#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fdm n GLU 2 N 0.00 1.73 -0.07 0.00 1.02 -1.26 -4.88 120.64 117.18 1fdm n GLU 2 Ca 0.00 -3.57 -0.12 0.00 -0.02 0.00 0.00 57.16 53.45 1fdm n GLU 2 Cb 0.00 -1.51 -0.04 0.00 -0.02 0.00 0.00 31.44 29.87 1fdm n GLU 2 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1fdm n GLY 3 N -0.19 -0.36 2.88 0.62 0.00 -1.26 -5.02 105.19 101.86 1fdm n GLY 3 Ca 0.16 -0.18 -0.14 0.00 0.00 0.00 0.00 46.02 45.86 1fdm n GLY 3 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1fdm s ASP 4 N -6.28 0.07 -0.47 1.61 2.15 -1.26 -5.09 116.67 107.40 1fdm s ASP 4 Ca -0.23 0.26 0.06 0.00 0.43 0.00 0.00 52.55 53.06 1fdm s ASP 4 Cb 0.06 0.15 0.18 0.00 -0.30 0.00 0.00 42.92 43.01 1fdm s ASP 4 CO 0.32 -0.16 0.58 1.51 -0.17 0.00 0.00 175.17 177.25 1fdm s ASP 5 N 1.34 -0.43 -1.32 -0.34 1.47 -1.26 -4.99 116.67 111.14 1fdm s ASP 5 Ca -0.07 -2.05 -0.16 0.00 1.18 0.00 0.00 52.55 51.45 1fdm s ASP 5 Cb -0.12 1.12 0.01 0.00 -0.34 0.00 0.00 42.92 43.59 1fdm s ASP 5 CO -0.05 -0.11 2.13 -0.81 0.68 0.00 0.00 175.17 177.01 1fdm n PRO 6 N 3.11 2.62 -0.97 2.11 -0.04 -1.26 -4.10 135.00 136.46 1fdm n PRO 6 Ca 0.21 -2.52 0.00 0.00 -0.04 0.00 0.00 63.50 61.14 1fdm n PRO 6 Cb 0.53 -3.25 0.00 0.00 -0.04 0.00 0.00 33.50 30.74 1fdm n PRO 6 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1fdm n ALA 7 N 6.67 0.00 -0.01 0.55 0.00 -1.26 -4.89 120.51 121.57 1fdm n ALA 7 Ca 0.51 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.83 1fdm n ALA 7 Cb 0.40 -0.28 -0.10 0.00 0.00 0.00 0.00 19.45 19.47 1fdm n ALA 7 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1fdm h LYS 8 N 1.19 -0.05 0.04 0.00 1.57 -1.95 -0.04 116.57 117.33 1fdm h LYS 8 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 1fdm h LYS 8 Cb 0.16 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.46 1fdm h LYS 8 CO 0.00 0.54 -0.18 0.00 -0.57 0.00 0.00 179.45 179.23 1fdm h ALA 9 N 0.19 -0.71 -0.43 3.86 0.00 -1.90 -1.35 119.26 118.93 1fdm h ALA 9 Ca -0.01 -0.04 0.04 0.00 0.00 0.00 0.00 54.91 54.91 1fdm h ALA 9 Cb 0.61 0.61 -0.02 0.00 0.00 0.00 0.00 17.79 18.99 1fdm h ALA 9 CO 0.01 -0.75 0.29 0.00 0.00 0.00 0.00 179.25 178.80 1fdm h ALA 10 N -1.20 1.88 -0.60 0.00 0.00 -1.95 -2.31 119.26 115.09 1fdm h ALA 10 Ca -0.00 -0.02 0.10 0.00 0.00 0.00 0.00 54.91 54.99 1fdm h ALA 10 Cb 0.26 -0.11 -0.11 0.00 0.00 0.00 0.00 17.79 17.83 1fdm h ALA 10 CO -0.10 0.06 -0.34 0.74 0.00 0.00 0.00 179.25 179.60 1fdm h PHE 11 N 0.42 -0.95 -0.14 0.00 0.04 0.15 0.74 116.94 117.20 1fdm h PHE 11 Ca 0.18 0.07 -0.09 0.00 2.80 0.00 0.00 57.97 60.93 1fdm h PHE 11 Cb 0.20 0.50 -0.01 