#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1du2 h LEU 2 N 0.00 -0.25 0.00 4.03 7.12 -2.12 -3.50 115.31 120.60 1du2 h LEU 2 Ca 0.00 0.01 0.00 0.00 0.13 0.00 0.00 57.88 58.02 1du2 h LEU 2 Cb 0.00 0.06 0.00 0.00 -0.53 0.00 0.00 40.66 40.19 1du2 h LEU 2 CO 0.00 -0.09 0.00 0.29 -0.13 0.00 0.00 178.44 178.51 1du2 n LYS 3 N -3.24 0.00 -2.30 1.25 4.76 -1.26 -5.09 118.16 112.29 1du2 n LYS 3 Ca -0.04 0.00 -0.00 0.00 -2.87 0.00 0.00 58.31 55.40 1du2 n LYS 3 Cb 0.11 0.00 -0.00 0.00 -1.84 0.00 0.00 35.03 33.30 1du2 n LYS 3 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 1du2 n ASN 4 N -0.55 -5.95 -3.60 4.39 5.15 -1.26 -5.08 115.26 108.36 1du2 n ASN 4 Ca 0.00 0.95 0.01 0.00 -0.60 0.00 0.00 54.58 54.93 1du2 n ASN 4 Cb 0.00 -3.85 -0.01 0.00 -0.53 0.00 0.00 39.78 35.39 1du2 n ASN 4 CO 0.00 0.00 0.00 -0.22 1.40 0.00 0.00 177.26 178.44 1du2 s LEU 5 N -1.07 -0.02 -0.02 1.20 2.96 -1.26 -4.90 118.68 115.57 1du2 s LEU 5 Ca -0.00 -0.01 -0.01 0.00 -0.22 0.00 0.00 54.13 53.88 1du2 s LEU 5 Cb 0.00 1.07 0.01 0.00 0.50 0.00 0.00 46.19 47.77 1du2 s LEU 5 CO 0.52 -0.05 0.03 0.00 -1.32 0.00 0.00 176.35 175.52 1du2 n ALA 6 N -0.27 -2.97 0.10 5.97 0.00 -1.26 -4.96 120.51 117.13 1du2 n ALA 6 Ca -0.03 0.35 -0.23 0.00 0.00 0.00 0.00 53.44 53.53 1du2 n ALA 6 Cb 0.60 -0.74 -0.14 0.00 0.00 0.00 0.00 19.45 19.18 1du2 n ALA 6 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1du2 h LYS 7 N 0.98 0.62 -5.18 0.00 6.56 -2.07 -3.49 116.57 113.99 1du2 h LYS 7 Ca -0.07 -0.86 0.00 0.00 -1.06 0.00 0.00 60.65 58.66 1du2 h LYS 7 Cb 0.15 0.29 0.00 0.00 -0.57 0.00 0.00 32.23 32.11 1du2 h LYS 7 CO 0.00 1.40 -0.31 1.28 -2.06 0.00 0.00 179.45 179.76 1du2 n LEU 8 N -3.78 -7.24 -2.69 2.94 7.99 -1.26 -5.00 117.00 107.97 1du2 n LEU 8 Ca -0.14 0.31 -0.06 0.00 -0.01 0.00 0.00 56.01 56.11 1du2 n LEU 8 Cb 1.02 -3.24 0.07 0.00 -0.11 0.00 0.00 43.42 41.16 1du2 n LEU 8 CO 0.59 -1.83 0.55 0.47 -1.51 0.00 0.00 177.39 175.66 1du2 n ASP 9 N -0.80 -1.63 0.00 -1.43 9.92 -1.26 -4.95 116.55 116.40 1du2 n ASP 9 Ca 0.07 -2.22 0.00 0.00 -0.53 0.00 0.00 54.79 52.11 1du2 n ASP 9 Cb 0.46 1.08 0.00 0.00 -0.64 0.00 0.00 41.12 42.01 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 -0.46 2.68 -0.18 -1.24 7.27 -1.26 -4.65 117.38 119.54 1du2 n GLN 10 Ca -0.11 -0.27 -0.00 0.00 0.07 0.00 0.00 57.00 56.69 1du2 n GLN 10 Cb 0.76 -0.76 0.24 0.00 2.41 0.00 0.00 30.24 32.89 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 0.00 1.19 0.00 1.69 2.02 -1.92 -0.69 112.91 115.21 1du2 h THR 11 Ca 0.00 -0.46 -0.05 0.00 0.77 0.00 0.00 66.41 66.67 1du2 h THR 11 Cb 0.00 0.27 -0.01 0.00 -1.74 0.00 0.00 68.15 66.68 1du2 h THR 11 CO 0.00 0.21 -0.23 -0.08 0.37 0.00 0.00 175.52 175.79 1du2 h GLU 12 N 0.92 0.00 -0.71 6.66 4.81 -1.90 -2.38 114.58 121.99 1du2 h GLU 12 Ca 0.24 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.45 1du2 h GLU 12 Cb -0.00 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.34 1du2 h GLU 12 CO -0.04 0.23 0.38 1.98 -0.73 0.00 0.00 179.01 180.83 1du2 h MET 13 N 0.00 0.98 0.00 1.92 4.05 -1.42 1.48 114.93 121.93 1du2 h MET 13 Ca -0.00 -0.11 -0.12 0.00 -0.28 0.00 0.00 59.70 59.19 1du2 h MET 13 Cb 0.50 -0.19 -0.02 0.00 -0.80 0.00 0.00 31.60 31.09 1du2 h MET 13 CO 0.03 0.72 -0.59 0.22 0.23 0.00 0.00 176.91 177.52 1du2 h ASP 14 N 0.98 0.00 0.32 1.39 1.82 -1.41 -3.21 116.42 116.30 1du2 h ASP 14 Ca 0.25 0.00 -0.33 0.00 -0.39 0.00 0.00 57.03 56.56 1du2 h ASP 14 Cb 0.03 0.00 0.03 0.00 0.68 0.00 0.00 39.33 40.08 1du2 h ASP 14 CO -0.04 0.59 -1.45 0.11 -1.61 0.00 0.00 179.24 176.84 1du2 h LYS 15 N 0.00 0.51 0.00 0.28 6.56 -0.80 -3.04 116.57 120.08 1du2 h LYS 15 Ca -0.01 -0.87 0.00 0.00 -1.06 0.00 0.00 60.65 58.71 1du2 h LYS 15 Cb 1.45 0.32 0.00 0.00 -0.57 0.00 0.00 32.23 33.43 1du2 h LYS 15 CO 0.08 1.42 0.00 1.55 -2.06 0.00 0.00 179.45 180.43 1du2 n VAL 16 N -3.69 1.02 -0.04 0.50 3.14 0.50 0.80 118.33 120.54 1du2 n VAL 16 Ca -0.16 0.71 -0.02 0.00 -2.96 0.00 0.00 64.34 61.92 1du2 n VAL 16 Cb 1.10 -1.71 -0.01 0.00 -1.06 0.00 0.00 33.84 32.17 1du2 n VAL 16 CO 0.00 0.00 0.00 -1.13 -6.46 0.00 0.00 176.83 169.24 1du2 h ASN 17 N 0.00 0.00 0.29 6.55 -1.24 -1.55 -3.34 115.58 116.29 1du2 h ASN 17 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.01 1du2 h ASN 17 Cb 0.02 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.07 1du2 h ASN 17 CO 0.00 0.45 0.00 0.52 -1.29 0.00 0.00 177.43 177.11 1du2 n VAL 18 N -3.97 1.30 -0.30 2.57 0.31 -1.02 -2.72 118.33 114.50 1du2 n VAL 18 Ca -0.03 0.41 0.13 0.00 -0.01 0.00 0.00 64.34 64.85 1du2 n VAL 18 Cb 0.10 -1.32 0.29 0.00 -0.91 0.00 0.00 33.84 32.00 1du2 n VAL 18 CO 0.00 0.00 0.00 -2.24 -1.32 0.00 0.00 176.83 173.27 1du2 h ASP 19 N 0.00 -0.11 -1.00 4.52 2.03 0.27 1.60 116.42 123.73 1du2 h ASP 19 Ca 0.00 0.22 0.06 0.00 -0.73 0.00 0.00 57.03 56.58 1du2 h ASP 19 Cb 0.15 0.32 -0.07 0.00 -0.83 0.00 0.00 39.33 38.90 1du2 h ASP 19 CO 0.00 -0.21 0.64 0.25 -1.03 0.00 0.00 179.24 178.90 1du2 h LEU 20 N 0.15 1.03 -0.94 0.15 6.46 -1.75 -1.94 115.31 118.47 1du2 h LEU 20 Ca 0.56 0.01 0.17 0.00 -0.12 0.00 0.00 57.88 58.50 1du2 h LEU 20 Cb 1.15 -0.21 -0.17 0.00 -0.73 0.00 0.00 40.66 40.69 1du2 h LEU 20 CO -0.71 0.66 -0.29 0.00 -0.62 0.00 0.00 178.44 177.48 1du2 h ALA 21 N 1.46 0.42 -0.97 1.25 0.00 0.21 -3.45 119.26 118.19 1du2 h ALA 21 Ca 0.43 0.32 0.00 0.00 0.00 0.00 0.00 54.91 55.66 1du2 h ALA 21 Cb 0.16 0.82 0.00 0.00 0.00 0.00 0.00 17.79 18.77 1du2 h ALA 21 CO -0.17 -0.49 0.00 0.00 0.00 0.00 0.00 179.25 178.60 1du2 n ALA 22 N -3.50 0.00 -1.52 0.00 0.00 -0.73 -5.01 120.51 109.75 1du2 n ALA 22 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.57 1du2 n ALA 22 Cb 0.44 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.89 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 4.29 -2.28 -2.71 0.00 0.00 -1.26 -4.98 120.51 113.57 1du2 n ALA 23 Ca 0.00 0.36 -0.07 0.00 0.00 0.00 0.00 53.44 53.72 1du2 n ALA 23 Cb 0.00 -1.22 0.11 0.00 0.00 0.00 0.00 19.45 18.34 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 0.79 1.03 0.01 0.00 0.00 -1.26 -4.68 105.19 101.07 1du2 n GLY 24 Ca 0.00 -0.07 -0.01 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.33 0.11 -0.50 1.61 0.31 -1.26 -4.19 118.33 114.08 1du2 n VAL 25 Ca -0.01 -0.05 0.41 0.00 -0.01 0.00 0.00 64.34 64.67 1du2 n VAL 25 Cb 0.80 -0.71 0.67 0.00 -0.91 0.00 0.00 33.84 33.69 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 -2.38 1.40 -2.89 3.52 0.00 -1.26 -2.35 120.51 116.56 1du2 n ALA 26 Ca -0.03 0.76 -0.13 0.00 0.00 0.00 0.00 53.44 54.04 1du2 n ALA 26 Cb 0.54 -1.01 0.01 0.00 0.00 0.00 0.00 19.45 18.99 1du2 n ALA 26 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.50 179.47 1du2 n PHE 27 N -4.37 -2.43 -1.87 0.00 1.16 -1.26 -4.48 117.46 104.20 1du2 n PHE 27 Ca 0.39 -2.31 0.00 0.00 -1.87 0.00 0.00 57.45 53.66 1du2 n PHE 27 Cb 1.57 0.97 0.00 0.00 -1.61 0.00 0.00 39.48 40.41 1du2 n PHE 27 CO 0.00 0.00 0.00 1.17 -1.87 0.00 0.00 176.76 176.06 1du2 n LYS 28 N 1.63 0.00 0.00 3.97 3.00 -0.99 -4.83 118.16 120.93 1du2 n LYS 28 Ca 0.13 -0.62 0.14 0.00 -0.00 0.00 0.00 58.31 57.95 1du2 n LYS 28 Cb 0.60 -0.34 0.81 0.00 0.00 0.00 0.00 35.03 36.09 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 0.00 0.96 -0.34 1.64 0.00 -1.26 -3.78 120.64 117.86 1du2 n GLU 29 Ca 0.00 0.00 0.27 0.00 0.00 0.00 0.00 57.16 57.43 1du2 n GLU 29 Cb 0.61 -1.44 0.58 0.00 0.00 0.00 0.00 31.44 31.19 1du2 n GLU 29 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1du2 h ARG 