#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fdm s GLU 2 N 0.00 -0.03 0.46 0.00 2.56 -1.26 -5.01 118.70 115.42 1fdm s GLU 2 Ca 0.00 0.41 0.11 0.00 0.00 0.00 0.00 54.97 55.49 1fdm s GLU 2 Cb 0.00 -0.53 1.04 0.00 2.00 0.00 0.00 34.13 36.64 1fdm s GLU 2 CO 0.00 -0.35 2.09 0.78 -0.56 0.00 0.00 175.26 177.22 1fdm h GLY 3 N 8.41 0.35 -7.18 -1.50 0.00 -2.08 -3.24 103.07 97.83 1fdm h GLY 3 Ca -0.13 -0.13 -0.73 0.00 0.00 0.00 0.00 47.33 46.34 1fdm h GLY 3 CO 0.16 0.12 1.83 1.34 0.00 0.00 0.00 176.54 179.99 1fdm n ASP 4 N -4.50 5.03 -1.54 0.19 2.03 -1.26 -4.90 116.55 111.60 1fdm n ASP 4 Ca 0.01 -3.00 0.06 0.00 0.52 0.00 0.00 54.79 52.38 1fdm n ASP 4 Cb 0.10 -1.57 -0.03 0.00 -0.72 0.00 0.00 41.12 38.90 1fdm n ASP 4 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 1fdm n ASP 5 N 5.44 -8.13 0.19 1.67 8.00 -1.22 -3.89 116.55 118.61 1fdm n ASP 5 Ca 0.41 1.72 0.13 0.00 0.71 0.00 0.00 54.79 57.75 1fdm n ASP 5 Cb 0.41 -5.06 0.31 0.00 -0.02 0.00 0.00 41.12 36.76 1fdm n ASP 5 CO 0.00 0.00 0.00 1.55 -0.39 0.00 0.00 177.20 178.36 1fdm h PRO 6 N -0.40 0.00 -1.58 -0.24 0.13 -1.91 -3.34 132.00 124.66 1fdm h PRO 6 Ca -0.07 0.00 -0.44 0.00 -0.87 0.00 0.00 66.00 64.62 1fdm h PRO 6 Cb 1.10 0.00 -0.40 0.00 0.13 0.00 0.00 31.00 31.83 1fdm h PRO 6 CO 0.03 0.00 -1.15 0.00 -0.23 0.00 0.00 178.00 176.64 1fdm n ALA 7 N -2.00 2.85 0.07 -0.56 0.00 -1.26 -4.90 120.51 114.70 1fdm n ALA 7 Ca 0.04 -3.39 0.20 0.00 0.00 0.00 0.00 53.44 50.29 1fdm n ALA 7 Cb 0.46 -0.91 0.59 0.00 0.00 0.00 0.00 19.45 19.59 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 2.98 0.00 0.62 0.00 2.10 -1.69 -0.89 116.57 119.69 1fdm h LYS 8 Ca 0.03 0.00 -0.03 0.00 -2.00 0.00 0.00 60.65 58.65 1fdm h LYS 8 Cb 1.03 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.36 1fdm h LYS 8 CO 0.53 0.00 -0.39 0.00 -2.00 0.00 0.00 179.45 177.59 1fdm h ALA 9 N 1.03 -1.19 -0.94 0.07 0.00 -1.92 -2.43 119.26 113.88 1fdm h ALA 9 Ca 0.23 -0.20 0.08 0.00 0.00 0.00 0.00 54.91 55.02 1fdm h ALA 9 Cb 1.64 0.52 -0.07 0.00 0.00 0.00 0.00 17.79 19.88 1fdm h ALA 9 CO -0.00 -1.16 0.61 0.00 0.00 0.00 0.00 179.25 178.70 1fdm h ALA 10 N -1.31 1.52 -0.84 0.00 0.00 -1.59 -0.72 119.26 116.32 1fdm h ALA 10 Ca -0.08 -0.01 0.21 0.00 0.00 0.00 0.00 54.91 55.03 1fdm h ALA 10 Cb 0.77 -0.25 -0.14 0.00 0.00 0.00 0.00 17.79 18.16 1fdm h ALA 10 CO 0.08 0.31 0.16 0.74 0.00 0.00 0.00 179.25 180.54 1fdm h PHE 11 N 1.03 0.22 -0.09 0.00 -1.00 -1.17 0.95 116.94 116.88 1fdm h PHE 11 Ca 0.42 0.05 -0.14 0.00 2.81 0.00 0.00 57.97 