#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 3.80 -0.28 0.00 2.13 -1.26 -4.65 120.64 120.38 1fdm n GLU 2 Ca 0.00 -4.34 0.00 0.00 0.66 0.00 0.00 57.16 53.48 1fdm n GLU 2 Cb 0.00 -2.63 0.00 0.00 0.27 0.00 0.00 31.44 29.08 1fdm n GLU 2 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1fdm n GLY 3 N 2.47 0.13 3.55 8.31 0.00 -1.26 -5.14 105.19 113.25 1fdm n GLY 3 Ca 0.27 -0.58 -0.15 0.00 0.00 0.00 0.00 46.02 45.57 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 -0.14 -0.56 0.15 1.61 -1.08 -1.26 -5.18 116.67 110.21 1fdm s ASP 4 Ca 0.00 0.67 0.05 0.00 -0.52 0.00 0.00 52.55 52.75 1fdm s ASP 4 Cb 0.00 0.53 -0.04 0.00 -1.46 0.00 0.00 42.92 41.95 1fdm s ASP 4 CO 0.00 -0.48 -0.12 -1.81 0.52 0.00 0.00 175.17 173.29 1fdm s ASP 5 N -1.00 1.93 -0.01 -0.34 1.11 -1.26 -5.02 116.67 112.08 1fdm s ASP 5 Ca -0.07 -0.96 -0.01 0.00 0.18 0.00 0.00 52.55 51.69 1fdm s ASP 5 Cb -0.01 -0.04 -0.02 0.00 1.07 0.00 0.00 42.92 43.92 1fdm s ASP 5 CO 0.06 -0.27 2.20 -0.81 1.18 0.00 0.00 175.17 177.53 1fdm n PRO 6 N -0.04 1.15 0.01 8.23 -0.04 -1.26 -3.74 135.00 139.31 1fdm n PRO 6 Ca -0.11 -0.18 0.00 0.00 -0.04 0.00 0.00 63.50 63.17 1fdm n PRO 6 Cb 0.60 -1.14 0.00 0.00 -0.04 0.00 0.00 33.50 32.91 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 1.58 0.99 0.15 0.55 0.00 -1.26 -4.87 120.51 117.65 1fdm n ALA 7 Ca 0.06 0.00 0.18 0.00 0.00 0.00 0.00 53.44 53.68 1fdm n ALA 7 Cb 0.55 0.00 0.64 0.00 0.00 0.00 0.00 19.45 20.64 1fdm n ALA 7 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.50 179.07 1fdm h LYS 8 N 0.00 0.00 0.00 0.00 2.10 -2.00 -2.42 116.57 114.25 1fdm h LYS 8 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1fdm h LYS 8 Cb 0.00 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.33 1fdm h LYS 8 CO 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 179.45 177.45 1fdm n ALA 9 N -2.08 0.00 0.15 0.07 0.00 -1.25 -2.32 120.51 115.09 1fdm n ALA 9 Ca 0.06 0.00 0.19 0.00 0.00 0.00 0.00 53.44 53.69 1fdm n ALA 9 Cb 0.72 0.06 0.78 0.00 0.00 0.00 0.00 19.45 21.01 1fdm n ALA 9 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1fdm h ALA 10 N -2.01 1.95 -0.20 0.00 0.00 -1.85 -1.51 119.26 115.64 1fdm h ALA 10 Ca 0.00 -0.01 0.06 0.00 0.00 0.00 0.00 54.91 54.95 1fdm h ALA 10 Cb 0.00 0.02 -0.07 0.00 0.00 0.00 0.00 17.79 17.75 1fdm h ALA 10 CO 0.00 -0.51 -0.25 0.35 0.00 0.00 0.00 179.25 178.84 1fdm h PHE 11 N 0.00 -0.66 -0.15 0.00 3.04 -1.04 0.57 116.94 118.70 1fdm h PHE 11 Ca 0.14 0.04 -0.13 0.00 3.98 0.00 0.00 57.97 62.00 1fdm h PHE 11 Cb 0.86 0.32 -0.01 0.00 2.56 0.00 0.00 35.95 39.68 1fdm h PHE 11 CO 0.00 -0.33 -0.47 0.22 -2.02 0.00 0.00 178.31 175.71 1fdm h ASP 12 N -0.28 0.40 0.00 0.41 3.58 -0.87 -2.23 116.42 117.43 1fdm h ASP 12 Ca 0.12 -0.19 0.00 0.00 0.42 0.00 0.00 57.03 57.38 1fdm h ASP 12 Cb 0.47 -0.11 0.00 0.00 1.72 0.00 0.00 39.33 41.40 1fdm h ASP 12 CO -0.36 0.82 0.00 -1.20 -2.88 0.00 0.00 179.24 175.62 1fdm n SER 13 N -3.98 0.00 -0.58 2.28 7.64 -0.34 -1.96 113.62 116.68 1fdm n SER 13 Ca -0.02 0.43 0.46 0.00 1.01 0.00 0.00 58.87 60.75 1fdm n SER 13 Cb 0.54 -0.17 0.75 0.00 -1.01 0.00 0.00 64.21 64.32 1fdm n SER 13 CO 0.00 0.00 0.00 0.17 -3.01 0.00 0.00 175.04 172.20 1fdm h LEU 14 N 0.00 0.10 0.10 -3.43 8.10 -0.07 0.72 115.31 120.82 1fdm h LEU 14 Ca 0.00 0.07 -0.00 0.00 0.11 0.00 0.00 57.88 58.05 1fdm h LEU 14 Cb 0.00 0.07 0.00 0.00 -0.44 0.00 0.00 40.66 40.29 1fdm h LEU 14 CO 0.00 -0.10 -0.05 1.56 -4.11 0.00 0.00 178.44 175.74 1fdm h GLN 15 N 0.02 -0.13 0.00 0.17 1.08 -1.39 -2.01 115.11 112.85 1fdm h GLN 15 Ca 0.88 0.01 0.00 0.00 -1.45 0.00 0.00 58.65 58.09 1fdm h GLN 15 Cb 3.23 0.03 0.00 0.00 -0.05 0.00 0.00 27.48 30.69 1fdm h GLN 15 CO -0.21 0.08 0.00 0.00 -0.95 0.00 0.00 178.83 177.75 1fdm n ALA 16 N -2.25 2.38 -0.89 3.87 0.00 0.24 -0.35 120.51 123.51 1fdm n ALA 16 Ca -0.08 -0.15 -0.11 0.00 0.00 0.00 0.00 53.44 53.10 1fdm n ALA 16 Cb 0.15 -1.40 -0.06 0.00 0.00 0.00 0.00 19.45 18.14 1fdm n ALA 16 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1fdm n SER 17 N -1.05 5.65 -3.19 0.00 7.64 -0.37 -4.29 113.62 118.00 1fdm n SER 17 Ca 0.17 -2.65 -0.18 0.00 1.01 0.00 0.00 58.87 57.22 1fdm n SER 17 Cb 0.10 -1.24 -0.03 0.00 -1.01 0.00 0.00 64.21 62.03 1fdm n SER 17 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1fdm n ALA 18 N 1.59 -0.97 0.68 -0.43 0.00 -1.25 -4.68 120.51 115.46 1fdm n ALA 18 Ca 0.27 -0.09 0.04 0.00 0.00 0.00 0.00 53.44 53.66 1fdm n ALA 18 Cb 0.67 -1.30 0.14 0.00 0.00 0.00 0.00 19.45 18.96 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 -2.89 0.72 0.02 0.00 5.66 -1.25 -4.53 114.28 112.01 1fdm n THR 19 Ca 0.05 -0.45 0.00 0.00 -3.05 0.00 0.00 64.05 60.60 1fdm n THR 19 Cb 0.42 -0.13 0.00 0.00 -1.55 0.00 0.00 70.33 69.07 1fdm n THR 19 CO 0.00 0.00 0.00 1.21 -3.05 0.00 0.00 175.07 173.23 1fdm n GLU 20 N 0.27 0.00 -0.00 1.09 4.07 -1.26 -4.92 120.64 119.89 1fdm n GLU 20 Ca 0.10 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.20 1fdm n GLU 20 Cb 0.43 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.81 1fdm n GLU 20 CO 0.00 0.00 0.00 2.48 -0.06 0.00 0.00 177.13 179.55 1fdm n TYR 21 N -2.44 0.00 -1.14 4.31 0.18 -1.26 -4.96 117.16 111.84 1fdm n TYR 21 Ca 0.00 -0.12 -0.05 0.00 