#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1swi h MET 2 N 0.00 0.00 -0.20 -0.14 2.86 -2.03 -3.26 114.93 112.15 1swi h MET 2 Ca 0.00 0.00 0.03 0.00 -2.06 0.00 0.00 59.70 57.67 1swi h MET 2 Cb 0.00 0.00 -0.05 0.00 0.06 0.00 0.00 31.60 31.61 1swi h MET 2 CO 0.00 0.31 -0.36 -0.22 1.06 0.00 0.00 176.91 177.69 1swi h LYS 3 N 0.00 -0.30 0.07 1.72 1.63 -2.05 -0.49 116.57 117.15 1swi h LYS 3 Ca -0.00 0.02 0.01 0.00 -0.85 0.00 0.00 60.65 59.83 1swi h LYS 3 Cb 0.84 0.07 -0.04 0.00 -0.60 0.00 0.00 32.23 32.50 1swi h LYS 3 CO 0.04 -0.20 -0.42 1.96 -3.45 0.00 0.00 179.45 177.39 1swi h GLN 4 N -0.31 -0.55 -0.52 1.90 4.20 -2.00 -2.39 115.11 115.45 1swi h GLN 4 Ca 0.04 0.04 0.07 0.00 0.06 0.00 0.00 58.65 58.86 1swi h GLN 4 Cb 0.41 0.13 -0.06 0.00 0.30 0.00 0.00 27.48 28.26 1swi h GLN 4 CO -0.35 -0.37 0.19 1.25 -0.67 0.00 0.00 178.83 178.88 1swi h LEU 5 N -0.57 0.19 0.00 1.46 5.85 -1.57 -0.29 115.31 120.38 1swi h LEU 5 Ca -0.00 0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.78 1swi h LEU 5 Cb 0.59 0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.66 1swi h LEU 5 CO -0.24 0.13 0.00 -0.62 -0.34 0.00 0.00 178.44 177.38 1swi n GLU 6 N -5.00 0.91 -0.03 1.25 4.71 -0.21 -2.08 120.64 120.20 1swi n GLU 6 Ca 0.06 0.00 -0.02 0.00 -0.01 0.00 0.00 57.16 57.19 1swi n GLU 6 Cb 0.21 -1.01 -0.06 0.00 -1.01 0.00 0.00 31.44 29.58 1swi n GLU 6 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 1swi n ASP 7 N -0.51 3.27 0.05 1.62 8.00 -0.22 -4.41 116.55 124.36 1swi n ASP 7 Ca 0.00 0.00 -0.03 0.00 0.71 0.00 0.00 54.79 55.47 1swi n ASP 7 Cb 0.00 0.85 -0.08 0.00 -0.02 0.00 0.00 41.12 41.87 1swi n ASP 7 CO 0.00 0.00 0.00 0.11 -0.39 0.00 0.00 177.20 176.92 1swi h LYS 8 N 0.00 0.00 0.00 -1.24 6.56 -1.11 -0.48 116.57 120.30 1swi h LYS 8 Ca -0.14 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.45 1swi h LYS 8 Cb 1.14 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.80 1swi h LYS 8 CO 0.01 0.57 0.00 0.28 -2.06 0.00 0.00 179.45 178.25 1swi n VAL 9 N -3.13 0.00 -0.09 0.50 0.31 -0.88 -1.59 118.33 113.45 1swi n VAL 9 Ca -0.06 0.00 -0.18 0.00 -0.01 0.00 0.00 64.34 64.09 1swi n VAL 9 Cb 0.89 -0.38 -0.06 0.00 -0.91 0.00 0.00 33.84 33.39 1swi n VAL 9 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 1swi n GLU 10 N -0.79 0.46 -0.38 5.55 2.13 -0.76 -3.51 120.64 123.34 1swi n GLU 10 Ca 0.11 0.19 0.30 0.00 0.66 0.00 0.00 57.16 58.43 1swi n GLU 10 Cb 0.05 -1.28 0.59 0.00 0.27 0.00 0.00 31.44 31.07 1swi n GLU 10 CO 0.00 0.00 0.00 1.49 -0.41 0.00 0.00 177.13 178.21 1swi h GLU 11 N -0.81 0.22 0.00 5.31 4.81 -0.93 0.73 114.58 123.92 1swi h GLU 11 Ca -0.36 -0.01 -0.25 0.00 -0.13 0.00 0.00 59.36 58.60 1swi h GLU 11 Cb 1.25 -0.05 -0.04 0.00 0.63 