0.00 2.20 0.00 0.00 35.95 38.84 1fdm h PHE 11 CO -0.00 -0.38 -0.32 0.22 -0.60 0.00 0.00 178.31 177.23 1fdm h ASP 12 N -0.16 0.28 0.00 2.17 3.58 -1.04 -2.59 116.42 118.66 1fdm h ASP 12 Ca 0.23 -0.10 0.00 0.00 0.42 0.00 0.00 57.03 57.58 1fdm h ASP 12 Cb 0.55 -0.08 0.00 0.00 1.72 0.00 0.00 39.33 41.53 1fdm h ASP 12 CO -0.69 0.59 0.00 -1.20 -2.88 0.00 0.00 179.24 175.07 1fdm n SER 13 N -4.10 0.00 -0.43 2.28 7.64 0.17 -1.90 113.62 117.29 1fdm n SER 13 Ca -0.01 0.33 0.37 0.00 1.01 0.00 0.00 58.87 60.57 1fdm n SER 13 Cb 0.42 -0.16 0.63 0.00 -1.01 0.00 0.00 64.21 64.09 1fdm n SER 13 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1fdm n LEU 14 N -0.99 0.22 0.19 -3.43 -0.00 0.20 -0.77 117.00 112.42 1fdm n LEU 14 Ca 0.00 1.36 -0.08 0.00 -0.00 0.00 0.00 56.01 57.29 1fdm n LEU 14 Cb 0.00 -0.67 -0.04 0.00 -0.00 0.00 0.00 43.42 42.72 1fdm n LEU 14 CO 0.00 -1.49 0.28 1.56 -0.00 0.00 0.00 177.39 177.75 1fdm h GLN 15 N 0.00 -0.50 0.00 1.47 1.08 -1.55 -3.07 115.11 112.55 1fdm h GLN 15 Ca 0.83 0.03 0.00 0.00 -1.45 0.00 0.00 58.65 58.07 1fdm h GLN 15 Cb 2.62 0.11 0.00 0.00 -0.05 0.00 0.00 27.48 30.16 1fdm h GLN 15 CO -0.49 -0.33 0.65 0.00 -0.95 0.00 0.00 178.83 177.71 1fdm h ALA 16 N -1.44 1.61 -0.07 3.87 0.00 -0.23 -1.89 119.26 121.12 1fdm h ALA 16 Ca -0.05 0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.76 1fdm h ALA 16 Cb 0.40 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.15 1fdm h ALA 16 CO 0.09 -0.61 -0.02 -1.13 0.00 0.00 0.00 179.25 177.58 1fdm n SER 17 N -2.53 5.50 -3.97 0.00 3.41 -0.84 -4.23 113.62 110.96 1fdm n SER 17 Ca -0.01 -2.53 -0.43 0.00 -0.26 0.00 0.00 58.87 55.65 1fdm n SER 17 Cb 0.67 -1.18 0.03 0.00 -0.26 0.00 0.00 64.21 63.46 1fdm n SER 17 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1fdm n ALA 18 N 1.55 -2.59 -0.10 7.33 0.00 -0.73 -4.88 120.51 121.08 1fdm n ALA 18 Ca 0.14 -0.49 -0.14 0.00 0.00 0.00 0.00 53.44 52.95 1fdm n ALA 18 Cb 0.60 -3.06 -0.09 0.00 0.00 0.00 0.00 19.45 16.90 1fdm n ALA 18 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 1fdm n THR 19 N -4.81 1.13 -3.15 0.00 5.66 -1.08 -4.78 114.28 107.25 1fdm n THR 19 Ca -0.11 -0.42 -0.24 0.00 -3.05 0.00 0.00 64.05 60.23 1fdm n THR 19 Cb 0.57 -1.24 -0.05 0.00 -1.55 0.00 0.00 70.33 68.06 1fdm n THR 19 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 1fdm n GLU 20 N -3.14 2.09 -0.27 1.09 1.02 -1.26 -4.92 120.64 115.25 1fdm n GLU 20 Ca -0.35 -4.17 0.00 0.00 -0.02 0.00 0.00 57.16 52.61 1fdm n GLU 20 Cb 0.86 -1.94 0.00 0.00 -0.02 0.00 0.00 31.44 30.35 1fdm n GLU 20 CO 0.00 0.00 0.00 2.48 1.18 0.00 0.00 177.13 180.79 1fdm n TYR 21 N 0.41 