30 N 0.00 0.26 -0.89 3.44 2.47 -1.96 1.46 114.38 119.16 1du2 h ARG 30 Ca 0.00 -0.02 -0.37 0.00 -1.26 0.00 0.00 59.98 58.33 1du2 h ARG 30 Cb 0.00 -0.06 -0.22 0.00 -1.65 0.00 0.00 29.97 28.04 1du2 h ARG 30 CO 0.00 0.17 0.47 2.48 0.56 0.00 0.00 179.97 183.65 1du2 n TYR 31 N -4.54 2.74 -3.29 3.04 4.11 -1.25 -4.91 117.16 113.06 1du2 n TYR 31 Ca 0.27 -1.52 -0.14 0.00 -0.00 0.00 0.00 57.90 56.51 1du2 n TYR 31 Cb 1.03 -0.82 0.04 0.00 -0.00 0.00 0.00 39.34 39.59 1du2 n TYR 31 CO 0.00 0.00 0.00 -1.71 -0.00 0.00 0.00 176.86 175.15 1du2 n ASN 32 N -0.65 -6.70 -4.73 9.48 2.85 0.50 -4.93 115.26 111.07 1du2 n ASN 32 Ca 0.50 -0.58 -0.41 0.00 -0.11 0.00 0.00 54.58 53.98 1du2 n ASN 32 Cb 1.52 -4.77 -0.04 0.00 1.24 0.00 0.00 39.78 37.73 1du2 n ASN 32 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1du2 s MET 33 N -4.26 4.65 1.05 1.20 0.23 -1.22 -5.05 119.30 115.90 1du2 s MET 33 Ca 0.30 1.52 -0.17 0.00 -1.03 0.00 0.00 55.69 56.31 1du2 s MET 33 Cb -0.06 -3.37 0.22 0.00 -1.53 0.00 0.00 34.83 30.10 1du2 s MET 33 CO 0.77 0.13 1.20 -1.25 -2.03 0.00 0.00 175.02 173.85 1du2 s PRO 34 N 0.10 -0.00 -0.47 3.16 0.04 -1.26 -4.83 135.00 131.75 1du2 s PRO 34 Ca 0.49 -0.15 -0.04 0.00 0.04 0.00 0.00 61.00 61.34 1du2 s PRO 34 Cb -0.25 -1.75 -0.07 0.00 0.04 0.00 0.00 34.50 32.48 1du2 s PRO 34 CO 0.31 -2.88 1.90 1.55 0.04 0.00 0.00 177.00 177.91 1du2 n VAL 35 N -4.16 1.74 -3.94 -0.36 3.14 -1.26 -4.70 118.33 108.80 1du2 n VAL 35 Ca 0.13 -0.99 -0.09 0.00 -2.96 0.00 0.00 64.34 60.43 1du2 n VAL 35 Cb 0.59 -1.90 -0.08 0.00 -1.06 0.00 0.00 33.84 31.39 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 3.12 0.15 -0.17 1.55 1.01 -1.26 -5.06 121.20 120.54 1du2 s ILE 36 Ca 0.31 -1.39 0.12 0.00 0.00 0.00 0.00 60.65 59.69 1du2 s ILE 36 Cb 0.11 -1.49 -0.18 0.00 0.01 0.00 0.00 42.46 40.90 1du2 s ILE 36 CO -0.02 -0.67 0.01 0.00 0.00 0.00 0.00 174.94 174.26 1du2 n ALA 37 N -0.05 1.59 -0.05 9.38 0.00 -1.26 -4.30 120.51 125.83 1du2 n ALA 37 Ca -0.13 -1.02 -0.11 0.00 0.00 0.00 0.00 53.44 52.17 1du2 n ALA 37 Cb 0.62 -0.07 -0.06 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 0.26 -0.04 0.00 4.81 -1.97 -1.82 114.58 115.81 1du2 h GLU 38 Ca -0.44 -0.06 0.01 0.00 -0.13 0.00 0.00 59.36 58.74 1du2 h GLU 38 Cb 1.93 -0.03 -0.00 0.00 0.63 0.00 0.00 28.75 31.28 1du2 h GLU 38 CO 0.00 0.41 0.11 0.00 -0.73 0.00 0.00 179.01 178.80 1du2 h ALA 39 N 0.83 1.33 -0.01 2.92 0.00 -1.95 0.95 119.26 123.34 1du2 h ALA 39 Ca 0.05 -0.00 -0.18 0.00 0.00 0.00 