#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1du6 s SER 2 N 0.00 6.94 0.01 4.04 0.01 -1.26 -5.01 113.70 118.43 1du6 s SER 2 Ca 0.00 1.24 -0.01 0.00 1.31 0.00 0.00 55.95 58.49 1du6 s SER 2 Cb 0.00 -2.35 -0.00 0.00 0.21 0.00 0.00 66.02 63.88 1du6 s SER 2 CO 0.00 0.09 -0.01 0.61 0.41 0.00 0.00 173.24 174.33 1du6 n GLY 3 N 0.84 -0.05 2.92 3.44 0.00 -1.26 -5.04 105.19 106.03 1du6 n GLY 3 Ca -0.04 -0.01 -0.03 0.00 0.00 0.00 0.00 46.02 45.94 1du6 n GLY 3 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1du6 s HIS 4 N -1.22 -1.61 -0.22 1.61 5.04 -1.26 -5.13 115.29 112.51 1du6 s HIS 4 Ca -0.01 -0.30 -0.07 0.00 -1.54 0.00 0.00 55.06 53.14 1du6 s HIS 4 Cb 0.00 0.29 0.10 0.00 0.04 0.00 0.00 32.58 33.02 1du6 s HIS 4 CO 0.02 -1.23 0.47 -1.50 -2.34 0.00 0.00 174.74 170.15 1du6 s ILE 5 N 1.23 -0.73 -0.04 0.89 2.07 -1.26 -4.97 121.20 118.38 1du6 s ILE 5 Ca 0.25 0.12 0.06 0.00 -1.41 0.00 0.00 60.65 59.67 1du6 s ILE 5 Cb -0.02 -0.75 0.13 0.00 0.13 0.00 0.00 42.46 41.95 1du6 s ILE 5 CO -0.06 0.04 1.09 -0.62 -1.91 0.00 0.00 174.94 173.48 1du6 n GLU 6 N 5.40 0.18 -0.50 3.50 -0.58 -1.26 -4.97 120.64 122.41 1du6 n GLU 6 Ca -0.09 -1.25 0.00 0.00 -0.42 0.00 0.00 57.16 55.40 1du6 n GLU 6 Cb 0.49 0.36 0.00 0.00 -0.57 0.00 0.00 31.44 31.72 1du6 n GLU 6 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1du6 n GLY 7 N -0.09 0.69 3.55 0.62 0.00 -1.26 -5.06 105.19 103.64 1du6 n GLY 7 Ca -0.20 -0.51 -0.14 0.00 0.00 0.00 0.00 46.02 45.17 1du6 n GLY 7 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1du6 s ARG 8 N -0.97 0.75 0.32 1.61 0.52 -1.26 -5.04 118.95 114.89 1du6 s ARG 8 Ca 0.00 0.90 0.24 0.00 -0.52 0.00 0.00 55.73 56.35 1du6 s ARG 8 Cb 0.00 0.37 0.43 0.00 0.52 0.00 0.00 34.95 36.27 1du6 s ARG 8 CO 0.00 -0.09 1.56 1.25 0.02 0.00 0.00 175.30 178.04 1du6 h HIS 9 N 5.13 0.00 0.00 -0.53 2.76 -1.97 -3.44 115.15 117.10 1du6 h HIS 9 Ca -0.29 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 57.88 1du6 h HIS 9 Cb 1.17 0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.13 1du6 h HIS 9 CO 0.39 0.00 0.00 -0.12 -1.30 0.00 0.00 177.93 176.90 1du6 n MET 10 N -2.72 0.00 -3.23 5.26 1.56 -1.26 -4.93 117.12 111.80 1du6 n MET 10 Ca 0.04 0.00 -0.36 0.00 -0.27 0.00 0.00 57.70 57.11 1du6 n MET 10 Cb 0.50 0.00 -0.06 0.00 2.15 0.00 0.00 33.22 35.81 1du6 n MET 10 CO 0.00 0.00 0.00 0.54 -0.73 0.00 0.00 175.97 175.78 