0.00 -0.45 -0.32 0.18 -1.26 -4.39 117.16 111.33 1fdm n TYR 21 Ca 0.28 0.00 0.00 0.00 1.88 0.00 0.00 57.90 60.06 1fdm n TYR 21 Cb 0.49 -1.11 0.00 0.00 -0.38 0.00 0.00 39.34 38.34 1fdm n TYR 21 CO 0.00 0.00 0.00 1.51 -2.08 0.00 0.00 176.86 176.29 1fdm n ILE 22 N -1.10 0.15 0.33 -3.48 3.06 -1.26 -4.59 119.36 112.47 1fdm n ILE 22 Ca 0.00 -0.35 0.18 0.00 -2.50 0.00 0.00 62.75 60.08 1fdm n ILE 22 Cb 0.00 1.26 0.96 0.00 0.54 0.00 0.00 39.64 42.40 1fdm n ILE 22 CO 0.00 0.00 0.00 1.23 -2.50 0.00 0.00 176.55 175.28 1fdm h GLY 23 N 0.00 0.00 -1.25 4.50 0.00 -1.74 -1.59 103.07 102.98 1fdm h GLY 23 Ca 0.00 0.00 0.36 0.00 0.00 0.00 0.00 47.33 47.69 1fdm h GLY 23 CO 0.00 0.00 1.15 1.58 0.00 0.00 0.00 176.54 179.27 1fdm n TYR 24 N -2.93 0.00 0.00 5.60 0.18 -1.26 -3.79 117.16 114.96 1fdm n TYR 24 Ca -0.02 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.76 1fdm n TYR 24 Cb 0.26 -0.31 0.00 0.00 -0.38 0.00 0.00 39.34 38.90 1fdm n TYR 24 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 1fdm n ALA 25 N -2.41 0.00 -1.80 -3.48 0.00 -0.60 -5.00 120.51 107.22 1fdm n ALA 25 Ca 0.28 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.70 1fdm n ALA 25 Cb 1.53 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 20.95 1fdm n ALA 25 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 177.50 174.83 1fdm n TRP 26 N 0.00 0.00 0.25 0.00 4.27 -1.21 -4.93 117.44 115.82 1fdm n TRP 26 Ca 0.00 -0.18 0.14 0.00 -3.89 0.00 0.00 57.50 53.57 1fdm n TRP 26 Cb 0.00 0.33 0.81 0.00 -1.36 0.00 0.00 31.31 31.09 1fdm n TRP 26 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1fdm h ALA 27 N 0.00 1.77 -1.00 -1.67 0.00 -1.92 -2.26 119.26 114.19 1fdm h ALA 27 Ca -0.21 -0.00 0.39 0.00 0.00 0.00 0.00 54.91 55.09 1fdm h ALA 27 Cb 0.95 0.01 -0.18 0.00 0.00 0.00 0.00 17.79 18.57 1fdm h ALA 27 CO -0.11 -0.10 0.48 0.52 0.00 0.00 0.00 179.25 180.05 1fdm h MET 28 N 0.00 0.03 -0.27 0.00 2.86 -1.95 0.43 114.93 116.04 1fdm h MET 28 Ca 0.03 -0.00 0.05 0.00 -2.06 0.00 0.00 59.70 57.72 1fdm h MET 28 Cb 0.16 -0.01 -0.05 0.00 0.06 0.00 0.00 31.60 31.76 1fdm h MET 28 CO -0.00 0.02 -0.05 -0.24 1.06 0.00 0.00 176.91 177.70 1fdm h VAL 29 N 0.03 0.75 0.00 -2.22 3.04 -1.84 0.93 116.25 116.94 1fdm h VAL 29 Ca 0.81 -0.01 -0.02 0.00 -1.01 0.00 0.00 66.70 66.47 1fdm h VAL 29 Cb 2.07 0.73 -0.00 0.00 -2.01 0.00 0.00 31.29 32.07 1fdm h VAL 29 CO -0.77 0.00 -0.10 1.62 -1.01 0.00 0.00 177.57 177.31 1fdm h VAL 30 N 0.02 0.47 0.31 1.51 3.04 -0.36 -2.12 116.25 119.12 1fdm h VAL 30 Ca 0.13 -0.49 -0.02 0.00 -1.01 0.00 0.00 66.70 65.32 1fdm h VAL 30 Cb 0.19 1.33 0.00 0.00 -2.01 0.00 0.00 