#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1du2 s LEU 2 N 0.00 -0.00 0.01 3.17 1.43 -1.26 -5.14 118.68 116.88 1du2 s LEU 2 Ca 0.00 -0.67 -0.26 0.00 -1.03 0.00 0.00 54.13 52.17 1du2 s LEU 2 Cb 0.00 2.11 -0.04 0.00 0.03 0.00 0.00 46.19 48.29 1du2 s LEU 2 CO 0.00 -1.01 0.79 -0.54 0.23 0.00 0.00 176.35 175.82 1du2 s LYS 3 N -2.23 4.50 0.67 1.70 -0.14 -1.26 -5.02 119.74 117.96 1du2 s LYS 3 Ca 0.21 1.09 -0.17 0.00 -1.36 0.00 0.00 55.97 55.74 1du2 s LYS 3 Cb -0.03 -3.41 0.00 0.00 -1.68 0.00 0.00 37.83 32.72 1du2 s LYS 3 CO 0.05 0.15 1.27 0.09 -0.76 0.00 0.00 175.35 176.16 1du2 n ASN 4 N 3.30 1.89 -4.62 2.83 4.13 -1.26 -4.90 115.26 116.62 1du2 n ASN 4 Ca -0.00 0.80 -0.43 0.00 1.68 0.00 0.00 54.58 56.62 1du2 n ASN 4 Cb 0.51 -1.54 -0.02 0.00 -1.54 0.00 0.00 39.78 37.18 1du2 n ASN 4 CO 0.00 0.00 0.00 -0.22 0.28 0.00 0.00 177.26 177.32 1du2 s LEU 5 N -4.44 3.75 -0.31 3.41 2.96 -1.26 -4.86 118.68 117.93 1du2 s LEU 5 Ca 0.81 0.75 -0.12 0.00 -0.22 0.00 0.00 54.13 55.36 1du2 s LEU 5 Cb -0.37 -3.55 0.20 0.00 0.50 0.00 0.00 46.19 42.97 1du2 s LEU 5 CO 0.42 -1.13 1.15 0.00 -1.32 0.00 0.00 176.35 175.46 1du2 s ALA 6 N 4.27 -4.92 -0.18 5.97 0.00 -1.26 -5.01 121.76 120.63 1du2 s ALA 6 Ca 0.49 1.27 -0.21 0.00 0.00 0.00 0.00 51.96 53.51 1du2 s ALA 6 Cb -0.10 -3.06 -0.19 0.00 0.00 0.00 0.00 23.12 19.77 1du2 s ALA 6 CO 0.26 -2.57 0.31 -0.22 0.00 0.00 0.00 175.76 173.54 1du2 h LYS 7 N 4.73 0.00 0.00 0.00 1.63 -1.98 -3.49 116.57 117.46 1du2 h LYS 7 Ca -0.04 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.76 1du2 h LYS 7 Cb 1.22 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.85 1du2 h LYS 7 CO -0.12 0.86 0.00 -0.11 -3.45 0.00 0.00 179.45 176.63 1du2 n LEU 8 N -4.51 0.00 -3.44 5.20 7.94 -1.26 -4.97 117.00 115.96 1du2 n LEU 8 Ca -0.23 0.00 -0.22 0.00 -1.11 0.00 0.00 56.01 54.45 1du2 n LEU 8 Cb 0.56 0.00 0.08 0.00 0.53 0.00 0.00 43.42 44.59 1du2 n LEU 8 CO 0.21 0.00 0.23 0.47 -1.11 0.00 0.00 177.39 177.19 1du2 n ASP 9 N 0.00 -5.87 0.00 1.96 9.92 -1.26 -4.85 116.55 116.45 1du2 n ASP 9 Ca 0.00 -0.52 0.11 0.00 -0.53 0.00 0.00 54.79 53.85 1du2 n ASP 9 Cb 0.00 -4.82 0.62 0.00 -0.64 0.00 0.00 41.12 36.28 1du2 n ASP 9 CO 0.00 0.00 0.00 1.67 0.13 0.00 0.00 177.20 179.00 1du2 n GLN 10 N -4.73 0.53 -0.02 -1.24 7.27 -1.26 -2.26 117.38 115.67 1du2 n GLN 10 Ca -0.01 0.04 -0.00 0.00 0.07 0.00 0.00 57.00 57.09 1du2 n GLN 10 Cb 0.57 -1.50 -0.12 0.00 2.41 0.00 0.00 30.24 31.59 1du2 n GLN 10 CO 0.00 0.00 0.00 2.41 0.07 0.00 0.00 177.06 179.54 1du2 n THR 11 N -1.13 0.96 0.60 1.69 -1.04 -1.26 -4.00 114.28 110.10 1du2 n THR 11 Ca 0.14 -0.69 0.13 0.00 -2.04 0.00 0.00 64.05 61.58 1du2 n THR 11 Cb 0.12 -0.48 0.36 0.00 -1.82 0.00 0.00 70.33 68.51 1du2 n THR 11 CO 0.00 0.00 0.00 -0.08 -0.64 0.00 0.00 175.07 174.35 1du2 h GLU 12 N 0.00 0.00 -0.01 -2.82 4.81 -1.83 -3.20 114.58 111.53 1du2 h GLU 12 Ca -0.24 0.00 -0.16 0.00 -0.13 0.00 0.00 59.36 58.83 1du2 h GLU 12 Cb 1.63 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 31.00 1du2 h GLU 12 CO 0.03 0.00 -0.74 0.00 -0.73 0.00 0.00 179.01 177.57 1du2 h MET 13 N 0.00 0.08 -0.00 1.92 -0.00 -1.68 0.17 114.93 115.41 1du2 h MET 13 Ca 0.00 -0.07 -0.15 0.00 -0.00 0.00 0.00 59.70 59.48 1du2 h MET 13 Cb 0.75 0.02 -0.02 0.00 -0.00 0.00 0.00 31.60 32.35 1du2 h MET 13 CO 0.00 0.78 -0.73 0.22 -0.00 0.00 0.00 176.91 177.18 1du2 h ASP 14 N 0.05 0.00 0.00 -0.10 3.58 -1.73 -3.12 116.42 115.10 1du2 h ASP 14 Ca -0.01 -0.00 -0.02 0.00 0.42 0.00 0.00 57.03 57.41 1du2 h ASP 14 Cb 1.30 -0.00 -0.00 0.00 1.72 0.00 0.00 39.33 42.34 1du2 h ASP 14 CO 0.10 0.73 -0.12 0.11 -2.88 0.00 0.00 179.24 177.19 1du2 h LYS 15 N 0.00 0.00 -1.68 0.28 6.56 -1.59 -3.25 116.57 116.89 1du2 h LYS 15 Ca -0.01 0.00 0.51 0.00 -1.06 0.00 0.00 60.65 60.09 1du2 h LYS 15 Cb 1.29 0.00 -0.10 0.00 -0.57 0.00 0.00 32.23 32.85 1du2 h LYS 15 CO 0.10 0.73 1.17 -0.24 -2.06 0.00 0.00 179.45 179.14 1du2 h VAL 16 N -1.00 0.06 0.25 0.50 3.04 -0.74 0.98 116.25 119.35 1du2 h VAL 16 Ca -0.03 -0.01 -0.01 0.00 -1.01 0.00 0.00 66.70 65.64 1du2 h VAL 16 Cb 0.77 0.04 0.00 0.00 -2.01 0.00 0.00 31.29 30.09 1du2 h VAL 16 CO -0.02 0.00 -0.12 -1.13 -1.01 0.00 0.00 177.57 175.29 1du2 h ASN 17 N 0.02 -0.29 0.00 3.17 -0.00 -1.60 -2.89 115.58 113.99 1du2 h ASN 17 Ca 0.88 0.01 0.00 0.00 -0.00 0.00 0.00 56.30 57.19 1du2 h ASN 17 Cb 3.25 0.07 0.00 0.00 -0.00 0.00 0.00 38.32 41.65 1du2 h ASN 17 CO -0.17 -0.14 0.09 0.58 -0.00 0.00 0.00 177.43 177.78 1du2 h VAL 18 N -0.47 0.00 -1.90 2.57 2.07 -0.54 -2.24 116.25 115.73 1du2 h VAL 18 Ca -0.03 0.00 0.55 0.00 0.82 0.00 0.00 66.70 68.04 1du2 h VAL 18 Cb 0.26 0.60 -0.08 0.00 -1.52 0.00 0.00 31.29 30.56 1du2 h VAL 18 CO 0.06 0.00 1.38 -0.78 0.02 0.00 0.00 177.57 178.25 1du2 h ASP 19 N 0.00 0.00 0.04 0.57 3.58 0.10 1.76 116.42 122.48 1du2 h ASP 19 Ca 0.00 0.00 -0.10 0.00 0.42 0.00 0.00 57.03 57.35 1du2 h ASP 19 Cb 0.18 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.23 1du2 h ASP 19 CO 0.00 0.00 -0.50 0.25 -2.88 0.00 0.00 179.24 176.11 1du2 h LEU 20 N 0.00 0.13 -1.90 2.28 5.85 -1.58 -3.23 115.31 116.86 1du2 h LEU 20 Ca 0.90 -0.90 