#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 4.83 -0.04 0.55 1.09 -1.26 -2.25 121.20 124.12 1drs s ILE 2 Ca 0.00 1.07 -0.09 0.00 -1.10 0.00 0.00 60.65 60.53 1drs s ILE 2 Cb 0.00 -4.11 0.01 0.00 -1.06 0.00 0.00 42.46 37.30 1drs s ILE 2 CO 0.00 -0.23 0.20 0.00 -0.10 0.00 0.00 174.94 174.81 1drs s TYR 4 N -0.72 3.50 -0.30 0.00 2.02 -1.26 -2.24 117.35 118.35 1drs s TYR 4 Ca -0.08 0.74 0.07 0.00 -0.37 0.00 0.00 57.07 57.43 1drs s TYR 4 Cb -0.05 -2.14 0.46 0.00 -0.40 0.00 0.00 41.96 39.83 1drs s TYR 4 CO 0.01 0.42 1.27 0.27 -1.57 0.00 0.00 175.55 175.95 1drs n ASN 5 N 0.34 4.46 -2.83 2.29 6.94 -1.04 -4.02 115.26 121.41 1drs n ASN 5 Ca -0.04 -3.78 0.00 0.00 -0.02 0.00 0.00 54.58 50.74 1drs n ASN 5 Cb 0.52 -0.43 0.00 0.00 -2.36 0.00 0.00 39.78 37.51 1drs n ASN 5 CO 0.00 0.00 0.00 1.41 -1.03 0.00 0.00 177.26 177.64 1drs n HIS 6 N -0.81 0.00 -4.77 -2.53 8.25 -1.18 -4.69 115.22 109.48 1drs n HIS 6 Ca 0.41 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.87 1drs n HIS 6 Cb 0.91 0.00 0.00 0.00 1.12 0.00 0.00 29.99 32.02 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 4.77 -1.23 -4.65 117.00 118.31 1drs n LEU 7 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1drs n LEU 7 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1drs n LEU 7 CO 0.00 -1.42 0.00 0.61 -1.33 0.00 0.00 177.39 175.25 1drs n GLY 8 N 0.00 2.11 0.12 -0.72 0.00 -1.26 -3.50 105.19 101.94 1drs n GLY 8 Ca 0.00 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.69 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 -3.86 2.61 -1.04 -1.26 -5.09 114.28 105.64 1drs n THR 9 Ca 0.00 0.00 -0.35 0.00 -2.04 0.00 0.00 64.05 61.66 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 -1.11 2.22 0.00 -2.82 -0.14 -1.23 -5.06 119.74 111.61 1drs s LYS 10 Ca 0.00 -1.50 0.31 0.00 -1.36 0.00 0.00 55.97 53.43 1drs s LYS 10 Cb 0.00 -3.34 1.85 0.00 -1.68 0.00 0.00 37.83 34.66 1drs s LYS 10 CO 0.00 -0.80 2.19 -2.30 -0.76 0.00 0.00 175.35 173.68 1drs n PRO 11 N 4.60 0.93 0.15 -1.68 -0.02 -1.26 -3.48 135.00 134.23 1drs n PRO 11 Ca -0.08 0.00 0.05 0.00 -2.02 0.00 0.00 63.50 61.45 1drs n PRO 11 Cb 0.43 -1.50 0.05 0.00 -0.02 0.00 0.00 33.50 32.46 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 0.00 0.00 -6.47 0.52 0.11 -1.96 -3.38 132.00 120.82 1drs h PRO 12 Ca 0.00 0.00 -0.53 0.00 0.11 0.00 0.00 66.00 65.58 1drs h PRO 12 Cb 0.03 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 31.11 1drs h PRO 12 CO 0.00 0.30 0.22 0.95 -0.21 0.00 0.00 178.00 179.27 1drs s