61.12 1fdm h PHE 11 Cb 0.29 0.04 -0.01 0.00 3.61 0.00 0.00 35.95 39.87 1fdm h PHE 11 CO -0.00 -0.22 -0.55 -0.44 -1.61 0.00 0.00 178.31 175.49 1fdm h ASP 12 N 0.18 0.30 0.00 2.17 5.19 -0.72 -2.27 116.42 121.28 1fdm h ASP 12 Ca 0.51 -0.16 0.00 0.00 -0.62 0.00 0.00 57.03 56.75 1fdm h ASP 12 Cb 0.98 -0.09 0.00 0.00 0.18 0.00 0.00 39.33 40.40 1fdm h ASP 12 CO -0.66 0.80 0.00 -1.20 -3.12 0.00 0.00 179.24 175.06 1fdm n SER 13 N -3.91 0.00 -0.41 6.45 7.64 0.26 -0.80 113.62 122.86 1fdm n SER 13 Ca -0.02 0.26 0.35 0.00 1.01 0.00 0.00 58.87 60.46 1fdm n SER 13 Cb 0.59 -0.26 0.62 0.00 -1.01 0.00 0.00 64.21 64.15 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 0.29 0.10 -3.43 8.10 0.20 1.13 115.31 121.70 1fdm h LEU 14 Ca 0.00 0.18 -0.26 0.00 0.11 0.00 0.00 57.88 57.90 1fdm h LEU 14 Cb 0.00 0.17 0.03 0.00 -0.44 0.00 0.00 40.66 40.42 1fdm h LEU 14 CO 0.00 -0.25 -1.09 1.56 -4.11 0.00 0.00 178.44 174.54 1fdm h GLN 15 N 0.08 0.56 0.00 0.17 1.08 -1.48 -3.31 115.11 112.21 1fdm h GLN 15 Ca 0.83 -0.74 0.00 0.00 -1.45 0.00 0.00 58.65 57.29 1fdm h GLN 15 Cb 2.43 0.24 0.00 0.00 -0.05 0.00 0.00 27.48 30.11 1fdm h GLN 15 CO -0.54 1.32 0.00 0.00 -0.95 0.00 0.00 178.83 178.67 1fdm n ALA 16 N -2.67 0.00 -2.62 3.87 0.00 0.38 0.12 120.51 119.60 1fdm n ALA 16 Ca -0.13 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 52.89 1fdm n ALA 16 Cb 0.92 0.08 -0.02 0.00 0.00 0.00 0.00 19.45 20.43 1fdm n ALA 16 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1fdm s SER 17 N -2.47 6.57 0.00 0.00 0.01 -0.72 -1.81 113.70 115.28 1fdm s SER 17 Ca 0.00 -1.69 0.00 0.00 1.31 0.00 0.00 55.95 55.57 1fdm s SER 17 Cb 0.00 -2.55 0.00 0.00 0.21 0.00 0.00 66.02 63.68 1fdm s SER 17 CO 0.00 -1.39 0.00 0.00 0.41 0.00 0.00 173.24 172.26 1fdm n ALA 18 N 8.45 0.75 0.04 1.44 0.00 -1.23 -4.73 120.51 125.23 1fdm n ALA 18 Ca 0.34 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.78 1fdm n ALA 18 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.95 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 -4.87 114.28 113.80 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 -2.94 0.00 0.00 1.09 0.00 -1.26 -3.58 120.64 113.94 1fdm n GLU 20 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 57.16 57.29 1fdm n GLU 20 Cb 0.00 0.00 0.78 0.00 0.00 0.00 0.00 31.44 32.22 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 -4.30 -1.84 0.18 -1.26 -4.86 117.16 105.09 1fdm n TYR 21 Ca 0.00 0.00 -0.32 0.00 1.88 0.00 0.00 57.90 59.46 1fdm n TYR 21 Cb 0.00 0.00 -0.09 0.00 -0.38 0.00 0.00 