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1du2 h LEU 20 Cb 3.66 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 44.64 1du2 h LEU 20 CO -0.01 1.22 0.01 0.00 -0.34 0.00 0.00 178.44 179.32 1du2 h ALA 21 N -0.06 1.01 -1.91 1.25 0.00 0.22 -3.44 119.26 116.32 1du2 h ALA 21 Ca -0.11 0.00 -0.55 0.00 0.00 0.00 0.00 54.91 54.25 1du2 h ALA 21 Cb 1.26 0.00 0.20 0.00 0.00 0.00 0.00 17.79 19.25 1du2 h ALA 21 CO 0.00 -0.01 -1.46 0.00 0.00 0.00 0.00 179.25 177.79 1du2 n ALA 22 N -1.87 -4.26 -1.92 0.00 0.00 0.19 -4.98 120.51 107.68 1du2 n ALA 22 Ca -0.02 -0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.05 1du2 n ALA 22 Cb 0.05 -1.21 0.00 0.00 0.00 0.00 0.00 19.45 18.29 1du2 n ALA 22 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1du2 n ALA 23 N -1.94 0.00 -1.00 0.00 0.00 -1.26 -5.07 120.51 111.24 1du2 n ALA 23 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.47 1du2 n ALA 23 Cb 0.49 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.94 1du2 n ALA 23 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1du2 n GLY 24 N 5.00 0.00 0.00 0.00 0.00 -1.26 -4.95 105.19 103.98 1du2 n GLY 24 Ca 0.00 0.06 0.06 0.00 0.00 0.00 0.00 46.02 46.13 1du2 n GLY 24 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1du2 n VAL 25 N -0.44 0.00 0.00 1.61 0.31 -1.26 -4.78 118.33 113.77 1du2 n VAL 25 Ca 0.00 -0.25 0.00 0.00 -0.01 0.00 0.00 64.34 64.08 1du2 n VAL 25 Cb 0.00 0.66 0.00 0.00 -0.91 0.00 0.00 33.84 33.59 1du2 n VAL 25 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1du2 n ALA 26 N -1.55 0.00 -2.39 3.52 0.00 -1.26 -4.40 120.51 114.42 1du2 n ALA 26 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.24 1du2 n ALA 26 Cb 0.23 0.10 -0.10 0.00 0.00 0.00 0.00 19.45 19.69 1du2 n ALA 26 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 1du2 s PHE 27 N -0.64 1.91 0.00 0.00 -0.71 -1.26 -4.48 117.98 112.79 1du2 s PHE 27 Ca 0.00 -0.50 0.00 0.00 -1.04 0.00 0.00 56.93 55.39 1du2 s PHE 27 Cb 0.00 -0.88 0.00 0.00 -1.21 0.00 0.00 43.02 40.93 1du2 s PHE 27 CO 0.00 0.47 0.00 1.17 -1.34 0.00 0.00 175.22 175.52 1du2 n LYS 28 N -0.47 0.00 -0.32 1.99 0.00 -1.26 -4.83 118.16 113.27 1du2 n LYS 28 Ca -0.07 0.00 0.10 0.00 0.00 0.00 0.00 58.31 58.34 1du2 n LYS 28 Cb 0.60 -1.81 0.20 0.00 0.00 0.00 0.00 35.03 34.03 1du2 n LYS 28 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.40 176.55 1du2 n GLU 29 N -2.45 -0.08 0.00 1.64 0.28 -1.26 -4.60 120.64 114.18 1du2 n GLU 29 Ca 0.00 1.37 0.00 0.00 -0.16 0.00 0.00 57.16 58.37 1du2 n GLU 29 Cb 0.00 -2.12 0.00 0.00 1.43 0.00 0.00 31.44 30.75 