#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 -0.06 0.12 4.03 2.96 -1.26 -5.17 118.68 119.30 1du2 s LEU 2 Ca 0.00 -0.55 0.02 0.00 -0.22 0.00 0.00 54.13 53.38 1du2 s LEU 2 Cb 0.00 2.08 -0.04 0.00 0.50 0.00 0.00 46.19 48.73 1du2 s LEU 2 CO 0.00 -0.93 0.26 -0.54 -1.32 0.00 0.00 176.35 173.82 1du2 s LYS 3 N -2.60 3.43 -0.29 1.98 1.02 -1.26 -5.10 119.74 116.93 1du2 s LYS 3 Ca 0.18 -0.55 -0.27 0.00 0.02 0.00 0.00 55.97 55.34 1du2 s LYS 3 Cb -0.02 -2.98 0.19 0.00 -0.52 0.00 0.00 37.83 34.50 1du2 s LYS 3 CO 0.04 0.55 1.41 0.54 -0.92 0.00 0.00 175.35 176.96 1du2 s ASN 4 N -3.02 -0.04 0.46 2.83 2.20 -1.26 -5.18 114.94 110.93 1du2 s ASN 4 Ca 0.35 0.07 0.04 0.00 -0.94 0.00 0.00 52.86 52.37 1du2 s ASN 4 Cb -0.12 0.06 -0.04 0.00 -2.00 0.00 0.00 41.25 39.15 1du2 s ASN 4 CO 0.28 -0.03 0.02 -0.76 -2.94 0.00 0.00 177.10 173.68 1du2 s LEU 5 N -0.47 2.59 0.00 3.54 1.02 -1.26 -5.13 118.68 118.98 1du2 s LEU 5 Ca 0.08 -1.50 0.00 0.00 0.02 0.00 0.00 54.13 52.73 1du2 s LEU 5 Cb -0.03 -0.84 0.00 0.00 0.02 0.00 0.00 46.19 45.34 1du2 s LEU 5 CO -0.12 -0.66 0.00 0.00 0.02 0.00 0.00 176.35 175.59 1du2 n ALA 6 N -1.14 0.00 0.02 4.21 0.00 -1.26 -5.08 120.51 117.26 1du2 n ALA 6 Ca -0.12 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.31 1du2 n ALA 6 Cb 0.67 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 20.11 1du2 n ALA 6 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 1du2 n LYS 7 N 0.00 0.04 -1.91 0.00 0.00 -1.26 -5.07 118.16 109.97 1du2 n LYS 7 Ca 0.00 0.02 -0.03 0.00 -0.00 0.00 0.00 58.31 58.29 1du2 n LYS 7 Cb 0.00 -0.57 0.02 0.00 -0.00 0.00 0.00 35.03 34.48 1du2 n LYS 7 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.40 177.29 1du2 n LEU 8 N -3.39 -2.82 -3.75 -5.58 7.94 -1.26 -3.85 117.00 104.30 1du2 n LEU 8 Ca -0.02 -0.16 -0.24 0.00 -1.11 0.00 0.00 56.01 54.48 1du2 n LEU 8 Cb 0.23 -1.11 0.04 0.00 0.53 0.00 0.00 43.42 43.10 1du2 n LEU 8 CO 0.01 0.02 0.03 0.47 -1.11 0.00 0.00 177.39 176.81 1du2 n ASP 9 N -1.88 -2.86 -0.26 1.96 9.92 -1.26 -4.86 116.55 117.30 1du2 n ASP 9 Ca -0.02 -0.77 0.03 0.00 -0.53 0.00 0.00 54.79 53.50 1du2 n ASP 9 Cb 0.53 -4.15 0.04 0.00 -0.64 0.00 0.00 41.12 36.89 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 -4.46 0.88 -0.13 -1.24 7.27 -1.25 -4.59 117.38 113.86 1du2 n GLN 10 Ca -0.16 -1.16 -0.03 0.00 0.07 0.00 0.00 57.00 55.71 1du2 n GLN 10 Cb 0.62 -1.12 0.19 0.00 2.41 0.00 0.00 30.24 32.33 1du2 n GLN 10 CO 0.00 0.00 0.00 1.15 0.07 0.00 0.00 177.06 178.28 1du2 h THR 11 N 1.08 1.23 -0.20 1.69 2.02 -1.89 -1.77 