#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 5.06 0.10 5.15 1.01 -1.26 -1.86 121.20 129.40 1drs s ILE 2 Ca 0.00 0.65 0.02 0.00 0.00 0.00 0.00 60.65 61.31 1drs s ILE 2 Cb 0.00 -3.86 -0.04 0.00 0.01 0.00 0.00 42.46 38.57 1drs s ILE 2 CO 0.00 -0.02 -0.06 0.00 0.00 0.00 0.00 174.94 174.86 1drs s TYR 4 N -3.65 3.57 -0.44 0.00 2.02 -1.26 -0.90 117.35 116.69 1drs s TYR 4 Ca 0.12 0.60 0.07 0.00 -0.37 0.00 0.00 57.07 57.49 1drs s TYR 4 Cb 0.05 -2.11 0.41 0.00 -0.40 0.00 0.00 41.96 39.91 1drs s TYR 4 CO -0.05 0.56 1.05 -1.71 -1.57 0.00 0.00 175.55 173.83 1drs n ASN 5 N 2.48 4.12 -2.00 2.29 5.15 -0.95 -3.68 115.26 122.66 1drs n ASN 5 Ca -0.17 -3.56 0.00 0.00 -0.60 0.00 0.00 54.58 50.25 1drs n ASN 5 Cb 0.53 -0.49 0.00 0.00 -0.53 0.00 0.00 39.78 39.29 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 -0.36 -2.41 -2.02 1.20 8.25 -1.15 -4.72 115.22 114.01 1drs n HIS 6 Ca 0.33 0.00 0.03 0.00 -0.26 0.00 0.00 57.72 57.82 1drs n HIS 6 Cb 0.64 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.74 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 -0.03 -4.63 117.00 119.07 1drs n LEU 7 Ca 0.00 0.21 0.00 0.00 -0.02 0.00 0.00 56.01 56.20 1drs n LEU 7 Cb 0.00 -0.58 0.00 0.00 -1.62 0.00 0.00 43.42 41.22 1drs n LEU 7 CO 0.00 -0.52 0.00 0.61 -1.22 0.00 0.00 177.39 176.26 1drs n GLY 8 N -1.00 2.58 0.07 -0.72 0.00 -1.26 -3.88 105.19 100.99 1drs n GLY 8 Ca 0.00 -0.64 0.00 0.00 0.00 0.00 0.00 46.02 45.38 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 0.00 0.00 -3.80 2.61 -1.04 -1.26 -5.11 114.28 105.67 1drs n THR 9 Ca 0.00 0.00 -0.37 0.00 -2.04 0.00 0.00 64.05 61.64 1drs n THR 9 Cb 0.00 0.00 -0.13 0.00 -1.82 0.00 0.00 70.33 68.38 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 -1.18 2.54 0.00 -2.82 1.02 -1.25 -5.06 119.74 112.99 1drs s LYS 10 Ca 0.00 -1.22 0.12 0.00 0.02 0.00 0.00 55.97 54.88 1drs s LYS 10 Cb 0.00 -3.37 0.53 0.00 -0.52 0.00 0.00 37.83 34.47 1drs s LYS 10 CO 0.00 -0.66 1.36 -0.35 -0.92 0.00 0.00 175.35 174.79 1drs n PRO 11 N 4.74 1.30 0.09 -1.68 -0.04 -1.26 -0.85 135.00 137.30 1drs n PRO 11 Ca -0.12 -0.46 0.03 0.00 -0.04 0.00 0.00 63.50 62.90 1drs n PRO 11 Cb 0.44 -1.21 -0.02 0.00 -0.04 0.00 0.00 33.50 32.67 1drs n PRO 11 CO 0.00 0.00 0.00 -1.35 -0.04 0.00 0.00 175.50 174.11 1drs h PRO 12 N 0.83 0.00 -6.82 0.54 0.11 -1.95 -3.41 132.00 121.29 1drs h PRO 12 Ca 0.00 0.00 -0.48 0.00 0.11 0.00 0.00 66.00 65.63 1drs h PRO 12 Cb 0.19 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.29 1drs h PRO 12 CO 0.00 0.32 0.38 0.95 -0.21 