1du2 n GLU 29 CO 0.00 0.00 0.00 -2.13 -0.16 0.00 0.00 177.13 174.84 1du2 n ARG 30 N -5.39 0.00 0.24 3.44 0.00 -1.26 -2.94 116.66 110.75 1du2 n ARG 30 Ca 0.18 0.00 0.16 0.00 -0.00 0.00 0.00 57.85 58.19 1du2 n ARG 30 Cb 0.58 0.00 0.73 0.00 0.00 0.00 0.00 32.46 33.77 1du2 n ARG 30 CO 0.00 0.00 0.00 0.10 0.00 0.00 0.00 177.63 177.73 1du2 h TYR 31 N 0.00 0.00 -5.15 -0.14 -0.00 -1.95 -3.47 116.97 106.26 1du2 h TYR 31 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 58.73 58.61 1du2 h TYR 31 Cb 0.00 0.00 0.09 0.00 0.00 0.00 0.00 36.73 36.82 1du2 h TYR 31 CO 0.00 0.00 -0.40 -1.71 -0.00 0.00 0.00 178.16 176.05 1du2 n ASN 32 N -2.77 -6.65 -4.75 0.10 5.15 -1.15 -4.97 115.26 100.23 1du2 n ASN 32 Ca 0.00 -0.36 -0.40 0.00 -0.60 0.00 0.00 54.58 53.21 1du2 n ASN 32 Cb 0.21 -4.78 -0.06 0.00 -0.53 0.00 0.00 39.78 34.62 1du2 n ASN 32 CO 0.00 0.00 0.00 -0.32 1.40 0.00 0.00 177.26 178.34 1du2 s MET 33 N -3.65 4.82 0.46 1.20 -2.45 -1.26 -5.06 119.30 113.36 1du2 s MET 33 Ca 0.22 1.48 -0.08 0.00 -1.25 0.00 0.00 55.69 56.06 1du2 s MET 33 Cb -0.03 -3.30 0.11 0.00 1.25 0.00 0.00 34.83 32.86 1du2 s MET 33 CO 0.66 0.45 0.51 -0.35 1.05 0.00 0.00 175.02 177.34 1du2 n PRO 34 N 1.81 -1.21 -1.48 4.11 -0.04 -1.26 -4.71 135.00 132.22 1du2 n PRO 34 Ca -0.01 -0.80 -0.20 0.00 -0.04 0.00 0.00 63.50 62.45 1du2 n PRO 34 Cb 0.48 -0.63 -0.20 0.00 -0.04 0.00 0.00 33.50 33.10 1du2 n PRO 34 CO 0.00 0.00 0.00 1.55 -0.04 0.00 0.00 175.50 177.01 1du2 n VAL 35 N -3.12 0.00 -3.64 0.52 3.14 -1.26 -4.66 118.33 109.31 1du2 n VAL 35 Ca 0.07 -0.50 -0.02 0.00 -2.96 0.00 0.00 64.34 60.93 1du2 n VAL 35 Cb 0.24 -0.17 -0.04 0.00 -1.06 0.00 0.00 33.84 32.81 1du2 n VAL 35 CO 0.00 0.00 0.00 -0.63 -6.46 0.00 0.00 176.83 169.74 1du2 s ILE 36 N 1.27 0.00 0.00 1.55 1.01 -1.26 -5.04 121.20 118.72 1du2 s ILE 36 Ca 1.21 0.00 0.00 0.00 0.00 0.00 0.00 60.65 61.86 1du2 s ILE 36 Cb -0.74 -1.00 0.00 0.00 0.01 0.00 0.00 42.46 40.73 1du2 s ILE 36 CO 0.50 0.00 0.00 0.00 0.00 0.00 0.00 174.94 175.44 1du2 n ALA 37 N 0.54 1.95 -0.03 9.38 0.00 -1.26 -4.50 120.51 126.59 1du2 n ALA 37 Ca -0.00 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.31 1du2 n ALA 37 Cb 0.59 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.95 1du2 n ALA 37 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1du2 h GLU 38 N 0.00 0.16 0.00 0.00 4.81 -1.96 -2.69 114.58 114.90 1du2 h GLU 38 Ca 0.00 -0.09 0.00 0.00 -0.13 0.00 0.00 59.36 59.14 1du2 h GLU 38 Cb 0.00 0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.39 1du2 h GLU 38 CO 0.00 0.65 0.00 0.00 -0.73 