31.29 30.81 1fdm h VAL 30 CO -0.27 0.10 -0.15 0.58 -1.01 0.00 0.00 177.57 176.82 1fdm h VAL 31 N 0.00 0.00 0.59 1.51 2.07 -0.25 -0.97 116.25 119.19 1fdm h VAL 31 Ca -0.00 -0.03 -0.03 0.00 0.82 0.00 0.00 66.70 67.46 1fdm h VAL 31 Cb 0.32 0.00 0.01 0.00 -1.52 0.00 0.00 31.29 30.10 1fdm h VAL 31 CO 0.01 0.00 -0.28 -0.29 0.02 0.00 0.00 177.57 177.03 1fdm h ILE 32 N -0.45 0.41 -0.52 4.57 2.10 -1.46 -0.25 117.51 121.92 1fdm h ILE 32 Ca -0.04 -0.08 0.15 0.00 1.08 0.00 0.00 64.86 65.97 1fdm h ILE 32 Cb 0.32 0.44 -0.02 0.00 -1.09 0.00 0.00 36.82 36.47 1fdm h ILE 32 CO 0.07 0.01 0.78 0.58 -1.08 0.00 0.00 178.15 178.52 1fdm h VAL 33 N -0.84 0.13 0.09 2.19 2.07 -1.47 1.53 116.25 119.95 1fdm h VAL 33 Ca -0.08 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.44 1fdm h VAL 33 Cb 0.62 0.33 0.00 0.00 -1.52 0.00 0.00 31.29 30.72 1fdm h VAL 33 CO 0.13 0.00 -0.04 1.23 0.02 0.00 0.00 177.57 178.91 1fdm h GLY 34 N 0.00 -0.12 0.72 2.17 0.00 0.39 -0.88 103.07 105.34 1fdm h GLY 34 Ca 0.25 0.05 -0.02 0.00 0.00 0.00 0.00 47.33 47.60 1fdm h GLY 34 CO -0.00 -0.04 -0.02 0.00 0.00 0.00 0.00 176.54 176.47 1fdm h ALA 35 N 0.37 0.13 0.30 3.60 0.00 0.23 0.14 119.26 124.03 1fdm h ALA 35 Ca -0.01 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.67 1fdm h ALA 35 Cb 0.42 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1fdm h ALA 35 CO 0.02 -0.14 -0.16 1.15 0.00 0.00 0.00 179.25 180.12 1fdm h THR 36 N -0.14 0.00 0.00 0.00 2.02 -0.62 -1.03 112.91 113.14 1fdm h THR 36 Ca 0.02 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.20 1fdm h THR 36 Cb 0.42 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.83 1fdm h THR 36 CO 0.01 0.00 0.00 0.40 0.37 0.00 0.00 175.52 176.30 1fdm h ILE 37 N -0.42 0.00 0.00 3.11 5.03 -1.27 0.27 117.51 124.23 1fdm h ILE 37 Ca -0.04 -0.08 0.00 0.00 -0.12 0.00 0.00 64.86 64.62 1fdm h ILE 37 Cb 0.32 1.06 0.00 0.00 -3.03 0.00 0.00 36.82 35.17 1fdm h ILE 37 CO 0.06 0.00 0.00 0.61 -0.68 0.00 0.00 178.15 178.14 1fdm n GLY 38 N -0.90 -1.16 0.02 5.37 0.00 0.48 -1.95 105.19 107.05 1fdm n GLY 38 Ca -0.02 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.04 1fdm n GLY 38 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1fdm n ILE 39 N -1.93 1.46 0.00 -0.61 2.08 -0.42 -1.98 119.36 117.96 1fdm n ILE 39 Ca 0.00 0.40 0.00 0.00 0.56 0.00 0.00 62.75 63.71 1fdm n ILE 39 Cb 0.00 -1.29 0.00 0.00 -0.75 0.00 0.00 39.64 37.60 1fdm n ILE 39 CO 0.00 0.00 0.00 1.17 0.56 0.00 0.00 176.55 178.28 1fdm n LYS 40 N -1.60 0.00 -0.31 0.38 4.81 0.93 -0.80 118.16 121.57 1fdm n LYS 40 Ca 0.01 0.22 0.20 0.00 -0.87 0.00 0.00 58.31 57.87 1fdm n LYS 40 