#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 -0.72 0.02 4.03 2.96 -1.26 -5.17 118.68 118.54 1du2 s LEU 2 Ca 0.00 1.24 -0.00 0.00 -0.22 0.00 0.00 54.13 55.15 1du2 s LEU 2 Cb 0.00 2.19 -0.02 0.00 0.50 0.00 0.00 46.19 48.86 1du2 s LEU 2 CO 0.00 -0.20 -0.02 -1.59 -1.32 0.00 0.00 176.35 173.21 1du2 s LYS 3 N 0.96 0.32 -0.97 1.98 -2.85 -1.26 -5.05 119.74 112.87 1du2 s LYS 3 Ca -0.05 -0.60 -0.25 0.00 -1.00 0.00 0.00 55.97 54.07 1du2 s LYS 3 Cb -0.05 0.12 -0.18 0.00 -2.06 0.00 0.00 37.83 35.66 1du2 s LYS 3 CO -0.11 -0.05 1.95 0.09 0.10 0.00 0.00 175.35 177.33 1du2 n ASN 4 N 1.58 2.23 -3.25 0.03 3.02 -1.26 -4.64 115.26 112.98 1du2 n ASN 4 Ca -0.24 -2.61 0.03 0.00 -0.03 0.00 0.00 54.58 51.73 1du2 n ASN 4 Cb 0.55 -1.52 -0.03 0.00 -0.61 0.00 0.00 39.78 38.17 1du2 n ASN 4 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 1du2 s LEU 5 N 10.51 -0.35 0.00 3.41 1.98 -1.26 -5.13 118.68 127.84 1du2 s LEU 5 Ca 0.71 0.40 0.00 0.00 -2.89 0.00 0.00 54.13 52.35 1du2 s LEU 5 Cb 0.02 1.37 0.00 0.00 0.66 0.00 0.00 46.19 48.24 1du2 s LEU 5 CO 0.17 -0.07 0.00 0.00 -1.89 0.00 0.00 176.35 174.57 1du2 n ALA 6 N 4.97 0.00 0.15 5.97 0.00 -1.26 -5.02 120.51 125.31 1du2 n ALA 6 Ca -0.08 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.38 1du2 n ALA 6 Cb 0.54 0.00 0.17 0.00 0.00 0.00 0.00 19.45 20.16 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 0.00 0.00 -4.12 0.00 1.57 -2.01 -3.37 116.57 108.65 1du2 h LYS 7 Ca 0.00 0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 58.64 1du2 h LYS 7 Cb 0.00 0.00 0.03 0.00 0.08 0.00 0.00 32.23 32.34 1du2 h LYS 7 CO 0.00 0.54 1.22 -0.11 -0.57 0.00 0.00 179.45 180.53 1du2 n LEU 8 N -3.50 0.66 -2.51 2.94 7.94 -1.26 -3.07 117.00 118.20 1du2 n LEU 8 Ca 0.00 -1.28 -0.02 0.00 -1.11 0.00 0.00 56.01 53.60 1du2 n LEU 8 Cb 0.64 -0.56 0.11 0.00 0.53 0.00 0.00 43.42 44.14 1du2 n LEU 8 CO 0.40 -1.19 0.58 -0.90 -1.11 0.00 0.00 177.39 175.17 1du2 n ASP 9 N 5.61 -1.27 -0.54 1.96 5.68 -1.26 -4.93 116.55 121.80 1du2 n ASP 9 Ca 0.12 -2.05 0.11 0.00 -0.50 0.00 0.00 54.79 52.47 1du2 n ASP 9 Cb 0.09 0.60 0.39 0.00 -1.14 0.00 0.00 41.12 41.06 1du2 n ASP 9 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1du2 n GLN 10 N -1.32 1.72 0.20 0.11 0.00 -1.18 -4.07 117.38 112.85 1du2 n GLN 10 Ca -0.15 -1.08 0.18 0.00 0.00 0.00 0.00 57.00 55.95 1du2 n GLN 10 Cb 0.82 -1.40 0.79 0.00 0.00 0.00 0.00 30.24 30.45 1du2 n GLN 10 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.06 178.21 1du2 h THR 