112.91 115.07 1du2 h THR 11 Ca 0.00 -0.85 0.06 0.00 0.77 0.00 0.00 66.41 66.39 1du2 h THR 11 Cb 0.37 0.71 -0.01 0.00 -1.74 0.00 0.00 68.15 67.48 1du2 h THR 11 CO 0.00 0.31 0.17 -0.08 0.37 0.00 0.00 175.52 176.29 1du2 h GLU 12 N 0.79 0.00 -0.39 6.66 4.81 -1.84 0.53 114.58 125.14 1du2 h GLU 12 Ca 0.17 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.39 1du2 h GLU 12 Cb 0.32 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.68 1du2 h GLU 12 CO 0.00 0.00 0.18 1.98 -0.73 0.00 0.00 179.01 180.44 1du2 h MET 13 N 0.00 0.53 0.00 1.92 4.05 -1.64 1.55 114.93 121.35 1du2 h MET 13 Ca 0.09 -0.06 -0.14 0.00 -0.28 0.00 0.00 59.70 59.32 1du2 h MET 13 Cb 0.44 -0.11 -0.02 0.00 -0.80 0.00 0.00 31.60 31.11 1du2 h MET 13 CO -0.00 0.42 -0.77 0.22 0.23 0.00 0.00 176.91 177.01 1du2 h ASP 14 N 0.54 0.00 0.25 1.39 3.58 -1.01 -3.25 116.42 117.92 1du2 h ASP 14 Ca 0.14 0.00 -0.34 0.00 0.42 0.00 0.00 57.03 57.24 1du2 h ASP 14 Cb 0.07 0.00 0.03 0.00 1.72 0.00 0.00 39.33 41.15 1du2 h ASP 14 CO -0.02 0.61 -1.55 0.11 -2.88 0.00 0.00 179.24 175.51 1du2 h LYS 15 N 0.00 0.51 0.00 0.28 6.56 -0.69 -3.13 116.57 120.10 1du2 h LYS 15 Ca -0.04 -0.87 0.00 0.00 -1.06 0.00 0.00 60.65 58.68 1du2 h LYS 15 Cb 1.50 0.32 0.00 0.00 -0.57 0.00 0.00 32.23 33.49 1du2 h LYS 15 CO 0.07 1.42 0.12 -0.24 -2.06 0.00 0.00 179.45 178.76 1du2 h VAL 16 N 0.14 0.00 0.00 0.50 3.04 0.21 0.13 116.25 120.27 1du2 h VAL 16 Ca -0.28 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.41 1du2 h VAL 16 Cb 2.16 0.82 0.00 0.00 -2.01 0.00 0.00 31.29 32.26 1du2 h VAL 16 CO 0.25 0.00 -0.00 -1.13 -1.01 0.00 0.00 177.57 175.68 1du2 h ASN 17 N 0.00 0.00 -0.36 3.17 -0.00 -1.58 -3.32 115.58 113.49 1du2 h ASN 17 Ca 0.00 0.00 0.11 0.00 -0.00 0.00 0.00 56.30 56.41 1du2 h ASN 17 Cb 0.24 0.00 -0.01 0.00 -0.00 0.00 0.00 38.32 38.54 1du2 h ASN 17 CO 0.00 0.00 0.65 0.58 -0.00 0.00 0.00 177.43 178.67 1du2 h VAL 18 N -0.01 0.14 -0.93 2.57 2.07 -1.45 0.61 116.25 119.25 1du2 h VAL 18 Ca 0.00 0.00 0.21 0.00 0.82 0.00 0.00 66.70 67.73 1du2 h VAL 18 Cb 0.00 0.43 -0.07 0.00 -1.52 0.00 0.00 31.29 30.13 1du2 h VAL 18 CO 0.00 0.00 0.61 -0.78 0.02 0.00 0.00 177.57 177.42 1du2 h ASP 19 N 0.00 0.43 0.41 0.57 3.58 -0.84 1.65 116.42 122.21 1du2 h ASP 19 Ca 0.17 0.05 -0.01 0.00 0.42 0.00 0.00 57.03 57.66 1du2 h ASP 19 Cb 1.48 -0.03 -0.00 0.00 1.72 0.00 0.00 39.33 42.50 1du2 h ASP 19 CO -0.00 0.16 -0.07 -0.07 -2.88 0.00 0.00 179.24 176.38 1du2 h LEU 20 N 0.42 0.00 0.56 2.28 3.38 0.08 -2.71 115.31 119.33 1du2 h LEU 20 Ca 0.49 