THR 13 N -3.05 4.49 -0.05 -1.15 -4.23 -1.26 -5.01 115.64 105.38 1drs s THR 13 Ca 0.04 1.78 0.05 0.00 -1.18 0.00 0.00 61.69 62.38 1drs s THR 13 Cb 0.07 -4.18 -0.02 0.00 1.34 0.00 0.00 72.50 69.71 1drs s THR 13 CO 0.74 0.43 -0.20 0.42 -0.54 0.00 0.00 174.62 175.47 1drs s THR 14 N -0.55 2.58 -0.73 3.99 -4.23 -1.26 -2.49 115.64 112.95 1drs s THR 14 Ca 0.39 -0.89 -0.14 0.00 -1.18 0.00 0.00 61.69 59.86 1drs s THR 14 Cb -0.22 -1.98 0.19 0.00 1.34 0.00 0.00 72.50 71.83 1drs s THR 14 CO 0.26 0.58 0.67 -0.70 -0.54 0.00 0.00 174.62 174.89 1drs s GLU 15 N -0.48 3.38 0.15 3.99 2.56 -0.95 -4.89 118.70 122.47 1drs s GLU 15 Ca 0.06 -2.22 -0.31 0.00 0.00 0.00 0.00 54.97 52.50 1drs s GLU 15 Cb -0.12 -4.37 -0.10 0.00 2.00 0.00 0.00 34.13 31.54 1drs s GLU 15 CO 0.01 -1.30 1.72 -0.08 -0.56 0.00 0.00 175.26 175.05 1drs s THR 16 N 0.63 2.49 -0.01 -1.70 -1.32 -1.26 -2.49 115.64 111.98 1drs s THR 16 Ca 0.13 0.19 -0.04 0.00 -1.21 0.00 0.00 61.69 60.76 1drs s THR 16 Cb -0.17 -3.12 -0.00 0.00 -1.51 0.00 0.00 72.50 67.70 1drs s THR 16 CO -0.05 0.01 0.08 0.00 -2.21 0.00 0.00 174.62 172.45 1drs n GLN 18 N 2.00 2.42 -2.60 0.00 1.13 -1.26 0.19 117.38 119.24 1drs n GLN 18 Ca -0.20 -2.10 -0.43 0.00 -1.94 0.00 0.00 57.00 52.33 1drs n GLN 18 Cb 0.57 -1.49 -0.02 0.00 0.11 0.00 0.00 30.24 29.41 1drs n GLN 18 CO 0.00 0.00 0.00 -1.21 -1.44 0.00 0.00 177.06 174.41 1drs s GLU 19 N -1.76 4.01 0.00 -1.09 0.41 -1.26 -4.76 118.70 114.24 1drs s GLU 19 Ca 0.33 1.04 0.01 0.00 -0.41 0.00 0.00 54.97 55.94 1drs s GLU 19 Cb 0.21 -3.78 0.06 0.00 -1.78 0.00 0.00 34.13 28.85 1drs s GLU 19 CO 0.31 -0.99 0.47 -0.25 -0.49 0.00 0.00 175.26 174.31 1drs n ASP 20 N 7.09 0.00 -3.75 -0.19 8.00 -1.26 -3.07 116.55 123.37 1drs n ASP 20 Ca 0.12 -0.04 -0.13 0.00 0.71 0.00 0.00 54.79 55.44 1drs n ASP 20 Cb 0.47 0.00 -0.09 0.00 -0.02 0.00 0.00 41.12 41.48 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 -1.99 -0.25 0.04 -2.24 1.04 -1.26 -4.81 113.70 104.23 1drs s SER 21 Ca 0.01 0.23 -0.00 0.00 0.48 0.00 0.00 55.95 56.68 1drs s SER 21 Cb 0.01 0.40 -0.03 0.00 0.10 0.00 0.00 66.02 66.50 1drs s SER 21 CO 0.01 -0.40 -0.04 0.00 0.98 0.00 0.00 173.24 173.80 1drs s TYR 23 N -2.68 0.74 -0.20 0.00 1.13 -0.53 -1.63 117.35 114.18 1drs s TYR 23 Ca -0.03 -0.41 -0.08 0.00 -1.41 0.00 0.00 57.07 55.14 1drs s TYR 23 Cb -0.01 -0.44 -0.04 0.00 -1.10 0.00 0.00 41.96 40.37 1drs s TYR 23 CO -0.05 -0.05 0.07 0.15 -2.51 0.00 0.00 175.55 173.17 1drs s LYS 24 N -1.29 3.90 -0.11 -3.49 3.01 -0.18 -2.63 119.74 118.94 1drs