11 N 2.22 0.25 0.00 -0.39 2.02 -1.90 0.82 112.91 115.93 1du2 h THR 11 Ca 0.00 0.00 -0.09 0.00 0.77 0.00 0.00 66.41 67.09 1du2 h THR 11 Cb 0.49 0.68 -0.01 0.00 -1.74 0.00 0.00 68.15 67.57 1du2 h THR 11 CO 0.00 0.00 -0.43 -0.08 0.37 0.00 0.00 175.52 175.38 1du2 h GLU 12 N 0.00 0.00 -0.87 6.66 4.81 -1.92 -2.85 114.58 120.40 1du2 h GLU 12 Ca 0.11 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.32 1du2 h GLU 12 Cb 0.84 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 30.18 1du2 h GLU 12 CO -0.00 0.43 0.46 1.98 -0.73 0.00 0.00 179.01 181.15 1du2 h MET 13 N 0.00 1.23 0.00 1.92 4.05 0.38 1.60 114.93 124.11 1du2 h MET 13 Ca -0.00 -0.16 -0.12 0.00 -0.28 0.00 0.00 59.70 59.14 1du2 h MET 13 Cb 0.96 -0.23 -0.02 0.00 -0.80 0.00 0.00 31.60 31.51 1du2 h MET 13 CO 0.06 0.91 -0.56 0.22 0.23 0.00 0.00 176.91 177.77 1du2 h ASP 14 N 1.23 0.00 0.11 1.39 3.58 -1.57 -3.17 116.42 117.99 1du2 h ASP 14 Ca 0.31 0.00 -0.15 0.00 0.42 0.00 0.00 57.03 57.60 1du2 h ASP 14 Cb 0.06 0.00 0.02 0.00 1.72 0.00 0.00 39.33 41.12 1du2 h ASP 14 CO -0.05 0.56 -0.66 0.11 -2.88 0.00 0.00 179.24 176.33 1du2 h LYS 15 N 0.00 0.26 -0.27 0.28 6.56 -1.09 -2.75 116.57 119.56 1du2 h LYS 15 Ca -0.01 -0.42 0.08 0.00 -1.06 0.00 0.00 60.65 59.24 1du2 h LYS 15 Cb 1.20 0.15 -0.01 0.00 -0.57 0.00 0.00 32.23 33.00 1du2 h LYS 15 CO 0.07 1.19 0.53 -0.24 -2.06 0.00 0.00 179.45 178.94 1du2 h VAL 16 N -0.46 0.15 0.00 0.50 3.04 0.23 0.74 116.25 120.45 1du2 h VAL 16 Ca -0.11 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.58 1du2 h VAL 16 Cb 1.50 0.53 0.00 0.00 -2.01 0.00 0.00 31.29 31.31 1du2 h VAL 16 CO 0.12 0.00 0.00 -3.20 -1.01 0.00 0.00 177.57 173.48 1du2 n ASN 17 N -3.22 0.00 -0.25 3.17 4.05 -1.20 -4.04 115.26 113.78 1du2 n ASN 17 Ca 0.04 0.29 0.32 0.00 0.45 0.00 0.00 54.58 55.68 1du2 n ASN 17 Cb 0.65 -0.40 0.63 0.00 1.23 0.00 0.00 39.78 41.90 1du2 n ASN 17 CO 0.00 0.00 0.00 0.58 -3.05 0.00 0.00 177.26 174.79 1du2 h VAL 18 N 0.00 0.15 -0.79 3.44 2.07 -1.14 -0.51 116.25 119.48 1du2 h VAL 18 Ca 0.00 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.59 1du2 h VAL 18 Cb 0.00 0.22 -0.10 0.00 -1.52 0.00 0.00 31.29 29.90 1du2 h VAL 18 CO 0.00 0.00 -0.47 -0.67 0.02 0.00 0.00 177.57 176.45 1du2 n ASP 19 N -3.62 -0.84 -0.08 0.57 2.03 0.25 -0.56 116.55 114.29 1du2 n ASP 19 Ca 0.24 1.60 -0.13 0.00 0.52 0.00 0.00 54.79 57.02 1du2 n ASP 19 Cb 1.36 -0.28 -0.05 0.00 -0.72 0.00 0.00 41.12 41.43 1du2 n ASP 19 CO 0.00 0.00 0.00 0.17 -1.92 0.00 0.00 177.20 