1du6 s ASN 11 N -3.13 6.98 0.00 6.12 4.22 -1.26 -5.04 114.94 122.82 1du6 s ASN 11 Ca 0.00 1.26 0.00 0.00 -2.14 0.00 0.00 52.86 51.98 1du6 s ASN 11 Cb 0.00 -2.36 0.00 0.00 1.28 0.00 0.00 41.25 40.17 1du6 s ASN 11 CO 0.00 0.11 0.23 0.29 -2.04 0.00 0.00 177.10 175.69 1du6 n LYS 12 N 0.96 0.00 0.12 3.55 5.02 -1.26 -4.32 118.16 122.23 1du6 n LYS 12 Ca -0.05 0.00 0.04 0.00 -2.02 0.00 0.00 58.31 56.28 1du6 n LYS 12 Cb 0.51 -0.68 0.01 0.00 -0.02 0.00 0.00 35.03 34.85 1du6 n LYS 12 CO 0.00 0.00 0.00 -0.56 -0.52 0.00 0.00 177.40 176.32 1du6 h GLN 13 N 0.00 0.00 -0.97 1.97 -0.00 -2.02 -3.35 115.11 110.74 1du6 h GLN 13 Ca 0.00 0.00 0.30 0.00 -0.00 0.00 0.00 58.65 58.95 1du6 h GLN 13 Cb 0.00 0.00 -0.15 0.00 -0.00 0.00 0.00 27.48 27.33 1du6 h GLN 13 CO 0.00 0.32 0.45 0.00 -0.00 0.00 0.00 178.83 179.61 1du6 h ALA 14 N 1.60 1.75 -0.92 0.06 0.00 -1.99 1.14 119.26 120.89 1du6 h ALA 14 Ca -0.05 0.21 0.25 0.00 0.00 0.00 0.00 54.91 55.32 1du6 h ALA 14 Cb 1.35 0.23 -0.05 0.00 0.00 0.00 0.00 17.79 19.32 1du6 h ALA 14 CO 0.04 -0.58 0.64 1.15 0.00 0.00 0.00 179.25 180.51 1du6 h THR 15 N 0.25 0.58 0.06 0.00 2.02 -1.75 1.42 112.91 115.49 1du6 h THR 15 Ca 0.69 -0.05 -0.24 0.00 0.77 0.00 0.00 66.41 67.58 1du6 h THR 15 Cb 1.55 0.42 -0.00 0.00 -1.74 0.00 0.00 68.15 68.37 1du6 h THR 15 CO -0.65 0.03 -1.08 -0.33 0.37 0.00 0.00 175.52 173.86 1du6 h GLU 16 N 0.15 0.23 -0.40 6.66 5.08 0.11 0.51 114.58 126.91 1du6 h GLU 16 Ca 0.46 -0.33 -0.07 0.00 -1.00 0.00 0.00 59.36 58.42 1du6 h GLU 16 Cb 1.56 0.11 -0.01 0.00 0.50 0.00 0.00 28.75 30.91 1du6 h GLU 16 CO -0.08 1.11 -0.03 0.82 -1.00 0.00 0.00 179.01 179.82 1du6 h ILE 17 N 0.09 1.27 -0.17 3.13 1.08 0.15 0.93 117.51 123.98 1du6 h ILE 17 Ca -0.09 -1.07 -0.16 0.00 -0.39 0.00 0.00 64.86 63.16 1du6 h ILE 17 Cb 1.77 1.15 0.00 0.00 -3.07 0.00 0.00 36.82 36.68 1du6 h ILE 17 CO 0.17 0.36 -0.51 -0.07 -0.69 0.00 0.00 178.15 177.41 1du6 h LEU 18 N 0.55 0.75 -0.49 1.44 3.38 0.14 0.24 115.31 121.33 1du6 h LEU 18 Ca 0.11 -0.59 -0.07 0.00 0.09 0.00 0.00 57.88 57.42 1du6 h LEU 18 Cb 0.52 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.04 1du6 h LEU 18 CO 0.03 1.21 0.03 0.78 0.09 0.00 0.00 178.44 180.57 1du6 h ASN 19 N 0.33 0.83 0.21 -0.43 4.21 0.17 1.32 115.58 122.23 1du6 h ASN 19 Ca -0.01 -0.29 -0.12 0.00 1.21 0.00 0.00 56.30 57.08 1du6 h ASN 19 Cb 1.13 -0.22 -0.01 0.00 -1.12 0.00 0.00 