0.00 54.91 54.78 1du2 h ALA 39 Cb 0.27 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1du2 h ALA 39 CO 0.00 -0.13 -0.80 0.28 0.00 0.00 0.00 179.25 178.60 1du2 h VAL 40 N 0.00 1.47 0.11 0.00 2.07 -1.53 -0.40 116.25 117.97 1du2 h VAL 40 Ca 0.02 -2.46 -0.34 0.00 0.82 0.00 0.00 66.70 64.73 1du2 h VAL 40 Cb 0.24 2.35 -0.02 0.00 -1.52 0.00 0.00 31.29 32.34 1du2 h VAL 40 CO -0.00 0.72 -1.86 -0.33 0.02 0.00 0.00 177.57 176.11 1du2 h GLU 41 N 0.11 0.23 -0.30 1.57 5.08 0.10 -2.27 114.58 119.09 1du2 h GLU 41 Ca -0.03 -0.39 -0.11 0.00 -1.00 0.00 0.00 59.36 57.83 1du2 h GLU 41 Cb 1.39 0.14 -0.01 0.00 0.50 0.00 0.00 28.75 30.78 1du2 h GLU 41 CO 0.12 1.07 -0.28 0.07 -1.00 0.00 0.00 179.01 179.00 1du2 h ARG 42 N 0.06 0.62 0.00 2.33 0.11 0.62 -3.36 114.38 114.75 1du2 h ARG 42 Ca -0.37 -0.26 0.00 0.00 0.10 0.00 0.00 59.98 59.46 1du2 h ARG 42 Cb 2.04 -0.02 0.00 0.00 1.11 0.00 0.00 29.97 33.09 1du2 h ARG 42 CO 0.11 0.83 0.00 0.39 0.10 0.00 0.00 179.97 181.39 1du2 n GLU 43 N -4.10 0.00 -3.32 0.08 -0.58 -0.16 -4.96 120.64 107.60 1du2 n GLU 43 Ca -0.00 0.31 -0.07 0.00 -0.42 0.00 0.00 57.16 56.97 1du2 n GLU 43 Cb 0.44 -0.79 -0.07 0.00 -0.57 0.00 0.00 31.44 30.45 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 -0.72 0.38 0.12 3.49 0.74 -0.91 -5.07 119.66 117.69 1du2 s GLN 44 Ca 0.00 0.58 -0.30 0.00 0.05 0.00 0.00 55.36 55.69 1du2 s GLN 44 Cb 0.00 -0.34 -0.07 0.00 1.10 0.00 0.00 33.01 33.70 1du2 s GLN 44 CO 0.00 -0.66 1.14 -1.25 -0.55 0.00 0.00 175.29 173.98 1du2 s PRO 45 N 2.59 4.51 0.03 1.67 0.04 -0.91 -4.53 135.00 138.40 1du2 s PRO 45 Ca 0.14 1.74 -0.14 0.00 0.04 0.00 0.00 61.00 62.77 1du2 s PRO 45 Cb -0.15 -3.31 -0.07 0.00 0.04 0.00 0.00 34.50 31.00 1du2 s PRO 45 CO -0.17 -0.09 1.22 1.49 0.04 0.00 0.00 177.00 179.49 1du2 h GLU 46 N 5.94 -0.44 -0.81 4.56 4.57 -1.81 -2.93 114.58 123.67 1du2 h GLU 46 Ca -0.43 0.03 0.12 0.00 -1.18 0.00 0.00 59.36 57.90 1du2 h GLU 46 Cb 1.21 0.10 -0.13 0.00 -0.16 0.00 0.00 28.75 29.78 1du2 h GLU 46 CO 0.76 -0.30 -0.33 -2.39 -1.18 0.00 0.00 179.01 175.58 1du2 n HIS 47 N -3.47 0.00 -0.55 0.92 1.44 -1.26 0.36 115.22 112.66 1du2 n HIS 47 Ca -0.06 1.00 0.44 0.00 -2.01 0.00 0.00 57.72 57.09 1du2 n HIS 47 Cb 0.19 -0.79 0.70 0.00 0.12 0.00 0.00 29.99 30.21 1du2 n HIS 47 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 1du2 n LEU 48 N -5.18 0.10 -0.26 2.39 7.99 -1.11 0.24 117.00 121.17 1du2 n LEU 48 Ca 0.08 1.12 0.06 0.00 -0.01 0.00 0.00 56.01 57.26 1du2 n LEU 48 Cb 0.32 -0.55 0.20 0.00 -0.11 0.00 0.00 43.42 43.27 1du2 n LEU 48 CO -0.11 -1.18 1.01 0.08 -1.51 0.00 0.00 177.39 175.68 1du2 h ARG 49 N 0.00 0.41 0.00 3.23 0.11 0.63 1.88 114.38 120.63 1du2 h ARG 49 Ca 0.85 -0.02 -0.35 0.00 0.10 0.00 0.00 59.98 60.56 1du2 h ARG 49 Cb 3.07 -0.09 -0.07 0.00 1.11 0.00 0.00 29.97 34.00 1du2 h ARG 49 CO -0.23 0.27 -2.32 0.45 0.10 0.00 0.00 179.97 178.24 1du2 n SER 50 N -5.02 0.07 0.26 0.08 2.88 0.65 -2.40 113.62 110.13 1du2 n SER 50 Ca 0.15 0.03 0.15 0.00 -1.33 0.00 0.00 58.87 57.87 1du2 n SER 50 Cb 0.44 0.96 0.67 0.00 -0.75 0.00 0.00 64.21 65.53 1du2 n SER 50 CO 0.00 0.00 0.00 -0.50 -1.23 0.00 0.00 175.04 173.31 1du2 h TRP 51 N 0.00 0.00 0.01 0.66 6.55 0.55 1.57 115.95 125.29 1du2 h TRP 51 Ca -0.51 0.00 -0.41 0.00 0.95 0.00 0.00 58.89 58.92 1du2 h TRP 51 Cb 2.18 0.00 -0.06 0.00 -0.86 0.00 0.00 29.16 30.42 1du2 h TRP 51 CO 0.00 0.09 -2.35 0.34 -1.05 0.00 0.00 178.44 175.47 1du2 n PHE 52 N -3.28 0.21 1.50 0.49 -0.00 0.63 -4.31 117.46 112.70 1du2 n PHE 52 Ca -0.00 0.07 0.11 0.00 -0.00 0.00 0.00 57.45 57.63 1du2 n PHE 52 Cb 0.31 -1.02 0.49 0.00 -0.00 0.00 0.00 39.48 39.25 1du2 n PHE 52 CO 0.00 0.00 0.00 -2.13 -0.00 0.00 0.00 176.76 174.63 1du2 n ARG 53 N -3.88 1.50 -0.42 -4.13 0.63 -1.01 -4.28 116.66 105.08 1du2 n ARG 53 Ca -0.48 -0.75 0.33 0.00 -0.92 0.00 0.00 57.85 56.03 1du2 n ARG 53 Cb 0.91 -1.40 0.54 0.00 0.45 0.00 0.00 32.46 32.96 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 -0.05 -0.02 -2.56 -0.14 -0.00 0.54 -3.61 120.64 114.81 1du2 n GLU 54 Ca 0.17 0.86 -0.43 0.00 -0.00 0.00 0.00 57.16 57.76 1du2 n GLU 54 Cb 0.26 -1.81 -0.02 0.00 -0.00 0.00 0.00 31.44 29.87 1du2 n GLU 54 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.13 177.63 1du2 s ARG 55 N -4.61 3.63 -0.64 3.44 3.52 -1.26 -3.78 118.95 119.24 1du2 s ARG 55 Ca -0.05 0.51 -0.03 0.00 -0.13 0.00 0.00 55.73 56.04 1du2 s ARG 55 Cb 0.21 -3.96 -0.03 0.00 -1.56 0.00 0.00 34.95 29.61 1du2 s ARG 55 CO 0.62 -1.51 0.58 1.28 -0.81 0.00 0.00 175.30 175.45 1du2 n LEU 56 N 8.20 -4.75 -0.16 -0.88 4.77 -1.24 -4.90 117.00 118.04 1du2 n LEU 56 Ca 0.12 -0.34 0.14 0.00 -0.03 0.00 0.00 56.01 55.90 1du2 n LEU 56 Cb 0.49 -2.43 0.75 0.00 -2.33 0.00 0.00 43.42 39.90 1du2 n LEU 56 CO 0.72 -0.21 0.99 0.00 -1.33 0.00 0.00 177.39 177.56 1du2 n ILE 57 N -2.29 0.01 -0.34 -0.08 0.13 -1.24 -4.08 119.36 111.47 1du2 n ILE 57 Ca -0.03 -0.09 0.31 0.00 -1.10 0.00 0.00 62.75 61.84 1du2 n ILE 57 Cb 0.55 -0.16 0.55 0.00 -0.84 0.00 0.00 