1.88 0.00 0.00 57.90 59.61 1fdm n TYR 21 Cb 0.00 -0.01 -0.02 0.00 -0.38 0.00 0.00 39.34 38.93 1fdm n TYR 21 CO 0.00 0.00 0.00 0.44 -2.08 0.00 0.00 176.86 175.22 1fdm n ILE 22 N -0.12 0.00 -2.43 -3.48 -5.35 -1.25 -3.11 119.36 103.62 1fdm n ILE 22 Ca 0.00 0.00 -0.04 0.00 -0.27 0.00 0.00 62.75 62.44 1fdm n ILE 22 Cb 0.44 -0.81 -0.00 0.00 -1.74 0.00 0.00 39.64 37.53 1fdm n ILE 22 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1fdm n GLY 23 N -2.27 -0.47 3.27 3.28 0.00 0.52 -0.74 105.19 108.77 1fdm n GLY 23 Ca -0.05 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.73 1fdm n GLY 23 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1fdm n TYR 24 N -2.76 -0.75 -0.11 1.61 9.36 -1.18 -4.60 117.16 118.73 1fdm n TYR 24 Ca -0.05 0.40 0.00 0.00 3.32 0.00 0.00 57.90 61.56 1fdm n TYR 24 Cb 0.53 -1.11 0.00 0.00 -0.63 0.00 0.00 39.34 38.13 1fdm n TYR 24 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1fdm n ALA 25 N -2.61 2.01 0.23 2.98 0.00 0.08 -4.25 120.51 118.95 1fdm n ALA 25 Ca 0.07 -0.31 0.08 0.00 0.00 0.00 0.00 53.44 53.28 1fdm n ALA 25 Cb 0.28 0.00 0.56 0.00 0.00 0.00 0.00 19.45 20.29 1fdm n ALA 25 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 177.50 177.61 1fdm h TRP 26 N 0.00 0.00 0.00 0.00 0.09 -1.73 -3.28 115.95 111.03 1fdm h TRP 26 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.89 58.98 1fdm h TRP 26 Cb 0.06 0.00 0.00 0.00 0.08 0.00 0.00 29.16 29.30 1fdm h TRP 26 CO 0.00 0.20 0.00 0.00 0.09 0.00 0.00 178.44 178.73 1fdm n ALA 27 N -2.39 3.00 0.15 0.11 0.00 -1.26 -4.78 120.51 115.34 1fdm n ALA 27 Ca -0.02 0.00 0.16 0.00 0.00 0.00 0.00 53.44 53.58 1fdm n ALA 27 Cb 0.29 0.05 0.52 0.00 0.00 0.00 0.00 19.45 20.30 1fdm n ALA 27 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.50 178.02 1fdm h MET 28 N 0.00 0.00 -0.35 0.00 2.86 -1.80 0.14 114.93 115.78 1fdm h MET 28 Ca 0.00 0.00 -0.06 0.00 -2.06 0.00 0.00 59.70 57.58 1fdm h MET 28 Cb 0.00 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.65 1fdm h MET 28 CO 0.00 0.00 -0.02 -0.24 1.06 0.00 0.00 176.91 177.71 1fdm h VAL 29 N 0.00 1.26 -0.02 -2.22 3.04 -1.74 -2.59 116.25 113.99 1fdm h VAL 29 Ca 0.16 -1.02 -0.13 0.00 -1.01 0.00 0.00 66.70 64.70 1fdm h VAL 29 Cb 1.60 1.23 0.01 0.00 -2.01 0.00 0.00 31.29 32.12 1fdm h VAL 29 CO -0.00 0.33 -0.52 0.58 -1.01 0.00 0.00 177.57 176.96 1fdm h VAL 30 N 0.43 1.44 -0.42 1.51 2.07 -0.96 -2.70 116.25 117.62 1fdm h VAL 30 Ca 0.10 -2.00 0.08 0.00 0.82 0.00 0.00 66.70 65.70 1fdm h VAL 30 Cb 0.49 2.56 -0.09 0.00 -1.52 0.00 0.00 31.29 32.72 1fdm h VAL 30 CO 0.02 0.58 -0.30 0.58 0.02 0.00 0.00 177.57 