -3.01 4.11 -0.02 -1.26 -4.66 135.00 133.80 1drs n PRO 47 Ca -0.08 -0.42 -0.08 0.00 -2.02 0.00 0.00 63.50 60.90 1drs n PRO 47 Cb 0.50 -2.05 -0.00 0.00 -0.02 0.00 0.00 33.50 31.93 1drs n PRO 47 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1drs n GLY 48 N 1.19 1.86 3.74 -1.23 0.00 -1.26 -5.07 105.19 104.42 1drs n GLY 48 Ca 0.05 -1.35 -0.34 0.00 0.00 0.00 0.00 46.02 44.38 1drs n GLY 48 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1drs s PRO 49 N -2.29 2.46 0.04 1.61 0.02 -1.26 -5.01 135.00 130.57 1drs s PRO 49 Ca 0.15 1.66 -0.23 0.00 0.02 0.00 0.00 61.00 62.60 1drs s PRO 49 Cb -0.02 -1.88 -0.06 0.00 0.02 0.00 0.00 34.50 32.56 1drs s PRO 49 CO 0.11 -1.57 0.71 1.52 -0.33 0.00 0.00 177.00 177.44 1drs s TYR 50 N -2.02 3.73 0.34 6.54 1.13 -1.21 -4.86 117.35 121.00 1drs s TYR 50 Ca 0.73 1.39 0.04 0.00 -1.41 0.00 0.00 57.07 57.82 1drs s TYR 50 Cb -0.27 -2.74 -0.07 0.00 -1.10 0.00 0.00 41.96 37.78 1drs s TYR 50 CO 0.42 0.32 0.05 0.00 -2.51 0.00 0.00 175.55 173.82 1drs n GLU 53 N 0.20 1.86 -3.76 0.00 0.28 -1.26 -1.85 120.64 116.12 1drs n GLU 53 Ca -0.13 -3.95 -0.11 0.00 -0.16 0.00 0.00 57.16 52.80 1drs n GLU 53 Cb 0.59 -1.91 -0.07 0.00 1.43 0.00 0.00 31.44 31.48 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 -2.85 -0.11 -0.08 -1.84 0.15 -1.26 -5.06 113.70 102.65 1drs s SER 54 Ca 0.43 -0.21 -0.30 0.00 0.70 0.00 0.00 55.95 56.57 1drs s SER 54 Cb 0.33 0.36 -0.05 0.00 -1.71 0.00 0.00 66.02 64.94 1drs s SER 54 CO -0.10 -0.62 1.64 -0.62 1.20 0.00 0.00 173.24 174.74 1drs s ASP 55 N -2.10 6.63 0.00 5.45 2.15 -1.26 -3.87 116.67 123.67 1drs s ASP 55 Ca -0.05 2.14 0.00 0.00 0.43 0.00 0.00 52.55 55.07 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 -0.04 -0.97 0.00 0.29 -0.17 0.00 0.00 175.17 174.28 1drs n LYS 56 N 7.19 0.00 -3.11 4.34 4.76 -1.25 -4.63 118.16 125.45 1drs n LYS 56 Ca 0.17 0.00 -0.13 0.00 -2.87 0.00 0.00 58.31 55.48 1drs n LYS 56 Cb 0.43 0.00 0.07 0.00 -1.84 0.00 0.00 35.03 33.69 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 -2.70 0.00 0.00 0.00 3.02 -1.26 -5.08 115.26 109.24 1drs n ASN 58 Ca -0.22 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.33 1drs n ASN 58 Cb 0.63 -0.52 0.00 0.00 -0.61 0.00 0.00 39.78 39.28 1drs n ASN 58 CO 0.00 0.00 0.00 -0.11 -2.62 0.00 0.00 177.26 174.53