38.32 38.10 1du6 h ASN 19 CO 0.11 0.92 -0.45 -0.33 -1.29 0.00 0.00 177.43 176.39 1du6 h GLU 20 N 0.72 0.29 0.00 0.81 4.39 0.93 0.55 114.58 122.27 1du6 h GLU 20 Ca 0.14 -0.15 -0.22 0.00 0.34 0.00 0.00 59.36 59.48 1du6 h GLU 20 Cb 0.48 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.10 1du6 h GLU 20 CO 0.02 0.68 -1.04 -0.92 -1.16 0.00 0.00 179.01 176.60 1du6 h TYR 21 N 0.24 0.01 0.23 4.33 3.20 -0.04 -2.14 116.97 122.80 1du6 h TYR 21 Ca 0.02 -0.01 -0.34 0.00 3.14 0.00 0.00 58.73 61.54 1du6 h TYR 21 Cb 0.89 -0.00 0.03 0.00 1.54 0.00 0.00 36.73 39.18 1du6 h TYR 21 CO 0.02 1.01 -1.55 0.35 -1.64 0.00 0.00 178.16 176.35 1du6 h PHE 22 N 0.00 0.89 0.00 -3.82 3.57 0.19 -3.27 116.94 114.51 1du6 h PHE 22 Ca -0.03 -0.65 -0.00 0.00 3.53 0.00 0.00 57.97 60.82 1du6 h PHE 22 Cb 1.79 -0.04 0.00 0.00 2.79 0.00 0.00 35.95 40.49 1du6 h PHE 22 CO 0.00 1.58 -0.00 1.88 -2.23 0.00 0.00 178.31 179.54 1du6 h TYR 23 N 0.13 -0.00 -0.95 0.41 -1.99 0.00 -2.02 116.97 112.56 1du6 h TYR 23 Ca -0.28 -0.00 0.39 0.00 2.00 0.00 0.00 58.73 60.84 1du6 h TYR 23 Cb 2.15 0.00 -0.16 0.00 2.00 0.00 0.00 36.73 40.72 1du6 h TYR 23 CO 0.12 -0.00 0.53 0.45 -0.00 0.00 0.00 178.16 179.26 1du6 n SER 24 N -2.73 0.30 -1.93 3.88 2.88 -0.80 0.25 113.62 115.48 1du6 n SER 24 Ca -0.00 1.47 -0.23 0.00 -1.33 0.00 0.00 58.87 58.78 1du6 n SER 24 Cb 0.00 -0.72 0.08 0.00 -0.75 0.00 0.00 64.21 62.82 1du6 n SER 24 CO 0.00 0.00 0.00 1.41 -1.23 0.00 0.00 175.04 175.22 1du6 n HIS 25 N -4.98 2.53 0.25 0.66 8.25 -1.23 -4.71 115.22 115.99 1du6 n HIS 25 Ca 0.35 -2.33 0.10 0.00 -0.26 0.00 0.00 57.72 55.58 1du6 n HIS 25 Cb 1.20 -0.71 0.64 0.00 1.12 0.00 0.00 29.99 32.24 1du6 n HIS 25 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 1du6 h LEU 26 N 1.86 0.00 -2.55 2.41 5.85 0.42 -1.68 115.31 121.61 1du6 h LEU 26 Ca 0.41 0.00 0.01 0.00 0.84 0.00 0.00 57.88 59.14 1du6 h LEU 26 Cb 1.37 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.39 1du6 h LEU 26 CO 0.93 0.16 0.07 -1.28 -0.34 0.00 0.00 178.44 177.98 1du6 h SER 27 N 0.00 0.00 -1.95 1.25 0.87 -1.84 -3.25 113.55 108.63 1du6 h SER 27 Ca -0.00 0.00 -0.45 0.00 -1.23 0.00 0.00 61.79 60.11 1du6 h SER 27 Cb 0.40 0.00 -0.31 0.00 -0.44 0.00 0.00 62.40 62.04 1du6 h SER 27 CO 0.02 0.00 -0.82 0.21 -0.53 0.00 0.00 176.83 175.71 1du6 s ASN 28 N -5.64 0.58 -0.03 6.23 2.47 -0.64 -4.99 114.94 112.92 1du6 s ASN 28 Ca -0.05 -2.60 0.03 0.00 0.42 0.00 0.00 52.86 50.66 1du6 s ASN 28 Cb 0.14 0.29 0.12 0.00 -1.45 0.00 0.00 41.25 40.35 1du6 s ASN 28 CO 0.48 -0.14 0.81 -0.81 -3.72 0.00 0.00 177.10 173.73 1du6 n PRO 29 N 2.95 1.51 -3.15 0.43 -0.05 -1.19 -4.43 135.00 131.06 1du6 n PRO 29 Ca 0.25 -0.47 -0.36 0.00 -0.05 0.00 0.00 63.50 62.88 1du6 n PRO 29 Cb 0.50 -1.46 -0.03 0.00 -0.05 0.00 0.00 33.50 32.46 1du6 n PRO 29 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 175.50 176.11 1du6 n TYR 30 N 0.02 2.92 -2.02 0.54 4.02 -1.26 -5.02 117.16 116.36 1du6 n TYR 30 Ca 0.04 -3.29 -0.41 0.00 -0.01 0.00 0.00 57.90 54.23 1du6 n TYR 30 Cb 0.31 -0.93 -0.02 0.00 -0.02 0.00 0.00 39.34 38.68 1du6 n TYR 30 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 176.86 174.60 1du6 s PRO 31 N -2.78 4.27 1.13 -0.72 0.04 -1.26 -5.00 135.00 130.68 1du6 s PRO 31 Ca 0.36 2.29 -0.13 0.00 0.04 0.00 0.00 61.00 63.57 1du6 s PRO 31 Cb 0.11 -3.10 0.26 0.00 0.04 0.00 0.00 34.50 31.81 1du6 s PRO 31 CO 0.04 -0.40 1.04 -1.12 0.04 0.00 0.00 177.00 176.60 1du6 s SER 32 N 0.27 1.32 0.59 6.66 0.01 -1.26 -4.66 113.70 116.64 1du6 s SER 32 Ca 0.58 1.43 0.29 0.00 1.31 0.00 0.00 55.95 59.56 1du6 s SER 32 Cb -0.42 -2.19 1.59 0.00 0.21 0.00 0.00 66.02 65.22 1du6 s SER 32 CO 0.44 -3.98 2.01 -0.33 0.41 0.00 0.00 173.24 171.80 1du6 h GLU 33 N -2.47 0.00 0.31 12.44 5.08 -1.99 -2.18 114.58 125.77 1du6 h GLU 33 Ca -0.60 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 57.74 1du6 h GLU 33 Cb 1.33 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.59 1du6 h GLU 33 CO 0.52 0.00 -0.15 1.49 -1.00 0.00 0.00 179.01 179.87 1du6 h GLU 34 N 0.00 -0.40 -1.01 2.33 4.57 -1.97 0.14 114.58 118.24 1du6 h GLU 34 Ca 0.13 0.03 0.10 0.00 -1.18 0.00 0.00 59.36 58.44 1du6 h GLU 34 Cb 0.76 0.09 -0.08 0.00 -0.16 0.00 0.00 28.75 29.36 1du6 h GLU 34 CO -0.00 -0.08 0.64 0.00 -1.18 0.00 0.00 179.01 178.39 1du6 h ALA 35 N -0.63 1.48 0.32 2.92 0.00 -1.74 1.17 119.26 122.78 1du6 h ALA 35 Ca -0.04 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 1du6 h ALA 35 Cb 0.50 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1du6 h ALA 35 CO 0.07 0.30 -0.15 -0.22 0.00 0.00 0.00 179.25 179.25 1du6 h LYS 36 N 1.06 -0.42 -0.72 0.00 3.64 -1.48 -2.28 116.57 116.36 1du6 h LYS 36 Ca 0.48 0.03 0.18 0.00 -1.27 0.00 0.00 60.65 60.06 1du6 h LYS 36 Cb 0.38 0.09 -0.04 0.00 -0.41 0.00 0.00 32.23 