0.00 0.00 178.00 179.43 1drs s THR 13 N -3.01 3.98 0.07 -1.15 -4.23 -1.26 -4.97 115.64 105.08 1drs s THR 13 Ca 0.00 1.83 0.08 0.00 -1.18 0.00 0.00 61.69 62.42 1drs s THR 13 Cb 0.08 -4.10 -0.03 0.00 1.34 0.00 0.00 72.50 69.79 1drs s THR 13 CO 0.78 0.31 -0.21 0.42 -0.54 0.00 0.00 174.62 175.38 1drs s THR 14 N -1.36 1.70 -0.36 3.99 -4.23 -1.26 -2.24 115.64 111.87 1drs s THR 14 Ca 0.46 -1.37 0.03 0.00 -1.18 0.00 0.00 61.69 59.63 1drs s THR 14 Cb -0.24 -1.51 0.10 0.00 1.34 0.00 0.00 72.50 72.19 1drs s THR 14 CO 0.30 0.08 0.09 -0.70 -0.54 0.00 0.00 174.62 173.85 1drs s GLU 15 N -1.53 1.59 -0.82 3.99 2.12 -0.07 -4.90 118.70 119.08 1drs s GLU 15 Ca 0.07 -1.90 -0.21 0.00 0.36 0.00 0.00 54.97 53.29 1drs s GLU 15 Cb -0.09 -3.28 0.09 0.00 0.26 0.00 0.00 34.13 31.11 1drs s GLU 15 CO 0.03 -0.97 1.10 0.99 -0.54 0.00 0.00 175.26 175.87 1drs s THR 16 N 0.90 4.44 0.16 -1.70 2.01 -1.26 -2.46 115.64 117.72 1drs s THR 16 Ca 0.11 -0.92 0.10 0.00 0.31 0.00 0.00 61.69 61.29 1drs s THR 16 Cb -0.20 -4.78 -0.04 0.00 0.01 0.00 0.00 72.50 67.49 1drs s THR 16 CO -0.07 -1.55 -0.21 0.00 -0.69 0.00 0.00 174.62 172.10 1drs h GLN 18 N 3.44 0.00 -6.77 0.00 3.07 -1.95 0.26 115.11 113.15 1drs h GLN 18 Ca -0.48 0.00 -0.53 0.00 0.09 0.00 0.00 58.65 57.73 1drs h GLN 18 Cb 1.19 0.00 0.06 0.00 0.08 0.00 0.00 27.48 28.81 1drs h GLN 18 CO 0.46 0.04 0.75 -1.21 0.09 0.00 0.00 178.83 178.96 1drs s GLU 19 N -3.28 4.26 0.00 0.06 0.41 -1.26 -4.82 118.70 114.07 1drs s GLU 19 Ca 0.01 2.31 0.15 0.00 -0.41 0.00 0.00 54.97 57.04 1drs s GLU 19 Cb 0.08 -3.10 0.92 0.00 -1.78 0.00 0.00 34.13 30.25 1drs s GLU 19 CO 0.76 -0.41 1.59 -0.25 -0.49 0.00 0.00 175.26 176.46 1drs n ASP 20 N 2.07 0.00 -3.75 -0.19 8.00 -1.26 -3.11 116.55 118.32 1drs n ASP 20 Ca 0.06 -1.52 -0.13 0.00 0.71 0.00 0.00 54.79 53.90 1drs n ASP 20 Cb 0.40 -0.00 -0.14 0.00 -0.02 0.00 0.00 41.12 41.36 1drs n ASP 20 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 1drs s SER 21 N -1.48 -0.12 0.03 -2.24 0.15 -1.26 -4.74 113.70 104.03 1drs s SER 21 Ca 0.23 0.32 0.06 0.00 0.70 0.00 0.00 55.95 57.26 1drs s SER 21 Cb 0.11 0.21 -0.02 0.00 -1.71 0.00 0.00 66.02 64.60 1drs s SER 21 CO 0.18 -0.15 -0.19 0.00 1.20 0.00 0.00 173.24 174.28 1drs s TYR 23 N -0.73 2.54 -0.33 0.00 -0.85 -0.41 -1.90 117.35 115.67 1drs s TYR 23 Ca 0.06 -0.48 -0.12 0.00 -0.52 0.00 0.00 57.07 56.01 1drs s TYR 23 Cb -0.08 -1.56 -0.02 0.00 0.38 0.00 0.00 41.96 40.68 1drs s TYR 23 CO 0.01 0.45 0.22 0.21 -1.52 0.00 0.00 175.55 174.93 1drs s LYS 24 N -3.73 3.47 -0.21 -3.49 