0.00 0.00 28.75 30.54 1swi h GLU 11 CO -0.22 0.14 -1.46 -0.07 -0.73 0.00 0.00 179.01 176.68 1swi h LEU 12 N 0.22 0.00 -0.43 1.64 3.38 -1.51 -3.17 115.31 115.43 1swi h LEU 12 Ca 0.71 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 58.52 1swi h LEU 12 Cb 2.07 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.81 1swi h LEU 12 CO -0.36 0.92 -0.43 -0.07 0.09 0.00 0.00 178.44 178.59 1swi h LEU 13 N 0.00 0.91 0.35 1.67 3.38 -0.66 -2.16 115.31 118.80 1swi h LEU 13 Ca -0.19 -0.43 -0.01 0.00 0.09 0.00 0.00 57.88 57.33 1swi h LEU 13 Cb 1.87 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 42.35 1swi h LEU 13 CO 0.08 1.21 -0.33 0.77 0.09 0.00 0.00 178.44 180.26 1swi h SER 14 N 0.68 -0.90 0.00 -0.43 4.64 0.21 -3.03 113.55 114.72 1swi h SER 14 Ca 0.05 0.07 0.00 0.00 -0.47 0.00 0.00 61.79 61.44 1swi h SER 14 Cb 1.01 0.29 0.00 0.00 -0.31 0.00 0.00 62.40 63.39 1swi h SER 14 CO 0.10 -0.44 0.26 0.11 -0.87 0.00 0.00 176.83 175.99 1swi h LYS 15 N -0.67 0.00 0.00 4.77 1.57 -1.52 0.21 116.57 120.93 1swi h LYS 15 Ca -0.04 0.00 -0.16 0.00 -1.87 0.00 0.00 60.65 58.57 1swi h LYS 15 Cb 0.58 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.86 1swi h LYS 15 CO -0.03 0.00 -1.04 0.00 -0.57 0.00 0.00 179.45 177.81 1swi h ALA 16 N 1.40 0.62 0.01 3.86 0.00 -1.30 -3.18 119.26 120.68 1swi h ALA 16 Ca 0.00 -0.77 -0.00 0.00 0.00 0.00 0.00 54.91 54.14 1swi h ALA 16 Cb 0.52 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.41 1swi h ALA 16 CO 0.00 0.93 -0.01 -0.92 0.00 0.00 0.00 179.25 179.25 1swi h TYR 17 N 0.00 -0.02 0.00 0.00 3.20 -0.48 -1.68 116.97 117.98 1swi h TYR 17 Ca -0.09 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.78 1swi h TYR 17 Cb 1.58 0.01 0.00 0.00 1.54 0.00 0.00 36.73 39.86 1swi h TYR 17 CO 0.00 -0.01 0.00 1.58 -1.64 0.00 0.00 178.16 178.09 1swi n HIS 18 N -2.82 0.00 -0.06 -3.82 -0.00 -1.01 -0.46 115.22 107.05 1swi n HIS 18 Ca -0.00 0.00 -0.11 0.00 0.46 0.00 0.00 57.72 58.07 1swi n HIS 18 Cb 0.01 -0.23 -0.05 0.00 -0.12 0.00 0.00 29.99 29.60 1swi n HIS 18 CO 0.00 0.00 0.00 -0.07 0.46 0.00 0.00 176.34 176.73 1swi h LEU 19 N 0.00 -1.29 -0.81 0.27 3.38 -1.74 0.82 115.31 115.94 1swi h LEU 19 Ca 0.00 0.19 0.20 0.00 0.09 0.00 0.00 57.88 58.36 1swi h LEU 19 Cb 0.00 0.55 -0.14 0.00 0.09 0.00 0.00 40.66 41.16 1swi h LEU 19 CO 0.00 -0.39 0.08 -0.33 0.09 0.00 0.00 178.44 177.89 1swi h GLU 20 N -0.40 0.13 0.91 1.13 5.08 -0.12 -0.12 114.58 121.19 1swi h GLU 20 Ca 0.11 -0.01 -0.04 0.00 -1.00 0.00 0.00 59.36 58.42 1swi h GLU 20 Cb 0.59 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.82 1swi h GLU 20 CO -0.47 0.09 -0.48 -0.91 -1.00 0.00 0.00 179.01 176.24 1swi h ASN 21 N 0.13 -1.16 -0.30 1.42 2.35 0.25 -2.44 115.58 