32.26 1du6 h LYS 36 CO -0.24 -0.20 0.50 1.49 -2.27 0.00 0.00 179.45 178.74 1du6 h GLU 37 N -1.07 0.21 0.78 1.90 4.81 -0.51 0.72 114.58 121.42 1du6 h GLU 37 Ca -0.04 -0.01 -0.04 0.00 -0.13 0.00 0.00 59.36 59.13 1du6 h GLU 37 Cb 0.41 -0.05 0.01 0.00 0.63 0.00 0.00 28.75 29.75 1du6 h GLU 37 CO 0.07 0.14 -0.38 0.93 -0.73 0.00 0.00 179.01 179.04 1du6 h GLU 38 N 0.21 -1.01 -1.00 1.92 5.08 0.14 -2.66 114.58 117.27 1du6 h GLU 38 Ca 0.35 0.07 0.06 0.00 -1.00 0.00 0.00 59.36 58.84 1du6 h GLU 38 Cb 1.08 0.23 -0.07 0.00 0.50 0.00 0.00 28.75 30.50 1du6 h GLU 38 CO -0.07 -0.66 0.64 -0.07 -1.00 0.00 0.00 179.01 177.85 1du6 h LEU 39 N -1.22 1.04 -0.65 1.33 3.38 -0.75 -1.58 115.31 116.86 1du6 h LEU 39 Ca -0.11 0.01 0.14 0.00 0.09 0.00 0.00 57.88 58.01 1du6 h LEU 39 Cb 0.82 -0.22 -0.11 0.00 0.09 0.00 0.00 40.66 41.24 1du6 h LEU 39 CO 0.18 0.67 -0.01 0.00 0.09 0.00 0.00 178.44 179.36 1du6 h ALA 40 N 1.44 0.63 0.00 1.53 0.00 -0.78 0.74 119.26 122.82 1du6 h ALA 40 Ca 0.43 0.20 -0.13 0.00 0.00 0.00 0.00 54.91 55.41 1du6 h ALA 40 Cb 0.14 0.36 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 1du6 h ALA 40 CO -0.17 -0.40 -0.61 0.87 0.00 0.00 0.00 179.25 178.94 1du6 h LYS 41 N 0.10 0.00 -0.60 0.00 1.79 -1.03 -2.09 116.57 114.75 1du6 h LYS 41 Ca 0.34 0.00 0.11 0.00 -2.18 0.00 0.00 60.65 58.92 1du6 h LYS 41 Cb 0.56 0.00 -0.12 0.00 -1.58 0.00 0.00 32.23 31.09 1du6 h LYS 41 CO -0.57 0.61 -0.29 -0.22 -1.08 0.00 0.00 179.45 177.90 1du6 h LYS 42 N 0.00 -0.13 0.00 3.15 1.63 0.11 -1.75 116.57 119.58 1du6 h LYS 42 Ca -0.01 0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 1du6 h LYS 42 Cb 1.25 0.03 0.00 0.00 -0.60 0.00 0.00 32.23 32.91 1du6 h LYS 42 CO 0.08 -0.08 -1.29 0.00 -3.45 0.00 0.00 179.45 174.70 1du6 n GLY 44 N 1.21 0.70 0.00 0.00 0.00 -0.66 -5.07 105.19 101.37 1du6 n GLY 44 Ca -0.01 -0.53 0.00 0.00 0.00 0.00 0.00 46.02 45.48 1du6 n GLY 44 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1du6 n ILE 45 N -1.58 0.00 -3.65 -0.61 -0.00 -0.84 -5.02 119.36 107.65 1du6 n ILE 45 Ca 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 62.75 62.65 1du6 n ILE 45 Cb 0.46 0.00 -0.08 0.00 -0.00 0.00 0.00 39.64 40.02 1du6 n ILE 45 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.55 176.97 1du6 s THR 46 N 2.35 -0.00 0.39 7.28 -4.23 -1.26 -4.99 115.64 115.18 1du6 s THR 46 Ca 0.00 0.01 0.18 0.00 -1.18 0.00 0.00 61.69 