178.47 1fdm h VAL 31 N -0.15 0.26 0.15 2.57 2.07 -1.49 -1.22 116.25 118.44 1fdm h VAL 31 Ca -0.06 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.45 1fdm h VAL 31 Cb 1.22 0.26 0.00 0.00 -1.52 0.00 0.00 31.29 31.25 1fdm h VAL 31 CO 0.10 0.00 -0.07 -0.29 0.02 0.00 0.00 177.57 177.33 1fdm h ILE 32 N -0.22 0.88 -0.56 4.57 2.10 -1.54 0.11 117.51 122.85 1fdm h ILE 32 Ca 0.19 -0.11 0.16 0.00 1.08 0.00 0.00 64.86 66.17 1fdm h ILE 32 Cb 0.52 0.95 -0.02 0.00 -1.09 0.00 0.00 36.82 37.18 1fdm h ILE 32 CO -0.54 0.03 0.84 0.58 -1.08 0.00 0.00 178.15 177.97 1fdm h VAL 33 N -0.26 0.11 0.14 2.19 2.07 -0.93 2.11 116.25 121.68 1fdm h VAL 33 Ca -0.02 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.49 1fdm h VAL 33 Cb 0.20 0.29 0.00 0.00 -1.52 0.00 0.00 31.29 30.26 1fdm h VAL 33 CO 0.03 0.00 -0.07 1.23 0.02 0.00 0.00 177.57 178.79 1fdm h GLY 34 N 0.00 -0.19 0.90 2.17 0.00 0.13 -0.53 103.07 105.55 1fdm h GLY 34 Ca 0.26 0.07 -0.01 0.00 0.00 0.00 0.00 47.33 47.66 1fdm h GLY 34 CO -0.00 -0.07 -0.10 0.00 0.00 0.00 0.00 176.54 176.37 1fdm h ALA 35 N 0.09 -0.27 0.46 3.60 0.00 0.35 -1.01 119.26 122.47 1fdm h ALA 35 Ca -0.02 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 1fdm h ALA 35 Cb 0.50 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 1fdm h ALA 35 CO 0.03 -0.60 -0.40 1.15 0.00 0.00 0.00 179.25 179.43 1fdm h THR 36 N -0.38 0.00 0.00 0.00 2.02 -0.45 -0.33 112.91 113.77 1fdm h THR 36 Ca -0.03 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.15 1fdm h THR 36 Cb 0.29 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.70 1fdm h THR 36 CO 0.05 0.00 0.30 0.40 0.37 0.00 0.00 175.52 176.63 1fdm h ILE 37 N -0.84 0.00 0.21 3.11 2.04 -1.13 0.41 117.51 121.31 1fdm h ILE 37 Ca -0.06 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.79 1fdm h ILE 37 Cb 0.71 0.64 0.00 0.00 -0.74 0.00 0.00 36.82 37.43 1fdm h ILE 37 CO -0.01 0.00 -0.10 1.23 0.00 0.00 0.00 178.15 179.26 1fdm h GLY 38 N 0.00 -0.30 1.69 5.37 0.00 0.31 -2.54 103.07 107.60 1fdm h GLY 38 Ca 0.00 0.11 0.00 0.00 0.00 0.00 0.00 47.33 47.44 1fdm h GLY 38 CO 0.00 -0.11 0.00 4.51 0.00 0.00 0.00 176.54 180.94 1fdm n ILE 39 N -4.96 0.63 0.00 2.60 0.13 -0.57 -1.41 119.36 115.77 1fdm n ILE 39 Ca -0.05 0.16 0.00 0.00 -1.10 0.00 0.00 62.75 61.76 1fdm n ILE 39 Cb 0.17 -0.88 0.00 0.00 -0.84 0.00 0.00 39.64 38.08 1fdm n ILE 39 CO 0.00 0.00 0.00 1.17 2.80 0.00 0.00 176.55 180.52 1fdm n LYS 40 N -1.34 0.00 0.26 9.51 0.00 0.13 -1.31 118.16 125.41 1fdm n LYS 40 Ca 0.07 0.47 0.14 0.00 0.00 0.00 0.00 58.31 58.98 1fdm n LYS 40 Cb 0.15 -0.99 0.70 0.00 0.00 0.00 0.00 35.03 34.89 