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.44 1du2 h LEU 20 Cb 1.21 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.97 1du2 h LEU 20 CO -0.20 0.07 -0.27 0.00 0.09 0.00 0.00 178.44 178.13 1du2 h ALA 21 N 1.93 -0.76 0.00 1.53 0.00 0.23 -3.49 119.26 118.71 1du2 h ALA 21 Ca -0.00 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1du2 h ALA 21 Cb 0.29 0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.37 1du2 h ALA 21 CO 0.01 -0.90 0.00 0.00 0.00 0.00 0.00 179.25 178.36 1du2 n ALA 22 N -2.44 0.00 -1.69 0.00 0.00 -1.02 -5.08 120.51 110.27 1du2 n ALA 22 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.32 1du2 n ALA 22 Cb 0.32 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.77 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 -1.00 -2.28 -2.95 0.00 0.00 -1.26 -4.97 120.51 108.06 1du2 n ALA 23 Ca 0.00 0.36 -0.21 0.00 0.00 0.00 0.00 53.44 53.59 1du2 n ALA 23 Cb 0.00 -1.22 -0.02 0.00 0.00 0.00 0.00 19.45 18.21 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 1.44 4.27 0.92 0.00 0.00 -1.26 -4.83 105.19 105.73 1du2 n GLY 24 Ca 0.00 -2.13 -0.02 0.00 0.00 0.00 0.00 46.02 43.87 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 -0.03 0.78 -0.33 1.61 0.31 -1.26 -4.50 118.33 114.90 1du2 n VAL 25 Ca 0.26 0.19 0.24 0.00 -0.01 0.00 0.00 64.34 65.02 1du2 n VAL 25 Cb 0.59 -1.62 0.45 0.00 -0.91 0.00 0.00 33.84 32.35 1du2 n VAL 25 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1du2 h ALA 26 N -0.12 1.70 -1.23 3.52 0.00 -1.97 -1.46 119.26 119.71 1du2 h ALA 26 Ca -0.04 0.31 0.00 0.00 0.00 0.00 0.00 54.91 55.18 1du2 h ALA 26 Cb 0.55 0.46 0.00 0.00 0.00 0.00 0.00 17.79 18.80 1du2 h ALA 26 CO -0.02 -0.78 0.00 1.19 0.00 0.00 0.00 179.25 179.64 1du2 n PHE 27 N -5.38 0.00 -3.13 0.00 3.72 -1.26 -3.39 117.46 108.02 1du2 n PHE 27 Ca 0.31 0.00 0.04 0.00 -0.05 0.00 0.00 57.45 57.76 1du2 n PHE 27 Cb 1.04 -0.24 -0.00 0.00 -0.94 0.00 0.00 39.48 39.34 1du2 n PHE 27 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 176.76 176.92 1du2 s LYS 28 N -2.08 0.35 0.29 -1.08 2.20 -0.56 -2.68 119.74 116.18 1du2 s LYS 28 Ca 0.00 0.28 -0.00 0.00 -0.36 0.00 0.00 55.97 55.89 1du2 s LYS 28 Cb 0.00 0.14 0.68 0.00 -1.51 0.00 0.00 37.83 37.14 1du2 s LYS 28 CO 0.00 -0.63 1.59 1.05 -0.36 0.00 0.00 175.35 177.00 1du2 h GLU 29 N 7.47 0.05 0.00 4.03 9.09 -1.80 -3.43 114.58 129.98 1du2 h GLU 29 Ca -0.05 -0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.36 1du2 h GLU 29 Cb 1.18 -0.01 0.00 0.00 -1.65 0.00 0.00 28.75 28.27 1du2 h GLU 29 CO 0.02 0.03 0.00 -2.13 0.05 0.00 0.00 