175.45 1du2 h LEU 20 N 0.00 0.60 0.00 -2.67 8.10 -1.29 -3.32 115.31 116.73 1du2 h LEU 20 Ca 0.13 -0.46 0.00 0.00 0.11 0.00 0.00 57.88 57.65 1du2 h LEU 20 Cb 0.32 -0.17 0.00 0.00 -0.44 0.00 0.00 40.66 40.38 1du2 h LEU 20 CO -0.74 0.94 0.00 0.00 -4.11 0.00 0.00 178.44 174.52 1du2 n ALA 21 N -2.46 0.00 -2.45 0.17 0.00 0.27 -4.55 120.51 111.49 1du2 n ALA 21 Ca -0.04 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.17 1du2 n ALA 21 Cb 0.41 0.27 -0.05 0.00 0.00 0.00 0.00 19.45 20.08 1du2 n ALA 21 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1du2 s ALA 22 N -2.96 3.69 0.00 0.00 0.00 -0.20 -5.09 121.76 117.19 1du2 s ALA 22 Ca 0.00 -1.83 0.00 0.00 0.00 0.00 0.00 51.96 50.13 1du2 s ALA 22 Cb 0.00 -0.84 0.00 0.00 0.00 0.00 0.00 23.12 22.28 1du2 s ALA 22 CO 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 175.76 175.72 1du2 n ALA 23 N -1.28 0.00 0.00 0.00 0.00 -1.26 -4.60 120.51 113.36 1du2 n ALA 23 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 1du2 n ALA 23 Cb 0.61 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.06 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 2.93 0.00 0.01 0.00 0.00 -1.26 -4.13 105.19 102.74 1du2 n GLY 24 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.01 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 0.00 0.09 -0.31 1.61 0.31 -1.26 -4.24 118.33 114.53 1du2 n VAL 25 Ca 0.00 -0.04 0.03 0.00 -0.01 0.00 0.00 64.34 64.32 1du2 n VAL 25 Cb 0.00 -0.67 0.08 0.00 -0.91 0.00 0.00 33.84 32.34 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 -2.40 0.08 -3.07 3.52 0.00 -1.26 -1.73 120.51 115.65 1du2 n ALA 26 Ca -0.03 0.89 -0.22 0.00 0.00 0.00 0.00 53.44 54.09 1du2 n ALA 26 Cb 0.53 -0.48 -0.03 0.00 0.00 0.00 0.00 19.45 19.47 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 -5.32 1.82 -2.25 0.00 -1.74 -1.26 -3.60 117.46 105.12 1du2 n PHE 27 Ca 0.12 -3.86 0.02 0.00 -0.56 0.00 0.00 57.45 53.17 1du2 n PHE 27 Cb 0.39 -0.44 0.01 0.00 1.52 0.00 0.00 39.48 40.96 1du2 n PHE 27 CO 0.00 0.00 0.00 1.17 -0.56 0.00 0.00 176.76 177.37 1du2 n LYS 28 N 0.05 0.01 -0.03 3.97 3.00 -0.71 -4.78 118.16 119.67 1du2 n LYS 28 Ca 0.27 -1.51 0.12 0.00 -0.00 0.00 0.00 58.31 57.20 1du2 n LYS 28 Cb 0.55 -0.26 0.26 0.00 0.00 0.00 0.00 35.03 35.59 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 0.24 2.11 0.24 1.64 -0.00 -1.26 -4.16 120.64 119.45 1du2 n GLU 29 Ca 0.03 -1.62 0.15 0.00 -0.00 0.00 0.00 57.16 55.72 1du2 n GLU 29 Cb 0.92 -1.47 0.83 0.00 -0.00 0.00 0.00 31.44 