0.00 0.00 179.01 178.93 1du2 n ALA 39 N -2.40 2.25 -0.06 2.92 0.00 -1.26 -1.68 120.51 120.28 1du2 n ALA 39 Ca -0.08 -0.12 -0.15 0.00 0.00 0.00 0.00 53.44 53.09 1du2 n ALA 39 Cb 0.33 -1.37 -0.13 0.00 0.00 0.00 0.00 19.45 18.28 1du2 n ALA 39 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1du2 h VAL 40 N 0.00 1.75 0.06 0.00 2.07 -1.71 -2.90 116.25 115.53 1du2 h VAL 40 Ca 0.00 -2.36 -0.24 0.00 0.82 0.00 0.00 66.70 64.92 1du2 h VAL 40 Cb 0.10 3.35 -0.00 0.00 -1.52 0.00 0.00 31.29 33.22 1du2 h VAL 40 CO 0.00 0.61 -1.08 -0.33 0.02 0.00 0.00 177.57 176.79 1du2 h GLU 41 N -0.94 0.23 -0.22 1.57 5.08 -1.39 -2.95 114.58 115.96 1du2 h GLU 41 Ca -0.02 -0.33 -0.03 0.00 -1.00 0.00 0.00 59.36 57.98 1du2 h GLU 41 Cb 1.07 0.11 -0.01 0.00 0.50 0.00 0.00 28.75 30.42 1du2 h GLU 41 CO 0.01 1.11 0.00 -0.09 -1.00 0.00 0.00 179.01 179.04 1du2 h ARG 42 N 0.09 0.33 0.00 2.33 9.65 -1.46 -3.32 114.38 122.00 1du2 h ARG 42 Ca -0.09 -0.05 0.00 0.00 -1.10 0.00 0.00 59.98 58.74 1du2 h ARG 42 Cb 1.78 -0.06 0.00 0.00 -1.39 0.00 0.00 29.97 30.30 1du2 h ARG 42 CO 0.17 0.35 0.00 0.39 2.80 0.00 0.00 179.97 183.68 1du2 n GLU 43 N -4.36 0.00 -3.52 0.20 -0.58 -1.09 -4.96 120.64 106.33 1du2 n GLU 43 Ca 0.00 0.10 -0.07 0.00 -0.42 0.00 0.00 57.16 56.78 1du2 n GLU 43 Cb 0.19 -0.72 -0.08 0.00 -0.57 0.00 0.00 31.44 30.27 1du2 n GLU 43 CO 0.00 0.00 0.00 -1.14 -0.48 0.00 0.00 177.13 175.51 1du2 s GLN 44 N -0.48 0.38 0.11 3.49 2.00 -1.12 -5.10 119.66 118.94 1du2 s GLN 44 Ca 0.00 0.93 -0.30 0.00 -2.00 0.00 0.00 55.36 53.98 1du2 s GLN 44 Cb 0.00 0.17 -0.06 0.00 0.80 0.00 0.00 33.01 33.91 1du2 s GLN 44 CO 0.00 -0.40 1.14 -1.25 -0.50 0.00 0.00 175.29 174.29 1du2 s PRO 45 N 2.64 4.51 0.03 1.67 0.04 -1.26 -4.73 135.00 137.90 1du2 s PRO 45 Ca 0.04 1.73 -0.15 0.00 0.04 0.00 0.00 61.00 62.66 1du2 s PRO 45 Cb -0.13 -3.32 -0.08 0.00 0.04 0.00 0.00 34.50 31.01 1du2 s PRO 45 CO -0.15 -0.09 1.23 0.93 0.04 0.00 0.00 177.00 178.96 1du2 h GLU 46 N 5.97 -0.49 -0.81 4.56 3.07 -1.88 -2.90 114.58 122.10 1du2 h GLU 46 Ca -0.43 0.03 0.14 0.00 -0.50 0.00 0.00 59.36 58.60 1du2 h GLU 46 Cb 1.21 0.11 -0.14 0.00 -0.84 0.00 0.00 28.75 29.09 1du2 h GLU 46 CO 0.77 -0.33 -0.27 -2.39 -1.40 0.00 0.00 179.01 175.39 1du2 n HIS 47 N -3.55 0.13 -0.49 4.33 1.44 -1.26 0.42 115.22 116.23 1du2 n HIS 47 Ca -0.06 1.00 0.43 0.00 -2.01 0.00 0.00 57.72 57.08 1du2 n HIS 47 Cb 0.21 -0.87 0.70 0.00 0.12 0.00 0.00 29.99 30.15 1du2 n HIS 47 CO 0.00 0.00 0.00 -0.07 -2.81 0.00 0.00 176.34 173.46 1du2 h LEU 48 N 0.00 0.00 -0.64 2.39 -0.00 -1.88 2.48 115.31 117.67 