Cb 0.09 -0.77 0.47 0.00 0.02 0.00 0.00 35.03 34.84 1fdm n LYS 40 CO 0.00 0.00 0.00 -0.07 1.17 0.00 0.00 177.40 178.50 1fdm h LEU 41 N 0.00 0.51 0.34 3.14 -0.00 -1.42 1.33 115.31 119.21 1fdm h LEU 41 Ca 0.00 0.08 -0.02 0.00 -0.00 0.00 0.00 57.88 57.94 1fdm h LEU 41 Cb 0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 40.66 40.66 1fdm h LEU 41 CO 0.00 0.14 -0.16 0.15 -0.00 0.00 0.00 178.44 178.56 1fdm h PHE 42 N 0.47 -0.42 -0.04 1.13 3.57 -1.53 -3.18 116.94 116.94 1fdm h PHE 42 Ca 0.57 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 62.05 1fdm h PHE 42 Cb 1.32 0.14 -0.00 0.00 2.79 0.00 0.00 35.95 40.20 1fdm h PHE 42 CO -0.00 -0.26 0.01 1.17 -2.23 0.00 0.00 178.31 176.99 1fdm n LYS 43 N -4.26 1.18 0.04 1.11 4.81 0.02 -3.20 118.16 117.86 1fdm n LYS 43 Ca -0.06 -0.17 -0.04 0.00 -0.87 0.00 0.00 58.31 57.18 1fdm n LYS 43 Cb 0.18 -1.43 0.20 0.00 0.02 0.00 0.00 35.03 34.00 1fdm n LYS 43 CO 0.00 0.00 0.00 -0.22 1.17 0.00 0.00 177.40 178.35 1fdm h LYS 44 N 0.18 0.42 0.00 1.64 1.63 0.18 -3.44 116.57 117.18 1fdm h LYS 44 Ca 0.01 -0.18 0.00 0.00 -0.85 0.00 0.00 60.65 59.63 1fdm h LYS 44 Cb 0.70 -0.02 0.00 0.00 -0.60 0.00 0.00 32.23 32.32 1fdm h LYS 44 CO 0.04 0.70 0.00 1.97 -3.45 0.00 0.00 179.45 178.70 1fdm n PHE 45 N -4.08 0.00 -1.59 1.91 1.16 -1.25 -4.90 117.46 108.70 1fdm n PHE 45 Ca -0.01 0.00 -0.12 0.00 -1.87 0.00 0.00 57.45 55.45 1fdm n PHE 45 Cb 0.44 0.00 -0.04 0.00 -1.61 0.00 0.00 39.48 38.27 1fdm n PHE 45 CO 0.00 0.00 0.00 2.41 -1.87 0.00 0.00 176.76 177.30 1fdm n THR 46 N 0.00 -0.16 0.00 1.97 -1.04 -1.26 -4.95 114.28 108.85 1fdm n THR 46 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1fdm n THR 46 Cb 0.00 -1.49 0.00 0.00 -1.82 0.00 0.00 70.33 67.02 1fdm n THR 46 CO 0.00 0.00 0.00 -0.24 -0.64 0.00 0.00 175.07 174.19 1fdm n SER 47 N 0.02 0.00 -0.11 8.00 2.88 -1.23 -4.43 113.62 118.75 1fdm n SER 47 Ca -0.12 0.01 -0.24 0.00 -1.33 0.00 0.00 58.87 57.19 1fdm n SER 47 Cb 0.45 0.00 -0.11 0.00 -0.75 0.00 0.00 64.21 63.79 1fdm n SER 47 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1fdm n LYS 48 N -0.02 0.59 -0.98 -1.46 5.02 -1.26 -4.76 118.16 115.28 1fdm n LYS 48 Ca 0.00 0.45 0.00 0.00 -2.02 0.00 0.00 58.31 56.75 1fdm n LYS 48 Cb 0.00 -1.67 -0.01 0.00 -0.02 0.00 0.00 35.03 33.34 1fdm n LYS 48 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1fdm n ALA 49 N -3.62 2.50 -0.16 7.82 0.00 -1.26 -5.17 120.51 120.62 1fdm n ALA 49 Ca -0.39 -1.30 0.00 0.00 0.00 0.00 0.00 53.44 51.75 1fdm n ALA 49 Cb 0.78 -0.48 0.00 0.00 0.00 0.00 0.00 19.45 19.74 1fdm n ALA 49 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37