#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 0.00 -2.18 0.00 4.07 -1.26 -4.78 120.64 116.50 1fdm n GLU 2 Ca 0.00 0.00 -0.02 0.00 -0.06 0.00 0.00 57.16 57.08 1fdm n GLU 2 Cb 0.00 0.00 0.08 0.00 -0.06 0.00 0.00 31.44 31.46 1fdm n GLU 2 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1fdm n GLY 3 N 0.00 1.06 2.86 8.31 0.00 -1.26 -5.07 105.19 111.10 1fdm n GLY 3 Ca 0.00 -0.11 -0.02 0.00 0.00 0.00 0.00 46.02 45.89 1fdm n GLY 3 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1fdm n ASP 4 N -0.99 -5.10 -3.15 1.61 2.03 -1.26 -5.02 116.55 104.68 1fdm n ASP 4 Ca -0.13 1.10 0.04 0.00 0.52 0.00 0.00 54.79 56.31 1fdm n ASP 4 Cb 0.75 -3.62 -0.00 0.00 -0.72 0.00 0.00 41.12 37.53 1fdm n ASP 4 CO 0.00 0.00 0.00 -1.81 -1.92 0.00 0.00 177.20 173.47 1fdm s ASP 5 N -0.76 -1.60 -1.31 1.67 1.11 -1.26 -5.06 116.67 109.47 1fdm s ASP 5 Ca -0.10 0.24 -0.17 0.00 0.18 0.00 0.00 52.55 52.71 1fdm s ASP 5 Cb 0.01 2.04 0.01 0.00 1.07 0.00 0.00 42.92 46.04 1fdm s ASP 5 CO 0.44 -0.29 2.04 -0.81 1.18 0.00 0.00 175.17 177.73 1fdm n PRO 6 N 5.42 2.68 0.00 8.23 -0.04 -1.26 -3.15 135.00 146.87 1fdm n PRO 6 Ca 0.05 -2.67 0.00 0.00 -0.04 0.00 0.00 63.50 60.84 1fdm n PRO 6 Cb 0.54 -3.32 0.00 0.00 -0.04 0.00 0.00 33.50 30.68 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 7.41 0.00 -0.59 0.55 0.00 -1.26 -4.97 120.51 121.65 1fdm n ALA 7 Ca 0.50 0.00 0.46 0.00 0.00 0.00 0.00 53.44 54.41 1fdm n ALA 7 Cb 0.41 0.00 0.74 0.00 0.00 0.00 0.00 19.45 20.61 1fdm n ALA 7 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1fdm n LYS 8 N 0.00 -0.02 0.13 0.00 5.02 -1.19 -0.27 118.16 121.83 1fdm n LYS 8 Ca 0.00 1.16 -0.14 0.00 -2.02 0.00 0.00 58.31 57.31 1fdm n LYS 8 Cb 0.00 -2.46 -0.08 0.00 -0.02 0.00 0.00 35.03 32.47 1fdm n LYS 8 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1fdm h ALA 9 N 1.28 -0.96 -0.49 7.82 0.00 -1.93 -1.53 119.26 123.45 1fdm h ALA 9 Ca 0.90 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 55.68 1fdm h ALA 9 Cb 3.28 0.76 -0.02 0.00 0.00 0.00 0.00 17.79 21.81 1fdm h ALA 9 CO -0.24 -1.04 0.22 0.00 0.00 0.00 0.00 179.25 178.19 1fdm h ALA 10 N -0.84 1.46 -0.85 0.00 0.00 -1.05 -2.55 119.26 115.43 1fdm h ALA 10 Ca -0.02 -0.12 0.15 0.00 0.00 0.00 0.00 54.91 54.93 1fdm h ALA 10 Cb 0.63 -0.20 -0.15 0.00 0.00 0.00 0.00 17.79 18.07 1fdm h ALA 10 CO -0.18 0.42 -0.29 0.35 0.00 0.00 0.00 179.25 179.55 1fdm h PHE 11 N 0.69 -0.74 -0.03 0.00 3.04 -0.62 1.22 116.94 120.51 1fdm h PHE 11 Ca 0.17 0.09 -0.14 0.00 3.98 0.00 0.00 57.97 62.07 1fdm h PHE 11 Cb 0.10 