179.01 176.98 1du2 n ARG 30 N -5.44 0.00 0.04 1.06 0.63 -1.26 -3.48 116.66 108.21 1du2 n ARG 30 Ca 0.21 0.00 0.13 0.00 -0.92 0.00 0.00 57.85 57.27 1du2 n ARG 30 Cb 0.69 0.00 0.52 0.00 0.45 0.00 0.00 32.46 34.12 1du2 n ARG 30 CO 0.00 0.00 0.00 2.48 -2.51 0.00 0.00 177.63 177.60 1du2 n TYR 31 N 0.00 0.33 -2.99 -0.14 0.18 -1.26 -4.94 117.16 108.34 1du2 n TYR 31 Ca 0.00 0.10 -0.10 0.00 1.88 0.00 0.00 57.90 59.78 1du2 n TYR 31 Cb 0.00 -0.66 0.05 0.00 -0.38 0.00 0.00 39.34 38.34 1du2 n TYR 31 CO 0.00 0.00 0.00 -1.71 -2.08 0.00 0.00 176.86 173.07 1du2 n ASN 32 N -1.77 -6.27 -4.94 9.48 2.85 -1.23 -5.02 115.26 108.35 1du2 n ASN 32 Ca 0.06 -0.50 -0.23 0.00 -0.11 0.00 0.00 54.58 53.80 1du2 n ASN 32 Cb 0.34 -4.65 0.05 0.00 1.24 0.00 0.00 39.78 36.76 1du2 n ASN 32 CO 0.00 0.00 0.00 -0.04 -2.11 0.00 0.00 177.26 175.11 1du2 s MET 33 N -3.96 2.38 1.12 1.20 -1.94 -1.26 -5.10 119.30 111.74 1du2 s MET 33 Ca 0.32 -0.62 -0.19 0.00 -1.71 0.00 0.00 55.69 53.49 1du2 s MET 33 Cb -0.04 -2.37 0.27 0.00 2.01 0.00 0.00 34.83 34.69 1du2 s MET 33 CO 0.65 -0.92 1.24 -1.25 -0.01 0.00 0.00 175.02 174.72 1du2 s PRO 34 N -4.94 -0.65 -0.51 2.03 0.04 -1.26 -4.81 135.00 124.90 1du2 s PRO 34 Ca 0.59 -0.38 -0.03 0.00 0.04 0.00 0.00 61.00 61.21 1du2 s PRO 34 Cb -0.10 -1.69 -0.04 0.00 0.04 0.00 0.00 34.50 32.71 1du2 s PRO 34 CO 0.41 -3.28 1.68 0.28 0.04 0.00 0.00 177.00 176.13 1du2 n VAL 35 N -4.38 1.47 -4.16 -0.36 0.31 -1.26 -4.73 118.33 105.22 1du2 n VAL 35 Ca 0.16 -0.86 -0.14 0.00 -0.01 0.00 0.00 64.34 63.49 1du2 n VAL 35 Cb 0.60 -1.87 -0.11 0.00 -0.91 0.00 0.00 33.84 31.55 1du2 n VAL 35 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 1du2 s ILE 36 N 3.82 0.87 -0.19 2.52 1.01 -1.26 -5.05 121.20 122.91 1du2 s ILE 36 Ca 0.24 -1.56 0.02 0.00 0.00 0.00 0.00 60.65 59.36 1du2 s ILE 36 Cb 0.07 -1.26 -0.13 0.00 0.01 0.00 0.00 42.46 41.14 1du2 s ILE 36 CO -0.02 -0.54 -0.16 0.00 0.00 0.00 0.00 174.94 174.23 1du2 n ALA 37 N 0.68 1.58 0.21 9.38 0.00 -1.26 -4.15 120.51 126.95 1du2 n ALA 37 Ca -0.17 -0.85 0.13 0.00 0.00 0.00 0.00 53.44 52.54 1du2 n ALA 37 Cb 0.57 0.04 0.67 0.00 0.00 0.00 0.00 19.45 20.73 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 0.00 -0.04 0.00 4.57 -1.98 1.17 114.58 118.31 1du2 h GLU 38 Ca -0.44 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.74 1du2 h GLU 38 Cb 1.70 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 30.29 1du2 h GLU 38 CO -0.06 0.00 0.00 0.00 -1.18 0.00 0.00 179.01 177.77 1du2 n ALA 39 N -1.80 2.46 -0.01 2.92 0.00 -1.26 -3.50 120.51 119.33 