39.34 38.87 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 -0.92 -1.15 0.00 -3.48 3.06 -1.24 -3.93 119.36 111.70 1fdm n ILE 22 Ca 0.20 -0.43 0.00 0.00 -2.50 0.00 0.00 62.75 60.01 1fdm n ILE 22 Cb 0.09 -1.16 0.00 0.00 0.54 0.00 0.00 39.64 39.11 1fdm n ILE 22 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 1fdm n GLY 23 N -2.32 0.47 0.00 4.50 0.00 0.33 -2.59 105.19 105.58 1fdm n GLY 23 Ca -0.27 0.25 0.00 0.00 0.00 0.00 0.00 46.02 46.00 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 0.00 0.00 -0.03 1.61 9.36 -1.24 -4.93 117.16 121.93 1fdm n TYR 24 Ca 0.00 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.22 1fdm n TYR 24 Cb 0.00 0.00 -0.10 0.00 -0.63 0.00 0.00 39.34 38.61 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 0.00 2.10 -0.56 2.98 0.00 -1.07 -4.11 120.51 119.86 1fdm n ALA 25 Ca 0.00 -0.53 0.42 0.00 0.00 0.00 0.00 53.44 53.33 1fdm n ALA 25 Cb 0.00 -0.22 0.65 0.00 0.00 0.00 0.00 19.45 19.88 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 -2.18 0.03 0.01 0.00 2.14 -1.26 -1.27 117.44 114.91 1fdm n TRP 26 Ca -0.10 0.03 0.00 0.00 2.07 0.00 0.00 57.50 59.49 1fdm n TRP 26 Cb 0.60 -0.42 0.00 0.00 -0.81 0.00 0.00 31.31 30.67 1fdm n TRP 26 CO 0.00 0.00 0.00 0.00 2.07 0.00 0.00 177.69 179.76 1fdm n ALA 27 N -2.73 3.00 -0.32 -1.67 0.00 -1.26 -4.77 120.51 112.76 1fdm n ALA 27 Ca 0.35 0.00 0.35 0.00 0.00 0.00 0.00 53.44 54.15 1fdm n ALA 27 Cb 1.60 0.02 0.64 0.00 0.00 0.00 0.00 19.45 21.70 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 -0.12 0.00 2.86 -1.71 0.15 114.93 116.11 1fdm h MET 28 Ca 0.00 0.00 0.02 0.00 -2.06 0.00 0.00 59.70 57.66 1fdm h MET 28 Cb 0.00 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.64 1fdm h MET 28 CO 0.00 0.00 0.01 -0.24 1.06 0.00 0.00 176.91 177.74 1fdm h VAL 29 N 0.00 0.93 0.00 -2.22 3.04 -1.35 -1.42 116.25 115.23 1fdm h VAL 29 Ca 0.58 -0.02 -0.10 0.00 -1.01 0.00 0.00 66.70 66.15 1fdm h VAL 29 Cb 2.79 0.87 -0.01 0.00 -2.01 0.00 0.00 31.29 32.92 1fdm h VAL 29 CO -0.01 0.01 -0.48 0.58 -1.01 0.00 0.00 177.57 176.66 1fdm h VAL 30 N 0.06 0.90 0.08 1.51 2.07 -0.88 -2.24 116.25 117.75 1fdm h VAL 30 Ca 0.06 -2.04 -0.00 0.00 0.82 0.00 0.00 66.70 65.53 1fdm h VAL 30 Cb 0.06 2.28 0.00 0.00 -1.52 0.00 0.00 31.29 32.10 1fdm h VAL 30 CO -0.08 0.47 -0.04 0.58 0.02 0.00 0.00 177.57 178.52 1fdm h VAL 31 N 0.00 0.00 0.47 2.57 2.07 -0.86 -0.89 116.25 119.60 1fdm h VAL 31 Ca -0.00 -0.02 -0.02 0.00 0.82 0.00 0.00 66.70 67.48 1fdm h VAL 31 Cb 1.24 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 