0.46 -0.02 0.00 2.56 0.00 0.00 35.95 39.05 1fdm h PHE 11 CO 0.01 -0.39 -0.61 0.38 -2.02 0.00 0.00 178.31 175.68 1fdm h ASP 12 N -0.03 0.11 0.00 0.41 3.04 -1.11 -2.25 116.42 116.58 1fdm h ASP 12 Ca 0.36 -0.07 0.00 0.00 -3.24 0.00 0.00 57.03 54.08 1fdm h ASP 12 Cb 0.61 -0.03 0.00 0.00 -1.04 0.00 0.00 39.33 38.87 1fdm h ASP 12 CO -0.88 0.69 0.00 -0.24 -2.04 0.00 0.00 179.24 176.77 1fdm n SER 13 N -3.84 0.00 -0.21 4.15 2.88 0.37 -1.24 113.62 115.73 1fdm n SER 13 Ca -0.02 0.46 -0.07 0.00 -1.33 0.00 0.00 58.87 57.91 1fdm n SER 13 Cb 0.61 -0.23 -0.02 0.00 -0.75 0.00 0.00 64.21 63.83 1fdm n SER 13 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 1fdm h LEU 14 N 0.00 -1.37 -0.58 2.46 3.38 -0.25 0.36 115.31 119.32 1fdm h LEU 14 Ca 0.00 0.24 0.11 0.00 0.09 0.00 0.00 57.88 58.32 1fdm h LEU 14 Cb 0.00 0.64 -0.11 0.00 0.09 0.00 0.00 40.66 41.28 1fdm h LEU 14 CO 0.00 -0.32 -0.22 1.56 0.09 0.00 0.00 178.44 179.55 1fdm h GLN 15 N -0.20 -0.07 0.00 1.13 1.08 -1.51 -2.12 115.11 113.41 1fdm h GLN 15 Ca 0.20 0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.41 1fdm h GLN 15 Cb 0.56 0.02 0.00 0.00 -0.05 0.00 0.00 27.48 28.01 1fdm h GLN 15 CO -0.69 -0.05 0.00 0.00 -0.95 0.00 0.00 178.83 177.14 1fdm n ALA 16 N -3.06 0.00 -2.60 3.87 0.00 0.12 0.23 120.51 119.07 1fdm n ALA 16 Ca 0.06 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.08 1fdm n ALA 16 Cb 0.33 0.01 -0.03 0.00 0.00 0.00 0.00 19.45 19.77 1fdm n ALA 16 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1fdm s SER 17 N -2.53 6.47 0.00 0.00 1.04 -0.72 -1.40 113.70 116.56 1fdm s SER 17 Ca 0.00 -1.39 0.00 0.00 0.48 0.00 0.00 55.95 55.04 1fdm s SER 17 Cb 0.00 -2.55 0.00 0.00 0.10 0.00 0.00 66.02 63.57 1fdm s SER 17 CO 0.00 -1.50 0.00 0.00 0.98 0.00 0.00 173.24 172.72 1fdm n ALA 18 N 8.71 0.77 0.01 5.32 0.00 -0.81 -4.57 120.51 129.93 1fdm n ALA 18 Ca 0.28 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.72 1fdm n ALA 18 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.96 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 0.00 0.00 0.00 0.00 5.66 -1.26 -4.89 114.28 113.79 1fdm n THR 19 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1fdm n THR 19 Cb 0.00 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 1fdm n THR 19 CO 0.00 0.00 0.00 -1.84 -3.05 0.00 0.00 175.07 170.18 1fdm n GLU 20 N -2.33 0.00 0.00 1.09 0.00 -1.26 -3.98 120.64 114.17 1fdm n GLU 20 Ca 0.00 0.00 0.10 0.00 0.00 0.00 0.00 57.16 57.26 1fdm n GLU 20 Cb 0.00 0.00 0.53 0.00 0.00 0.00 0.00 31.44 31.97 1fdm n GLU 20 