31.72 1du2 n GLU 29 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 177.13 177.20 1du2 h ARG 30 N 3.79 0.00 -0.66 3.44 0.11 -1.95 0.25 114.38 119.37 1du2 h ARG 30 Ca 0.00 0.00 -0.08 0.00 0.10 0.00 0.00 59.98 60.00 1du2 h ARG 30 Cb 0.81 0.00 -0.05 0.00 1.11 0.00 0.00 29.97 31.84 1du2 h ARG 30 CO 0.00 0.00 0.11 2.48 0.10 0.00 0.00 179.97 182.66 1du2 n TYR 31 N -3.98 2.23 -2.89 4.08 0.18 -1.26 -4.92 117.16 110.60 1du2 n TYR 31 Ca -0.01 -0.90 -0.09 0.00 1.88 0.00 0.00 57.90 58.78 1du2 n TYR 31 Cb 0.20 -0.58 0.04 0.00 -0.38 0.00 0.00 39.34 38.62 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 0.33 -6.04 -4.73 9.48 2.85 0.87 -4.96 115.26 113.06 1du2 n ASN 32 Ca 0.33 -0.45 -0.41 0.00 -0.11 0.00 0.00 54.58 53.93 1du2 n ASN 32 Cb 1.27 -4.40 -0.04 0.00 1.24 0.00 0.00 39.78 37.85 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 -3.85 4.66 0.97 1.20 0.23 -1.23 -5.04 119.30 116.22 1du2 s MET 33 Ca 0.28 1.52 -0.14 0.00 -1.03 0.00 0.00 55.69 56.32 1du2 s MET 33 Cb -0.04 -3.36 0.17 0.00 -1.53 0.00 0.00 34.83 30.08 1du2 s MET 33 CO 0.61 0.15 1.17 -1.25 -2.03 0.00 0.00 175.02 173.66 1du2 s PRO 34 N 0.03 0.67 -0.36 3.16 0.04 -1.26 -4.84 135.00 132.44 1du2 s PRO 34 Ca 0.48 0.11 -0.04 0.00 0.04 0.00 0.00 61.00 61.59 1du2 s PRO 34 Cb -0.25 -1.80 -0.10 0.00 0.04 0.00 0.00 34.50 32.39 1du2 s PRO 34 CO 0.31 -2.48 2.09 0.28 0.04 0.00 0.00 177.00 177.23 1du2 n VAL 35 N -3.93 1.86 -3.91 -0.36 0.31 -1.26 -4.70 118.33 106.33 1du2 n VAL 35 Ca 0.09 -1.02 -0.09 0.00 -0.01 0.00 0.00 64.34 63.31 1du2 n VAL 35 Cb 0.59 -1.90 -0.08 0.00 -0.91 0.00 0.00 33.84 31.54 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 2.62 0.15 -0.20 2.52 1.01 -1.26 -5.06 121.20 120.99 1du2 s ILE 36 Ca 0.36 -1.26 -0.00 0.00 0.00 0.00 0.00 60.65 59.75 1du2 s ILE 36 Cb 0.14 -1.25 -0.21 0.00 0.01 0.00 0.00 42.46 41.14 1du2 s ILE 36 CO -0.01 -0.69 0.05 0.00 0.00 0.00 0.00 174.94 174.28 1du2 n ALA 37 N 0.20 1.23 -0.04 9.38 0.00 -1.26 -4.09 120.51 125.93 1du2 n ALA 37 Ca -0.16 -0.91 -0.10 0.00 0.00 0.00 0.00 53.44 52.27 1du2 n ALA 37 Cb 0.61 -0.35 -0.04 0.00 0.00 0.00 0.00 19.45 19.67 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 0.03 0.25 -0.23 0.00 4.81 -1.97 -0.89 114.58 116.58 1du2 h GLU 38 Ca -0.51 -0.03 0.07 0.00 -0.13 0.00 0.00 59.36 58.76 1du2 h GLU 38 Cb 1.97 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 31.29 1du2 h GLU 38 CO -0.01 0.23 0.29 0.00 -0.73 0.00 0.00 179.01 178.79 1du2 h ALA 39 N 1.01 1.83 -0.01 2.92 0.00 -1.94 1.52 119.26 124.59 1du2 h ALA 39 Ca 0.07 -0.01 -0.19 0.00 0.00 0.00 0.00 54.91 54.78 1du2 h ALA 39 Cb 0.05 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1du2 h ALA 39 CO -0.01 -0.41 -0.83 0.28 0.00 0.00 0.00 179.25 178.28 1du2 h VAL 40 N 0.00 1.49 0.10 0.00 2.07 -1.32 -2.41 116.25 116.17 1du2 h VAL 40 Ca 0.11 -2.54 -0.33 0.00 0.82 0.00 0.00 66.70 64.76 1du2 h VAL 40 Cb 0.68 2.40 -0.02 0.00 -1.52 0.00 0.00 31.29 32.83 1du2 h VAL 40 CO -0.00 0.74 -1.78 -0.33 0.02 0.00 0.00 177.57 176.22 1du2 h GLU 41 N 0.10 0.20 0.00 1.57 5.08 0.88 -2.13 114.58 120.28 1du2 h GLU 41 Ca -0.03 -0.35 -0.03 0.00 -1.00 0.00 0.00 59.36 57.95 1du2 h GLU 41 Cb 1.44 0.13 -0.00 0.00 0.50 0.00 0.00 28.75 30.81 1du2 h GLU 41 CO 0.12 1.01 -0.15 0.07 -1.00 0.00 0.00 179.01 179.06 1du2 h ARG 42 N 0.06 0.00 0.00 2.33 0.11 0.17 -3.36 114.38 113.69 1du2 h ARG 42 Ca -0.33 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.75 1du2 h ARG 42 Cb 2.03 0.00 0.00 0.00 1.11 0.00 0.00 29.97 33.11 1du2 h ARG 42 CO 0.11 0.15 0.00 0.39 0.10 0.00 0.00 179.97 180.73 1du2 n GLU 43 N -4.31 0.00 -3.19 0.08 -0.58 -0.91 -5.01 120.64 106.72 1du2 n GLU 43 Ca -0.03 0.00 0.02 0.00 -0.42 0.00 0.00 57.16 56.73 1du2 n GLU 43 Cb 0.22 -0.26 -0.01 0.00 -0.57 0.00 0.00 31.44 30.83 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 0.00 0.70 0.08 3.49 -0.44 -1.08 -5.09 119.66 117.32 1du2 s GLN 44 Ca 0.00 0.09 -0.30 0.00 -2.50 0.00 0.00 55.36 52.65 1du2 s GLN 44 Cb 0.00 0.15 -0.06 0.00 -1.64 0.00 0.00 33.01 31.46 1du2 s GLN 44 CO 0.00 -1.13 1.16 -1.25 0.50 0.00 0.00 175.29 174.57 1du2 s PRO 45 N 2.28 4.48 0.23 1.67 0.04 -0.82 -4.85 135.00 138.03 1du2 s PRO 45 Ca 0.13 1.73 -0.07 0.00 0.04 0.00 0.00 61.00 62.83 1du2 s PRO 45 Cb -0.07 -3.34 0.21 0.00 0.04 0.00 0.00 34.50 31.34 1du2 s PRO 45 CO -0.16 -0.16 1.84 1.05 0.04 0.00 0.00 177.00 179.61 1du2 h GLU 46 N 6.41 1.25 0.00 4.56 -0.00 -1.86 0.09 114.58 125.03 1du2 h GLU 46 Ca -0.42 -0.16 0.00 0.00 -0.00 0.00 0.00 59.36 58.78 1du2 h GLU 46 Cb 1.21 -0.24 0.00 0.00 -0.00 0.00 0.00 28.75 29.73 1du2 h GLU 46 CO 0.78 0.93 0.01 1.12 -0.00 0.00 0.00 179.01 181.86 1du2 h HIS 47 N 1.25 0.00 0.03 2.06 2.07 -1.90 -1.02 115.15 117.65 1du2 h HIS 47 Ca 0.31 0.00 -0.22 0.00 -2.85 0.00 0.00 60.37 57.61 1du2 h HIS 47 Cb 0.06 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 30.02 1du2 h HIS 47 CO 0.01 0.00 -1.17 -0.07 -3.07 0.00 0.00 177.93 173.63 1du2 h LEU 48 N 0.00 0.11 -1.31 6.12 -0.00 -1.31 -2.20 115.31 116.72 