115.84 1swi h ASN 21 Ca 0.47 0.05 0.07 0.00 -0.55 0.00 0.00 56.30 56.34 1swi h ASN 21 Cb 0.88 0.31 -0.08 0.00 0.05 0.00 0.00 38.32 39.49 1swi h ASN 21 CO -0.68 -0.78 -0.28 -0.08 -1.65 0.00 0.00 177.43 173.95 1swi h GLU 22 N -1.28 -0.25 -0.40 0.81 4.57 0.12 -2.64 114.58 115.51 1swi h GLU 22 Ca -0.12 0.02 0.08 0.00 -1.18 0.00 0.00 59.36 58.15 1swi h GLU 22 Cb 1.00 0.06 -0.08 0.00 -0.16 0.00 0.00 28.75 29.56 1swi h GLU 22 CO 0.18 -0.17 -0.14 0.28 -1.18 0.00 0.00 179.01 177.98 1swi h VAL 23 N -0.26 0.53 -0.95 0.32 2.07 -1.06 -0.72 116.25 116.19 1swi h VAL 23 Ca 0.15 0.00 0.14 0.00 0.82 0.00 0.00 66.70 67.81 1swi h VAL 23 Cb 0.50 0.53 -0.09 0.00 -1.52 0.00 0.00 31.29 30.71 1swi h VAL 23 CO -0.45 0.00 0.56 0.00 0.02 0.00 0.00 177.57 177.71 1swi h ALA 24 N 1.30 1.46 0.16 1.67 0.00 -1.18 0.22 119.26 122.89 1swi h ALA 24 Ca 0.19 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.15 1swi h ALA 24 Cb 0.35 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1swi h ALA 24 CO -0.44 0.07 -0.09 -0.09 0.00 0.00 0.00 179.25 178.70 1swi h ARG 25 N 0.82 -0.23 -0.96 0.00 2.43 -0.79 0.31 114.38 115.97 1swi h ARG 25 Ca 0.50 0.02 0.21 0.00 -0.81 0.00 0.00 59.98 59.89 1swi h ARG 25 Cb 0.62 0.05 -0.18 0.00 -0.42 0.00 0.00 29.97 30.04 1swi h ARG 25 CO -0.32 -0.15 -0.18 1.28 -1.51 0.00 0.00 179.97 179.08 1swi n LEU 26 N -2.74 -0.30 0.01 3.80 4.77 -0.94 0.09 117.00 121.69 1swi n LEU 26 Ca -0.03 1.64 -0.12 0.00 -0.03 0.00 0.00 56.01 57.47 1swi n LEU 26 Cb 0.10 -0.52 -0.07 0.00 -2.33 0.00 0.00 43.42 40.60 1swi n LEU 26 CO 0.07 -1.59 0.84 0.11 -1.33 0.00 0.00 177.39 175.49 1swi h LYS 27 N 0.00 0.08 -0.83 3.23 1.57 -0.39 -2.50 116.57 117.72 1swi h LYS 27 Ca 0.48 -0.01 0.11 0.00 -1.87 0.00 0.00 60.65 59.36 1swi h LYS 27 Cb 0.80 -0.01 -0.08 0.00 0.08 0.00 0.00 32.23 33.02 1swi h LYS 27 CO -0.97 0.15 0.46 0.87 -0.57 0.00 0.00 179.45 179.39 1swi h LYS 28 N -0.01 0.73 -0.97 3.15 1.57 0.19 -2.34 116.57 118.89 1swi h LYS 28 Ca 0.02 -0.04 -0.04 0.00 -1.87 0.00 0.00 60.65 58.72 1swi h LYS 28 Cb 0.09 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.22 1swi h LYS 28 CO -0.00 0.48 0.05 1.28 -0.57 0.00 0.00 179.45 180.69 1swi n LEU 29 N -4.77 2.57 0.00 2.94 4.77 -0.07 -2.76 117.00 119.68 1swi n LEU 29 Ca 0.14 -1.31 0.00 0.00 -0.03 0.00 0.00 56.01 54.82 1swi n LEU 29 Cb 0.31 -0.54 0.00 0.00 -2.33 0.00 0.00 43.42 40.86 1swi n LEU 29 CO 0.26 0.43 0.04 0.52 -1.33 0.00 0.00 177.39 177.31 1swi n VAL 30 N 0.17 0.00 -0.14 4.08 0.31 -1.04 -4.98 118.33 116.72 1swi n VAL 30 Ca 0.06 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.39 1swi n VAL 30 Cb 0.53 0.57 0.00 0.00 -0.91 0.00 0.00 33.84 34.03 1swi n VAL 30 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12