39.64 39.75 1du2 n ILE 57 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 1du2 n ALA 58 N -0.58 1.03 -2.82 1.51 0.00 -1.26 -3.95 120.51 114.45 1du2 n ALA 58 Ca 0.21 0.83 -0.36 0.00 0.00 0.00 0.00 53.44 54.12 1du2 n ALA 58 Cb 0.18 -0.90 -0.07 0.00 0.00 0.00 0.00 19.45 18.65 1du2 n ALA 58 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 1du2 s HIS 59 N -5.19 3.46 -0.30 0.00 0.09 -1.26 -5.07 115.29 107.02 1du2 s HIS 59 Ca -0.07 0.40 -0.17 0.00 -0.00 0.00 0.00 55.06 55.21 1du2 s HIS 59 Cb 0.28 -1.95 0.21 0.00 -0.00 0.00 0.00 32.58 31.12 1du2 s HIS 59 CO 0.70 0.58 1.27 -0.98 -0.00 0.00 0.00 174.74 176.30 1du2 s ARG 60 N -0.69 0.05 0.17 1.40 1.70 -1.25 -5.10 118.95 115.22 1du2 s ARG 60 Ca 0.13 0.09 -0.18 0.00 -0.47 0.00 0.00 55.73 55.30 1du2 s ARG 60 Cb -0.12 0.03 0.04 0.00 -0.57 0.00 0.00 34.95 34.33 1du2 s ARG 60 CO 0.03 -0.01 0.50 -0.48 -1.08 0.00 0.00 175.30 174.25 1du2 s LEU 61 N 1.39 0.07 0.01 -1.89 -0.00 -1.26 -5.07 118.68 111.93 1du2 s LEU 61 Ca -0.05 -0.35 0.00 0.00 -0.00 0.00 0.00 54.13 53.72 1du2 s LEU 61 Cb -0.02 2.13 0.00 0.00 -0.00 0.00 0.00 46.19 48.30 1du2 s LEU 61 CO -0.12 -0.98 0.00 0.00 -0.00 0.00 0.00 176.35 175.25 1du2 n ALA 62 N -0.31 0.00 -2.70 1.48 0.00 -1.26 -5.09 120.51 112.64 1du2 n ALA 62 Ca -0.13 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.27 1du2 n ALA 62 Cb 0.63 0.00 0.01 0.00 0.00 0.00 0.00 19.45 20.09 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 -2.02 -6.95 0.00 0.00 2.88 -1.26 -5.05 113.62 101.22 1du2 n SER 63 Ca 0.00 0.26 0.00 0.00 -1.33 0.00 0.00 58.87 57.80 1du2 n SER 63 Cb 0.00 -4.66 0.00 0.00 -0.75 0.00 0.00 64.21 58.80 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 -0.82 0.00 -0.05 2.46 0.31 -1.26 -5.02 118.33 113.96 1du2 n VAL 64 Ca 0.06 0.00 -0.01 0.00 -0.01 0.00 0.00 64.34 64.38 1du2 n VAL 64 Cb 0.43 -0.02 -0.00 0.00 -0.91 0.00 0.00 33.84 33.34 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 0.00 -3.12 4.52 4.21 -1.90 -3.51 115.58 115.78 1du2 h ASN 65 Ca 0.00 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.51 1du2 h ASN 65 Cb 0.00 0.00 -0.00 0.00 -1.12 0.00 0.00 38.32 37.20 1du2 h ASN 65 CO 0.00 0.48 -0.08 -0.11 -1.29 0.00 0.00 177.43 176.44 1du2 n LEU 66 N -4.27 -2.30 -4.89 1.61 0.00 -1.26 -5.07 117.00 100.83 1du2 n LEU 66 Ca -0.02 0.11 -0.21 0.00 0.00 0.00 0.00 56.01 55.88 1du2 n LEU 66 Cb 0.07 -1.13 -0.03 0.00 0.00 0.00 0.00 43.42 42.33 1du2 n LEU 66 CO 0.03 -0.21 -0.11 -0.44 0.00 0.00 0.00 177.39 176.66 