1du2 h LEU 48 Ca 0.00 -0.68 0.20 0.00 -0.00 0.00 0.00 57.88 57.40 1du2 h LEU 48 Cb 0.02 -0.03 -0.08 0.00 -0.00 0.00 0.00 40.66 40.57 1du2 h LEU 48 CO 0.00 1.48 0.61 0.08 -0.00 0.00 0.00 178.44 180.61 1du2 h ARG 49 N -0.78 0.53 0.09 1.13 0.11 -0.75 1.17 114.38 115.89 1du2 h ARG 49 Ca -0.30 -0.03 -0.29 0.00 0.10 0.00 0.00 59.98 59.46 1du2 h ARG 49 Cb 1.41 -0.12 -0.01 0.00 1.11 0.00 0.00 29.97 32.36 1du2 h ARG 49 CO -0.11 0.35 -1.46 0.77 0.10 0.00 0.00 179.97 179.63 1du2 h SER 50 N 0.55 0.30 0.67 0.08 0.02 -1.55 -0.42 113.55 113.21 1du2 h SER 50 Ca 0.52 -0.41 0.00 0.00 -0.84 0.00 0.00 61.79 61.06 1du2 h SER 50 Cb 1.09 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 63.53 1du2 h SER 50 CO -0.26 1.34 0.00 0.79 -1.14 0.00 0.00 176.83 177.56 1du2 n TRP 51 N -3.41 0.00 -0.10 3.45 5.03 0.31 0.16 117.44 122.88 1du2 n TRP 51 Ca -0.14 0.00 -0.13 0.00 3.03 0.00 0.00 57.50 60.26 1du2 n TRP 51 Cb 1.03 -0.49 -0.10 0.00 -1.03 0.00 0.00 31.31 30.71 1du2 n TRP 51 CO 0.00 0.00 0.00 1.19 -0.03 0.00 0.00 177.69 178.85 1du2 n PHE 52 N -1.49 0.00 0.99 -5.99 3.01 0.38 -4.45 117.46 109.91 1du2 n PHE 52 Ca 0.05 0.00 0.12 0.00 1.01 0.00 0.00 57.45 58.63 1du2 n PHE 52 Cb 0.23 -0.80 0.21 0.00 -0.01 0.00 0.00 39.48 39.11 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 -3.02 2.21 -0.49 -1.08 0.63 -0.17 -4.45 116.66 110.30 1du2 n ARG 53 Ca -0.35 -1.77 0.39 0.00 -0.92 0.00 0.00 57.85 55.19 1du2 n ARG 53 Cb 0.92 -1.47 0.62 0.00 0.45 0.00 0.00 32.46 32.98 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 1.11 -0.02 -0.27 -0.14 0.28 0.42 0.90 120.64 122.94 1du2 n GLU 54 Ca 0.16 0.97 -0.01 0.00 -0.16 0.00 0.00 57.16 58.11 1du2 n GLU 54 Cb 0.54 -2.05 0.05 0.00 1.43 0.00 0.00 31.44 31.42 1du2 n GLU 54 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 177.13 176.88 1du2 h ARG 55 N 0.00 -0.06 -0.72 3.44 2.43 -1.82 -3.37 114.38 114.28 1du2 h ARG 55 Ca 0.75 0.00 -0.11 0.00 -0.81 0.00 0.00 59.98 59.82 1du2 h ARG 55 Cb 2.73 0.01 -0.16 0.00 -0.42 0.00 0.00 29.97 32.13 1du2 h ARG 55 CO -0.20 -0.04 -0.39 -0.11 -1.51 0.00 0.00 179.97 177.72 1du2 n LEU 56 N -5.48 -2.88 -0.13 3.80 0.00 0.26 -5.02 117.00 107.55 1du2 n LEU 56 Ca 0.08 -2.41 -0.26 0.00 0.00 0.00 0.00 56.01 53.42 1du2 n LEU 56 Cb 0.39 0.71 -0.10 0.00 0.00 0.00 0.00 43.42 44.41 1du2 n LEU 56 CO -0.03 1.74 -1.14 0.00 0.00 0.00 0.00 177.39 177.96 1du2 n ILE 57 N 2.75 1.53 -2.19 1.96 3.06 -0.95 -5.03 119.36 120.49 1du2 n ILE 57 Ca 0.15 -0.25 0.00 0.00 -2.50 0.00 0.00 