31.01 1fdm h VAL 31 CO 0.06 0.00 -0.23 -0.29 0.02 0.00 0.00 177.57 177.14 1fdm h ILE 32 N -0.12 0.52 -0.45 4.57 2.10 -1.41 -0.62 117.51 122.11 1fdm h ILE 32 Ca -0.01 -0.19 0.13 0.00 1.08 0.00 0.00 64.86 65.87 1fdm h ILE 32 Cb 0.08 0.61 -0.02 0.00 -1.09 0.00 0.00 36.82 36.40 1fdm h ILE 32 CO 0.02 0.03 0.69 0.58 -1.08 0.00 0.00 178.15 178.39 1fdm h VAL 33 N -0.74 0.15 -0.01 2.19 2.07 -1.52 1.47 116.25 119.86 1fdm h VAL 33 Ca -0.06 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.45 1fdm h VAL 33 Cb 0.54 0.41 -0.00 0.00 -1.52 0.00 0.00 31.29 30.71 1fdm h VAL 33 CO 0.11 0.00 -0.00 1.23 0.02 0.00 0.00 177.57 178.92 1fdm h GLY 34 N 0.00 0.02 0.54 2.17 0.00 0.37 -0.04 103.07 106.12 1fdm h GLY 34 Ca 0.21 -0.01 -0.00 0.00 0.00 0.00 0.00 47.33 47.53 1fdm h GLY 34 CO -0.00 0.01 -0.03 0.00 0.00 0.00 0.00 176.54 176.52 1fdm h ALA 35 N 0.64 -0.10 0.33 3.60 0.00 0.22 0.31 119.26 124.27 1fdm h ALA 35 Ca 0.00 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.68 1fdm h ALA 35 Cb 0.37 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.19 1fdm h ALA 35 CO 0.00 -0.32 -0.23 1.15 0.00 0.00 0.00 179.25 179.85 1fdm h THR 36 N -0.56 0.00 0.00 0.00 2.02 -0.52 -0.52 112.91 113.34 1fdm h THR 36 Ca -0.01 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.17 1fdm h THR 36 Cb 0.47 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.88 1fdm h THR 36 CO 0.02 0.00 0.00 0.40 0.37 0.00 0.00 175.52 176.31 1fdm h ILE 37 N -0.53 0.00 0.00 3.11 1.08 -1.12 0.14 117.51 120.20 1fdm h ILE 37 Ca -0.04 -0.09 0.00 0.00 -0.39 0.00 0.00 64.86 64.34 1fdm h ILE 37 Cb 0.43 0.70 0.00 0.00 -3.07 0.00 0.00 36.82 34.88 1fdm h ILE 37 CO 0.03 0.00 0.00 0.61 -0.69 0.00 0.00 178.15 178.10 1fdm n GLY 38 N -0.84 0.09 0.15 5.37 0.00 0.11 -1.97 105.19 108.11 1fdm n GLY 38 Ca -0.00 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.12 1fdm n GLY 38 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1fdm n ILE 39 N -1.09 1.06 0.00 -0.61 3.06 -0.29 -1.52 119.36 119.98 1fdm n ILE 39 Ca 0.00 0.69 0.00 0.00 -2.50 0.00 0.00 62.75 60.94 1fdm n ILE 39 Cb 0.00 -1.68 0.00 0.00 0.54 0.00 0.00 39.64 38.50 1fdm n ILE 39 CO 0.00 0.00 0.00 1.17 -2.50 0.00 0.00 176.55 175.22 1fdm n LYS 40 N -2.23 0.00 -0.16 9.51 3.00 0.49 -1.04 118.16 127.73 1fdm n LYS 40 Ca -0.01 0.15 0.27 0.00 -0.00 0.00 0.00 58.31 58.72 1fdm n LYS 40 Cb 0.05 -0.80 0.70 0.00 0.00 0.00 0.00 35.03 34.98 1fdm n LYS 40 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.40 177.33 1fdm h LEU 41 N 0.00 0.03 