1du2 n ALA 39 Ca -0.02 -0.67 -0.20 0.00 0.00 0.00 0.00 53.44 52.55 1du2 n ALA 39 Cb 0.12 -0.69 -0.14 0.00 0.00 0.00 0.00 19.45 18.75 1du2 n ALA 39 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1du2 n VAL 40 N 1.15 1.75 0.09 0.00 0.31 0.40 -3.58 118.33 118.45 1du2 n VAL 40 Ca 0.12 -0.66 -0.17 0.00 -0.01 0.00 0.00 64.34 63.62 1du2 n VAL 40 Cb 0.51 -1.66 -0.14 0.00 -0.91 0.00 0.00 33.84 31.64 1du2 n VAL 40 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 1du2 h GLU 41 N 0.06 0.30 -0.62 5.55 5.08 -1.63 -2.57 114.58 120.75 1du2 h GLU 41 Ca -0.43 -0.51 0.00 0.00 -1.00 0.00 0.00 59.36 57.42 1du2 h GLU 41 Cb 2.02 0.19 -0.03 0.00 0.50 0.00 0.00 28.75 31.43 1du2 h GLU 41 CO 0.07 1.20 0.39 -0.09 -1.00 0.00 0.00 179.01 179.59 1du2 h ARG 42 N 0.08 0.83 0.00 2.33 9.65 -1.74 -3.34 114.38 122.19 1du2 h ARG 42 Ca -0.20 -0.06 0.00 0.00 -1.10 0.00 0.00 59.98 58.62 1du2 h ARG 42 Cb 2.02 -0.18 0.00 0.00 -1.39 0.00 0.00 29.97 30.41 1du2 h ARG 42 CO 0.19 0.57 0.00 0.39 2.80 0.00 0.00 179.97 183.92 1du2 n GLU 43 N -4.42 0.00 -3.48 0.20 -0.58 -1.23 -5.00 120.64 106.13 1du2 n GLU 43 Ca 0.06 0.03 -0.05 0.00 -0.42 0.00 0.00 57.16 56.78 1du2 n GLU 43 Cb 0.06 -0.50 -0.06 0.00 -0.57 0.00 0.00 31.44 30.36 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 -0.06 0.43 -1.22 3.49 2.00 -0.97 -5.07 119.66 118.25 1du2 s GLN 44 Ca 0.00 0.98 -0.20 0.00 -2.00 0.00 0.00 55.36 54.14 1du2 s GLN 44 Cb 0.00 0.27 -0.02 0.00 0.80 0.00 0.00 33.01 34.06 1du2 s GLN 44 CO 0.00 -0.42 1.88 -0.35 -0.50 0.00 0.00 175.29 175.91 1du2 n PRO 45 N 5.40 2.36 0.05 1.67 -0.04 -1.23 -4.70 135.00 138.52 1du2 n PRO 45 Ca -0.06 -2.75 0.20 0.00 -0.04 0.00 0.00 63.50 60.84 1du2 n PRO 45 Cb 0.50 -3.51 0.57 0.00 -0.04 0.00 0.00 33.50 31.01 1du2 n PRO 45 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 1du2 h GLU 46 N 8.30 0.00 0.00 0.54 4.22 -1.84 2.85 114.58 128.65 1du2 h GLU 46 Ca 0.37 0.00 -0.11 0.00 0.08 0.00 0.00 59.36 59.69 1du2 h GLU 46 Cb 0.85 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.09 1du2 h GLU 46 CO 1.46 0.00 -0.54 1.12 -2.18 0.00 0.00 179.01 178.86 1du2 h HIS 47 N 0.00 0.00 -0.07 0.92 2.07 -1.85 -2.87 115.15 113.35 1du2 h HIS 47 Ca 0.24 0.00 -0.08 0.00 -2.85 0.00 0.00 60.37 57.68 1du2 h HIS 47 Cb 1.76 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 31.72 1du2 h HIS 47 CO 0.00 0.54 -0.34 -0.07 -3.07 0.00 0.00 177.93 175.00 1du2 h LEU 48 N 0.00 0.14 -1.02 6.12 -0.00 0.47 -2.58 115.31 118.45 1du2 h LEU 48 Ca -0.01 -0.05 0.23 0.00 -0.00 0.00 0.00 57.88 58.05 1du2 h