1du2 h LEU 48 Ca 0.33 0.00 0.01 0.00 -0.00 0.00 0.00 57.88 58.22 1du2 h LEU 48 Cb 0.53 0.00 -0.03 0.00 -0.00 0.00 0.00 40.66 41.16 1du2 h LEU 48 CO -0.82 0.00 0.41 0.08 -0.00 0.00 0.00 178.44 178.11 1du2 h ARG 49 N 0.00 0.82 0.00 1.13 0.11 0.83 0.17 114.38 117.43 1du2 h ARG 49 Ca 0.74 -0.05 -0.09 0.00 0.10 0.00 0.00 59.98 60.68 1du2 h ARG 49 Cb 3.25 -0.18 -0.02 0.00 1.11 0.00 0.00 29.97 34.13 1du2 h ARG 49 CO -0.01 0.54 -1.96 0.43 0.10 0.00 0.00 179.97 179.07 1du2 n SER 50 N -4.66 0.66 0.26 0.08 7.64 0.65 -1.82 113.62 116.43 1du2 n SER 50 Ca 0.05 0.00 0.16 0.00 1.01 0.00 0.00 58.87 60.09 1du2 n SER 50 Cb 0.03 1.61 0.59 0.00 -1.01 0.00 0.00 64.21 65.43 1du2 n SER 50 CO 0.00 0.00 0.00 -0.50 -3.01 0.00 0.00 175.04 171.53 1du2 h TRP 51 N 0.00 0.00 0.00 1.43 -0.00 0.34 1.77 115.95 119.48 1du2 h TRP 51 Ca -0.13 0.00 -0.11 0.00 -0.00 0.00 0.00 58.89 58.65 1du2 h TRP 51 Cb 1.21 0.00 -0.02 0.00 -0.00 0.00 0.00 29.16 30.35 1du2 h TRP 51 CO 0.00 0.04 -1.42 0.34 -0.00 0.00 0.00 178.44 177.40 1du2 n PHE 52 N -3.14 0.00 0.56 0.49 7.35 0.57 -4.58 117.46 118.71 1du2 n PHE 52 Ca 0.01 0.00 0.10 0.00 -0.76 0.00 0.00 57.45 56.80 1du2 n PHE 52 Cb 0.35 -0.30 0.13 0.00 0.35 0.00 0.00 39.48 40.01 1du2 n PHE 52 CO 0.00 0.00 0.00 -2.13 -0.76 0.00 0.00 176.76 173.87 1du2 n ARG 53 N -2.24 2.04 -0.17 -4.13 0.63 -0.75 -4.59 116.66 107.45 1du2 n ARG 53 Ca -0.10 -1.90 0.16 0.00 -0.92 0.00 0.00 57.85 55.09 1du2 n ARG 53 Cb 0.70 -1.41 0.30 0.00 0.45 0.00 0.00 32.46 32.50 1du2 n ARG 53 CO 0.00 0.00 0.00 -0.85 -2.51 0.00 0.00 177.63 174.27 1du2 n GLU 54 N 1.19 -0.03 0.00 -0.14 -0.00 0.60 -4.59 120.64 117.67 1du2 n GLU 54 Ca 0.14 0.74 0.00 0.00 -0.00 0.00 0.00 57.16 58.04 1du2 n GLU 54 Cb 0.52 -1.32 0.00 0.00 -0.00 0.00 0.00 31.44 30.64 1du2 n GLU 54 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.13 175.00 1du2 n ARG 55 N -4.24 0.00 -1.89 3.44 0.63 -1.26 -2.21 116.66 111.12 1du2 n ARG 55 Ca 0.20 0.00 -0.32 0.00 -0.92 0.00 0.00 57.85 56.80 1du2 n ARG 55 Cb 0.67 0.00 0.04 0.00 0.45 0.00 0.00 32.46 33.62 1du2 n ARG 55 CO 0.00 0.00 0.00 -0.11 -2.51 0.00 0.00 177.63 175.01 1du2 n LEU 56 N 0.00 6.42 0.00 6.15 -0.00 -1.26 -4.85 117.00 123.46 1du2 n LEU 56 Ca 0.00 -4.75 0.00 0.00 -0.00 0.00 0.00 56.01 51.26 1du2 n LEU 56 Cb 0.00 -0.76 0.00 0.00 -0.00 0.00 0.00 43.42 42.66 1du2 n LEU 56 CO 0.00 1.86 0.38 0.00 -0.00 0.00 0.00 177.39 179.62 1du2 n ILE 57 N -0.67 0.00 0.00 1.96 3.06 -0.94 -4.74 119.36 118.03 1du2 n ILE 57 Ca 0.51 1.26 0.00 0.00 -2.50 0.00 0.00 62.75 62.02 1du2 n ILE 57 Cb 0.60 -1.77 