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.13 179.61 1fdm n TYR 21 N 0.00 0.00 -3.87 -1.84 0.18 -1.26 -4.86 117.16 105.50 1fdm n TYR 21 Ca 0.00 0.00 -0.24 0.00 1.88 0.00 0.00 57.90 59.54 1fdm n TYR 21 Cb 0.00 -0.15 -0.00 0.00 -0.38 0.00 0.00 39.34 38.81 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 -1.15 -3.49 -2.34 -3.48 0.13 -1.26 -0.75 119.36 107.03 1fdm n ILE 22 Ca 0.12 -0.49 0.00 0.00 -1.10 0.00 0.00 62.75 61.28 1fdm n ILE 22 Cb 0.11 -3.01 0.00 0.00 -0.84 0.00 0.00 39.64 35.90 1fdm n ILE 22 CO 0.00 0.00 0.00 0.61 2.80 0.00 0.00 176.55 179.96 1fdm n GLY 23 N -1.84 -0.46 4.00 4.50 0.00 0.64 -0.16 105.19 111.87 1fdm n GLY 23 Ca -0.30 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.29 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 -2.31 -1.51 0.00 1.61 9.36 0.07 -4.60 117.16 119.78 1fdm n TYR 24 Ca 0.00 0.18 0.00 0.00 3.32 0.00 0.00 57.90 61.40 1fdm n TYR 24 Cb 0.46 -2.86 0.00 0.00 -0.63 0.00 0.00 39.34 36.30 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 -4.75 2.06 0.11 2.98 0.00 0.77 -4.44 120.51 117.24 1fdm n ALA 25 Ca -0.12 0.00 0.15 0.00 0.00 0.00 0.00 53.44 53.47 1fdm n ALA 25 Cb 0.58 0.38 0.40 0.00 0.00 0.00 0.00 19.45 20.80 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 -0.00 -1.85 0.61 115.95 114.71 1fdm h TRP 26 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.89 58.89 1fdm h TRP 26 Cb 0.75 0.00 0.00 0.00 -0.00 0.00 0.00 29.16 29.91 1fdm h TRP 26 CO 0.00 0.00 -0.27 0.00 -0.00 0.00 0.00 178.44 178.17 1fdm n ALA 27 N -1.95 1.08 0.12 0.11 0.00 -1.26 -4.10 120.51 114.51 1fdm n ALA 27 Ca 0.09 -0.33 -0.13 0.00 0.00 0.00 0.00 53.44 53.06 1fdm n ALA 27 Cb 1.03 0.03 -0.07 0.00 0.00 0.00 0.00 19.45 20.44 1fdm n ALA 27 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 177.50 179.48 1fdm h MET 28 N -0.27 -0.22 -0.38 0.00 4.05 -1.73 0.11 114.93 116.49 1fdm h MET 28 Ca 0.00 0.02 0.08 0.00 -0.28 0.00 0.00 59.70 59.52 1fdm h MET 28 Cb 0.27 0.05 -0.08 0.00 -0.80 0.00 0.00 31.60 31.04 1fdm h MET 28 CO 0.00 -0.15 -0.17 -0.24 0.23 0.00 0.00 176.91 176.59 1fdm h VAL 29 N -0.23 0.48 0.00 -5.77 3.04 -0.02 0.14 116.25 113.90 1fdm h VAL 29 Ca -0.02 0.00 -0.03 0.00 -1.01 0.00 0.00 66.70 65.64 1fdm h VAL 29 Cb 0.19 0.48 -0.00 0.00 -2.01 0.00 0.00 31.29 29.94 1fdm h VAL 29 CO 0.03 0.00 -0.16 0.58 -1.01 0.00 0.00 177.57 177.01 1fdm h VAL 30 N -0.10 0.51 0.67 1.51 2.07 -1.24 -2.89 116.25 116.79 1fdm h VAL 30 Ca 0.19 -0.79 -0.03 0.00 0.82 0.00 0.00 66.70 66.89 1fdm h VAL 30 Cb 0.38 1.54 0.01 0.00 -1.52 0.00 0.00 31.29 