62.75 60.15 1du2 n ILE 57 Cb 0.59 -1.95 0.00 0.00 0.54 0.00 0.00 39.64 38.82 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 -4.00 0.00 -3.62 1.51 0.00 -1.26 -4.82 120.51 108.32 1du2 n ALA 58 Ca -0.46 0.00 -0.26 0.00 0.00 0.00 0.00 53.44 52.72 1du2 n ALA 58 Cb 0.81 0.00 0.05 0.00 0.00 0.00 0.00 19.45 20.31 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 -0.49 -2.52 0.00 0.00 -0.00 -1.26 -4.67 115.22 106.27 1du2 n HIS 59 Ca 0.00 0.89 0.00 0.00 -0.00 0.00 0.00 57.72 58.61 1du2 n HIS 59 Cb 0.00 -4.51 0.00 0.00 -0.00 0.00 0.00 29.99 25.48 1du2 n HIS 59 CO 0.00 0.00 0.00 2.89 -0.00 0.00 0.00 176.34 179.23 1du2 n ARG 60 N -4.72 0.00 -1.06 -0.41 0.00 -1.26 -4.58 116.66 104.63 1du2 n ARG 60 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 1du2 n ARG 60 Cb 0.56 0.00 0.00 0.00 -0.00 0.00 0.00 32.46 33.02 1du2 n ARG 60 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.63 177.52 1du2 n LEU 61 N 0.00 0.00 0.00 2.89 7.94 -1.26 -5.13 117.00 121.44 1du2 n LEU 61 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 1du2 n LEU 61 Cb 0.00 0.00 0.00 0.00 0.53 0.00 0.00 43.42 43.95 1du2 n LEU 61 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.39 176.28 1du2 n ALA 62 N -3.00 0.00 0.00 1.96 0.00 -1.26 -5.14 120.51 113.07 1du2 n ALA 62 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1du2 n ALA 62 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 0.00 0.00 0.00 0.00 2.88 -1.26 -5.14 113.62 110.10 1du2 n SER 63 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1du2 n SER 63 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 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 0.00 0.00 -0.38 2.46 0.31 -1.26 -4.95 118.33 114.51 1du2 n VAL 64 Ca 0.00 0.00 -0.07 0.00 -0.01 0.00 0.00 64.34 64.26 1du2 n VAL 64 Cb 0.00 0.00 -0.04 0.00 -0.91 0.00 0.00 33.84 32.89 1du2 n VAL 64 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 1du2 h ASN 65 N 0.00 -1.83 0.00 4.52 -1.07 -1.94 -3.44 115.58 111.82 1du2 h ASN 65 Ca 0.00 0.31 0.00 0.00 0.07 0.00 0.00 56.30 56.68 1du2 h ASN 65 Cb 0.00 0.85 0.00 0.00 -2.07 0.00 0.00 38.32 37.10 1du2 h ASN 65 CO 0.00 -0.27 0.00 -0.11 0.07 0.00 0.00 177.43 177.12 1du2 n LEU 66 N -5.35 0.00 0.00 6.14 7.94 -1.26 -4.89 117.00 119.57 1du2 n LEU 66 Ca 0.05 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.95 1du2 n LEU 66 Cb 0.32 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.27 1du2 n LEU 66 CO -0.13 0.00 0.00 -1.20 -1.11 0.00 0.00 177.39 174.95 1du2 n