1fdm n LYS 40 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.40 178.65 1fdm h LEU 41 N 0.00 0.00 0.00 3.14 5.85 -1.52 -1.17 115.31 121.61 1fdm h LEU 41 Ca 0.00 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.71 1fdm h LEU 41 Cb 0.00 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.03 1fdm h LEU 41 CO 0.00 0.12 -0.04 0.15 -0.34 0.00 0.00 178.44 178.32 1fdm h PHE 42 N 0.00 0.00 0.00 1.25 3.57 -1.38 -3.29 116.94 117.09 1fdm h PHE 42 Ca -0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 1fdm h PHE 42 Cb 0.43 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.17 1fdm h PHE 42 CO 0.00 1.00 0.00 1.17 -2.23 0.00 0.00 178.31 178.25 1fdm n LYS 43 N -4.61 0.00 0.24 1.11 3.00 -0.43 -2.64 118.16 114.83 1fdm n LYS 43 Ca -0.11 0.16 0.10 0.00 -0.00 0.00 0.00 58.31 58.47 1fdm n LYS 43 Cb 0.48 -1.50 0.57 0.00 0.00 0.00 0.00 35.03 34.58 1fdm n LYS 43 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.40 177.18 1fdm h LYS 44 N 0.00 0.00 0.04 1.64 3.64 -1.28 0.98 116.57 121.59 1fdm h LYS 44 Ca 0.00 0.00 -0.32 0.00 -1.27 0.00 0.00 60.65 59.06 1fdm h LYS 44 Cb 0.34 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.12 1fdm h LYS 44 CO 0.00 0.20 -1.79 0.34 -2.27 0.00 0.00 179.45 175.93 1fdm n PHE 45 N -3.56 0.85 0.31 1.91 -0.00 -1.08 -1.07 117.46 114.82 1fdm n PHE 45 Ca -0.01 0.28 0.16 0.00 -0.00 0.00 0.00 57.45 57.88 1fdm n PHE 45 Cb 0.35 -1.10 0.68 0.00 -0.00 0.00 0.00 39.48 39.41 1fdm n PHE 45 CO 0.00 0.00 0.00 1.15 -0.00 0.00 0.00 176.76 177.91 1fdm h THR 46 N -0.60 0.00 0.00 -2.13 2.02 -1.55 0.27 112.91 110.93 1fdm h THR 46 Ca -0.45 -0.29 0.00 0.00 0.77 0.00 0.00 66.41 66.44 1fdm h THR 46 Cb 1.62 1.14 0.00 0.00 -1.74 0.00 0.00 68.15 69.17 1fdm h THR 46 CO -0.15 0.00 -0.48 -1.20 0.37 0.00 0.00 175.52 174.07 1fdm n SER 47 N -2.70 1.45 0.00 4.18 7.64 0.33 -4.64 113.62 119.89 1fdm n SER 47 Ca 0.00 0.22 0.14 0.00 1.01 0.00 0.00 58.87 60.24 1fdm n SER 47 Cb 0.22 -0.53 0.65 0.00 -1.01 0.00 0.00 64.21 63.54 1fdm n SER 47 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1fdm n LYS 48 N -3.90 0.16 -4.20 1.43 4.76 -0.24 -4.89 118.16 111.28 1fdm n LYS 48 Ca -0.07 0.02 -0.33 0.00 -2.87 0.00 0.00 58.31 55.06 1fdm n LYS 48 Cb 0.25 -1.50 -0.04 0.00 -1.84 0.00 0.00 35.03 31.90 1fdm n LYS 48 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1fdm n ALA 49 N -1.42 -1.54 0.31 7.82 0.00 0.95 -4.92 120.51 121.71 1fdm n ALA 49 Ca 0.09 -0.14 0.04 0.00 0.00 0.00 0.00 53.44 53.43 1fdm n ALA 49 Cb 0.29 -2.55 0.03 0.00 0.00 0.00 0.00 19.45 17.22 1fdm n ALA 49 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93