31.70 1fdm h VAL 30 CO -0.44 0.16 -0.32 0.58 0.02 0.00 0.00 177.57 177.56 1fdm h VAL 31 N 0.00 0.34 0.12 2.57 2.07 0.20 -1.64 116.25 119.90 1fdm h VAL 31 Ca -0.00 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.51 1fdm h VAL 31 Cb 0.52 0.34 0.00 0.00 -1.52 0.00 0.00 31.29 30.63 1fdm h VAL 31 CO 0.02 0.00 -0.06 -0.29 0.02 0.00 0.00 177.57 177.27 1fdm h ILE 32 N -0.90 0.94 -0.38 4.57 2.10 -1.42 0.13 117.51 122.55 1fdm h ILE 32 Ca -0.09 -0.22 0.11 0.00 1.08 0.00 0.00 64.86 65.74 1fdm h ILE 32 Cb 0.69 1.09 -0.02 0.00 -1.09 0.00 0.00 36.82 37.49 1fdm h ILE 32 CO 0.15 0.05 0.64 0.58 -1.08 0.00 0.00 178.15 178.49 1fdm h VAL 33 N -0.26 0.15 -0.08 2.19 2.07 -1.45 1.65 116.25 120.53 1fdm h VAL 33 Ca -0.02 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.47 1fdm h VAL 33 Cb 0.21 0.45 -0.00 0.00 -1.52 0.00 0.00 31.29 30.42 1fdm h VAL 33 CO 0.03 0.00 -0.10 1.23 0.02 0.00 0.00 177.57 178.75 1fdm h GLY 34 N 0.00 0.23 0.70 2.17 0.00 0.03 -0.73 103.07 105.47 1fdm h GLY 34 Ca 0.18 -0.24 -0.01 0.00 0.00 0.00 0.00 47.33 47.26 1fdm h GLY 34 CO -0.00 0.22 -0.06 0.00 0.00 0.00 0.00 176.54 176.69 1fdm h ALA 35 N 0.55 -0.17 0.53 3.60 0.00 0.27 0.32 119.26 124.35 1fdm h ALA 35 Ca 0.01 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.74 1fdm h ALA 35 Cb 0.63 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.49 1fdm h ALA 35 CO 0.02 -0.45 -0.27 1.15 0.00 0.00 0.00 179.25 179.71 1fdm h THR 36 N -0.47 0.00 0.00 0.00 2.02 -0.62 -1.41 112.91 112.43 1fdm h THR 36 Ca -0.02 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.16 1fdm h THR 36 Cb 0.38 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.79 1fdm h THR 36 CO 0.03 0.00 0.00 -0.38 0.37 0.00 0.00 175.52 175.54 1fdm n ILE 37 N -4.04 1.12 0.01 3.11 2.08 -0.28 -1.12 119.36 120.24 1fdm n ILE 37 Ca -0.09 0.60 -0.01 0.00 0.56 0.00 0.00 62.75 63.81 1fdm n ILE 37 Cb 0.29 -1.58 -0.00 0.00 -0.75 0.00 0.00 39.64 37.60 1fdm n ILE 37 CO 0.00 0.00 0.00 1.23 0.56 0.00 0.00 176.55 178.34 1fdm h GLY 38 N 0.50 -0.06 2.00 7.39 0.00 0.26 -2.18 103.07 110.98 1fdm h GLY 38 Ca 0.00 0.02 0.00 0.00 0.00 0.00 0.00 47.33 47.35 1fdm h GLY 38 CO 0.00 -0.02 0.00 -2.22 0.00 0.00 0.00 176.54 174.30 1fdm h ILE 39 N -0.20 0.00 0.00 2.60 1.08 -1.18 -1.85 117.51 117.96 1fdm h ILE 39 Ca -0.01 -0.02 0.00 0.00 -0.39 0.00 0.00 64.86 64.45 1fdm h ILE 39 Cb 0.04 0.56 0.00 0.00 -3.07 0.00 0.00 36.82 34.36 1fdm h ILE 39 CO 0.01 0.00 0.00 1.17 -0.69 0.00 0.00 178.15 178.64 1fdm n LYS 40 N -2.34 0.00 -0.16 2.37 4.81 -0.28 -0.58 118.16 121.98 