s LYS 24 Ca -0.06 -0.37 0.02 0.00 -1.01 0.00 0.00 55.97 54.55 1drs s LYS 24 Cb -0.08 -3.27 -0.00 0.00 -1.01 0.00 0.00 37.83 33.46 1drs s LYS 24 CO 0.01 0.14 -0.20 1.21 0.51 0.00 0.00 175.35 177.01 1drs s ASN 25 N 0.75 3.43 -0.01 2.83 2.47 -1.26 -1.98 114.94 121.17 1drs s ASN 25 Ca 0.04 -0.48 0.01 0.00 0.42 0.00 0.00 52.86 52.85 1drs s ASN 25 Cb -0.13 -1.49 0.01 0.00 -1.45 0.00 0.00 41.25 38.19 1drs s ASN 25 CO 0.02 0.16 0.75 2.30 -3.72 0.00 0.00 177.10 176.61 1drs n ILE 26 N 3.55 0.14 0.00 -5.21 -6.64 -1.26 -2.28 119.36 107.67 1drs n ILE 26 Ca -0.19 -0.16 0.00 0.00 -1.77 0.00 0.00 62.75 60.63 1drs n ILE 26 Cb 0.53 0.72 0.00 0.00 -1.44 0.00 0.00 39.64 39.45 1drs n ILE 26 CO 0.00 0.00 0.00 -2.67 -1.77 0.00 0.00 176.55 172.11 1drs n TRP 27 N -0.09 0.00 -0.46 4.28 2.14 -1.21 -4.63 117.44 117.47 1drs n TRP 27 Ca 0.01 0.00 0.06 0.00 2.07 0.00 0.00 57.50 59.63 1drs n TRP 27 Cb 0.57 0.00 -0.03 0.00 -0.81 0.00 0.00 31.31 31.04 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 -0.20 -0.05 -1.67 5.66 -1.26 -1.04 114.28 115.71 1drs n THR 28 Ca 0.00 0.26 -0.13 0.00 -3.05 0.00 0.00 64.05 61.13 1drs n THR 28 Cb 0.00 -0.41 -0.07 0.00 -1.55 0.00 0.00 70.33 68.30 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 -0.45 0.41 0.00 1.09 0.04 -2.03 -3.01 116.94 113.00 1drs h PHE 29 Ca -0.05 -0.12 0.00 0.00 2.80 0.00 0.00 57.97 60.60 1drs h PHE 29 Cb 0.44 -0.09 0.00 0.00 2.20 0.00 0.00 35.95 38.50 1drs h PHE 29 CO 0.01 0.72 0.00 -0.40 -0.60 0.00 0.00 178.31 178.04 1drs n ASP 30 N -4.58 0.00 -2.56 2.17 5.75 -1.26 -4.95 116.55 111.12 1drs n ASP 30 Ca -0.06 0.07 -0.03 0.00 -0.01 0.00 0.00 54.79 54.77 1drs n ASP 30 Cb 0.35 -0.25 0.00 0.00 -1.03 0.00 0.00 41.12 40.19 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 -1.25 -6.26 -3.71 -1.12 3.02 -1.14 -5.04 115.26 99.76 1drs n ASN 31 Ca 0.05 0.16 -0.07 0.00 -0.03 0.00 0.00 54.58 54.69 1drs n ASN 31 Cb 0.08 -4.16 -0.02 0.00 -0.61 0.00 0.00 39.78 35.07 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 -2.60 0.00 -0.55 2.41 1.10 -0.21 -5.02 121.20 116.33 1drs s ILE 32 Ca 0.09 -0.61 -0.15 0.00 -0.51 0.00 0.00 60.65 59.47 1drs s ILE 32 Cb -0.02 -1.69 0.14 0.00 0.15 0.00 0.00 42.46 41.03 1drs s ILE 32 CO 0.55 0.00 0.50 -0.63 -2.11 0.00 0.00 174.94 173.25 1drs s ILE 33 N -3.66 5.12 -0.17 2.00 1.09 -1.26 -3.29 121.20 121.03 1drs s ILE 33 Ca 0.09 -1.61 -0.14 0.00 -1.10 0.00 0.00 60.65 57.88 1drs s ILE 33 Cb -0.03 -4.28 0.05 0.00 -1.06 0.00 0.00 42.46 37.14 1drs s ILE 33 CO 0.00 -0.87 0.45 0.00 -0.10 0.00 0.00 174.94 174.42 1drs s ARG 34 N 1.45 0.49 0.01 2.79 1.70 -0.96 -4.65 118.95 119.78 1drs s ARG 34 Ca 0.05 0.69 -0.05 0.00 -0.47 0.00 0.00 55.73 55.95 1drs s ARG 34 Cb -0.28 0.17 0.02 0.00 -0.57 0.00 0.00 34.95 34.29 1drs s ARG 34 CO 0.02 -0.09 0.21 2.89 -1.08 0.00 0.00 175.30 177.24 1drs n ARG 35 N 3.30 0.06 0.00 3.89 -4.01 -1.26 -4.44 116.66 114.20 1drs n ARG 35 Ca -0.16 -0.18 0.00 0.00 -1.04 0.00 0.00 57.85 56.47 1drs n ARG 35 Cb 0.56 0.27 0.00 0.00 -3.04 0.00 0.00 32.46 30.25 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 -0.15 1.61 3.22 2.89 0.00 -1.08 -3.96 105.19 107.73 1drs n GLY 36 Ca 0.00 -0.59 -0.35 0.00 0.00 0.00 0.00 46.02 45.09 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 4.70 -2.05 7.00 0.00 0.00 -1.07 -4.89 105.19 108.88 1drs n GLY 38 Ca -0.16 0.66 0.00 0.00 0.00 0.00 0.00 46.02 46.52 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 -1.12 -3.46 0.00 3.72 -1.26 -5.06 117.46 110.28 1drs n PHE 40 Ca 0.00 0.40 -0.38 0.00 -0.05 0.00 0.00 57.45 57.43 1drs n PHE 40 Cb 0.00 -2.70 -0.06 0.00 -0.94 0.00 0.00 39.48 35.78 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 -3.13 4.97 0.54 4.37 -4.23 -1.26 -5.08 115.64 111.82 1drs s THR 41 Ca 0.20 0.88 -0.20 0.00 -1.18 0.00 0.00 61.69 61.39 1drs s THR 41 Cb -0.09 -3.74 -0.07 0.00 1.34 0.00 0.00 72.50 69.94 1drs s THR 41 CO 0.29 0.54 0.90 -2.65 -0.54 0.00 0.00 174.62 173.16 1drs n PRO 42 N 1.69 0.97 -1.01 3.99 -0.02 -1.26 -4.92 135.00 134.44 1drs n PRO 42 Ca -0.13 0.37 -0.21 0.00 -2.02 0.00 0.00 63.50 61.51 1drs n PRO 42 Cb 0.52 -2.05 0.12 0.00 -0.02 0.00 0.00 33.50 32.07 1drs n PRO 42 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1drs n ARG 43 N -0.49 2.07 0.03 -0.52 5.12 -1.26 -2.91 116.66 118.70 1drs n ARG 43 Ca 0.12 -2.42 0.13 0.00 -1.93 0.00 0.00 57.85 53.76 1drs n ARG 43 Cb 0.45 -1.95 0.46 0.00 -1.16 0.00 0.00 32.46 30.26 1drs n ARG 43 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1drs n GLY 44 N -0.68 -1.49 3.35 -0.13 0.00 -1.26 -4.98 105.19 100.00 1drs n GLY 44 Ca 0.48 -0.15 -0.16 0.00 0.00 0.00 0.00 46.02 46.18 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 -1.72 -4.57 -4.70 1.61 8.00 -1.14 -5.00 116.55 109.03 1drs n ASP 45 Ca 0.06 -0.69 -0.42 0.00 0.71 0.00 0.00 54.79 54.45 1drs n ASP 45 Cb 0.37 -5.09 -0.03 0.00 -0.02 0.00 0.00 41.12 36.35 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 -4.88 4.38 -0.02 -1.24 -1.94 -1.26 -4.43 119.30 109.91 1drs s MET 46 Ca 0.26 1.73 -0.00 0.00 -1.71 0.00 0.00 55.69 