LEU 48 Cb 1.13 -0.04 -0.12 0.00 -0.00 0.00 0.00 40.66 41.64 1du2 h LEU 48 CO 0.07 0.48 0.60 0.08 -0.00 0.00 0.00 178.44 179.67 1du2 h ARG 49 N 0.13 0.63 0.10 1.13 0.11 -1.38 1.87 114.38 116.97 1du2 h ARG 49 Ca 0.02 -0.04 -0.27 0.00 0.10 0.00 0.00 59.98 59.78 1du2 h ARG 49 Cb 0.66 -0.14 -0.01 0.00 1.11 0.00 0.00 29.97 31.59 1du2 h ARG 49 CO 0.05 0.41 -1.32 0.77 0.10 0.00 0.00 179.97 179.98 1du2 h SER 50 N 0.65 0.32 0.00 0.08 0.02 -1.63 0.11 113.55 113.10 1du2 h SER 50 Ca 0.62 -0.38 0.00 0.00 -0.84 0.00 0.00 61.79 61.19 1du2 h SER 50 Cb 1.11 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 63.55 1du2 h SER 50 CO -0.44 1.31 0.00 0.79 -1.14 0.00 0.00 176.83 177.35 1du2 n TRP 51 N -3.45 0.00 -0.05 3.45 8.01 0.71 0.06 117.44 126.17 1du2 n TRP 51 Ca -0.10 0.00 -0.07 0.00 -1.31 0.00 0.00 57.50 56.02 1du2 n TRP 51 Cb 1.02 0.00 -0.05 0.00 -2.01 0.00 0.00 31.31 30.27 1du2 n TRP 51 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 177.69 177.87 1du2 n PHE 52 N -0.99 0.00 0.92 -5.99 3.01 0.60 -4.59 117.46 110.42 1du2 n PHE 52 Ca 0.23 0.00 0.12 0.00 1.01 0.00 0.00 57.45 58.81 1du2 n PHE 52 Cb 0.11 -0.41 0.17 0.00 -0.01 0.00 0.00 39.48 39.34 1du2 n PHE 52 CO 0.00 0.00 0.00 -2.13 1.01 0.00 0.00 176.76 175.64 1du2 n ARG 53 N -2.78 2.29 -0.46 -1.08 0.00 0.02 -4.47 116.66 110.18 1du2 n ARG 53 Ca -0.19 -1.89 0.37 0.00 -0.00 0.00 0.00 57.85 56.14 1du2 n ARG 53 Cb 0.71 -1.47 0.59 0.00 0.00 0.00 0.00 32.46 32.29 1du2 n ARG 53 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.63 176.78 1du2 n GLU 54 N 1.24 -0.02 -1.82 -0.14 0.00 0.11 -3.36 120.64 116.66 1du2 n GLU 54 Ca 0.16 0.97 -0.20 0.00 0.00 0.00 0.00 57.16 58.08 1du2 n GLU 54 Cb 0.57 -2.02 -0.06 0.00 0.00 0.00 0.00 31.44 29.94 1du2 n GLU 54 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.13 178.16 1du2 s ARG 55 N -4.77 2.07 -0.15 3.44 1.81 -1.26 -2.31 118.95 117.78 1du2 s ARG 55 Ca -0.05 0.03 -0.00 0.00 -1.72 0.00 0.00 55.73 53.99 1du2 s ARG 55 Cb 0.24 -4.94 -0.00 0.00 -0.45 0.00 0.00 34.95 29.80 1du2 s ARG 55 CO 0.69 -3.95 0.12 -0.11 -0.68 0.00 0.00 175.30 171.36 1du2 n LEU 56 N 16.32 -2.29 -0.07 2.53 0.00 -1.24 -4.96 117.00 127.29 1du2 n LEU 56 Ca 0.43 -0.08 -0.07 0.00 0.00 0.00 0.00 56.01 56.30 1du2 n LEU 56 Cb 0.45 -0.83 -0.01 0.00 0.00 0.00 0.00 43.42 43.04 1du2 n LEU 56 CO 0.57 0.04 0.77 -0.29 0.00 0.00 0.00 177.39 178.48 1du2 h ILE 57 N -0.22 0.58 -3.43 1.96 2.10 -1.46 -3.48 117.51 113.56 1du2 h ILE 57 Ca -0.07 0.00 0.38 0.00 1.08 0.00 0.00 64.86 66.25 1du2 h ILE 57 Cb 1.04 0.58 -0.15 0.00 -1.09 0.00 0.00 36.82 37.20 1du2 h ILE 57 CO 0.06 0.00 -0.89 0.00 -1.08 0.00 0.00 178.15 176.24 1du2 n ALA 58 N -2.66 -3.85 -1.65 0.18 0.00 -1.26 -4.71 120.51 106.56 1du2 n ALA 58 Ca -0.00 0.70 -0.44 0.00 0.00 0.00 0.00 53.44 53.70 1du2 n ALA 58 Cb 0.22 -1.46 -0.01 0.00 0.00 0.00 0.00 19.45 18.20 1du2 n ALA 58 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1du2 n HIS 59 N -4.35 1.89 0.17 0.00 -0.00 -1.26 -4.79 115.22 106.88 1du2 n HIS 59 Ca -0.04 0.60 0.00 0.00 -0.00 0.00 0.00 57.72 58.29 1du2 n HIS 59 Cb 0.69 -2.36 0.00 0.00 -0.00 0.00 0.00 29.99 28.32 1du2 n HIS 59 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.34 176.88 1du2 n ARG 60 N 0.77 0.00 -1.28 -0.41 5.12 -1.26 -5.16 116.66 114.43 1du2 n ARG 60 Ca 0.07 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.99 1du2 n ARG 60 Cb 0.34 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.64 1du2 n ARG 60 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 1du2 n LEU 61 N -3.20 -3.88 -3.00 0.55 4.77 -1.26 -5.07 117.00 105.91 1du2 n LEU 61 Ca 0.00 2.32 0.04 0.00 -0.03 0.00 0.00 56.01 58.35 1du2 n LEU 61 Cb 0.00 -1.98 0.00 0.00 -2.33 0.00 0.00 43.42 39.11 1du2 n LEU 61 CO 0.00 -0.14 0.51 0.00 -1.33 0.00 0.00 177.39 176.43 1du2 s ALA 62 N -2.27 -4.24 -0.33 -1.18 0.00 -1.26 -5.12 121.76 107.36 1du2 s ALA 62 Ca 0.00 1.33 -0.01 0.00 0.00 0.00 0.00 51.96 53.28 1du2 s ALA 62 Cb 0.00 -2.92 0.11 0.00 0.00 0.00 0.00 23.12 20.32 1du2 s ALA 62 CO 0.00 -2.26 0.14 -1.54 0.00 0.00 0.00 175.76 172.10 1du2 s SER 63 N 2.57 3.69 0.00 0.00 1.04 -1.26 -4.98 113.70 114.76 1du2 s SER 63 Ca 0.23 -1.74 0.00 0.00 0.48 0.00 0.00 55.95 54.92 1du2 s SER 63 Cb 0.00 -0.67 0.00 0.00 0.10 0.00 0.00 66.02 65.45 1du2 s SER 63 CO -0.20 -0.39 0.00 0.52 0.98 0.00 0.00 173.24 174.15 1du2 n VAL 64 N 4.69 0.00 0.05 5.02 0.31 -1.09 -4.77 118.33 122.53 1du2 n VAL 64 Ca 0.00 0.00 -0.11 0.00 -0.01 0.00 0.00 64.34 64.23 1du2 n VAL 64 Cb 0.40 -0.43 -0.08 0.00 -0.91 0.00 0.00 33.84 32.83 1du2 n VAL 64 CO 0.00 0.00 0.00 0.78 -1.32 0.00 0.00 176.83 176.29 1du2 h ASN 65 N 0.00 -0.17 -5.73 4.52 4.21 -1.77 -3.49 115.58 113.15 1du2 h ASN 65 Ca 0.00 -0.36 -0.13 0.00 1.21 0.00 0.00 56.30 57.02 1du2 h ASN 65 Cb 0.00 0.04 0.00 0.00 -1.12 0.00 0.00 38.32 37.25 1du2 h ASN 65 CO 0.00 0.39 -0.36 0.18 -1.29 0.00 0.00 177.43 176.35 1du2 n LEU 66 N -4.91 -5.62 -4.65 1.61 7.99 -1.22 -4.88 117.00 105.31 1du2 n LEU 66 Ca -0.08 -0.22 -0.43 0.00 -0.01 0.00 0.00 56.01 55.28 1du2 n LEU 66 Cb 0.26 -2.87 -0.02 0.00 -0.11 0.00 0.00 43.42 40.68 1du2 n