0.00 0.00 0.54 0.00 0.00 39.64 39.01 1du2 n ILE 57 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1du2 n ALA 58 N -2.01 0.00 -3.62 1.51 0.00 -1.26 -4.79 120.51 110.34 1du2 n ALA 58 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.31 1du2 n ALA 58 Cb 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.38 1du2 n ALA 58 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.50 174.12 1du2 s HIS 59 N -0.02 -0.67 -0.08 0.00 0.00 -1.26 -5.18 115.29 108.07 1du2 s HIS 59 Ca 0.00 1.61 -0.32 0.00 -3.00 0.00 0.00 55.06 53.35 1du2 s HIS 59 Cb 0.00 0.31 0.12 0.00 -4.00 0.00 0.00 32.58 29.02 1du2 s HIS 59 CO 0.00 -0.35 1.39 0.50 -1.00 0.00 0.00 174.74 175.28 1du2 s ARG 60 N 0.18 0.07 -0.17 -0.38 6.06 -1.26 -5.19 118.95 118.27 1du2 s ARG 60 Ca 0.00 -0.05 -0.30 0.00 -2.50 0.00 0.00 55.73 52.88 1du2 s ARG 60 Cb -0.05 0.02 0.14 0.00 0.06 0.00 0.00 34.95 35.12 1du2 s ARG 60 CO -0.00 -0.03 1.06 -0.48 -2.50 0.00 0.00 175.30 173.34 1du2 s LEU 61 N -3.44 -0.30 0.32 -0.88 0.05 -1.26 -5.09 118.68 108.08 1du2 s LEU 61 Ca 0.23 0.28 0.00 0.00 0.05 0.00 0.00 54.13 54.69 1du2 s LEU 61 Cb 0.04 1.73 0.00 0.00 -2.05 0.00 0.00 46.19 45.91 1du2 s LEU 61 CO -0.05 -0.32 0.00 0.00 -0.55 0.00 0.00 176.35 175.44 1du2 n ALA 62 N 0.55 0.29 -1.94 1.48 0.00 -1.26 -5.15 120.51 114.48 1du2 n ALA 62 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.36 1du2 n ALA 62 Cb 0.58 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.03 1du2 n ALA 62 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1du2 n SER 63 N -3.16 -8.41 0.00 0.00 2.88 -1.26 -5.06 113.62 98.61 1du2 n SER 63 Ca 0.00 1.27 0.00 0.00 -1.33 0.00 0.00 58.87 58.81 1du2 n SER 63 Cb 0.00 -4.75 0.00 0.00 -0.75 0.00 0.00 64.21 58.71 1du2 n SER 63 CO 0.00 0.00 0.00 0.52 -1.23 0.00 0.00 175.04 174.33 1du2 n VAL 64 N 1.75 0.00 0.00 2.46 0.31 -1.26 -4.89 118.33 116.70 1du2 n VAL 64 Ca 0.00 0.00 -0.01 0.00 -0.01 0.00 0.00 64.34 64.32 1du2 n VAL 64 Cb 0.00 0.00 -0.01 0.00 -0.91 0.00 0.00 33.84 32.92 1du2 n VAL 64 CO 0.00 0.00 0.00 -1.13 -1.32 0.00 0.00 176.83 174.38 1du2 h ASN 65 N 0.00 -0.13 -0.31 4.52 -0.73 -1.92 -3.44 115.58 113.57 1du2 h ASN 65 Ca 0.00 0.01 0.13 0.00 1.87 0.00 0.00 56.30 58.32 1du2 h ASN 65 Cb 0.00 0.05 -0.18 0.00 0.27 0.00 0.00 38.32 38.46 1du2 h ASN 65 CO 0.00 -0.04 -0.12 -0.22 -0.37 0.00 0.00 177.43 176.68 1du2 s LEU 66 N -5.43 -0.48 0.82 0.34 2.96 -1.26 -5.04 118.68 110.59 1du2 s LEU 66 Ca -0.01 -0.15 -0.12 0.00 -0.22 0.00 0.00 54.13 53.62 1du2 s LEU 66 Cb 0.01 0.82 0.08 0.00 0.50 0.00 0.00 46.19 47.60 1du2 s LEU 66 CO 