60.71 1du6 s THR 46 Cb 0.00 -0.90 0.39 0.00 1.34 0.00 0.00 72.50 73.33 1du6 s THR 46 CO 0.00 0.01 1.76 0.58 -0.54 0.00 0.00 174.62 176.42 1du6 h VAL 47 N 4.76 0.50 -0.37 2.29 2.07 -1.93 1.36 116.25 124.93 1du6 h VAL 47 Ca -0.31 -0.13 0.09 0.00 0.82 0.00 0.00 66.70 67.17 1du6 h VAL 47 Cb 1.20 0.08 -0.02 0.00 -1.52 0.00 0.00 31.29 31.03 1du6 h VAL 47 CO 0.16 0.07 0.26 0.28 0.02 0.00 0.00 177.57 178.36 1du6 h SER 48 N 0.39 0.10 -1.00 0.57 0.02 -1.96 13.91 113.55 125.57 1du6 h SER 48 Ca 0.61 0.00 0.04 0.00 -0.84 0.00 0.00 61.79 61.60 1du6 h SER 48 Cb 1.55 -0.02 -0.06 0.00 0.14 0.00 0.00 62.40 64.01 1du6 h SER 48 CO -0.32 0.06 0.66 -0.61 -1.14 0.00 0.00 176.83 175.48 1du6 h GLN 49 N 0.11 1.23 0.00 3.45 5.75 0.14 0.67 115.11 126.46 1du6 h GLN 49 Ca 0.17 -0.07 -0.01 0.00 -0.15 0.00 0.00 58.65 58.59 1du6 h GLN 49 Cb 0.55 -0.28 -0.00 0.00 1.07 0.00 0.00 27.48 28.82 1du6 h GLN 49 CO -0.02 0.81 -0.39 0.28 -2.65 0.00 0.00 178.83 176.86 1du6 h VAL 50 N 1.26 0.05 -0.89 2.39 2.07 0.18 -2.98 116.25 118.33 1du6 h VAL 50 Ca 0.40 -1.05 0.17 0.00 0.82 0.00 0.00 66.70 67.04 1du6 h VAL 50 Cb 0.02 0.10 -0.16 0.00 -1.52 0.00 0.00 31.29 29.73 1du6 h VAL 50 CO -0.13 0.02 -0.24 -0.24 0.02 0.00 0.00 177.57 176.99 1du6 n SER 51 N -4.65 -0.36 -0.02 0.57 2.88 4.24 -1.27 113.62 114.99 1du6 n SER 51 Ca -0.06 1.53 -0.15 0.00 -1.33 0.00 0.00 58.87 58.85 1du6 n SER 51 Cb 0.21 -0.44 -0.12 0.00 -0.75 0.00 0.00 64.21 63.11 1du6 n SER 51 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1du6 h ASN 52 N 0.00 0.24 -0.89 -3.46 7.08 0.23 -3.17 115.58 115.60 1du6 h ASN 52 Ca 0.41 -0.80 0.24 0.00 -3.08 0.00 0.00 56.30 53.07 1du6 h ASN 52 Cb 0.63 -0.07 -0.15 0.00 -2.08 0.00 0.00 38.32 36.65 1du6 h ASN 52 CO -0.91 1.01 0.24 -0.25 -2.08 0.00 0.00 177.43 175.44 1du6 h TRP 53 N -0.51 0.35 -0.12 4.14 7.01 -1.02 0.38 115.95 126.19 1du6 h TRP 53 Ca -0.04 0.05 -0.11 0.00 2.11 0.00 0.00 58.89 60.91 1du6 h TRP 53 Cb 1.06 -0.01 0.00 0.00 -2.10 0.00 0.00 29.16 28.11 1du6 h TRP 53 CO 0.19 -0.23 -0.34 0.74 -2.79 0.00 0.00 178.44 176.00 1du6 h PHE 54 N 0.19 0.58 0.00 2.65 -1.00 -1.53 -1.12 116.94 116.71 1du6 h PHE 54 Ca 0.57 -0.23 0.00 0.00 2.81 0.00 0.00 57.97 61.12 1du6 h PHE 54 Cb 1.17 -0.10 0.00 0.00 3.61 0.00 0.00 35.95 40.63 1du6 h PHE 54 CO -0.27 0.96 0.00 0.41 -1.61 0.00 0.00 178.31 177.80 1du6 n GLY 55 N 0.54 -0.90 0.08 -1.45 0.00 -0.07 -2.52 105.19 100.87 1du6 n GLY 55 Ca -0.07 -0.06 -0.07 0.00 0.00 0.00 0.00 46.02 45.82 1du6 n GLY 55 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1du6 n ASN 56 N -1.41 1.79 0.18 1.61 5.15 0.11 -4.35 115.26 118.36 1du6 n ASN 56 Ca 0.05 0.41 0.17 0.00 -0.60 0.00 0.00 54.58 54.61 1du6 n ASN 56 Cb 0.15 -0.77 0.69 0.00 -0.53 0.00 0.00 39.78 39.32 1du6 n ASN 56 CO 0.00 0.00 0.00 0.50 1.40 0.00 0.00 177.26 179.16 1du6 h LYS 57 N -0.95 0.00 0.00 1.20 1.63 -1.24 1.17 116.57 118.38 1du6 h LYS 57 Ca 0.00 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 1du6 h LYS 57 Cb 0.80 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.43 1du6 h LYS 57 CO 0.00 0.00 0.00 -2.13 -3.45 0.00 0.00 179.45 173.87 1du6 n ARG 58 N -3.25 0.02 0.00 1.90 0.63 -1.05 -3.35 116.66 111.57 1du6 n ARG 58 Ca 0.04 0.33 0.00 0.00 -0.92 0.00 0.00 57.85 57.30 1du6 n ARG 58 Cb 0.63 -1.50 0.00 0.00 0.45 0.00 0.00 32.46 32.04 1du6 n ARG 58 CO 0.00 0.00 0.00 0.44 -2.51 0.00 0.00 177.63 175.56 1du6 n ILE 59 N -1.35 0.00 -2.73 5.15 -6.64 0.40 -4.83 119.36 109.36 1du6 n ILE 59 Ca 0.01 0.90 -0.07 0.00 -1.77 0.00 0.00 62.75 61.82 1du6 n ILE 59 Cb 0.02 -1.84 0.06 0.00 -1.44 0.00 0.00 39.64 36.44 1du6 n ILE 59 CO 0.00 0.00 0.00 0.54 -1.77 0.00 0.00 176.55 175.32 1du6 n ARG 60 N -0.45 0.67 0.00 6.28 3.00 -1.22 -5.08 116.66 119.85 1du6 n ARG 60 Ca 0.00 -1.54 0.00 0.00 -0.01 0.00 0.00 57.85 56.30 1du6 n ARG 60 Cb 0.00 -1.13 0.00 0.00 0.00 0.00 0.00 32.46 31.33 1du6 n ARG 60 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.63 180.11 1du6 n TYR 61 N 1.38 0.00 -2.70 -1.55 4.11 -1.21 -4.80 117.16 112.38 1du6 n TYR 61 Ca 0.07 0.00 -0.05 0.00 -0.00 0.00 0.00 57.90 57.91 1du6 n TYR 61 Cb 0.66 0.00 0.10 0.00 -0.00 0.00 0.00 39.34 40.10 1du6 n TYR 61 CO 0.00 0.00 0.00 0.36 -0.00 0.00 0.00 176.86 177.22 1du6 n LYS 62 N -0.43 1.28 -3.14 -3.48 0.00 -1.26 -5.05 118.16 106.08 1du6 n LYS 62 Ca 0.00 -2.04 0.03 0.00 -0.00 0.00 0.00 58.31 56.30 1du6 n LYS 62 Cb 0.00 -0.24 -0.00 0.00 -0.00 0.00 0.00 35.03 34.78 1du6 n LYS 62 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.40 177.61 1du6 s LYS 63 N -0.70 0.58 0.00 -1.58 2.47 -1.26 -5.28 119.74 113.97 1du6 s LYS 63 Ca 0.20 0.16 0.29 0.00 -1.56 0.00 0.00 55.97 55.05 1du6 s LYS 63 Cb 0.42 0.16 1.23 0.00 -1.46 0.00 0.00 37.83 38.17 1du6 s LYS 63 CO -0.08 -0.96 1.85 -1.71 0.16 0.00 0.00 175.35 174.62