2.47 -0.23 -2.73 119.74 115.29 1drs s LYS 24 Ca 0.35 -0.66 -0.01 0.00 -1.56 0.00 0.00 55.97 54.09 1drs s LYS 24 Cb 0.02 -3.76 0.01 0.00 -1.46 0.00 0.00 37.83 32.63 1drs s LYS 24 CO 0.19 -0.44 -0.11 1.21 0.16 0.00 0.00 175.35 176.36 1drs s ASN 25 N 1.70 3.79 0.00 1.43 2.47 -1.26 -2.56 114.94 120.52 1drs s ASN 25 Ca 0.06 -0.57 0.00 0.00 0.42 0.00 0.00 52.86 52.77 1drs s ASN 25 Cb -0.17 -1.62 0.00 0.00 -1.45 0.00 0.00 41.25 38.01 1drs s ASN 25 CO 0.10 -0.03 0.00 2.30 -3.72 0.00 0.00 177.10 175.75 1drs n ILE 26 N 4.70 0.00 0.00 -5.21 -0.00 -1.26 -2.69 119.36 114.90 1drs n ILE 26 Ca -0.19 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.56 1drs n ILE 26 Cb 0.50 -0.08 0.00 0.00 -0.00 0.00 0.00 39.64 40.06 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 0.00 -0.38 4.28 2.14 -1.26 -4.03 117.44 117.11 1drs n TRP 27 Ca 0.00 0.00 0.01 0.00 2.07 0.00 0.00 57.50 59.58 1drs n TRP 27 Cb 0.12 0.00 -0.00 0.00 -0.81 0.00 0.00 31.31 30.62 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 -0.65 0.24 -1.67 5.66 -1.26 -2.28 114.28 114.32 1drs n THR 28 Ca 0.00 0.34 -0.15 0.00 -3.05 0.00 0.00 64.05 61.19 1drs n THR 28 Cb 0.00 -0.56 -0.08 0.00 -1.55 0.00 0.00 70.33 68.13 1drs n THR 28 CO 0.00 0.00 0.00 -0.26 -3.05 0.00 0.00 175.07 171.76 1drs h PHE 29 N -0.02 -0.53 -1.94 1.09 0.04 -2.00 -3.30 116.94 110.28 1drs h PHE 29 Ca -0.01 -0.01 -0.50 0.00 2.80 0.00 0.00 57.97 60.25 1drs h PHE 29 Cb 0.26 0.18 -0.02 0.00 2.20 0.00 0.00 35.95 38.56 1drs h PHE 29 CO 0.02 -0.27 1.42 0.16 -0.60 0.00 0.00 178.31 179.03 1drs s ASP 30 N -4.76 5.11 -0.11 2.17 -4.77 -1.26 -4.93 116.67 108.12 1drs s ASP 30 Ca -0.16 0.58 -0.29 0.00 -3.30 0.00 0.00 52.55 49.39 1drs s ASP 30 Cb 0.03 -2.52 -0.06 0.00 -1.09 0.00 0.00 42.92 39.28 1drs s ASP 30 CO 0.60 -2.45 1.93 0.21 0.70 0.00 0.00 175.17 176.16 1drs s ASN 31 N 8.93 6.16 -0.08 2.11 3.84 -1.24 -4.88 114.94 129.78 1drs s ASN 31 Ca 0.75 2.14 -0.30 0.00 0.21 0.00 0.00 52.86 55.67 1drs s ASN 31 Cb -0.14 -2.53 0.11 0.00 -0.55 0.00 0.00 41.25 38.14 1drs s ASN 31 CO 0.23 -1.36 0.95 -0.51 -2.79 0.00 0.00 177.10 173.62 1drs s ILE 32 N 5.73 0.00 -0.40 -5.21 1.10 -0.97 -5.05 121.20 116.41 1drs s ILE 32 Ca 0.86 0.00 -0.17 0.00 -0.51 0.00 0.00 60.65 60.83 1drs s ILE 32 Cb -0.35 -1.00 0.01 0.00 0.15 0.00 0.00 42.46 41.27 1drs s ILE 32 CO 0.36 0.00 0.46 -0.63 -2.11 0.00 0.00 174.94 173.02 1drs s ILE 33 N -2.25 5.06 -0.26 2.00 1.01 -1.26 -4.22 121.20 121.28 1drs s ILE 33 Ca 0.02 -0.09 -0.02 0.00 0.00 0.00 0.00 60.65 60.56 1drs s ILE 33 Cb -0.01 -4.00 0.13 0.00 0.01 0.00 0.00 42.46 38.58 1drs s ILE 33 CO -0.04 -0.34 0.31 -0.60 0.00 0.00 0.00 174.94 174.26 1drs s ARG 34 N 2.24 0.30 0.30 2.79 3.52 -1.09 -4.75 118.95 122.27 1drs s ARG 34 Ca 0.14 0.13 0.05 0.00 -0.13 0.00 0.00 55.73 55.92 1drs s ARG 34 Cb -0.16 -0.72 -0.02 0.00 -1.56 0.00 0.00 34.95 32.49 1drs s ARG 34 CO 0.14 -0.84 0.31 2.89 -0.81 0.00 0.00 175.30 176.98 1drs n ARG 35 N 5.33 0.44 -3.29 5.12 -4.01 -1.24 -4.60 116.66 114.41 1drs n ARG 35 Ca -0.03 -2.88 0.00 0.00 -1.04 0.00 0.00 57.85 53.90 1drs n ARG 35 Cb 0.48 2.47 0.00 0.00 -3.04 0.00 0.00 32.46 32.37 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 -0.56 -1.38 3.62 2.89 0.00 -1.11 -4.00 105.19 104.66 1drs n GLY 36 Ca 0.05 -0.97 -0.43 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 4.51 0.75 7.00 0.00 0.00 -1.07 -4.97 105.19 111.41 1drs n GLY 38 Ca 0.15 0.43 0.00 0.00 0.00 0.00 0.00 46.02 46.60 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 -1.32 -4.78 0.00 3.72 -1.26 -5.07 117.46 108.76 1drs n PHE 40 Ca 0.00 0.56 -0.25 0.00 -0.05 0.00 0.00 57.45 57.71 1drs n PHE 40 Cb 0.00 -3.81 -0.15 0.00 -0.94 0.00 0.00 39.48 34.58 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 -3.21 1.47 0.71 4.37 -1.32 -1.26 -5.18 115.64 111.22 1drs s THR 41 Ca 0.02 -0.91 0.02 0.00 -1.21 0.00 0.00 61.69 59.61 1drs s THR 41 Cb -0.01 -1.25 0.13 0.00 -1.51 0.00 0.00 72.50 69.86 1drs s THR 41 CO 0.43 0.32 0.97 -2.16 -2.21 0.00 0.00 174.62 171.98 1drs s PRO 42 N -0.68 1.72 -1.10 7.08 0.04 -1.26 -5.02 135.00 135.77 1drs s PRO 42 Ca 0.07 -1.32 -0.13 0.00 0.04 0.00 0.00 61.00 59.66 1drs s PRO 42 Cb -0.08 -2.40 0.21 0.00 0.04 0.00 0.00 34.50 32.27 1drs s PRO 42 CO 0.00 -1.40 1.22 0.50 0.04 0.00 0.00 177.00 177.36 1drs s ARG 43 N -5.07 4.02 -0.33 4.56 3.00 -1.26 -4.76 118.95 119.11 1drs s ARG 43 Ca 0.66 -2.68 0.09 0.00 -1.00 0.00 0.00 55.73 52.81 1drs s ARG 43 Cb -0.05 -4.81 0.66 0.00 0.00 0.00 0.00 34.95 30.75 1drs s ARG 43 CO 0.44 -1.55 1.73 0.41 0.00 0.00 0.00 175.30 176.33 1drs n GLY 44 N 3.81 4.12 2.16 8.12 0.00 -1.26 -4.91 105.19 117.23 1drs n GLY 44 Ca 0.28 -1.07 -0.07 0.00 0.00 0.00 0.00 46.02 45.16 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 -0.59 -3.08 -4.78 1.61 8.00 -1.26 -5.07 116.55 111.38 1drs n ASP 45 Ca 0.42 0.05 -0.38 0.00 0.71 0.00 0.00 54.79 55.59 1drs n ASP 45 Cb 1.33 -2.07 -0.06 0.00 -0.02 0.00 0.00 41.12 40.31 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 -3.87 4.15 -1.29 -1.24 -2.45 -1.26 -5.01 119.30 108.33 1drs s MET 46 Ca 0.00 0.43 -0.17 