LEU 66 CO 0.25 -0.87 0.99 -0.44 -1.51 0.00 0.00 177.39 175.82 1du2 s SER 67 N -2.90 6.99 -0.03 -1.43 0.01 -1.26 -4.98 113.70 110.09 1du2 s SER 67 Ca 0.04 1.40 -0.29 0.00 1.31 0.00 0.00 55.95 58.41 1du2 s SER 67 Cb -0.01 -2.54 0.09 0.00 0.21 0.00 0.00 66.02 63.77 1du2 s SER 67 CO 0.79 -0.77 0.80 0.00 0.41 0.00 0.00 173.24 174.47 1du2 s ARG 68 N 3.46 0.92 -0.28 12.44 1.04 -1.26 -5.06 118.95 130.21 1du2 s ARG 68 Ca 0.48 -0.02 0.01 0.00 -1.04 0.00 0.00 55.73 55.17 1du2 s ARG 68 Cb -0.17 0.43 0.16 0.00 -2.04 0.00 0.00 34.95 33.33 1du2 s ARG 68 CO 0.12 -0.34 0.42 -1.17 -0.04 0.00 0.00 175.30 174.29 1du2 s LEU 69 N -1.72 -0.82 1.01 -1.89 2.96 -1.26 -5.16 118.68 111.81 1du2 s LEU 69 Ca -0.03 -0.24 -0.16 0.00 -0.22 0.00 0.00 54.13 53.48 1du2 s LEU 69 Cb -0.01 1.17 0.20 0.00 0.50 0.00 0.00 46.19 48.06 1du2 s LEU 69 CO -0.00 -0.34 1.19 -2.16 -1.32 0.00 0.00 176.35 173.71 1du2 s PRO 70 N 2.57 0.28 -0.19 0.98 0.04 -1.26 -5.09 135.00 132.32 1du2 s PRO 70 Ca 0.10 -0.04 -0.11 0.00 0.04 0.00 0.00 61.00 61.00 1du2 s PRO 70 Cb -0.13 -1.77 0.06 0.00 0.04 0.00 0.00 34.50 32.71 1du2 s PRO 70 CO -0.28 -2.72 0.46 1.52 0.04 0.00 0.00 177.00 176.03 1du2 s TYR 71 N -3.39 -0.68 0.00 0.56 1.13 -1.26 -5.14 117.35 108.57 1du2 s TYR 71 Ca 0.69 1.44 0.00 0.00 -1.41 0.00 0.00 57.07 57.79 1du2 s TYR 71 Cb -0.10 0.33 0.00 0.00 -1.10 0.00 0.00 41.96 41.09 1du2 s TYR 71 CO 0.54 -0.37 0.00 -1.91 -2.51 0.00 0.00 175.55 171.30 1du2 n GLU 72 N 4.19 0.00 -2.48 -3.49 4.07 -1.26 -5.15 120.64 116.53 1du2 n GLU 72 Ca -0.22 0.00 -0.41 0.00 -0.06 0.00 0.00 57.16 56.46 1du2 n GLU 72 Cb 0.56 0.00 -0.03 0.00 -0.06 0.00 0.00 31.44 31.91 1du2 n GLU 72 CO 0.00 0.00 0.00 -1.25 -0.06 0.00 0.00 177.13 175.82 1du2 s PRO 73 N 0.00 4.51 0.36 5.31 0.04 -1.26 -4.95 135.00 139.01 1du2 s PRO 73 Ca 0.00 1.73 -0.21 0.00 0.04 0.00 0.00 61.00 62.57 1du2 s PRO 73 Cb 0.00 -3.32 -0.15 0.00 0.04 0.00 0.00 34.50 31.08 1du2 s PRO 73 CO 0.00 -0.09 0.13 1.63 0.04 0.00 0.00 177.00 178.71 1du2 n LYS 74 N 3.13 0.00 -1.83 4.56 5.02 -1.26 -4.34 118.16 123.45 1du2 n LYS 74 Ca 0.06 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.35 1du2 n LYS 74 Cb 0.46 -0.93 0.00 0.00 -0.02 0.00 0.00 35.03 34.54 1du2 n LYS 74 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1du2 n LEU 75 N 2.15 -5.03 0.00 -0.35 4.77 -1.26 -5.34 117.00 111.93 1du2 n LEU 75 Ca 0.11 1.98 0.08 0.00 -0.03 0.00 0.00 56.01 58.15 1du2 n LEU 75 Cb 0.36 -2.50 0.49 0.00 -2.33 0.00 0.00 43.42 39.45 1du2 n LEU 75 CO 0.51 -1.79 0.70 2.29 -1.33 0.00 0.00 177.39 177.77