#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pmz s GLY 7 N 0.00 1.79 0.03 0.00 0.00 -1.26 -2.06 107.32 105.82 2pmz s GLY 7 Ca 0.00 -1.10 0.01 0.00 0.00 0.00 0.00 44.72 43.63 2pmz s GLY 7 CO 0.00 -1.02 0.06 0.54 0.00 0.00 0.00 173.10 172.68 2pmz s LYS 8 N -1.80 2.93 0.56 2.90 1.02 -0.91 -1.63 119.74 122.80 2pmz s LYS 8 Ca 0.20 -0.60 -0.03 0.00 0.02 0.00 0.00 55.97 55.56 2pmz s LYS 8 Cb -0.11 -2.76 0.02 0.00 -0.52 0.00 0.00 37.83 34.45 2pmz s LYS 8 CO 0.11 0.61 0.82 0.00 -0.92 0.00 0.00 175.35 175.97 2pmz s TRP 10 N -2.85 3.55 0.00 0.00 -0.00 -1.26 -3.58 118.94 114.81 2pmz s TRP 10 Ca 0.54 1.03 0.00 0.00 -0.00 0.00 0.00 56.10 57.67 2pmz s TRP 10 Cb -0.10 -2.36 0.00 0.00 -0.00 0.00 0.00 33.47 31.01 2pmz s TRP 10 CO 0.41 0.37 0.00 1.63 -0.00 0.00 0.00 176.95 179.36 2pmz n LYS 11 N 0.51 0.00 -3.19 5.86 4.76 -1.26 -4.85 118.16 119.99 2pmz n LYS 11 Ca -0.03 0.00 0.01 0.00 -2.87 0.00 0.00 58.31 55.42 2pmz n LYS 11 Cb 0.52 -1.14 -0.02 0.00 -1.84 0.00 0.00 35.03 32.56 2pmz n LYS 11 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 2pmz s THR 12 N -1.58 -0.91 -0.02 -0.18 -4.23 -1.23 -5.03 115.64 102.45 2pmz s THR 12 Ca 0.00 -0.06 -0.03 0.00 -1.18 0.00 0.00 61.69 60.42 2pmz s THR 12 Cb 0.00 -0.99 -0.14 0.00 1.34 0.00 0.00 72.50 72.70 2pmz s THR 12 CO 0.00 -0.06 2.20 0.49 -0.54 0.00 0.00 174.62 176.71 2pmz n PHE 13 N 5.41 0.04 -2.99 3.99 3.01 -1.24 -1.99 117.46 123.68 2pmz n PHE 13 Ca 0.03 -0.85 -0.42 0.00 1.01 0.00 0.00 57.45 57.23 2pmz n PHE 13 Cb 0.52 -1.07 -0.05 0.00 -0.01 0.00 0.00 39.48 38.87 2pmz n PHE 13 CO 0.00 0.00 0.00 0.99 1.01 0.00 0.00 176.76 178.76 2pmz s THR 14 N 1.95 4.84 0.19 4.37 2.01 -1.26 -4.78 115.64 122.96 2pmz s THR 14 Ca 0.36 1.09 -0.31 0.00 0.31 0.00 0.00 61.69 63.14 2pmz s THR 14 Cb 0.17 -4.10 -0.10 0.00 0.01 0.00 0.00 72.50 68.48 2pmz s THR 14 CO -0.00 -0.22 1.48 -1.81 -0.69 0.00 0.00 174.62 173.38 2pmz s ASP 15 N 1.62 6.66 0.00 3.53 1.11 -1.26 -3.77 116.67 124.57 2pmz s ASP 15 Ca 0.30 2.58 0.00 0.00 0.18 0.00 0.00 52.55 55.61 2pmz s ASP 15 Cb -0.14 -2.61 0.00 0.00 1.07 0.00 0.00 42.92 41.24 2pmz s ASP 15 CO 0.12 -0.73 0.00 -0.62 1.18 0.00 0.00 175.17 175.12 2pmz n GLU 16 N 3.23 2.11 -4.04 8.23 1.02 -0.64 -4.87 120.64 125.67 2pmz n GLU 16 Ca 0.10 0.00 -0.12 0.00 -0.02 0.00 0.00 57.16 57.12 2pmz n GLU 16 Cb 0.40 0.00 -0.11 0.00 -0.02 0.00 0.00 31.44 31.71 2pmz n GLU 16 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 2pmz s GLN 17 N -1.51 0.48 0.00 3.49 -1.52 -1.26 -2.43 119.66 116.90 2pmz s GLN 17 Ca 0.00 -0.74 0.00 0.00 -1.95 0.00 0.00 55.36 52.67 2pmz