0.05 3.14 3.38 -1.36 1.11 115.31 121.67 1fdm h LEU 41 Ca 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 1fdm h LEU 41 Cb 0.00 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1fdm h LEU 41 CO 0.00 0.01 -0.03 -0.26 0.09 0.00 0.00 178.44 178.26 1fdm h PHE 42 N 0.03 -0.07 -0.02 1.13 -1.00 -1.37 -3.26 116.94 112.39 1fdm h PHE 42 Ca 0.41 -0.00 0.00 0.00 2.81 0.00 0.00 57.97 61.19 1fdm h PHE 42 Cb 1.58 0.02 0.00 0.00 3.61 0.00 0.00 35.95 41.16 1fdm h PHE 42 CO -0.00 -0.04 0.00 1.63 -1.61 0.00 0.00 178.31 178.29 1fdm n LYS 43 N -2.52 1.08 0.01 1.51 4.76 -0.21 -2.66 118.16 120.13 1fdm n LYS 43 Ca -0.01 -0.09 -0.12 0.00 -2.87 0.00 0.00 58.31 55.22 1fdm n LYS 43 Cb 0.03 -1.22 -0.00 0.00 -1.84 0.00 0.00 35.03 32.00 1fdm n LYS 43 CO 0.00 0.00 0.00 -0.22 -1.37 0.00 0.00 177.40 175.81 1fdm h LYS 44 N 0.13 0.59 0.00 1.97 3.64 0.12 -3.42 116.57 119.60 1fdm h LYS 44 Ca 0.00 -0.45 -0.03 0.00 -1.27 0.00 0.00 60.65 58.90 1fdm h LYS 44 Cb 0.24 0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 32.11 1fdm h LYS 44 CO 0.01 1.07 -0.06 1.19 -2.27 0.00 0.00 179.45 179.38 1fdm n PHE 45 N -3.90 -0.11 -1.04 1.91 3.72 -1.25 -4.87 117.46 111.92 1fdm n PHE 45 Ca -0.05 -0.18 -0.01 0.00 -0.05 0.00 0.00 57.45 57.16 1fdm n PHE 45 Cb 0.69 0.42 -0.01 0.00 -0.94 0.00 0.00 39.48 39.65 1fdm n PHE 45 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 176.76 179.12 1fdm n THR 46 N -0.09 0.00 0.00 4.37 -1.04 -1.09 -1.76 114.28 114.67 1fdm n THR 46 Ca -0.06 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.95 1fdm n THR 46 Cb 0.41 -0.39 0.00 0.00 -1.82 0.00 0.00 70.33 68.53 1fdm n THR 46 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 1fdm n SER 47 N 0.53 0.00 0.00 8.00 7.64 -1.22 -4.86 113.62 123.72 1fdm n SER 47 Ca -0.01 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.87 1fdm n SER 47 Cb 0.09 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.29 1fdm n SER 47 CO 0.00 0.00 0.00 2.29 -3.01 0.00 0.00 175.04 174.32 1fdm n LYS 48 N 0.00 0.00 -0.65 1.43 2.85 -1.26 -4.39 118.16 116.14 1fdm n LYS 48 Ca 0.00 0.00 -0.03 0.00 -1.05 0.00 0.00 58.31 57.23 1fdm n LYS 48 Cb 0.00 -0.93 -0.03 0.00 -0.65 0.00 0.00 35.03 33.42 1fdm n LYS 48 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1fdm n ALA 49 N -2.40 1.43 1.88 0.58 0.00 -1.26 -4.66 120.51 116.08 1fdm n ALA 49 Ca 0.00 -0.29 0.16 0.00 0.00 0.00 0.00 53.44 53.31 1fdm n ALA 49 Cb 0.44 -0.21 0.85 0.00 0.00 0.00 0.00 19.45 20.53 1fdm n ALA 49 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93