0.00 -1.25 0.00 0.00 55.69 54.70 1drs s MET 46 Cb 0.00 -3.33 0.09 0.00 1.25 0.00 0.00 34.83 32.84 1drs s MET 46 CO 0.00 0.43 1.70 -0.35 1.05 0.00 0.00 175.02 177.85 1drs n PRO 47 N 2.72 3.22 -3.33 4.11 -0.04 -1.26 -4.96 135.00 135.46 1drs n PRO 47 Ca -0.11 -3.37 -0.30 0.00 -0.04 0.00 0.00 63.50 59.68 1drs n PRO 47 Cb 0.52 -3.38 -0.04 0.00 -0.04 0.00 0.00 33.50 30.55 1drs n PRO 47 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 1drs s GLY 48 N 3.82 2.07 1.10 0.55 0.00 -1.26 -5.10 107.32 108.50 1drs s GLY 48 Ca 0.51 -0.39 -0.16 0.00 0.00 0.00 0.00 44.72 44.68 1drs s GLY 48 CO 0.05 -0.26 0.43 -1.05 0.00 0.00 0.00 173.10 172.27 1drs n PRO 49 N -0.58 -1.61 -2.85 2.90 -0.02 -1.26 -4.96 135.00 126.62 1drs n PRO 49 Ca -0.00 -0.44 -0.42 0.00 -2.02 0.00 0.00 63.50 60.62 1drs n PRO 49 Cb 0.53 -1.90 -0.04 0.00 -0.02 0.00 0.00 33.50 32.07 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 -2.33 3.35 -0.12 6.00 -0.85 -1.06 -4.93 117.35 117.41 1drs s TYR 50 Ca 0.61 1.23 -0.02 0.00 -0.52 0.00 0.00 57.07 58.37 1drs s TYR 50 Cb -0.18 -3.08 -0.03 0.00 0.38 0.00 0.00 41.96 39.06 1drs s TYR 50 CO 0.66 -0.36 -0.05 0.00 -1.52 0.00 0.00 175.55 174.27 1drs n GLU 53 N -0.18 2.83 -4.24 0.00 0.00 -1.26 -1.32 120.64 116.46 1drs n GLU 53 Ca -0.09 -3.90 -0.14 0.00 0.00 0.00 0.00 57.16 53.02 1drs n GLU 53 Cb 0.59 -2.00 -0.10 0.00 0.00 0.00 0.00 31.44 29.94 1drs n GLU 53 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.13 176.01 1drs s SER 54 N -3.67 1.66 0.16 -1.84 0.01 -1.26 -5.01 113.70 103.75 1drs s SER 54 Ca 0.41 -1.03 -0.30 0.00 1.31 0.00 0.00 55.95 56.33 1drs s SER 54 Cb 0.38 0.01 -0.08 0.00 0.21 0.00 0.00 66.02 66.54 1drs s SER 54 CO 0.00 -0.38 1.31 -0.62 0.41 0.00 0.00 173.24 173.97 1drs s ASP 55 N -3.16 6.91 0.00 2.44 2.15 -1.26 -3.92 116.67 119.84 1drs s ASP 55 Ca 0.17 2.32 0.00 0.00 0.43 0.00 0.00 52.55 55.47 1drs s ASP 55 Cb 0.03 -2.60 0.00 0.00 -0.30 0.00 0.00 42.92 40.05 1drs s ASP 55 CO 0.00 -0.55 0.00 0.29 -0.17 0.00 0.00 175.17 174.75 1drs n LYS 56 N 3.15 0.00 -1.61 4.34 4.76 -1.18 -4.58 118.16 123.04 1drs n LYS 56 Ca 0.08 0.00 -0.00 0.00 -2.87 0.00 0.00 58.31 55.52 1drs n LYS 56 Cb 0.43 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.62 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 -1.45 -5.86 0.00 0.00 4.13 -1.26 -5.05 115.26 105.76 1drs n ASN 58 Ca -0.00 -0.22 0.00 0.00 1.68 0.00 0.00 54.58 56.04 1drs n ASN 58 Cb 0.50 -4.02 0.00 0.00 -1.54 0.00 0.00 39.78 34.72 1drs n ASN 58 CO 0.00 0.00 0.00 -0.11 0.28 0.00 0.00 177.26 177.43