1du2 s SER 67 N -0.07 5.87 -0.08 1.96 0.01 -1.26 -5.10 113.70 115.03 1du2 s SER 67 Ca -0.01 -0.11 0.03 0.00 1.31 0.00 0.00 55.95 57.17 1du2 s SER 67 Cb 0.00 -1.60 -0.02 0.00 0.21 0.00 0.00 66.02 64.61 1du2 s SER 67 CO 0.05 -0.05 -0.18 -0.13 0.41 0.00 0.00 173.24 173.34 1du2 s ARG 68 N -3.90 2.82 -0.15 12.44 0.52 -1.26 -5.11 118.95 124.30 1du2 s ARG 68 Ca 0.33 -0.77 -0.28 0.00 -0.52 0.00 0.00 55.73 54.49 1du2 s ARG 68 Cb -0.08 -2.39 0.08 0.00 0.52 0.00 0.00 34.95 33.08 1du2 s ARG 68 CO 0.27 0.40 0.74 -0.48 0.02 0.00 0.00 175.30 176.25 1du2 s LEU 69 N -0.17 -0.66 0.00 2.53 2.34 -1.26 -5.18 118.68 116.28 1du2 s LEU 69 Ca -0.01 0.96 -0.16 0.00 0.06 0.00 0.00 54.13 54.98 1du2 s LEU 69 Cb -0.14 2.43 0.22 0.00 -0.56 0.00 0.00 46.19 48.14 1du2 s LEU 69 CO 0.03 -0.44 1.02 -0.81 -1.06 0.00 0.00 176.35 175.10 1du2 n PRO 70 N 1.59 -1.93 0.00 1.48 -0.04 -1.26 -5.04 135.00 129.80 1du2 n PRO 70 Ca -0.16 -1.60 0.00 0.00 -0.04 0.00 0.00 63.50 61.70 1du2 n PRO 70 Cb 0.56 -1.26 0.00 0.00 -0.04 0.00 0.00 33.50 32.76 1du2 n PRO 70 CO 0.00 0.00 0.00 2.48 -0.04 0.00 0.00 175.50 177.94 1du2 n TYR 71 N -4.00 0.00 -2.82 0.54 4.11 -1.26 -5.12 117.16 108.61 1du2 n TYR 71 Ca 0.13 0.00 -0.01 0.00 -0.00 0.00 0.00 57.90 58.02 1du2 n TYR 71 Cb 0.49 0.17 -0.01 0.00 -0.00 0.00 0.00 39.34 39.99 1du2 n TYR 71 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.86 177.25 1du2 n GLU 72 N -2.43 -2.96 0.09 -3.48 1.02 -1.26 -4.90 120.64 106.71 1du2 n GLU 72 Ca 0.00 2.43 -0.07 0.00 -0.02 0.00 0.00 57.16 59.50 1du2 n GLU 72 Cb 0.22 -4.03 0.03 0.00 -0.02 0.00 0.00 31.44 27.65 1du2 n GLU 72 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 1du2 h PRO 73 N 3.64 0.19 0.00 3.49 0.13 -2.07 -3.48 132.00 133.89 1du2 h PRO 73 Ca -0.14 -0.19 0.00 0.00 -0.87 0.00 0.00 66.00 64.80 1du2 h PRO 73 Cb 0.52 0.05 0.00 0.00 0.13 0.00 0.00 31.00 31.70 1du2 h PRO 73 CO 0.05 0.90 0.00 0.36 -0.23 0.00 0.00 178.00 179.07 1du2 n LYS 74 N -3.70 0.00 -2.11 0.86 2.85 -1.26 -4.97 118.16 109.83 1du2 n LYS 74 Ca -0.03 0.00 -0.01 0.00 -1.05 0.00 0.00 58.31 57.21 1du2 n LYS 74 Cb 0.76 0.00 -0.01 0.00 -0.65 0.00 0.00 35.03 35.13 1du2 n LYS 74 CO 0.00 0.00 0.00 -0.11 -0.05 0.00 0.00 177.40 177.24 1du2 n LEU 75 N 0.00 -4.71 0.00 -5.58 0.00 -1.26 -5.30 117.00 100.15 1du2 n LEU 75 Ca 0.00 0.98 0.00 0.00 0.00 0.00 0.00 56.01 56.99 1du2 n LEU 75 Cb 0.00 -2.23 0.00 0.00 0.00 0.00 0.00 43.42 41.19 1du2 n LEU 75 CO 0.00 -1.91 0.16 1.17 0.00 0.00 0.00 177.39 176.81