SER 67 N 2.59 0.00 0.00 1.96 7.64 -1.26 -4.63 113.62 119.92 1du2 n SER 67 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1du2 n SER 67 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1du2 n SER 67 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 1du2 n ARG 68 N 0.00 0.00 -4.35 1.43 0.63 -1.26 -5.16 116.66 107.95 1du2 n ARG 68 Ca 0.00 0.00 -0.33 0.00 -0.92 0.00 0.00 57.85 56.60 1du2 n ARG 68 Cb 0.00 0.00 -0.09 0.00 0.45 0.00 0.00 32.46 32.82 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 0.00 3.46 -0.13 6.15 2.34 -1.26 -5.08 118.68 124.16 1du2 s LEU 69 Ca 0.00 0.01 -0.29 0.00 0.06 0.00 0.00 54.13 53.90 1du2 s LEU 69 Cb 0.00 -1.93 -0.02 0.00 -0.56 0.00 0.00 46.19 43.68 1du2 s LEU 69 CO 0.00 0.31 1.25 -2.16 -1.06 0.00 0.00 176.35 174.69 1du2 s PRO 70 N -1.35 4.27 -0.13 1.48 0.04 -1.26 -5.01 135.00 133.03 1du2 s PRO 70 Ca 0.17 1.68 0.01 0.00 0.04 0.00 0.00 61.00 62.91 1du2 s PRO 70 Cb -0.11 -3.70 0.02 0.00 0.04 0.00 0.00 34.50 30.74 1du2 s PRO 70 CO 0.08 -0.63 -0.16 1.52 0.04 0.00 0.00 177.00 177.85 1du2 s TYR 71 N 3.12 2.13 -0.32 0.56 1.13 -1.26 -5.09 117.35 117.61 1du2 s TYR 71 Ca 0.55 -1.08 0.02 0.00 -1.41 0.00 0.00 57.07 55.16 1du2 s TYR 71 Cb -0.23 -1.53 0.09 0.00 -1.10 0.00 0.00 41.96 39.19 1du2 s TYR 71 CO 0.17 -0.56 0.04 -2.00 -2.51 0.00 0.00 175.55 170.70 1du2 s GLU 72 N 1.12 1.32 0.46 -3.49 2.12 -1.26 -5.11 118.70 113.86 1du2 s GLU 72 Ca -0.03 -1.53 -0.21 0.00 0.36 0.00 0.00 54.97 53.56 1du2 s GLU 72 Cb -0.14 -2.78 -0.09 0.00 0.26 0.00 0.00 34.13 31.38 1du2 s GLU 72 CO -0.04 -0.90 1.04 -1.25 -0.54 0.00 0.00 175.26 173.57 1du2 s PRO 73 N 1.17 3.89 0.00 4.30 0.04 -1.26 -5.02 135.00 138.11 1du2 s PRO 73 Ca 0.08 1.41 0.00 0.00 0.04 0.00 0.00 61.00 62.52 1du2 s PRO 73 Cb -0.19 -2.21 0.00 0.00 0.04 0.00 0.00 34.50 32.14 1du2 s PRO 73 CO -0.12 -0.36 0.00 0.36 0.04 0.00 0.00 177.00 176.91 1du2 n LYS 74 N -0.73 0.00 0.00 4.56 -0.00 -1.26 -5.16 118.16 115.56 1du2 n LYS 74 Ca 0.08 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.39 1du2 n LYS 74 Cb 0.52 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.55 1du2 n LYS 74 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.40 177.29 1du2 n LEU 75 N 0.00 0.00 0.00 -5.58 0.00 -1.26 -5.34 117.00 104.82 1du2 n LEU 75 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56.01 56.01 1du2 n LEU 75 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.42 1du2 n LEU 75 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.39 178.56