s GLN 17 Cb 0.00 -0.17 0.00 0.00 -0.22 0.00 0.00 33.01 32.62 2pmz s GLN 17 CO 0.00 0.02 0.10 1.28 -0.25 0.00 0.00 175.29 176.44 2pmz n LEU 18 N 1.43 0.00 -0.73 2.90 4.77 -1.26 -2.45 117.00 121.66 2pmz n LEU 18 Ca -0.23 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.75 2pmz n LEU 18 Cb 0.55 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.64 2pmz n LEU 18 CO 0.21 0.00 0.35 0.29 -1.33 0.00 0.00 177.39 176.91 2pmz n LYS 19 N -0.49 0.95 -0.38 3.23 5.02 -1.26 -4.54 118.16 120.69 2pmz n LYS 19 Ca 0.00 0.00 -0.05 0.00 -2.02 0.00 0.00 58.31 56.24 2pmz n LYS 19 Cb 0.00 -1.27 -0.06 0.00 -0.02 0.00 0.00 35.03 33.68 2pmz n LYS 19 CO 0.00 0.00 0.00 1.33 -0.52 0.00 0.00 177.40 178.21 2pmz n VAL 20 N 0.25 1.16 -4.63 -0.18 0.24 -1.03 -4.80 118.33 109.35 2pmz n VAL 20 Ca 0.00 -0.59 -0.33 0.00 -2.04 0.00 0.00 64.34 61.38 2pmz n VAL 20 Cb 0.35 -1.70 -0.13 0.00 -1.47 0.00 0.00 33.84 30.89 2pmz n VAL 20 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 2pmz s LEU 21 N 0.00 3.00 -0.19 1.34 1.43 -1.26 -4.27 118.68 118.73 2pmz s LEU 21 Ca 0.25 -0.18 -0.19 0.00 -1.03 0.00 0.00 54.13 52.99 2pmz s LEU 21 Cb 0.12 -1.68 -0.21 0.00 0.03 0.00 0.00 46.19 44.45 2pmz s LEU 21 CO -0.00 0.23 0.27 1.55 0.23 0.00 0.00 176.35 178.63 2pmz h PRO 22 N 6.24 0.06 -6.61 1.29 0.13 -2.02 -3.51 132.00 127.58 2pmz h PRO 22 Ca -0.35 -0.10 -0.48 0.00 -0.87 0.00 0.00 66.00 64.21 2pmz h PRO 22 Cb 1.19 0.04 0.23 0.00 0.13 0.00 0.00 31.00 32.59 2pmz h PRO 22 CO 0.57 1.05 -1.17 0.41 -0.23 0.00 0.00 178.00 178.63 2pmz n GLY 23 N 1.55 -2.52 0.96 1.56 0.00 -1.26 -4.87 105.19 100.61 2pmz n GLY 23 Ca -0.31 -0.72 0.09 0.00 0.00 0.00 0.00 46.02 45.07 2pmz n GLY 23 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 2pmz n VAL 24 N -4.12 0.68 0.00 1.61 3.14 -1.26 -4.84 118.33 113.55 2pmz n VAL 24 Ca 0.01 -0.69 0.00 0.00 -2.96 0.00 0.00 64.34 60.70 2pmz n VAL 24 Cb 0.62 0.37 0.00 0.00 -1.06 0.00 0.00 33.84 33.76 2pmz n VAL 24 CO 0.00 0.00 0.00 0.54 -6.46 0.00 0.00 176.83 170.91 2pmz n ARG 25 N 1.03 1.67 -1.42 1.45 1.74 -1.26 -4.77 116.66 115.09 2pmz n ARG 25 Ca 0.18 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.26 2pmz n ARG 25 Cb 0.44 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.88 2pmz n ARG 25 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2pmz s PRO 27 N -1.38 3.79 0.00 0.00 0.04 -1.26 -4.18 135.00 132.01 2pmz s PRO 27 Ca 0.00 2.00 0.00 0.00 0.04 0.00 0.00 61.00 63.04 2pmz s PRO 27 Cb 0.00 -4.12 0.00 0.00 0.04 0.00 0.00 34.50 30.42 2pmz s PRO 27 CO 0.00 -1.32 0.00 0.66 0.04 0.00 0.00 177.00 176.38 2pmz