1fdm n LYS 40 Ca -0.01 0.36 0.20 0.00 -0.87 0.00 0.00 58.31 57.98 1fdm n LYS 40 Cb 0.05 -1.00 0.58 0.00 0.02 0.00 0.00 35.03 34.67 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 0.26 0.01 3.14 3.38 -1.33 0.85 115.31 121.63 1fdm h LEU 41 Ca 0.00 0.02 -0.00 0.00 0.09 0.00 0.00 57.88 57.99 1fdm h LEU 41 Cb 0.00 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.72 1fdm h LEU 41 CO 0.00 0.12 -0.01 -0.26 0.09 0.00 0.00 178.44 178.38 1fdm h PHE 42 N 0.27 -0.02 -0.06 1.13 -1.00 -1.44 -3.33 116.94 112.49 1fdm h PHE 42 Ca 0.39 -0.00 -0.02 0.00 2.81 0.00 0.00 57.97 61.14 1fdm h PHE 42 Cb 1.12 0.01 -0.01 0.00 3.61 0.00 0.00 35.95 40.67 1fdm h PHE 42 CO -0.00 -0.01 0.03 1.63 -1.61 0.00 0.00 178.31 178.35 1fdm n LYS 43 N -2.22 1.16 0.04 1.51 5.02 0.25 -3.02 118.16 120.90 1fdm n LYS 43 Ca -0.00 -0.21 -0.02 0.00 -2.02 0.00 0.00 58.31 56.05 1fdm n LYS 43 Cb 0.01 -1.26 0.23 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 -0.52 0.00 0.00 177.40 176.66 1fdm h LYS 44 N 0.15 0.40 0.00 1.97 3.64 0.65 -3.43 116.57 119.95 1fdm h LYS 44 Ca 0.03 -0.15 0.00 0.00 -1.27 0.00 0.00 60.65 59.26 1fdm h LYS 44 Cb 0.94 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.73 1fdm h LYS 44 CO 0.06 0.63 0.00 1.97 -2.27 0.00 0.00 179.45 179.84 1fdm n PHE 45 N -4.13 0.00 -1.13 1.91 1.16 -1.26 -4.92 117.46 109.09 1fdm n PHE 45 Ca -0.01 0.00 -0.05 0.00 -1.87 0.00 0.00 57.45 55.53 1fdm n PHE 45 Cb 0.40 0.00 -0.02 0.00 -1.61 0.00 0.00 39.48 38.25 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 0.00 0.12 1.97 -1.04 -1.25 -4.90 114.28 109.17 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 -0.83 0.30 0.00 -1.82 0.00 0.00 70.33 67.98 1fdm n THR 46 CO 0.00 0.00 0.00 -1.28 -0.64 0.00 0.00 175.07 173.15 1fdm h SER 47 N 0.00 0.20 0.00 8.00 0.87 -1.81 -3.41 113.55 117.40 1fdm h SER 47 Ca -0.09 -0.06 0.00 0.00 -1.23 0.00 0.00 61.79 60.40 1fdm h SER 47 Cb 0.30 -0.05 0.00 0.00 -0.44 0.00 0.00 62.40 62.21 1fdm h SER 47 CO 0.14 0.50 -0.40 0.29 -0.53 0.00 0.00 176.83 176.83 1fdm n LYS 48 N -4.12 0.00 -2.67 2.24 4.76 -1.26 -5.04 118.16 112.07 1fdm n LYS 48 Ca -0.01 0.00 -0.05 0.00 -2.87 0.00 0.00 58.31 55.38 1fdm n LYS 48 Cb 0.39 -0.20 0.08 0.00 -1.84 0.00 0.00 35.03 33.46 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 -2.70 -3.24 0.51 7.82 0.00 -1.25 -5.11 120.51 116.55 1fdm n ALA 49 Ca 0.00 -0.44 0.04 0.00 0.00 0.00 0.00 53.44 53.04 1fdm n ALA 49 Cb 0.20 -3.01 0.24 0.00 0.00 0.00 0.00 19.45 16.89 1fdm n ALA 49 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37