0.05 -0.06 1.16 -0.44 -1.32 0.00 0.00 176.35 175.73 1du2 s SER 67 N 2.24 4.40 0.32 3.68 0.01 -1.26 -4.73 113.70 118.37 1du2 s SER 67 Ca 0.18 0.87 0.00 0.00 1.31 0.00 0.00 55.95 58.31 1du2 s SER 67 Cb 0.01 -1.42 0.00 0.00 0.21 0.00 0.00 66.02 64.82 1du2 s SER 67 CO -0.17 -1.98 0.00 -1.14 0.41 0.00 0.00 173.24 170.36 1du2 n ARG 68 N -3.38 -5.13 -2.57 12.44 0.63 -1.26 -4.95 116.66 112.45 1du2 n ARG 68 Ca 0.08 3.68 -0.32 0.00 -0.92 0.00 0.00 57.85 60.37 1du2 n ARG 68 Cb 0.60 -4.02 -0.04 0.00 0.45 0.00 0.00 32.46 29.45 1du2 n ARG 68 CO 0.00 0.00 0.00 -0.48 -2.51 0.00 0.00 177.63 174.64 1du2 s LEU 69 N -1.55 3.72 0.16 6.15 0.05 -1.26 -5.02 118.68 120.92 1du2 s LEU 69 Ca 0.00 1.46 -0.30 0.00 0.05 0.00 0.00 54.13 55.34 1du2 s LEU 69 Cb 0.00 -4.37 -0.07 0.00 -2.05 0.00 0.00 46.19 39.70 1du2 s LEU 69 CO 0.00 -0.51 1.13 -2.16 -0.55 0.00 0.00 176.35 174.26 1du2 s PRO 70 N -3.91 4.55 -0.11 1.48 0.04 -1.26 -5.04 135.00 130.76 1du2 s PRO 70 Ca 0.57 1.74 -0.02 0.00 0.04 0.00 0.00 61.00 63.34 1du2 s PRO 70 Cb -0.10 -3.28 -0.03 0.00 0.04 0.00 0.00 34.50 31.13 1du2 s PRO 70 CO 0.29 0.00 -0.04 0.71 0.04 0.00 0.00 177.00 178.01 1du2 s TYR 71 N -0.01 3.04 -0.40 0.56 1.51 -1.26 -5.08 117.35 115.70 1du2 s TYR 71 Ca 0.51 -0.06 -0.19 0.00 -1.01 0.00 0.00 57.07 56.32 1du2 s TYR 71 Cb -0.30 -1.84 0.01 0.00 -0.11 0.00 0.00 41.96 39.73 1du2 s TYR 71 CO 0.34 0.22 0.57 -1.21 -1.11 0.00 0.00 175.55 174.36 1du2 s GLU 72 N -0.35 3.40 -0.16 -0.62 8.01 -1.26 -5.03 118.70 122.70 1du2 s GLU 72 Ca 0.06 -0.32 -0.29 0.00 0.01 0.00 0.00 54.97 54.42 1du2 s GLU 72 Cb -0.12 -3.89 -0.02 0.00 -4.31 0.00 0.00 34.13 25.79 1du2 s GLU 72 CO 0.02 -0.84 1.27 -1.25 0.01 0.00 0.00 175.26 174.48 1du2 s PRO 73 N 2.56 4.23 0.32 0.39 0.04 -1.26 -4.95 135.00 136.33 1du2 s PRO 73 Ca 0.20 1.67 -0.22 0.00 0.04 0.00 0.00 61.00 62.69 1du2 s PRO 73 Cb -0.15 -3.77 -0.15 0.00 0.04 0.00 0.00 34.50 30.47 1du2 s PRO 73 CO 0.16 -0.71 0.21 1.63 0.04 0.00 0.00 177.00 178.33 1du2 n LYS 74 N 6.60 0.00 0.00 4.56 4.76 -1.26 -4.94 118.16 127.88 1du2 n LYS 74 Ca 0.14 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.58 1du2 n LYS 74 Cb 0.45 -0.94 0.00 0.00 -1.84 0.00 0.00 35.03 32.70 1du2 n LYS 74 CO 0.00 0.00 0.00 -0.11 -1.37 0.00 0.00 177.40 175.92 1du2 n LEU 75 N 2.10 0.00 0.00 -0.35 7.94 -1.26 -5.33 117.00 120.10 1du2 n LEU 75 Ca 0.13 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.03 1du2 n LEU 75 Cb 0.33 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.28 1du2 n LEU 75 CO 0.52 0.00 0.00 0.29 -1.11 0.00 0.00 177.39 177.09