n TYR 28 N 8.72 0.00 -1.38 0.56 0.53 -1.26 -4.84 117.16 119.49 2pmz n TYR 28 Ca 0.21 0.00 -0.55 0.00 -1.02 0.00 0.00 57.90 56.54 2pmz n TYR 28 Cb 0.44 0.00 -0.09 0.00 -1.03 0.00 0.00 39.34 38.66 2pmz n TYR 28 CO 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 176.86 175.84 2pmz n GLY 30 N 6.80 -1.23 3.67 0.00 0.00 -1.26 -3.30 105.19 109.87 2pmz n GLY 30 Ca 0.46 -0.07 -0.49 0.00 0.00 0.00 0.00 46.02 45.91 2pmz n GLY 30 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 2pmz n TYR 31 N -1.49 2.22 -1.44 1.61 9.36 -1.26 -4.82 117.16 121.34 2pmz n TYR 31 Ca 0.05 0.19 -0.17 0.00 3.32 0.00 0.00 57.90 61.29 2pmz n TYR 31 Cb 0.25 -2.58 0.16 0.00 -0.63 0.00 0.00 39.34 36.53 2pmz n TYR 31 CO 0.00 0.00 0.00 1.63 0.22 0.00 0.00 176.86 178.71 2pmz n LYS 32 N 5.25 2.27 0.01 2.98 5.02 -1.26 -4.46 118.16 127.97 2pmz n LYS 32 Ca 0.21 -3.27 0.11 0.00 -2.02 0.00 0.00 58.31 53.34 2pmz n LYS 32 Cb 0.26 -2.04 -0.00 0.00 -0.02 0.00 0.00 35.03 33.23 2pmz n LYS 32 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 2pmz n ILE 33 N -1.06 0.04 -0.45 -0.18 2.08 -1.26 -5.01 119.36 113.52 2pmz n ILE 33 Ca 0.47 -0.09 -0.16 0.00 0.56 0.00 0.00 62.75 63.52 2pmz n ILE 33 Cb 1.15 0.56 -0.01 0.00 -0.75 0.00 0.00 39.64 40.59 2pmz n ILE 33 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 2pmz n ILE 34 N -1.67 0.61 -3.68 1.39 3.06 -1.26 -4.89 119.36 112.92 2pmz n ILE 34 Ca 0.03 -0.15 -0.12 0.00 -2.50 0.00 0.00 62.75 60.01 2pmz n ILE 34 Cb 0.37 0.00 -0.06 0.00 0.54 0.00 0.00 39.64 40.49 2pmz n ILE 34 CO 0.00 0.00 0.00 0.72 -2.50 0.00 0.00 176.55 174.77 2pmz s PHE 35 N -0.31 -0.23 1.14 9.51 -0.12 -1.11 -4.95 117.98 121.91 2pmz s PHE 35 Ca 0.21 0.16 -0.18 0.00 -0.05 0.00 0.00 56.93 57.08 2pmz s PHE 35 Cb -0.31 0.20 0.16 0.00 -0.63 0.00 0.00 43.02 42.44 2pmz s PHE 35 CO 0.18 -0.57 0.21 -1.33 -0.05 0.00 0.00 175.22 173.66 2pmz n MET 36 N 0.48 -2.10 -3.97 1.99 2.81 -1.26 -2.15 117.12 112.92 2pmz n MET 36 Ca -0.18 -0.60 -0.09 0.00 -1.81 0.00 0.00 57.70 55.01 2pmz n MET 36 Cb 0.60 -1.71 -0.05 0.00 -0.71 0.00 0.00 33.22 31.35 2pmz n MET 36 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 2pmz s VAL 37 N -2.21 0.01 -0.12 2.03 0.11 -0.87 -4.73 120.40 114.62 2pmz s VAL 37 Ca 0.54 -1.35 -0.41 0.00 -2.93 0.00 0.00 61.98 57.83 2pmz s VAL 37 Cb -0.12 -2.12 -0.19 0.00 -1.53 0.00 0.00 36.38 32.41 2pmz s VAL 37 CO 0.59 -0.03 1.26 -1.14 -3.33 0.00 0.00 175.10 172.45 2pmz n ARG 38 N -0.37 0.21 -2.25 1.54 0.63 -1.26 -4.86 116.66 110.31 2pmz n ARG 38 Ca -0.03 0.07 -0.43 0.00 -0.92 0.00 0.00 57.85 56.55 2pmz n ARG 38 Cb 0.62 -1.60 -0.02 0.00 0.45 0.00 0.00 32.46 31.90 2pmz n ARG 38 CO 0.00 0.00 0.00 0.21 -2.51 0.00 0.00 177.63 175.33 2pmz s LYS 39 N 0.92 3.89 -0.76 -0.14 2.20 -1.26 -4.85 119.74 119.75 2pmz s LYS 39 Ca 0.94 1.53 -0.27 0.00 -0.36 0.00 0.00 55.97 57.80 2pmz s LYS 39 Cb -1.27 -3.95 -0.26 0.00 -1.51 0.00 0.00 37.83 30.83 2pmz s LYS 39 CO 0.62 -1.16 1.93 -0.35 -0.36 0.00 0.00 175.35 176.02 2pmz n PRO 40 N 7.43 0.31 -4.24 4.03 -0.04 -1.26 -4.79 135.00 136.44 2pmz n PRO 40 Ca 0.17 -1.59 -0.13 0.00 -0.04 0.00 0.00 63.50 61.90 2pmz n PRO 40 Cb 0.46 -3.44 -0.10 0.00 -0.04 0.00 0.00 33.50 30.37 2pmz n PRO 40 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 2pmz s THR 41 N 13.01 0.73 -0.53 0.52 2.01 -1.26 -5.10 115.64 125.02 2pmz s THR 41 Ca 0.75 -1.98 -0.27 0.00 0.31 0.00 0.00 61.69 60.50 2pmz s THR 41 Cb 0.03 -2.06 -0.01 0.00 0.01 0.00 0.00 72.50 70.46 2pmz s THR 41 CO 0.23 -0.53 1.71 -0.51 -0.69 0.00 0.00 174.62 174.82 2pmz s ILE 42 N -3.62 3.52 -0.43 1.82 1.10 -1.26 -4.96 121.20 117.37 2pmz s ILE 42 Ca 0.22 0.41 -0.12 0.00 -0.51 0.00 0.00 60.65 60.66 2pmz s ILE 42 Cb 0.06 -4.03 0.06 0.00 0.15 0.00 0.00 42.46 38.70 2pmz s ILE 42 CO 0.03 -0.88 0.29 -0.54 -2.11 0.00 0.00 174.94 171.73 2pmz s LYS 43 N 6.25 2.78 -0.28 3.50 1.02 -1.26 -5.06 119.74 126.69 2pmz s LYS 43 Ca 0.65 -1.33 -0.20 0.00 0.02 0.00 0.00 55.97 55.11 2pmz s LYS 43 Cb -0.14 -3.89 -0.01 0.00 -0.52 0.00 0.00 37.83 33.26 2pmz s LYS 43 CO 0.25 -0.92 0.64 0.42 -0.92 0.00 0.00 175.35 174.82 2pmz s ILE 44 N 1.53 4.95 -0.13 2.17 1.01 -1.26 -5.05 121.20 124.41 2pmz s ILE 44 Ca 0.03 0.99 0.02 0.00 0.00 0.00 0.00 60.65 61.69 2pmz s ILE 44 Cb -0.22 -3.98 -0.00 0.00 0.01 0.00 0.00 42.46 38.26 2pmz s ILE 44 CO 0.05 -0.08 -0.19 -0.69 0.00 0.00 0.00 174.94 174.03 2pmz s VAL 45 N 2.59 2.45 -0.17 2.92 1.01 -1.26 -5.10 120.40 122.84 2pmz s VAL 45 Ca 0.26 -0.86 -0.29 0.00 0.00 0.00 0.00 61.98 61.09 2pmz s VAL 45 Cb -0.15 -2.00 -0.01 0.00 0.00 0.00 0.00 36.38 34.22 2pmz s VAL 45 CO 0.10 0.54 1.29 -1.59 0.00 0.00 0.00 175.10 175.44 2pmz s LYS 46 N 0.58 4.20 -1.42 2.72 0.00 -1.26 -4.94 119.74 119.62 2pmz s LYS 46 Ca -0.11 1.65 -0.15 0.00 0.00 0.00 0.00 55.97 57.37 2pmz s LYS 46 Cb -0.16 -3.79 0.04 0.00 0.00 0.00 0.00 37.83 33.91 2pmz s LYS 46 CO 0.03 -0.75 2.17 0.00 0.00 0.00 0.00 175.35 176.80 2pmz n ALA 47 N 6.74 5.25 1.42 0.59 0.00 -1.26 -5.36 120.51 127.89 2pmz n ALA 47 Ca 0.14 -3.85 0.14 0.00 0.00 0.00 0.00 53.44 49.86 2pmz n ALA 47 Cb 0.45 -3.55 0.46 0.00 0.00 0.00 0.00 19.45 16.81 2pmz n ALA 47 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61