55.97 1drs s MET 46 Cb -0.04 -3.48 0.00 0.00 2.01 0.00 0.00 34.83 33.33 1drs s MET 46 CO 0.74 -0.38 0.02 -2.30 -0.01 0.00 0.00 175.02 173.09 1drs n PRO 47 N 4.69 -0.04 -3.83 2.03 -0.02 -1.26 -4.91 135.00 131.66 1drs n PRO 47 Ca 0.10 0.02 -0.10 0.00 -2.02 0.00 0.00 63.50 61.51 1drs n PRO 47 Cb 0.46 -0.06 -0.06 0.00 -0.02 0.00 0.00 33.50 33.83 1drs n PRO 47 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 1drs s GLY 48 N -1.99 0.15 1.09 -1.23 0.00 -1.26 -5.17 107.32 98.91 1drs s GLY 48 Ca 0.00 -0.53 -0.13 0.00 0.00 0.00 0.00 44.72 44.06 1drs s GLY 48 CO 0.02 -0.59 1.06 2.56 0.00 0.00 0.00 173.10 176.15 1drs s PRO 49 N -3.90 -0.33 -0.48 2.90 0.04 -1.26 -4.96 135.00 127.00 1drs s PRO 49 Ca 0.11 0.69 -0.27 0.00 0.04 0.00 0.00 61.00 61.56 1drs s PRO 49 Cb 0.02 -1.63 0.03 0.00 0.04 0.00 0.00 34.50 32.96 1drs s PRO 49 CO -0.04 -3.29 1.06 -0.47 0.04 0.00 0.00 177.00 174.30 1drs s TYR 50 N -2.69 2.84 -0.21 0.56 5.04 -0.84 -4.92 117.35 117.12 1drs s TYR 50 Ca 0.67 0.54 -0.01 0.00 -2.44 0.00 0.00 57.07 55.84 1drs s TYR 50 Cb -0.22 -4.26 0.02 0.00 0.35 0.00 0.00 41.96 37.84 1drs s TYR 50 CO 0.61 -1.24 -0.12 0.00 -1.34 0.00 0.00 175.55 173.46 1drs n GLU 53 N -1.59 0.91 -3.92 0.00 0.28 -1.26 -2.20 120.64 112.86 1drs n GLU 53 Ca -0.03 -2.61 -0.09 0.00 -0.16 0.00 0.00 57.16 54.27 1drs n GLU 53 Cb 0.64 -1.36 -0.06 0.00 1.43 0.00 0.00 31.44 32.10 1drs n GLU 53 CO 0.00 0.00 0.00 -1.12 -0.16 0.00 0.00 177.13 175.85 1drs s SER 54 N -1.71 -0.09 -0.01 -1.84 0.01 -1.26 -5.06 113.70 103.73 1drs s SER 54 Ca 0.32 -0.79 -0.30 0.00 1.31 0.00 0.00 55.95 56.49 1drs s SER 54 Cb 0.28 0.53 -0.07 0.00 0.21 0.00 0.00 66.02 66.97 1drs s SER 54 CO -0.10 -1.03 1.78 -0.62 0.41 0.00 0.00 173.24 173.68 1drs s ASP 55 N -2.96 6.58 0.00 2.44 2.15 -1.26 -3.55 116.67 120.06 1drs s ASP 55 Ca 0.17 2.42 0.00 0.00 0.43 0.00 0.00 52.55 55.57 1drs s ASP 55 Cb 0.01 -2.53 0.00 0.00 -0.30 0.00 0.00 42.92 40.09 1drs s ASP 55 CO 0.03 -0.98 0.00 0.29 -0.17 0.00 0.00 175.17 174.34 1drs n LYS 56 N 7.26 0.00 -3.22 4.34 4.01 -1.13 -4.69 118.16 124.74 1drs n LYS 56 Ca 0.18 0.00 -0.09 0.00 -0.51 0.00 0.00 58.31 57.89 1drs n LYS 56 Cb 0.42 0.00 0.03 0.00 -0.51 0.00 0.00 35.03 34.97 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 -2.43 -6.89 0.00 0.00 5.15 -1.26 -4.96 115.26 104.87 1drs n ASN 58 Ca -0.05 0.53 0.00 0.00 -0.60 0.00 0.00 54.58 54.46 1drs n ASN 58 Cb 0.56 -4.60 0.00 0.00 -0.53 0.00 0.00 39.78 35.21 1drs n ASN 58 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84